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 2pmf_1_A DATA FIRST_RESID 63 DATA SEQUENCE DIVDRAKMED TLKRRFFYDQ AFAIYGGVSG LYDFGPVGCA LKNNIIQTWR DATA SEQUENCE QHFIQEEQIL EIDCTMLTPE PVLKTSGHVD KFADFMVKDV KNGECFRADH DATA SEQUENCE LLKAHLQKLM SDKKCSVEKK SEMESVLAQL DNYGQQELAD LFVNYNVKSP DATA SEQUENCE ITGNDLSPPV SFNLMFKTFI GPGGNMPGYL RPETAQGIFL NFKRLLEFNQ DATA SEQUENCE GKLPFAAAQI GNSFRNEISP RSGLIRVREF TMAEIEHFVD PSEKDHPKFQ DATA SEQUENCE NVADLHLYLY SAKAQVSGQS ARKMRLGDAV EQGVINNTVL GYFIGRIYLY DATA SEQUENCE LTKVGISPDK LRFRQHMENX XXXXACDCWD AESKTSYGWI EIVGCADRSC DATA SEQUENCE YDLSCHARXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXRFQKTLY DATA SEQUENCE VEEVVPNVIE PSFRLGRIMY TVFEHTFHVR EGDEQRTFFS FPAVVAPFKC DATA SEQUENCE SVLPLSQNQE FMPFVKELSE ALTRHGVSHK VDDSSGSIGR RYARTDEIGV DATA SEQUENCE AFGVTIDFDT VNKTPHTATL RDRDSMRQIR AEISELPSIV QDLANGNITW DATA SEQUENCE ADVEARYPLF EG 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 63 D HA 0.000 nan 4.640 nan 0.000 0.175 63 D C 0.000 176.256 176.300 -0.074 0.000 2.045 63 D CA 0.000 53.967 54.000 -0.055 0.000 0.868 63 D CB 0.000 40.770 40.800 -0.049 0.000 0.688 64 I N -0.625 119.899 120.570 -0.076 0.000 5.336 64 I HA 0.800 4.931 4.170 -0.065 0.000 0.226 64 I C 1.320 177.401 176.117 -0.061 0.000 0.934 64 I CA 1.173 62.420 61.300 -0.088 0.000 1.596 64 I CB -0.308 37.636 38.000 -0.092 0.000 1.414 64 I HN 1.432 nan 8.210 nan 0.000 0.450 65 V N 0.063 119.947 119.914 -0.050 0.000 3.048 65 V HA 0.504 4.585 4.120 -0.065 0.000 0.303 65 V C -1.633 174.441 176.094 -0.033 0.000 1.214 65 V CA -0.474 61.813 62.300 -0.020 0.000 0.984 65 V CB 1.769 33.584 31.823 -0.013 0.000 1.054 65 V HN 0.797 nan 8.190 nan 0.000 0.430 66 D N 3.955 124.357 120.400 0.004 0.000 2.541 66 D HA 0.084 4.685 4.640 -0.065 0.000 0.231 66 D C 1.487 177.724 176.300 -0.105 0.000 1.163 66 D CA 0.325 54.313 54.000 -0.019 0.000 1.077 66 D CB 0.360 41.184 40.800 0.040 0.000 1.110 66 D HN 0.666 nan 8.370 nan 0.000 0.499 67 R N 2.061 122.489 120.500 -0.120 0.000 2.152 67 R HA -0.089 4.212 4.340 -0.065 0.000 0.232 67 R C 1.718 177.932 176.300 -0.145 0.000 1.117 67 R CA 1.422 57.430 56.100 -0.154 0.000 0.981 67 R CB -0.202 30.047 30.300 -0.086 0.000 0.870 67 R HN 0.175 nan 8.270 nan 0.000 0.451 68 A N 1.364 124.124 122.820 -0.100 0.000 1.933 68 A HA -0.139 4.142 4.320 -0.065 0.000 0.218 68 A C 1.998 179.524 177.584 -0.098 0.000 1.175 68 A CA 1.603 53.596 52.037 -0.074 0.000 0.628 68 A CB -0.380 18.593 19.000 -0.045 0.000 0.814 68 A HN 0.410 nan 8.150 nan 0.000 0.444 69 K N -1.303 119.027 120.400 -0.117 0.000 2.031 69 K HA -0.042 4.239 4.320 -0.065 0.000 0.205 69 K C 2.220 178.633 176.600 -0.312 0.000 1.049 69 K CA 1.366 57.586 56.287 -0.112 0.000 0.939 69 K CB -0.262 32.255 32.500 0.028 0.000 0.717 69 K HN 0.578 nan 8.250 nan 0.000 0.438 70 M N 1.342 120.524 119.600 -0.695 0.000 2.065 70 M HA -0.258 4.183 4.480 -0.065 0.000 0.259 70 M C 1.669 177.692 176.300 -0.461 0.000 1.069 70 M CA 1.841 56.492 55.300 -1.080 0.000 1.110 70 M CB -0.090 31.841 32.600 -1.114 0.000 1.328 70 M HN 0.128 nan 8.290 nan 0.000 0.405 71 E N -0.015 120.024 120.200 -0.269 0.000 2.118 71 E HA -0.270 4.041 4.350 -0.065 0.000 0.195 71 E C 1.604 178.117 176.600 -0.145 0.000 0.992 71 E CA 1.683 57.990 56.400 -0.155 0.000 0.804 71 E CB -0.236 29.431 29.700 -0.055 0.000 0.741 71 E HN 0.607 nan 8.360 nan 0.000 0.458 72 D N -0.145 120.185 120.400 -0.116 0.000 2.117 72 D HA -0.136 4.465 4.640 -0.065 0.000 0.197 72 D C 1.815 178.092 176.300 -0.037 0.000 0.987 72 D CA 1.661 55.623 54.000 -0.063 0.000 0.829 72 D CB -0.027 40.749 40.800 -0.039 0.000 0.961 72 D HN -0.013 nan 8.370 nan 0.000 0.460 73 T N -0.028 114.500 114.554 -0.044 0.000 2.821 73 T HA -0.042 4.269 4.350 -0.065 0.000 0.267 73 T C 2.023 176.777 174.700 0.090 0.000 1.046 73 T CA 0.685 62.818 62.100 0.056 0.000 1.139 73 T CB -0.229 68.700 68.868 0.101 0.000 0.871 73 T HN 0.154 nan 8.240 nan 0.000 0.454 74 L N 0.524 121.698 121.223 -0.081 0.000 2.141 74 L HA -0.040 4.261 4.340 -0.065 0.000 0.209 74 L C 2.641 179.460 176.870 -0.084 0.000 1.094 74 L CA 1.249 55.972 54.840 -0.195 0.000 0.763 74 L CB -0.342 41.380 42.059 -0.562 0.000 0.908 74 L HN 0.190 nan 8.230 nan 0.000 0.437 75 K N 0.241 120.579 120.400 -0.103 0.000 2.098 75 K HA -0.148 4.133 4.320 -0.065 0.000 0.203 75 K C 2.340 178.971 176.600 0.051 0.000 1.051 75 K CA 0.694 56.954 56.287 -0.046 0.000 0.957 75 K CB 0.119 32.577 32.500 -0.071 0.000 0.738 75 K HN 0.043 nan 8.250 nan 0.000 0.447 76 R N 0.171 120.704 120.500 0.056 0.000 2.081 76 R HA -0.033 4.268 4.340 -0.065 0.000 0.235 76 R C 1.741 178.120 176.300 0.131 0.000 1.131 76 R CA 1.218 57.361 56.100 0.072 0.000 0.960 76 R CB 0.121 30.460 30.300 0.066 0.000 0.856 76 R HN -0.005 nan 8.270 nan 0.000 0.436 77 R N -0.215 120.409 120.500 0.207 0.000 2.297 77 R HA 0.025 4.326 4.340 -0.065 0.000 0.197 77 R C 0.127 176.571 176.300 0.241 0.000 0.943 77 R CA 0.154 56.391 56.100 0.229 0.000 1.038 77 R CB -0.828 29.669 30.300 0.328 0.000 0.957 77 R HN 0.419 nan 8.270 nan 0.000 0.484 78 F N -0.089 119.892 119.950 0.053 0.000 2.985 78 F HA -0.336 4.154 4.527 -0.061 0.000 0.303 78 F C -0.053 175.755 175.800 0.014 0.000 0.976 78 F CA -0.641 57.365 58.000 0.011 0.000 1.013 78 F CB -1.280 37.718 39.000 -0.003 0.000 1.060 78 F HN 0.007 nan 8.300 nan 0.000 0.780 79 F N 0.641 120.573 119.950 -0.030 0.000 2.084 79 F HA -0.051 4.435 4.527 -0.068 0.000 0.296 79 F C 1.189 177.019 175.800 0.051 0.000 1.111 79 F CA 2.295 60.281 58.000 -0.023 0.000 1.224 79 F CB -0.159 38.788 39.000 -0.087 0.000 0.991 79 F HN 0.309 nan 8.300 nan 0.000 0.471 80 Y N -3.078 117.283 120.300 0.102 0.000 2.609 80 Y HA 0.649 5.161 4.550 -0.063 0.000 0.336 80 Y C -1.548 174.425 175.900 0.121 0.000 1.129 80 Y CA -1.875 56.158 58.100 -0.112 0.000 1.040 80 Y CB 1.183 39.319 38.460 -0.540 0.000 1.310 80 Y HN -0.232 nan 8.280 nan 0.000 0.460 81 D N 0.204 120.772 120.400 0.281 0.000 2.639 81 D HA 0.129 4.729 4.640 -0.065 0.000 0.271 81 D C -1.669 174.821 176.300 0.317 0.000 1.254 81 D CA -0.674 53.485 54.000 0.264 0.000 0.810 81 D CB 2.527 43.460 40.800 0.221 0.000 1.351 81 D HN 0.815 nan 8.370 nan 0.000 0.427 82 Q N 0.686 120.607 119.800 0.201 0.000 2.274 82 Q HA 0.409 4.710 4.340 -0.065 0.000 0.280 82 Q C -0.718 175.240 176.000 -0.069 0.000 1.047 82 Q CA -0.265 55.528 55.803 -0.016 0.000 0.907 82 Q CB 0.586 29.314 28.738 -0.017 0.000 1.171 82 Q HN 0.418 nan 8.270 nan 0.000 0.381 83 A N 4.285 126.994 122.820 -0.184 0.000 2.440 83 A HA 0.268 4.549 4.320 -0.065 0.000 0.251 83 A C -0.322 177.169 177.584 -0.155 0.000 1.089 83 A CA -0.191 51.661 52.037 -0.309 0.000 0.779 83 A CB -0.388 18.377 19.000 -0.392 0.000 1.022 83 A HN 0.969 nan 8.150 nan 0.000 0.492 84 F N -0.336 119.628 119.950 0.025 0.000 3.071 84 F HA -0.316 4.170 4.527 -0.068 0.000 0.295 84 F C 1.638 177.510 175.800 0.119 0.000 0.919 84 F CA 0.437 58.477 58.000 0.067 0.000 1.050 84 F CB -1.908 37.077 39.000 -0.025 0.000 1.040 84 F HN 0.751 nan 8.300 nan 0.000 0.692 85 A N 0.988 123.903 122.820 0.158 0.000 1.908 85 A HA -0.125 4.156 4.320 -0.065 0.000 0.218 85 A C 1.892 179.548 177.584 0.120 0.000 1.181 85 A CA 1.654 53.754 52.037 0.106 0.000 0.627 85 A CB -0.617 18.403 19.000 0.034 0.000 0.818 85 A HN 0.807 nan 8.150 nan 0.000 0.445 86 I N -5.158 115.498 120.570 0.143 0.000 3.620 86 I HA 0.121 4.252 4.170 -0.065 0.000 0.305 86 I C 0.678 176.761 176.117 -0.057 0.000 1.243 86 I CA 0.776 62.100 61.300 0.039 0.000 1.196 86 I CB -0.415 37.587 38.000 0.003 0.000 1.004 86 I HN 0.259 nan 8.210 nan 0.000 0.487 87 Y N 0.895 121.236 120.300 0.069 0.000 2.672 87 Y HA 0.413 4.926 4.550 -0.062 0.000 0.252 87 Y C 1.701 177.621 175.900 0.034 0.000 1.132 87 Y CA 0.244 58.376 58.100 0.053 0.000 1.228 87 Y CB 1.392 39.894 38.460 0.070 0.000 1.310 87 Y HN 0.324 nan 8.280 nan 0.000 0.549 88 G N -0.256 108.631 108.800 0.144 0.000 2.254 88 G HA2 0.022 3.943 3.960 -0.065 0.000 0.225 88 G HA3 0.022 3.943 3.960 -0.065 0.000 0.225 88 G C 0.642 175.600 174.900 0.096 0.000 1.003 88 G CA -0.061 45.093 45.100 0.091 0.000 0.622 88 G HN 1.160 nan 8.290 nan 0.000 0.507 89 G N -1.943 106.948 108.800 0.152 0.000 2.733 89 G HA2 0.300 4.221 3.960 -0.065 0.000 0.686 89 G HA3 0.300 4.221 3.960 -0.065 0.000 0.686 89 G C -0.474 174.486 174.900 0.100 0.000 1.373 89 G CA 0.049 45.230 45.100 0.134 0.000 0.838 89 G HN 1.561 nan 8.290 nan 0.000 0.588 90 V N 1.236 121.214 119.914 0.107 0.000 2.495 90 V HA 0.636 4.717 4.120 -0.065 0.000 0.298 90 V C 0.771 176.858 176.094 -0.012 0.000 1.031 90 V CA -0.380 61.958 62.300 0.064 0.000 0.871 90 V CB 1.862 33.757 31.823 0.120 0.000 0.988 90 V HN 1.088 nan 8.190 nan 0.000 0.432 91 S N 2.902 118.600 115.700 -0.004 0.000 2.549 91 S HA 0.450 4.881 4.470 -0.065 0.000 0.283 91 S C 1.223 175.829 174.600 0.010 0.000 1.320 91 S CA 0.604 58.793 58.200 -0.018 0.000 1.058 91 S CB 0.844 64.050 63.200 0.011 0.000 0.882 91 S HN 1.670 nan 8.310 nan 0.000 0.498 92 G N 1.912 110.711 108.800 -0.002 0.000 2.159 92 G HA2 -0.214 3.707 3.960 -0.065 0.000 0.256 92 G HA3 -0.214 3.707 3.960 -0.065 0.000 0.256 92 G C -0.196 174.768 174.900 0.105 0.000 0.977 92 G CA -0.138 45.031 45.100 0.116 0.000 0.652 92 G HN 0.577 nan 8.290 nan 0.000 0.531 93 L N -0.401 120.749 121.223 -0.122 0.000 2.381 93 L HA 0.741 5.042 4.340 -0.065 0.000 0.274 93 L C -0.563 176.082 176.870 -0.376 0.000 0.988 93 L CA -1.206 53.594 54.840 -0.067 0.000 0.824 93 L CB 1.692 43.791 42.059 0.067 0.000 1.263 93 L HN 0.097 nan 8.230 nan 0.000 0.410 94 Y N 0.393 120.696 120.300 0.006 0.000 2.524 94 Y HA 0.416 4.923 4.550 -0.072 0.000 0.347 94 Y C -0.571 175.254 175.900 -0.125 0.000 1.005 94 Y CA -1.047 57.007 58.100 -0.077 0.000 1.025 94 Y CB 2.162 40.525 38.460 -0.162 0.000 1.275 94 Y HN 0.434 nan 8.280 nan 0.000 0.460 95 D N 1.818 122.240 120.400 0.038 0.000 2.192 95 D HA 0.327 4.928 4.640 -0.065 0.000 0.246 95 D C -1.183 175.093 176.300 -0.040 0.000 1.042 95 D CA -0.257 53.769 54.000 0.042 0.000 0.847 95 D CB 1.269 42.117 40.800 0.080 0.000 1.186 95 D HN 0.214 nan 8.370 nan 0.000 0.461 96 F N 0.845 120.828 119.950 0.055 0.000 2.410 96 F HA 0.430 4.921 4.527 -0.060 0.000 0.349 96 F C 1.417 177.007 175.800 -0.350 0.000 1.117 96 F CA -0.523 57.448 58.000 -0.050 0.000 1.104 96 F CB 1.413 40.408 39.000 -0.009 0.000 1.122 96 F HN 0.220 nan 8.300 nan 0.000 0.483 97 G N 3.369 111.745 108.800 -0.707 0.000 2.621 97 G HA2 0.260 4.181 3.960 -0.065 0.000 0.271 97 G HA3 0.260 4.181 3.960 -0.065 0.000 0.271 97 G C -1.881 172.737 174.900 -0.470 0.000 1.236 97 G CA -1.218 43.113 45.100 -1.283 0.000 0.958 97 G HN 0.395 nan 8.290 nan 0.000 0.512 98 P HA -0.146 nan 4.420 nan 0.000 0.216 98 P C 2.041 179.254 177.300 -0.146 0.000 1.157 98 P CA 0.958 63.976 63.100 -0.137 0.000 0.880 98 P CB 0.042 31.709 31.700 -0.055 0.000 0.791 99 V N -0.530 119.239 119.914 -0.242 0.000 2.453 99 V HA -0.122 3.959 4.120 -0.065 0.000 0.247 99 V C 2.574 178.492 176.094 -0.293 0.000 1.048 99 V CA 2.370 64.465 62.300 -0.341 0.000 1.049 99 V CB -1.842 29.557 31.823 -0.706 0.000 0.672 99 V HN 0.183 nan 8.190 nan 0.000 0.457 100 G N -1.261 107.430 108.800 -0.181 0.000 2.408 100 G HA2 -0.240 3.681 3.960 -0.065 0.000 0.217 100 G HA3 -0.240 3.681 3.960 -0.065 0.000 0.217 100 G C 1.737 176.666 174.900 0.048 0.000 1.150 100 G CA 1.253 46.453 45.100 0.166 0.000 0.776 100 G HN 0.517 nan 8.290 nan 0.000 0.542 101 C N 0.846 120.128 119.300 -0.030 0.000 2.432 101 C HA 0.167 4.588 4.460 -0.065 0.000 0.277 101 C C 3.544 178.486 174.990 -0.080 0.000 1.249 101 C CA 0.879 59.851 59.018 -0.077 0.000 1.725 101 C CB -0.918 26.786 27.740 -0.060 0.000 2.028 101 C HN 0.571 nan 8.230 nan 0.000 0.477 102 A N -0.061 122.724 122.820 -0.059 0.000 1.908 102 A HA -0.204 4.077 4.320 -0.065 0.000 0.218 102 A C 2.160 179.706 177.584 -0.063 0.000 1.181 102 A CA 1.823 53.838 52.037 -0.035 0.000 0.627 102 A CB -0.730 18.276 19.000 0.012 0.000 0.818 102 A HN 0.629 nan 8.150 nan 0.000 0.445 103 L N -0.734 120.435 121.223 -0.091 0.000 2.027 103 L HA -0.184 4.116 4.340 -0.065 0.000 0.206 103 L C 2.628 179.402 176.870 -0.161 0.000 1.074 103 L CA 2.207 56.954 54.840 -0.155 0.000 0.745 103 L CB -0.295 41.676 42.059 -0.146 0.000 0.898 103 L HN 0.512 nan 8.230 nan 0.000 0.433 104 K N 0.019 120.319 120.400 -0.167 0.000 2.032 104 K HA -0.225 4.056 4.320 -0.065 0.000 0.209 104 K C 1.709 178.214 176.600 -0.158 0.000 1.048 104 K CA 2.245 58.397 56.287 -0.226 0.000 0.927 104 K CB -0.193 32.089 32.500 -0.363 0.000 0.712 104 K HN 0.477 nan 8.250 nan 0.000 0.441 105 N N 0.270 118.898 118.700 -0.119 0.000 2.166 105 N HA -0.129 4.572 4.740 -0.065 0.000 0.186 105 N C 1.478 176.967 175.510 -0.036 0.000 1.019 105 N CA 1.113 54.120 53.050 -0.072 0.000 0.856 105 N CB -0.092 38.363 38.487 -0.053 0.000 0.993 105 N HN 0.231 nan 8.380 nan 0.000 0.426 106 N N 1.267 119.942 118.700 -0.041 0.000 2.142 106 N HA -0.051 4.650 4.740 -0.065 0.000 0.186 106 N C 1.737 177.251 175.510 0.006 0.000 1.023 106 N CA 0.714 53.756 53.050 -0.014 0.000 0.852 106 N CB -0.251 38.215 38.487 -0.035 0.000 0.998 106 N HN 0.278 nan 8.380 nan 0.000 0.424 107 I N 1.014 121.565 120.570 -0.032 0.000 2.163 107 I HA -0.232 3.899 4.170 -0.065 0.000 0.243 107 I C 1.976 178.180 176.117 0.145 0.000 1.085 107 I CA 1.021 62.336 61.300 0.024 0.000 1.347 107 I CB -0.187 37.778 38.000 -0.059 0.000 1.044 107 I HN 0.060 nan 8.210 nan 0.000 0.408 108 I N 0.082 120.679 120.570 0.044 0.000 2.226 108 I HA -0.305 3.826 4.170 -0.065 0.000 0.245 108 I C 2.611 178.824 176.117 0.158 0.000 1.100 108 I CA 1.181 62.510 61.300 0.047 0.000 1.374 108 I CB -0.286 37.678 38.000 -0.061 0.000 1.057 108 I HN 0.275 nan 8.210 nan 0.000 0.413 109 Q N 0.687 120.557 119.800 0.116 0.000 2.079 109 Q HA -0.150 4.151 4.340 -0.065 0.000 0.200 109 Q C 2.124 178.228 176.000 0.175 0.000 0.974 109 Q CA 2.087 57.965 55.803 0.125 0.000 0.840 109 Q CB -0.387 28.396 28.738 0.076 0.000 0.898 109 Q HN 0.357 nan 8.270 nan 0.000 0.430 110 T N -0.544 114.132 114.554 0.203 0.000 2.788 110 T HA -0.170 4.141 4.350 -0.065 0.000 0.268 110 T C 1.003 175.935 174.700 0.386 0.000 1.044 110 T CA 1.260 63.511 62.100 0.251 0.000 1.139 110 T CB -0.492 68.503 68.868 0.212 0.000 0.867 110 T HN 0.527 nan 8.240 nan 0.000 0.454 111 W N 1.992 123.433 121.300 0.236 0.000 2.381 111 W HA -0.019 4.617 4.660 -0.040 0.000 0.301 111 W C 2.440 179.006 176.519 0.078 0.000 1.205 111 W CA 0.763 58.119 57.345 0.018 0.000 1.285 111 W CB -0.084 29.221 29.460 -0.258 0.000 1.133 111 W HN 0.030 nan 8.180 nan 0.000 0.521 112 R N -0.351 120.358 120.500 0.348 0.000 2.096 112 R HA -0.190 4.111 4.340 -0.065 0.000 0.235 112 R C 2.285 178.618 176.300 0.054 0.000 1.127 112 R CA 1.431 57.656 56.100 0.209 0.000 0.968 112 R CB -0.499 29.924 30.300 0.205 0.000 0.861 112 R HN 0.253 nan 8.270 nan 0.000 0.440 113 Q N -0.689 119.149 119.800 0.063 0.000 2.123 113 Q HA -0.157 4.144 4.340 -0.065 0.000 0.199 113 Q C 1.800 177.753 176.000 -0.078 0.000 0.966 113 Q CA 1.467 57.279 55.803 0.014 0.000 0.845 113 Q CB -0.088 28.680 28.738 0.049 0.000 0.907 113 Q HN 0.497 nan 8.270 nan 0.000 0.439 114 H N -1.217 117.712 119.070 -0.236 0.000 2.428 114 H HA -0.029 4.487 4.556 -0.066 0.000 0.296 114 H C 0.949 175.782 175.328 -0.825 0.000 1.062 114 H CA 1.476 57.220 56.048 -0.508 0.000 1.350 114 H CB 0.255 29.679 29.762 -0.563 0.000 1.403 114 H HN 0.092 nan 8.280 nan 0.000 0.533 115 F N -1.606 118.100 119.950 -0.407 0.000 2.522 115 F HA 0.173 4.662 4.527 -0.064 0.000 0.275 115 F C 2.072 177.713 175.800 -0.265 0.000 0.890 115 F CA -0.059 57.669 58.000 -0.453 0.000 1.157 115 F CB -0.144 38.266 39.000 -0.983 0.000 1.117 115 F HN -0.053 nan 8.300 nan 0.000 0.787 116 I N 0.447 120.965 120.570 -0.086 0.000 2.163 116 I HA -0.267 3.864 4.170 -0.065 0.000 0.243 116 I C 2.278 178.421 176.117 0.042 0.000 1.085 116 I CA 1.303 62.619 61.300 0.027 0.000 1.347 116 I CB -0.485 37.560 38.000 0.075 0.000 1.044 116 I HN 0.264 nan 8.210 nan 0.000 0.408 117 Q N 0.221 120.026 119.800 0.008 0.000 2.123 117 Q HA -0.207 4.094 4.340 -0.065 0.000 0.199 117 Q C 2.041 178.039 176.000 -0.003 0.000 0.966 117 Q CA 1.263 57.073 55.803 0.012 0.000 0.845 117 Q CB -0.222 28.517 28.738 0.002 0.000 0.907 117 Q HN 0.456 nan 8.270 nan 0.000 0.439 118 E N 1.105 121.276 120.200 -0.049 0.000 2.107 118 E HA -0.141 4.170 4.350 -0.065 0.000 0.191 118 E C 0.920 177.529 176.600 0.015 0.000 0.982 118 E CA 0.970 57.331 56.400 -0.065 0.000 0.809 118 E CB 0.249 29.829 29.700 -0.201 0.000 0.756 118 E HN 0.064 nan 8.360 nan 0.000 0.459 119 E N -0.153 120.090 120.200 0.073 0.000 2.498 119 E HA 0.129 4.440 4.350 -0.065 0.000 0.203 119 E C -0.496 176.208 176.600 0.174 0.000 1.013 119 E CA 0.026 56.525 56.400 0.165 0.000 0.927 119 E CB 0.496 30.367 29.700 0.284 0.000 1.012 119 E HN 0.073 nan 8.360 nan 0.000 0.482 120 Q N -0.251 119.627 119.800 0.129 0.000 2.463 120 Q HA -0.216 4.085 4.340 -0.065 0.000 0.299 120 Q C -0.372 175.738 176.000 0.182 0.000 1.353 120 Q CA 0.670 56.554 55.803 0.136 0.000 0.828 120 Q CB -2.498 26.315 28.738 0.124 0.000 1.157 120 Q HN 0.426 nan 8.270 nan 0.000 0.436 121 I N 0.646 121.326 120.570 0.184 0.000 2.575 121 I HA 0.055 4.186 4.170 -0.065 0.000 0.285 121 I C 1.151 177.378 176.117 0.184 0.000 1.085 121 I CA -0.380 61.049 61.300 0.216 0.000 1.403 121 I CB 0.485 38.606 38.000 0.202 0.000 1.409 121 I HN 0.093 nan 8.210 nan 0.000 0.557 122 L N 6.165 127.511 121.223 0.206 0.000 2.312 122 L HA 0.262 4.563 4.340 -0.065 0.000 0.287 122 L C 0.535 177.453 176.870 0.080 0.000 1.091 122 L CA -0.101 54.809 54.840 0.116 0.000 0.846 122 L CB 0.076 42.198 42.059 0.106 0.000 1.219 122 L HN 0.638 nan 8.230 nan 0.000 0.439 123 E N 3.824 124.052 120.200 0.046 0.000 2.383 123 E HA 0.418 4.729 4.350 -0.065 0.000 0.264 123 E C -1.030 175.562 176.600 -0.013 0.000 1.050 123 E CA -0.321 56.105 56.400 0.044 0.000 0.896 123 E CB 1.548 31.280 29.700 0.054 0.000 0.982 123 E HN 0.504 nan 8.360 nan 0.000 0.424 124 I N 2.259 122.827 120.570 -0.003 0.000 2.865 124 I HA 0.250 4.381 4.170 -0.065 0.000 0.302 124 I C -1.666 174.435 176.117 -0.026 0.000 1.140 124 I CA -0.670 60.614 61.300 -0.028 0.000 1.021 124 I CB 2.191 40.181 38.000 -0.017 0.000 1.233 124 I HN 0.475 nan 8.210 nan 0.000 0.427 125 D N 5.970 126.350 120.400 -0.032 0.000 2.375 125 D HA 0.361 4.962 4.640 -0.065 0.000 0.259 125 D C -1.136 175.148 176.300 -0.026 0.000 1.235 125 D CA -0.051 53.931 54.000 -0.030 0.000 0.924 125 D CB 1.002 41.785 40.800 -0.028 0.000 1.143 125 D HN 0.433 nan 8.370 nan 0.000 0.529 126 C N 1.109 120.394 119.300 -0.025 0.000 2.345 126 C HA 0.717 5.138 4.460 -0.065 0.000 0.370 126 C C 1.081 176.065 174.990 -0.010 0.000 1.209 126 C CA -0.667 58.340 59.018 -0.017 0.000 2.133 126 C CB 1.173 28.903 27.740 -0.017 0.000 2.293 126 C HN 0.665 nan 8.230 nan 0.000 0.544 127 T N -0.873 113.679 114.554 -0.002 0.000 2.849 127 T HA 0.345 4.656 4.350 -0.065 0.000 0.284 127 T C 0.527 175.241 174.700 0.023 0.000 1.004 127 T CA -0.330 61.774 62.100 0.007 0.000 1.021 127 T CB 0.452 69.322 68.868 0.004 0.000 1.013 127 T HN 0.598 nan 8.240 nan 0.000 0.527 128 M N -0.104 119.520 119.600 0.041 0.000 2.492 128 M HA 0.241 4.682 4.480 -0.065 0.000 0.255 128 M C -0.310 176.015 176.300 0.042 0.000 1.139 128 M CA -0.013 55.338 55.300 0.085 0.000 1.096 128 M CB 0.040 32.752 32.600 0.187 0.000 1.360 128 M HN 0.293 nan 8.290 nan 0.000 0.480 129 L N 2.242 123.469 121.223 0.006 0.000 2.315 129 L HA 0.212 4.513 4.340 -0.065 0.000 0.283 129 L C 0.442 177.322 176.870 0.016 0.000 1.089 129 L CA 0.351 55.185 54.840 -0.011 0.000 0.833 129 L CB 0.278 42.321 42.059 -0.027 0.000 1.170 129 L HN 0.164 nan 8.230 nan 0.000 0.442 130 T N 2.884 117.462 114.554 0.040 0.000 2.841 130 T HA 0.670 4.980 4.350 -0.065 0.000 0.285 130 T C -2.713 172.033 174.700 0.077 0.000 0.991 130 T CA -2.058 60.081 62.100 0.066 0.000 0.966 130 T CB 2.082 71.010 68.868 0.100 0.000 0.962 130 T HN 0.217 nan 8.240 nan 0.000 0.438 131 P HA 0.163 nan 4.420 nan 0.000 0.272 131 P C 0.761 178.130 177.300 0.115 0.000 1.240 131 P CA -0.238 62.888 63.100 0.044 0.000 0.791 131 P CB 1.100 32.820 31.700 0.033 0.000 0.978 132 E N 1.190 121.443 120.200 0.089 0.000 2.051 132 E HA -0.154 4.157 4.350 -0.065 0.000 0.192 132 E C -0.801 175.871 176.600 0.119 0.000 0.991 132 E CA 1.697 58.207 56.400 0.183 0.000 0.799 132 E CB -1.451 28.294 29.700 0.074 0.000 0.748 132 E HN 0.373 nan 8.360 nan 0.000 0.449 133 P HA -0.173 nan 4.420 nan 0.000 0.216 133 P C 1.352 178.699 177.300 0.078 0.000 1.150 133 P CA 1.118 64.247 63.100 0.049 0.000 0.843 133 P CB 0.040 31.764 31.700 0.041 0.000 0.787 134 V N -0.734 119.246 119.914 0.111 0.000 2.358 134 V HA -0.171 3.910 4.120 -0.065 0.000 0.246 134 V C 2.175 178.397 176.094 0.214 0.000 1.047 134 V CA 1.506 63.910 62.300 0.173 0.000 1.035 134 V CB -1.098 30.806 31.823 0.135 0.000 0.658 134 V HN 0.105 nan 8.190 nan 0.000 0.452 135 L N -0.279 121.031 121.223 0.144 0.000 2.591 135 L HA 0.067 4.367 4.340 -0.065 0.000 0.228 135 L C 2.193 179.074 176.870 0.019 0.000 1.133 135 L CA 0.630 55.518 54.840 0.080 0.000 0.880 135 L CB -0.413 41.659 42.059 0.021 0.000 1.033 135 L HN 0.299 nan 8.230 nan 0.000 0.450 136 K N 0.132 120.545 120.400 0.022 0.000 2.314 136 K HA -0.003 4.278 4.320 -0.065 0.000 0.198 136 K C 1.236 177.810 176.600 -0.043 0.000 1.045 136 K CA 0.755 57.035 56.287 -0.012 0.000 0.988 136 K CB 0.357 32.840 32.500 -0.029 0.000 0.783 136 K HN 0.161 nan 8.250 nan 0.000 0.484 137 T N -0.444 114.067 114.554 -0.073 0.000 3.188 137 T HA 0.147 4.458 4.350 -0.065 0.000 0.250 137 T C 0.883 175.388 174.700 -0.326 0.000 1.077 137 T CA -0.057 61.937 62.100 -0.177 0.000 0.967 137 T CB 0.535 69.300 68.868 -0.173 0.000 1.006 137 T HN 0.012 nan 8.240 nan 0.000 0.552 138 S N 0.451 116.021 115.700 -0.218 0.000 3.526 138 S HA 0.541 4.971 4.470 -0.065 0.000 0.222 138 S C 1.000 175.537 174.600 -0.105 0.000 1.001 138 S CA -0.061 58.022 58.200 -0.195 0.000 0.831 138 S CB 0.836 63.969 63.200 -0.112 0.000 0.941 138 S HN 0.533 nan 8.310 nan 0.000 0.585 139 G N 0.855 109.610 108.800 -0.074 0.000 3.411 139 G HA2 0.317 4.238 3.960 -0.065 0.000 0.298 139 G HA3 0.317 4.238 3.960 -0.065 0.000 0.298 139 G C -0.570 174.285 174.900 -0.076 0.000 3.379 139 G CA -0.554 44.510 45.100 -0.060 0.000 0.608 139 G HN 0.345 nan 8.290 nan 0.000 0.292 140 H N 1.217 120.198 119.070 -0.148 0.000 2.563 140 H HA 0.313 4.829 4.556 -0.066 0.000 0.272 140 H C 1.375 176.607 175.328 -0.160 0.000 1.005 140 H CA 1.700 57.624 56.048 -0.206 0.000 1.171 140 H CB 0.543 30.216 29.762 -0.148 0.000 1.351 140 H HN 0.280 nan 8.280 nan 0.000 0.602 141 V N -1.441 118.390 119.914 -0.139 0.000 3.159 141 V HA 0.082 4.163 4.120 -0.065 0.000 0.234 141 V C 0.551 176.619 176.094 -0.042 0.000 1.313 141 V CA 0.658 62.876 62.300 -0.135 0.000 1.271 141 V CB 0.815 32.602 31.823 -0.060 0.000 1.053 141 V HN 0.228 nan 8.190 nan 0.000 0.476 142 D N -0.318 120.096 120.400 0.024 0.000 2.696 142 D HA 0.203 4.804 4.640 -0.065 0.000 0.269 142 D C 1.496 177.810 176.300 0.024 0.000 1.319 142 D CA 0.135 54.259 54.000 0.207 0.000 0.826 142 D CB 0.364 41.267 40.800 0.172 0.000 1.086 142 D HN 0.001 nan 8.370 nan 0.000 0.481 143 K N -0.358 119.962 120.400 -0.134 0.000 2.308 143 K HA 0.276 4.557 4.320 -0.065 0.000 0.197 143 K C -0.102 176.249 176.600 -0.414 0.000 1.049 143 K CA 0.411 56.453 56.287 -0.409 0.000 0.991 143 K CB 1.051 33.414 32.500 -0.228 0.000 0.836 143 K HN 0.212 nan 8.250 nan 0.000 0.500 144 F N -1.044 118.821 119.950 -0.142 0.000 2.689 144 F HA 0.117 4.607 4.527 -0.062 0.000 0.313 144 F C -1.587 174.077 175.800 -0.225 0.000 1.054 144 F CA -1.130 56.779 58.000 -0.153 0.000 0.952 144 F CB 0.570 39.514 39.000 -0.094 0.000 1.272 144 F HN -0.199 nan 8.300 nan 0.000 0.498 145 A N 2.735 125.520 122.820 -0.060 0.000 2.359 145 A HA 0.723 5.004 4.320 -0.065 0.000 0.303 145 A C -1.608 175.793 177.584 -0.305 0.000 1.066 145 A CA -0.644 51.259 52.037 -0.223 0.000 0.730 145 A CB 1.435 20.267 19.000 -0.279 0.000 1.211 145 A HN 0.487 nan 8.150 nan 0.000 0.439 146 D N 1.187 121.480 120.400 -0.179 0.000 2.181 146 D HA 0.490 5.091 4.640 -0.065 0.000 0.248 146 D C -0.568 175.651 176.300 -0.134 0.000 1.020 146 D CA 0.130 54.033 54.000 -0.162 0.000 0.891 146 D CB 0.982 41.790 40.800 0.013 0.000 1.187 146 D HN 0.384 nan 8.370 nan 0.000 0.443 147 F N 1.155 121.138 119.950 0.054 0.000 2.495 147 F HA 0.173 4.662 4.527 -0.063 0.000 0.365 147 F C 0.968 176.795 175.800 0.045 0.000 1.090 147 F CA -0.112 57.916 58.000 0.046 0.000 1.235 147 F CB 0.562 39.580 39.000 0.030 0.000 1.119 147 F HN -0.032 nan 8.300 nan 0.000 0.562 148 M N 5.662 125.372 119.600 0.183 0.000 2.253 148 M HA 0.581 5.022 4.480 -0.065 0.000 0.314 148 M C -1.557 174.751 176.300 0.014 0.000 1.019 148 M CA -0.934 54.405 55.300 0.066 0.000 0.932 148 M CB 1.434 33.995 32.600 -0.065 0.000 1.606 148 M HN 0.370 nan 8.290 nan 0.000 0.430 149 V N 2.481 122.408 119.914 0.023 0.000 2.398 149 V HA 0.611 4.692 4.120 -0.065 0.000 0.286 149 V C -0.473 175.673 176.094 0.086 0.000 1.026 149 V CA -0.743 61.539 62.300 -0.031 0.000 0.868 149 V CB 1.061 32.790 31.823 -0.156 0.000 0.982 149 V HN 0.881 nan 8.190 nan 0.000 0.443 150 K N 2.484 122.903 120.400 0.032 0.000 2.177 150 K HA 0.541 4.822 4.320 -0.065 0.000 0.238 150 K C -1.063 175.591 176.600 0.091 0.000 1.015 150 K CA -0.764 55.557 56.287 0.056 0.000 0.922 150 K CB 1.242 33.740 32.500 -0.004 0.000 1.127 150 K HN 0.849 nan 8.250 nan 0.000 0.469 151 D N 0.759 121.218 120.400 0.099 0.000 2.492 151 D HA 0.109 4.710 4.640 -0.065 0.000 0.248 151 D C 0.283 176.615 176.300 0.054 0.000 1.101 151 D CA -0.658 53.404 54.000 0.103 0.000 0.840 151 D CB 1.627 42.538 40.800 0.185 0.000 1.209 151 D HN 0.243 nan 8.370 nan 0.000 0.524 152 V N 1.685 121.620 119.914 0.036 0.000 3.593 152 V HA 0.209 4.289 4.120 -0.065 0.000 0.275 152 V C 0.760 176.866 176.094 0.020 0.000 1.237 152 V CA 0.372 62.684 62.300 0.021 0.000 1.194 152 V CB -1.437 30.395 31.823 0.013 0.000 0.949 152 V HN 0.414 nan 8.190 nan 0.000 0.467 153 K N 0.294 120.711 120.400 0.028 0.000 2.597 153 K HA 0.280 4.561 4.320 -0.065 0.000 0.282 153 K C 0.140 176.760 176.600 0.034 0.000 0.975 153 K CA -0.070 56.231 56.287 0.024 0.000 0.867 153 K CB 1.525 34.037 32.500 0.020 0.000 1.465 153 K HN 0.019 nan 8.250 nan 0.000 0.417 154 N N 0.505 119.221 118.700 0.025 0.000 2.936 154 N HA -0.220 4.481 4.740 -0.065 0.000 0.236 154 N C 0.817 176.339 175.510 0.020 0.000 0.930 154 N CA 1.101 54.168 53.050 0.029 0.000 0.966 154 N CB -0.812 37.707 38.487 0.053 0.000 1.090 154 N HN 0.950 nan 8.380 nan 0.000 0.592 155 G N 0.861 109.670 108.800 0.015 0.000 2.359 155 G HA2 -0.428 3.493 3.960 -0.065 0.000 0.311 155 G HA3 -0.428 3.493 3.960 -0.065 0.000 0.311 155 G C 0.046 174.925 174.900 -0.036 0.000 1.025 155 G CA 1.537 46.635 45.100 -0.004 0.000 0.694 155 G HN 0.839 nan 8.290 nan 0.000 0.542 156 E N -0.146 120.026 120.200 -0.047 0.000 2.608 156 E HA 0.132 4.443 4.350 -0.065 0.000 0.259 156 E C 0.297 176.705 176.600 -0.320 0.000 0.951 156 E CA -0.210 56.067 56.400 -0.205 0.000 0.945 156 E CB -0.045 29.516 29.700 -0.231 0.000 0.916 156 E HN 0.298 nan 8.360 nan 0.000 0.477 157 C N 4.934 123.972 119.300 -0.436 0.000 2.405 157 C HA 0.533 4.954 4.460 -0.065 0.000 0.365 157 C C -0.427 174.197 174.990 -0.611 0.000 1.233 157 C CA -0.555 58.244 59.018 -0.366 0.000 2.230 157 C CB -0.472 27.081 27.740 -0.311 0.000 2.443 157 C HN 0.564 nan 8.230 nan 0.000 0.556 158 F N 0.470 120.400 119.950 -0.034 0.000 2.603 158 F HA 0.532 5.021 4.527 -0.064 0.000 0.317 158 F C 0.251 176.078 175.800 0.044 0.000 1.066 158 F CA -0.919 57.097 58.000 0.027 0.000 0.941 158 F CB 1.040 40.094 39.000 0.090 0.000 1.291 158 F HN 0.414 nan 8.300 nan 0.000 0.472 159 R N 1.300 121.975 120.500 0.291 0.000 2.267 159 R HA 0.541 4.842 4.340 -0.065 0.000 0.319 159 R C 0.646 177.147 176.300 0.335 0.000 1.067 159 R CA 0.200 56.446 56.100 0.243 0.000 0.936 159 R CB 1.135 31.544 30.300 0.180 0.000 1.006 159 R HN 0.937 nan 8.270 nan 0.000 0.452 160 A N 4.419 127.430 122.820 0.318 0.000 1.851 160 A HA -0.204 4.077 4.320 -0.065 0.000 0.216 160 A C 1.395 179.212 177.584 0.388 0.000 1.195 160 A CA 1.761 54.051 52.037 0.422 0.000 0.622 160 A CB -0.426 18.765 19.000 0.318 0.000 0.831 160 A HN 0.872 nan 8.150 nan 0.000 0.444 161 D N -1.359 119.224 120.400 0.305 0.000 2.158 161 D HA -0.192 4.409 4.640 -0.065 0.000 0.197 161 D C 1.745 178.153 176.300 0.179 0.000 0.995 161 D CA 1.550 55.680 54.000 0.217 0.000 0.846 161 D CB -0.510 40.406 40.800 0.193 0.000 0.941 161 D HN 0.733 nan 8.370 nan 0.000 0.456 162 H N 0.383 119.529 119.070 0.128 0.000 2.307 162 H HA -0.000 4.518 4.556 -0.064 0.000 0.303 162 H C 2.324 177.693 175.328 0.069 0.000 1.073 162 H CA 0.804 56.911 56.048 0.098 0.000 1.338 162 H CB -0.192 29.642 29.762 0.121 0.000 1.389 162 H HN 0.101 nan 8.280 nan 0.000 0.503 163 L N 0.595 121.854 121.223 0.059 0.000 2.017 163 L HA -0.207 4.094 4.340 -0.065 0.000 0.208 163 L C 3.023 179.783 176.870 -0.184 0.000 1.073 163 L CA 0.868 55.660 54.840 -0.080 0.000 0.745 163 L CB -0.560 41.520 42.059 0.036 0.000 0.894 163 L HN 0.324 nan 8.230 nan 0.000 0.432 164 L N 0.157 121.253 121.223 -0.212 0.000 2.012 164 L HA -0.295 4.006 4.340 -0.065 0.000 0.210 164 L C 2.802 179.527 176.870 -0.241 0.000 1.073 164 L CA 1.697 56.330 54.840 -0.345 0.000 0.748 164 L CB -0.275 41.581 42.059 -0.339 0.000 0.891 164 L HN 0.305 nan 8.230 nan 0.000 0.431 165 K N -0.384 119.918 120.400 -0.163 0.000 2.002 165 K HA -0.212 4.069 4.320 -0.065 0.000 0.209 165 K C 1.999 178.497 176.600 -0.169 0.000 1.048 165 K CA 1.507 57.707 56.287 -0.145 0.000 0.930 165 K CB -0.148 32.307 32.500 -0.075 0.000 0.714 165 K HN 0.379 nan 8.250 nan 0.000 0.438 166 A N 0.405 123.098 122.820 -0.212 0.000 1.902 166 A HA -0.225 4.056 4.320 -0.065 0.000 0.217 166 A C 1.990 179.501 177.584 -0.122 0.000 1.181 166 A CA 2.024 53.945 52.037 -0.194 0.000 0.623 166 A CB -0.918 17.897 19.000 -0.308 0.000 0.818 166 A HN 0.621 nan 8.150 nan 0.000 0.443 167 H N -0.387 118.544 119.070 -0.232 0.000 2.428 167 H HA 0.124 4.641 4.556 -0.065 0.000 0.296 167 H C 1.658 176.861 175.328 -0.208 0.000 1.062 167 H CA 1.416 57.339 56.048 -0.209 0.000 1.350 167 H CB -0.224 29.392 29.762 -0.243 0.000 1.403 167 H HN 0.363 nan 8.280 nan 0.000 0.533 168 L N -0.125 120.876 121.223 -0.369 0.000 2.056 168 L HA -0.167 4.134 4.340 -0.065 0.000 0.207 168 L C 2.341 179.041 176.870 -0.283 0.000 1.078 168 L CA 1.416 56.002 54.840 -0.423 0.000 0.749 168 L CB -0.350 41.471 42.059 -0.396 0.000 0.901 168 L HN 0.409 nan 8.230 nan 0.000 0.433 169 Q N -0.295 119.386 119.800 -0.197 0.000 2.291 169 Q HA -0.184 4.117 4.340 -0.065 0.000 0.205 169 Q C 2.057 177.986 176.000 -0.119 0.000 0.970 169 Q CA 0.985 56.710 55.803 -0.130 0.000 0.876 169 Q CB 0.065 28.749 28.738 -0.090 0.000 0.935 169 Q HN 0.473 nan 8.270 nan 0.000 0.455 170 K N 0.629 120.943 120.400 -0.144 0.000 1.984 170 K HA -0.083 4.198 4.320 -0.065 0.000 0.209 170 K C 1.896 178.420 176.600 -0.127 0.000 1.046 170 K CA 1.048 57.270 56.287 -0.108 0.000 0.934 170 K CB -0.046 32.416 32.500 -0.064 0.000 0.717 170 K HN 0.160 nan 8.250 nan 0.000 0.438 171 L N 0.560 121.653 121.223 -0.218 0.000 2.478 171 L HA 0.037 4.338 4.340 -0.065 0.000 0.223 171 L C 2.380 179.177 176.870 -0.121 0.000 1.140 171 L CA 0.169 54.909 54.840 -0.167 0.000 0.842 171 L CB -0.112 41.814 42.059 -0.222 0.000 0.953 171 L HN 0.273 nan 8.230 nan 0.000 0.452 172 M N -1.015 118.504 119.600 -0.134 0.000 2.319 172 M HA -0.033 4.408 4.480 -0.065 0.000 0.265 172 M C 0.287 176.550 176.300 -0.062 0.000 1.068 172 M CA 1.152 56.396 55.300 -0.093 0.000 1.118 172 M CB 0.418 32.957 32.600 -0.102 0.000 1.395 172 M HN 0.013 nan 8.290 nan 0.000 0.435 173 S N 1.052 116.715 115.700 -0.062 0.000 2.158 173 S HA 0.295 4.725 4.470 -0.065 0.000 0.160 173 S C -1.219 173.359 174.600 -0.036 0.000 1.693 173 S CA -0.711 57.465 58.200 -0.041 0.000 1.251 173 S CB 0.455 63.635 63.200 -0.034 0.000 1.153 173 S HN 0.248 nan 8.310 nan 0.000 0.439 174 D N 1.873 122.253 120.400 -0.033 0.000 2.333 174 D HA 0.113 4.714 4.640 -0.065 0.000 0.225 174 D C -0.985 175.302 176.300 -0.020 0.000 1.345 174 D CA -0.180 53.805 54.000 -0.025 0.000 0.971 174 D CB 0.939 41.721 40.800 -0.030 0.000 1.451 174 D HN 0.177 nan 8.370 nan 0.000 0.561 175 K N 2.775 123.166 120.400 -0.015 0.000 2.724 175 K HA 0.157 4.438 4.320 -0.065 0.000 0.198 175 K C 0.908 177.503 176.600 -0.009 0.000 1.099 175 K CA -0.288 55.992 56.287 -0.012 0.000 1.025 175 K CB 1.094 33.587 32.500 -0.012 0.000 1.509 175 K HN 0.269 nan 8.250 nan 0.000 0.564 176 K N -0.962 119.433 120.400 -0.009 0.000 2.397 176 K HA 0.105 4.385 4.320 -0.065 0.000 0.202 176 K C 0.642 177.237 176.600 -0.008 0.000 1.022 176 K CA -0.341 55.941 56.287 -0.007 0.000 1.141 176 K CB 0.202 32.699 32.500 -0.006 0.000 0.857 176 K HN 0.170 nan 8.250 nan 0.000 0.514 177 C N 1.448 120.742 119.300 -0.010 0.000 2.345 177 C HA 0.533 4.954 4.460 -0.065 0.000 0.369 177 C C 0.623 175.608 174.990 -0.009 0.000 1.273 177 C CA -0.329 58.682 59.018 -0.010 0.000 2.310 177 C CB 1.175 28.906 27.740 -0.015 0.000 2.219 177 C HN 0.666 nan 8.230 nan 0.000 0.587 178 S N 1.195 116.891 115.700 -0.007 0.000 2.690 178 S HA 0.476 4.907 4.470 -0.065 0.000 0.291 178 S C 0.386 174.983 174.600 -0.004 0.000 1.138 178 S CA -0.572 57.625 58.200 -0.005 0.000 1.013 178 S CB 1.360 64.557 63.200 -0.004 0.000 1.053 178 S HN 0.693 nan 8.310 nan 0.000 0.539 179 V N 1.036 120.948 119.914 -0.003 0.000 2.649 179 V HA -0.005 4.076 4.120 -0.065 0.000 0.248 179 V C 2.203 178.297 176.094 0.001 0.000 1.054 179 V CA 1.496 63.795 62.300 -0.002 0.000 1.073 179 V CB -1.126 30.697 31.823 -0.001 0.000 0.699 179 V HN 0.839 nan 8.190 nan 0.000 0.463 180 E N -0.179 120.022 120.200 0.002 0.000 2.274 180 E HA -0.081 4.230 4.350 -0.065 0.000 0.194 180 E C 2.184 178.790 176.600 0.010 0.000 0.996 180 E CA 0.463 56.866 56.400 0.005 0.000 0.840 180 E CB -0.099 29.602 29.700 0.002 0.000 0.772 180 E HN 0.288 nan 8.360 nan 0.000 0.491 181 K N 0.692 121.097 120.400 0.009 0.000 2.076 181 K HA -0.013 4.268 4.320 -0.065 0.000 0.204 181 K C 1.747 178.357 176.600 0.017 0.000 1.051 181 K CA 0.819 57.118 56.287 0.021 0.000 0.949 181 K CB -0.004 32.507 32.500 0.017 0.000 0.726 181 K HN 0.064 nan 8.250 nan 0.000 0.443 182 K N 0.336 120.737 120.400 0.002 0.000 2.020 182 K HA -0.158 4.123 4.320 -0.065 0.000 0.212 182 K C 2.265 178.864 176.600 -0.001 0.000 1.050 182 K CA 1.865 58.148 56.287 -0.007 0.000 0.929 182 K CB -0.354 32.141 32.500 -0.008 0.000 0.714 182 K HN 0.011 nan 8.250 nan 0.000 0.443 183 S N 0.810 116.514 115.700 0.006 0.000 2.399 183 S HA -0.203 4.228 4.470 -0.065 0.000 0.231 183 S C 2.007 176.619 174.600 0.020 0.000 1.022 183 S CA 1.476 59.682 58.200 0.010 0.000 0.983 183 S CB -0.096 63.110 63.200 0.010 0.000 0.803 183 S HN 0.365 nan 8.310 nan 0.000 0.480 184 E N 0.046 120.264 120.200 0.031 0.000 2.047 184 E HA -0.125 4.186 4.350 -0.065 0.000 0.191 184 E C 2.069 178.709 176.600 0.066 0.000 0.987 184 E CA 1.187 57.621 56.400 0.056 0.000 0.799 184 E CB -0.196 29.546 29.700 0.071 0.000 0.752 184 E HN 0.592 nan 8.360 nan 0.000 0.449 185 M N 0.322 119.943 119.600 0.035 0.000 2.254 185 M HA -0.092 4.349 4.480 -0.065 0.000 0.265 185 M C 2.053 178.328 176.300 -0.042 0.000 1.066 185 M CA 1.187 56.465 55.300 -0.038 0.000 1.123 185 M CB -0.010 32.530 32.600 -0.101 0.000 1.388 185 M HN 0.098 nan 8.290 nan 0.000 0.425 186 E N -0.274 119.916 120.200 -0.017 0.000 2.077 186 E HA -0.178 4.133 4.350 -0.065 0.000 0.193 186 E C 2.087 178.693 176.600 0.009 0.000 0.989 186 E CA 1.432 57.826 56.400 -0.009 0.000 0.800 186 E CB -0.092 29.606 29.700 -0.003 0.000 0.746 186 E HN 0.342 nan 8.360 nan 0.000 0.452 187 S N 0.011 115.726 115.700 0.025 0.000 2.419 187 S HA -0.121 4.310 4.470 -0.065 0.000 0.233 187 S C 1.976 176.621 174.600 0.075 0.000 1.016 187 S CA 0.834 59.058 58.200 0.041 0.000 0.974 187 S CB 0.013 63.242 63.200 0.049 0.000 0.786 187 S HN 0.053 nan 8.310 nan 0.000 0.492 188 V N 1.589 121.556 119.914 0.088 0.000 2.346 188 V HA 0.006 4.087 4.120 -0.065 0.000 0.244 188 V C 2.336 178.514 176.094 0.140 0.000 1.037 188 V CA 1.365 63.763 62.300 0.162 0.000 1.029 188 V CB -0.586 31.272 31.823 0.058 0.000 0.663 188 V HN 0.453 nan 8.190 nan 0.000 0.454 189 L N 0.479 121.721 121.223 0.032 0.000 2.127 189 L HA -0.128 4.172 4.340 -0.065 0.000 0.211 189 L C 2.340 179.223 176.870 0.021 0.000 1.089 189 L CA 1.449 56.297 54.840 0.013 0.000 0.757 189 L CB -0.579 41.466 42.059 -0.024 0.000 0.899 189 L HN 0.376 nan 8.230 nan 0.000 0.434 190 A N -1.137 121.690 122.820 0.012 0.000 2.259 190 A HA -0.020 4.261 4.320 -0.065 0.000 0.208 190 A C 1.600 179.154 177.584 -0.050 0.000 1.201 190 A CA 0.525 52.553 52.037 -0.014 0.000 0.824 190 A CB -0.127 18.864 19.000 -0.015 0.000 0.838 190 A HN 0.545 nan 8.150 nan 0.000 0.485 191 Q N -1.480 118.287 119.800 -0.055 0.000 2.081 191 Q HA 0.321 4.622 4.340 -0.065 0.000 0.220 191 Q C 1.214 177.072 176.000 -0.238 0.000 0.775 191 Q CA -0.247 55.410 55.803 -0.244 0.000 0.983 191 Q CB 0.203 28.666 28.738 -0.458 0.000 1.188 191 Q HN 0.532 nan 8.270 nan 0.000 0.458 192 L N 2.047 123.309 121.223 0.066 0.000 1.978 192 L HA -0.291 4.010 4.340 -0.065 0.000 0.218 192 L C 1.940 178.891 176.870 0.135 0.000 1.075 192 L CA 2.130 57.097 54.840 0.212 0.000 0.767 192 L CB -0.346 41.787 42.059 0.123 0.000 0.890 192 L HN 0.464 nan 8.230 nan 0.000 0.434 193 D N -1.652 118.770 120.400 0.036 0.000 2.351 193 D HA -0.184 4.417 4.640 -0.065 0.000 0.216 193 D C 1.042 177.345 176.300 0.005 0.000 0.968 193 D CA 0.907 54.918 54.000 0.018 0.000 0.899 193 D CB -0.475 40.306 40.800 -0.033 0.000 0.907 193 D HN 0.308 nan 8.370 nan 0.000 0.514 194 N N -1.077 117.587 118.700 -0.059 0.000 2.238 194 N HA 0.058 4.759 4.740 -0.065 0.000 0.235 194 N C -0.938 174.503 175.510 -0.116 0.000 1.209 194 N CA -0.360 52.636 53.050 -0.089 0.000 0.879 194 N CB 0.171 38.573 38.487 -0.142 0.000 1.136 194 N HN 0.246 nan 8.380 nan 0.000 0.517 195 Y N 0.638 120.951 120.300 0.022 0.000 2.335 195 Y HA 0.371 4.882 4.550 -0.066 0.000 0.331 195 Y C 1.745 177.626 175.900 -0.031 0.000 1.094 195 Y CA -0.585 57.507 58.100 -0.014 0.000 1.253 195 Y CB 0.872 39.306 38.460 -0.044 0.000 1.203 195 Y HN -0.023 nan 8.280 nan 0.000 0.508 196 G N 1.694 110.586 108.800 0.154 0.000 2.570 196 G HA2 -0.053 3.868 3.960 -0.065 0.000 0.276 196 G HA3 -0.053 3.868 3.960 -0.065 0.000 0.276 196 G C 0.641 175.473 174.900 -0.113 0.000 1.346 196 G CA -0.323 44.831 45.100 0.090 0.000 1.034 196 G HN 0.605 nan 8.290 nan 0.000 0.512 197 Q N -1.046 118.714 119.800 -0.068 0.000 1.994 197 Q HA -0.101 4.200 4.340 -0.065 0.000 0.198 197 Q C 2.434 178.338 176.000 -0.160 0.000 0.976 197 Q CA 1.768 57.453 55.803 -0.197 0.000 0.828 197 Q CB -0.563 28.226 28.738 0.085 0.000 0.894 197 Q HN 0.621 nan 8.270 nan 0.000 0.432 198 Q N 1.052 120.818 119.800 -0.056 0.000 1.715 198 Q HA -0.233 4.068 4.340 -0.065 0.000 0.372 198 Q C 1.549 177.511 176.000 -0.064 0.000 0.998 198 Q CA 2.600 58.377 55.803 -0.044 0.000 0.894 198 Q CB -0.607 28.125 28.738 -0.009 0.000 0.947 198 Q HN 0.446 nan 8.270 nan 0.000 0.407 199 E N -1.053 119.126 120.200 -0.035 0.000 2.826 199 E HA -0.346 3.965 4.350 -0.065 0.000 0.239 199 E C 1.704 178.219 176.600 -0.142 0.000 0.999 199 E CA 2.320 58.692 56.400 -0.046 0.000 1.650 199 E CB -0.994 28.740 29.700 0.056 0.000 1.543 199 E HN 0.497 nan 8.360 nan 0.000 0.437 200 L N -0.938 120.184 121.223 -0.168 0.000 2.072 200 L HA -0.117 4.184 4.340 -0.065 0.000 0.205 200 L C 2.440 179.301 176.870 -0.015 0.000 1.079 200 L CA 1.266 56.005 54.840 -0.169 0.000 0.752 200 L CB -0.412 41.453 42.059 -0.323 0.000 0.906 200 L HN 0.390 nan 8.230 nan 0.000 0.436 201 A N -0.157 122.611 122.820 -0.086 0.000 1.908 201 A HA -0.260 4.021 4.320 -0.065 0.000 0.218 201 A C 1.786 179.391 177.584 0.036 0.000 1.181 201 A CA 2.054 54.061 52.037 -0.049 0.000 0.627 201 A CB -0.560 18.390 19.000 -0.084 0.000 0.818 201 A HN 0.455 nan 8.150 nan 0.000 0.445 202 D N 0.109 120.507 120.400 -0.003 0.000 2.097 202 D HA -0.113 4.488 4.640 -0.065 0.000 0.195 202 D C 1.920 178.229 176.300 0.015 0.000 0.989 202 D CA 1.057 55.054 54.000 -0.005 0.000 0.827 202 D CB -0.468 40.312 40.800 -0.034 0.000 0.966 202 D HN 0.444 nan 8.370 nan 0.000 0.456 203 L N -0.348 120.878 121.223 0.005 0.000 2.127 203 L HA -0.175 4.126 4.340 -0.065 0.000 0.211 203 L C 2.347 179.309 176.870 0.155 0.000 1.089 203 L CA 0.706 55.582 54.840 0.060 0.000 0.757 203 L CB -0.320 41.685 42.059 -0.088 0.000 0.899 203 L HN -0.043 nan 8.230 nan 0.000 0.434 204 F N -0.704 119.245 119.950 -0.002 0.000 2.102 204 F HA -0.205 4.283 4.527 -0.066 0.000 0.298 204 F C 2.309 178.121 175.800 0.019 0.000 1.105 204 F CA 1.451 59.459 58.000 0.013 0.000 1.239 204 F CB -0.401 38.579 39.000 -0.033 0.000 0.991 204 F HN -0.234 nan 8.300 nan 0.000 0.474 205 V N -0.251 119.764 119.914 0.168 0.000 2.379 205 V HA -0.273 3.808 4.120 -0.065 0.000 0.245 205 V C 1.658 177.754 176.094 0.003 0.000 1.044 205 V CA 2.035 64.376 62.300 0.069 0.000 1.036 205 V CB -0.806 31.037 31.823 0.033 0.000 0.664 205 V HN 0.362 nan 8.190 nan 0.000 0.453 206 N N -1.290 117.383 118.700 -0.045 0.000 2.453 206 N HA -0.104 4.597 4.740 -0.065 0.000 0.183 206 N C 1.062 176.353 175.510 -0.365 0.000 1.041 206 N CA 0.941 53.868 53.050 -0.206 0.000 0.900 206 N CB -0.020 38.301 38.487 -0.277 0.000 0.961 206 N HN 0.546 nan 8.380 nan 0.000 0.443 207 Y N -0.219 120.057 120.300 -0.041 0.000 2.531 207 Y HA 0.192 4.704 4.550 -0.065 0.000 0.249 207 Y C 0.238 176.168 175.900 0.051 0.000 1.168 207 Y CA -0.605 57.483 58.100 -0.020 0.000 1.226 207 Y CB 0.369 38.791 38.460 -0.064 0.000 1.177 207 Y HN -0.100 nan 8.280 nan 0.000 0.527 208 N N 0.799 119.559 118.700 0.100 0.000 2.725 208 N HA -0.171 4.530 4.740 -0.065 0.000 0.251 208 N C -1.192 174.296 175.510 -0.036 0.000 1.031 208 N CA 0.373 53.451 53.050 0.047 0.000 0.720 208 N CB -1.115 37.398 38.487 0.044 0.000 0.930 208 N HN 0.023 nan 8.380 nan 0.000 0.543 209 V N 0.914 120.775 119.914 -0.089 0.000 2.470 209 V HA 0.175 4.256 4.120 -0.065 0.000 0.276 209 V C 0.972 176.953 176.094 -0.189 0.000 1.040 209 V CA 0.284 62.381 62.300 -0.338 0.000 1.008 209 V CB 0.951 32.483 31.823 -0.485 0.000 0.990 209 V HN 0.185 nan 8.190 nan 0.000 0.477 210 K N 2.417 122.635 120.400 -0.303 0.000 2.352 210 K HA 0.538 4.819 4.320 -0.065 0.000 0.240 210 K C -0.128 176.324 176.600 -0.247 0.000 1.017 210 K CA -0.817 55.360 56.287 -0.183 0.000 0.851 210 K CB 1.659 34.073 32.500 -0.143 0.000 1.261 210 K HN 0.519 nan 8.250 nan 0.000 0.451 211 S N 3.436 119.005 115.700 -0.218 0.000 2.575 211 S HA -0.035 4.396 4.470 -0.065 0.000 0.295 211 S C -1.454 172.985 174.600 -0.267 0.000 1.267 211 S CA -0.937 57.054 58.200 -0.349 0.000 1.074 211 S CB 0.051 63.155 63.200 -0.161 0.000 0.829 211 S HN 0.465 nan 8.310 nan 0.000 0.497 212 P HA -0.119 nan 4.420 nan 0.000 0.205 212 P C 0.296 177.564 177.300 -0.054 0.000 1.193 212 P CA 0.918 63.924 63.100 -0.156 0.000 0.929 212 P CB -0.387 31.246 31.700 -0.112 0.000 0.772 213 I N 1.087 121.669 120.570 0.019 0.000 2.581 213 I HA 0.091 4.222 4.170 -0.065 0.000 0.285 213 I C 0.796 176.941 176.117 0.048 0.000 1.129 213 I CA -0.568 60.767 61.300 0.059 0.000 1.397 213 I CB -1.608 36.459 38.000 0.113 0.000 1.399 213 I HN -0.034 nan 8.210 nan 0.000 0.537 214 T N 2.753 117.321 114.554 0.023 0.000 2.872 214 T HA 0.291 4.602 4.350 -0.065 0.000 0.292 214 T C 1.002 175.720 174.700 0.031 0.000 1.036 214 T CA 0.141 62.247 62.100 0.011 0.000 1.136 214 T CB 0.515 69.389 68.868 0.010 0.000 1.052 214 T HN 1.252 nan 8.240 nan 0.000 0.512 215 G N 2.186 110.996 108.800 0.017 0.000 4.554 215 G HA2 0.020 3.941 3.960 -0.065 0.000 0.210 215 G HA3 0.020 3.941 3.960 -0.065 0.000 0.210 215 G C 0.154 175.045 174.900 -0.016 0.000 0.674 215 G CA -0.565 44.526 45.100 -0.015 0.000 0.801 215 G HN 0.789 nan 8.290 nan 0.000 0.555 216 N N 1.014 119.717 118.700 0.004 0.000 2.340 216 N HA 0.101 4.802 4.740 -0.065 0.000 0.236 216 N C -0.556 174.953 175.510 -0.001 0.000 1.296 216 N CA 0.251 53.304 53.050 0.006 0.000 0.896 216 N CB 0.572 39.071 38.487 0.020 0.000 1.127 216 N HN 0.084 nan 8.380 nan 0.000 0.442 217 D N 0.954 121.355 120.400 0.001 0.000 2.362 217 D HA 0.170 4.771 4.640 -0.065 0.000 0.238 217 D C 0.229 176.536 176.300 0.013 0.000 1.212 217 D CA 0.338 54.340 54.000 0.002 0.000 0.902 217 D CB 0.750 41.552 40.800 0.004 0.000 1.180 217 D HN 0.249 nan 8.370 nan 0.000 0.445 218 L N 0.037 121.272 121.223 0.020 0.000 2.304 218 L HA 0.415 4.716 4.340 -0.065 0.000 0.268 218 L C 0.403 177.266 176.870 -0.012 0.000 1.010 218 L CA -0.812 54.039 54.840 0.019 0.000 0.813 218 L CB 1.560 43.650 42.059 0.050 0.000 1.315 218 L HN 0.387 nan 8.230 nan 0.000 0.445 219 S N -0.287 115.387 115.700 -0.044 0.000 2.565 219 S HA 0.565 4.996 4.470 -0.065 0.000 0.290 219 S C -2.678 171.838 174.600 -0.139 0.000 1.150 219 S CA -1.713 56.450 58.200 -0.063 0.000 1.058 219 S CB 1.175 64.353 63.200 -0.036 0.000 1.032 219 S HN 0.275 nan 8.310 nan 0.000 0.510 220 P HA 0.121 nan 4.420 nan 0.000 0.258 220 P C -2.371 174.828 177.300 -0.168 0.000 1.172 220 P CA -0.556 62.455 63.100 -0.148 0.000 0.762 220 P CB -0.591 31.065 31.700 -0.074 0.000 0.764 221 P HA -0.063 nan 4.420 nan 0.000 0.257 221 P C -0.233 177.089 177.300 0.038 0.000 1.189 221 P CA 0.452 63.439 63.100 -0.189 0.000 0.780 221 P CB 0.063 31.561 31.700 -0.337 0.000 0.772 222 V N 0.867 120.842 119.914 0.102 0.000 2.732 222 V HA 0.519 4.600 4.120 -0.065 0.000 0.310 222 V C 0.516 176.739 176.094 0.216 0.000 1.053 222 V CA -1.075 61.322 62.300 0.160 0.000 0.957 222 V CB 1.561 33.435 31.823 0.086 0.000 1.018 222 V HN 0.468 nan 8.190 nan 0.000 0.452 223 S N 2.479 118.273 115.700 0.156 0.000 2.549 223 S HA 0.475 4.906 4.470 -0.065 0.000 0.283 223 S C -0.856 173.775 174.600 0.051 0.000 1.320 223 S CA -0.214 57.967 58.200 -0.031 0.000 1.058 223 S CB -0.255 62.880 63.200 -0.109 0.000 0.882 223 S HN 0.886 nan 8.310 nan 0.000 0.498 224 F N 5.856 125.709 119.950 -0.162 0.000 2.496 224 F HA 0.450 4.938 4.527 -0.065 0.000 0.341 224 F C -0.363 175.343 175.800 -0.156 0.000 1.134 224 F CA -1.083 56.842 58.000 -0.125 0.000 0.968 224 F CB 0.814 39.761 39.000 -0.088 0.000 1.205 224 F HN 0.576 nan 8.300 nan 0.000 0.436 225 N N 5.016 123.292 118.700 -0.708 0.000 2.468 225 N HA 0.128 4.829 4.740 -0.065 0.000 0.265 225 N C 0.494 175.452 175.510 -0.920 0.000 1.199 225 N CA 0.231 52.872 53.050 -0.683 0.000 0.928 225 N CB 0.716 38.846 38.487 -0.595 0.000 1.059 225 N HN 0.801 nan 8.380 nan 0.000 0.467 226 L N 2.581 123.484 121.223 -0.533 0.000 2.627 226 L HA 0.196 4.497 4.340 -0.065 0.000 0.232 226 L C 0.458 177.127 176.870 -0.334 0.000 1.150 226 L CA 0.154 54.755 54.840 -0.399 0.000 0.917 226 L CB -0.338 41.654 42.059 -0.113 0.000 1.104 226 L HN 0.464 nan 8.230 nan 0.000 0.445 227 M N -0.298 119.097 119.600 -0.342 0.000 2.277 227 M HA 0.270 4.711 4.480 -0.065 0.000 0.350 227 M C -0.645 175.581 176.300 -0.123 0.000 1.180 227 M CA -0.461 54.747 55.300 -0.153 0.000 1.103 227 M CB 1.306 33.791 32.600 -0.192 0.000 1.577 227 M HN -0.144 nan 8.290 nan 0.000 0.459 228 F N 2.999 122.983 119.950 0.058 0.000 2.471 228 F HA 0.205 4.700 4.527 -0.054 0.000 0.365 228 F C 0.577 176.383 175.800 0.010 0.000 1.095 228 F CA -0.063 57.943 58.000 0.010 0.000 1.174 228 F CB 0.232 39.185 39.000 -0.077 0.000 1.105 228 F HN 0.364 nan 8.300 nan 0.000 0.535 229 K N 2.019 122.467 120.400 0.080 0.000 2.185 229 K HA 0.562 4.843 4.320 -0.065 0.000 0.271 229 K C 0.160 176.612 176.600 -0.246 0.000 1.013 229 K CA -0.467 55.703 56.287 -0.194 0.000 0.943 229 K CB 1.479 33.854 32.500 -0.208 0.000 0.998 229 K HN 0.622 nan 8.250 nan 0.000 0.468 230 T N 0.988 115.259 114.554 -0.472 0.000 2.718 230 T HA 0.526 4.837 4.350 -0.065 0.000 0.306 230 T C -1.942 172.396 174.700 -0.604 0.000 1.485 230 T CA -0.770 61.106 62.100 -0.373 0.000 0.997 230 T CB 0.516 69.268 68.868 -0.193 0.000 1.504 230 T HN 0.316 nan 8.240 nan 0.000 0.497 231 F N 1.950 121.834 119.950 -0.109 0.000 2.445 231 F HA 0.564 5.052 4.527 -0.064 0.000 0.348 231 F C 0.311 176.065 175.800 -0.076 0.000 1.125 231 F CA -0.840 57.104 58.000 -0.095 0.000 0.983 231 F CB 1.276 40.232 39.000 -0.073 0.000 1.198 231 F HN 0.355 nan 8.300 nan 0.000 0.436 232 I N 4.405 125.015 120.570 0.066 0.000 2.227 232 I HA 0.541 4.672 4.170 -0.065 0.000 0.297 232 I C 0.686 176.831 176.117 0.046 0.000 1.173 232 I CA 0.085 61.403 61.300 0.029 0.000 1.356 232 I CB -0.616 37.380 38.000 -0.006 0.000 1.485 232 I HN 0.780 nan 8.210 nan 0.000 0.604 233 G N 6.359 115.187 108.800 0.047 0.000 2.347 233 G HA2 0.024 3.945 3.960 -0.065 0.000 0.341 233 G HA3 0.024 3.945 3.960 -0.065 0.000 0.341 233 G C -3.131 171.778 174.900 0.015 0.000 1.287 233 G CA -1.031 44.085 45.100 0.026 0.000 0.984 233 G HN 0.329 nan 8.290 nan 0.000 0.526 234 P HA 0.594 nan 4.420 nan 0.000 0.284 234 P C 1.007 178.277 177.300 -0.050 0.000 1.253 234 P CA 1.390 64.472 63.100 -0.028 0.000 0.800 234 P CB 1.140 32.825 31.700 -0.024 0.000 0.961 235 G N 1.751 110.496 108.800 -0.092 0.000 2.742 235 G HA2 0.079 4.000 3.960 -0.065 0.000 0.255 235 G HA3 0.079 4.000 3.960 -0.065 0.000 0.255 235 G C 0.176 174.928 174.900 -0.246 0.000 1.322 235 G CA 0.311 45.331 45.100 -0.133 0.000 0.967 235 G HN 1.194 nan 8.290 nan 0.000 0.556 236 G N -1.062 107.625 108.800 -0.188 0.000 4.890 236 G HA2 0.434 4.355 3.960 -0.065 0.000 0.225 236 G HA3 0.434 4.355 3.960 -0.065 0.000 0.225 236 G C 0.043 174.952 174.900 0.015 0.000 2.100 236 G CA 0.949 45.896 45.100 -0.254 0.000 0.773 236 G HN 0.671 nan 8.290 nan 0.000 0.279 237 N N 0.285 119.014 118.700 0.050 0.000 2.220 237 N HA 0.229 4.930 4.740 -0.065 0.000 0.195 237 N C 0.761 176.318 175.510 0.078 0.000 1.123 237 N CA 0.107 53.192 53.050 0.058 0.000 0.874 237 N CB 0.512 39.012 38.487 0.022 0.000 0.995 237 N HN 0.471 nan 8.380 nan 0.000 0.498 238 M N 1.914 121.582 119.600 0.113 0.000 2.634 238 M HA 0.336 4.777 4.480 -0.065 0.000 0.211 238 M C -2.729 173.611 176.300 0.067 0.000 1.019 238 M CA -1.824 53.519 55.300 0.073 0.000 0.834 238 M CB 1.175 33.802 32.600 0.045 0.000 1.376 238 M HN -0.267 nan 8.290 nan 0.000 0.465 239 P HA 0.227 nan 4.420 nan 0.000 0.266 239 P C -0.217 176.860 177.300 -0.372 0.000 1.215 239 P CA 0.358 63.264 63.100 -0.323 0.000 0.763 239 P CB 0.925 32.426 31.700 -0.331 0.000 0.806 240 G N 2.338 110.856 108.800 -0.469 0.000 2.735 240 G HA2 0.663 4.584 3.960 -0.065 0.000 0.301 240 G HA3 0.663 4.584 3.960 -0.065 0.000 0.301 240 G C -1.847 172.717 174.900 -0.560 0.000 1.279 240 G CA -0.644 44.248 45.100 -0.346 0.000 1.019 240 G HN 0.378 nan 8.290 nan 0.000 0.497 241 Y N -1.317 118.942 120.300 -0.068 0.000 2.512 241 Y HA 0.451 4.960 4.550 -0.069 0.000 0.348 241 Y C -0.361 175.515 175.900 -0.039 0.000 0.990 241 Y CA -0.847 57.226 58.100 -0.045 0.000 1.033 241 Y CB 2.398 40.855 38.460 -0.006 0.000 1.259 241 Y HN 0.261 nan 8.280 nan 0.000 0.461 242 L N 3.905 125.205 121.223 0.130 0.000 2.361 242 L HA 0.295 4.596 4.340 -0.065 0.000 0.278 242 L C 0.371 177.357 176.870 0.193 0.000 1.113 242 L CA -0.293 54.557 54.840 0.018 0.000 0.849 242 L CB 0.309 42.183 42.059 -0.309 0.000 1.155 242 L HN 0.553 nan 8.230 nan 0.000 0.452 243 R N 5.502 126.117 120.500 0.192 0.000 2.504 243 R HA 0.010 4.311 4.340 -0.065 0.000 0.291 243 R C -1.963 174.444 176.300 0.177 0.000 0.974 243 R CA -0.662 55.534 56.100 0.160 0.000 1.077 243 R CB -0.041 30.323 30.300 0.108 0.000 0.926 243 R HN 0.417 nan 8.270 nan 0.000 0.407 244 P HA -0.037 nan 4.420 nan 0.000 0.245 244 P C -0.467 176.854 177.300 0.036 0.000 1.203 244 P CA 0.902 64.051 63.100 0.082 0.000 0.792 244 P CB 0.356 32.071 31.700 0.024 0.000 0.997 245 E N -1.846 118.360 120.200 0.011 0.000 2.401 245 E HA 0.176 4.487 4.350 -0.065 0.000 0.280 245 E C -0.714 175.875 176.600 -0.017 0.000 1.039 245 E CA -0.301 56.097 56.400 -0.002 0.000 0.814 245 E CB 0.798 30.495 29.700 -0.005 0.000 1.275 245 E HN -0.397 nan 8.360 nan 0.000 0.448 246 T N 1.203 115.733 114.554 -0.041 0.000 3.051 246 T HA 0.164 4.475 4.350 -0.065 0.000 0.255 246 T C 1.454 176.101 174.700 -0.088 0.000 1.085 246 T CA 1.055 63.118 62.100 -0.063 0.000 1.109 246 T CB -0.009 68.808 68.868 -0.084 0.000 0.921 246 T HN 0.517 nan 8.240 nan 0.000 0.488 247 A N 1.337 124.095 122.820 -0.103 0.000 1.972 247 A HA -0.173 4.108 4.320 -0.065 0.000 0.219 247 A C 2.176 179.542 177.584 -0.363 0.000 1.169 247 A CA 1.765 53.654 52.037 -0.246 0.000 0.635 247 A CB -0.583 18.319 19.000 -0.164 0.000 0.810 247 A HN 0.547 nan 8.150 nan 0.000 0.446 248 Q N -0.577 119.198 119.800 -0.042 0.000 2.124 248 Q HA -0.096 4.205 4.340 -0.065 0.000 0.202 248 Q C 2.003 178.015 176.000 0.019 0.000 0.977 248 Q CA 1.574 57.475 55.803 0.162 0.000 0.850 248 Q CB -0.555 28.324 28.738 0.234 0.000 0.901 248 Q HN 0.559 nan 8.270 nan 0.000 0.429 249 G N 0.885 109.661 108.800 -0.038 0.000 2.450 249 G HA2 -0.219 3.702 3.960 -0.065 0.000 0.220 249 G HA3 -0.219 3.702 3.960 -0.065 0.000 0.220 249 G C 1.351 176.230 174.900 -0.034 0.000 1.130 249 G CA 0.846 45.923 45.100 -0.037 0.000 0.760 249 G HN 0.383 nan 8.290 nan 0.000 0.557 250 I N -0.277 120.233 120.570 -0.101 0.000 2.286 250 I HA -0.059 4.072 4.170 -0.065 0.000 0.245 250 I C 2.348 178.526 176.117 0.103 0.000 1.104 250 I CA 0.570 61.843 61.300 -0.045 0.000 1.397 250 I CB -0.257 37.660 38.000 -0.138 0.000 1.072 250 I HN 0.031 nan 8.210 nan 0.000 0.417 251 F N 1.171 121.242 119.950 0.200 0.000 2.069 251 F HA -0.195 4.298 4.527 -0.058 0.000 0.298 251 F C 2.330 178.199 175.800 0.115 0.000 1.113 251 F CA 1.296 59.425 58.000 0.214 0.000 1.214 251 F CB -1.244 37.880 39.000 0.206 0.000 0.978 251 F HN -0.055 nan 8.300 nan 0.000 0.474 252 L N -0.296 121.022 121.223 0.158 0.000 2.349 252 L HA -0.211 4.090 4.340 -0.065 0.000 0.220 252 L C 1.152 178.073 176.870 0.085 0.000 1.130 252 L CA 1.075 55.933 54.840 0.030 0.000 0.791 252 L CB -0.582 41.424 42.059 -0.088 0.000 0.918 252 L HN 0.210 nan 8.230 nan 0.000 0.444 253 N N -1.074 117.701 118.700 0.125 0.000 2.273 253 N HA 0.027 4.728 4.740 -0.065 0.000 0.231 253 N C 1.186 176.779 175.510 0.138 0.000 1.134 253 N CA -0.033 53.075 53.050 0.096 0.000 0.856 253 N CB 0.462 38.979 38.487 0.049 0.000 1.068 253 N HN 0.184 nan 8.380 nan 0.000 0.510 254 F N 2.193 122.179 119.950 0.059 0.000 2.134 254 F HA -0.082 4.404 4.527 -0.068 0.000 0.299 254 F C 2.028 177.825 175.800 -0.005 0.000 1.097 254 F CA 1.524 59.543 58.000 0.031 0.000 1.264 254 F CB 0.305 39.305 39.000 -0.001 0.000 1.001 254 F HN -0.109 nan 8.300 nan 0.000 0.479 255 K N 0.077 120.482 120.400 0.009 0.000 2.025 255 K HA -0.131 4.150 4.320 -0.065 0.000 0.207 255 K C 2.152 178.665 176.600 -0.144 0.000 1.049 255 K CA 1.642 57.877 56.287 -0.087 0.000 0.933 255 K CB -0.210 32.308 32.500 0.030 0.000 0.714 255 K HN 0.301 nan 8.250 nan 0.000 0.438 256 R N 0.509 120.961 120.500 -0.081 0.000 2.096 256 R HA -0.093 4.208 4.340 -0.065 0.000 0.235 256 R C 2.152 178.384 176.300 -0.113 0.000 1.127 256 R CA 0.908 56.966 56.100 -0.069 0.000 0.968 256 R CB -0.468 29.809 30.300 -0.038 0.000 0.861 256 R HN 0.053 nan 8.270 nan 0.000 0.440 257 L N 0.783 121.896 121.223 -0.184 0.000 2.093 257 L HA -0.102 4.199 4.340 -0.065 0.000 0.208 257 L C 2.243 178.746 176.870 -0.612 0.000 1.085 257 L CA 1.188 55.857 54.840 -0.285 0.000 0.755 257 L CB -0.765 41.210 42.059 -0.140 0.000 0.904 257 L HN 0.131 nan 8.230 nan 0.000 0.435 258 L N -0.531 120.260 121.223 -0.721 0.000 2.027 258 L HA -0.161 4.140 4.340 -0.065 0.000 0.206 258 L C 2.411 179.032 176.870 -0.415 0.000 1.074 258 L CA 1.649 56.026 54.840 -0.772 0.000 0.745 258 L CB -0.539 41.086 42.059 -0.724 0.000 0.898 258 L HN 0.318 nan 8.230 nan 0.000 0.433 259 E N -1.327 118.720 120.200 -0.255 0.000 2.110 259 E HA -0.270 4.041 4.350 -0.065 0.000 0.193 259 E C 2.060 178.589 176.600 -0.117 0.000 0.988 259 E CA 1.413 57.727 56.400 -0.143 0.000 0.804 259 E CB -0.287 29.366 29.700 -0.078 0.000 0.745 259 E HN 0.519 nan 8.360 nan 0.000 0.458 260 F N 1.826 121.630 119.950 -0.243 0.000 2.186 260 F HA -0.119 4.373 4.527 -0.058 0.000 0.299 260 F C 1.779 177.449 175.800 -0.218 0.000 1.090 260 F CA 1.202 59.084 58.000 -0.198 0.000 1.307 260 F CB 0.064 38.954 39.000 -0.183 0.000 1.019 260 F HN -0.110 nan 8.300 nan 0.000 0.489 261 N N 0.715 119.283 118.700 -0.219 0.000 2.370 261 N HA -0.022 4.679 4.740 -0.065 0.000 0.198 261 N C -0.108 175.264 175.510 -0.230 0.000 1.156 261 N CA 0.443 53.333 53.050 -0.267 0.000 0.839 261 N CB -0.251 37.986 38.487 -0.417 0.000 0.989 261 N HN 0.401 nan 8.380 nan 0.000 0.468 262 Q N -2.597 117.069 119.800 -0.223 0.000 2.460 262 Q HA -0.212 4.089 4.340 -0.065 0.000 0.248 262 Q C 0.750 176.679 176.000 -0.119 0.000 0.847 262 Q CA 0.553 56.260 55.803 -0.161 0.000 1.214 262 Q CB -2.295 26.356 28.738 -0.146 0.000 1.523 262 Q HN 0.429 nan 8.270 nan 0.000 0.602 263 G N -0.027 108.686 108.800 -0.146 0.000 2.159 263 G HA2 -0.327 3.593 3.960 -0.065 0.000 0.256 263 G HA3 -0.327 3.593 3.960 -0.065 0.000 0.256 263 G C 0.101 174.982 174.900 -0.032 0.000 0.977 263 G CA 0.656 45.701 45.100 -0.092 0.000 0.652 263 G HN 0.309 nan 8.290 nan 0.000 0.531 264 K N -0.515 119.863 120.400 -0.035 0.000 2.126 264 K HA 0.684 4.965 4.320 -0.065 0.000 0.257 264 K C 0.383 177.054 176.600 0.119 0.000 1.007 264 K CA -0.494 55.810 56.287 0.029 0.000 0.928 264 K CB 1.175 33.682 32.500 0.012 0.000 1.013 264 K HN 0.091 nan 8.250 nan 0.000 0.473 265 L N 3.269 124.575 121.223 0.139 0.000 2.725 265 L HA 0.264 4.565 4.340 -0.065 0.000 0.270 265 L C -2.479 174.474 176.870 0.138 0.000 1.422 265 L CA -1.285 53.675 54.840 0.200 0.000 0.770 265 L CB 1.390 43.564 42.059 0.191 0.000 1.081 265 L HN 0.453 nan 8.230 nan 0.000 0.527 266 P HA 0.447 nan 4.420 nan 0.000 0.305 266 P C -1.190 176.200 177.300 0.151 0.000 1.475 266 P CA -0.387 62.744 63.100 0.051 0.000 1.082 266 P CB 1.287 33.012 31.700 0.043 0.000 1.029 267 F N 0.817 120.765 119.950 -0.002 0.000 2.601 267 F HA 0.892 5.378 4.527 -0.068 0.000 0.309 267 F C -1.579 174.317 175.800 0.160 0.000 1.089 267 F CA -1.462 56.593 58.000 0.092 0.000 0.940 267 F CB 1.400 40.462 39.000 0.102 0.000 1.273 267 F HN 0.405 nan 8.300 nan 0.000 0.450 268 A N 2.238 125.260 122.820 0.337 0.000 2.337 268 A HA 0.952 5.233 4.320 -0.065 0.000 0.329 268 A C -1.063 176.748 177.584 0.379 0.000 1.146 268 A CA -0.370 51.834 52.037 0.277 0.000 0.800 268 A CB 0.966 20.210 19.000 0.407 0.000 1.220 268 A HN 1.738 nan 8.150 nan 0.000 0.472 269 A N 0.902 123.897 122.820 0.291 0.000 2.371 269 A HA 0.871 5.152 4.320 -0.065 0.000 0.311 269 A C -0.146 177.535 177.584 0.162 0.000 1.068 269 A CA 0.108 52.317 52.037 0.286 0.000 0.744 269 A CB 1.240 20.480 19.000 0.400 0.000 1.239 269 A HN 2.297 nan 8.150 nan 0.000 0.435 270 A N 1.339 124.251 122.820 0.152 0.000 2.430 270 A HA 0.900 5.181 4.320 -0.065 0.000 0.300 270 A C -0.673 176.964 177.584 0.088 0.000 1.124 270 A CA -0.618 51.509 52.037 0.151 0.000 0.766 270 A CB 1.717 20.881 19.000 0.274 0.000 1.328 270 A HN 1.028 nan 8.150 nan 0.000 0.424 271 Q N 0.495 120.320 119.800 0.042 0.000 2.313 271 Q HA 0.568 4.869 4.340 -0.065 0.000 0.260 271 Q C -2.198 173.738 176.000 -0.108 0.000 0.972 271 Q CA -0.344 55.445 55.803 -0.024 0.000 0.886 271 Q CB 1.544 30.256 28.738 -0.042 0.000 1.373 271 Q HN 0.692 nan 8.270 nan 0.000 0.416 272 I N 3.418 123.912 120.570 -0.127 0.000 2.359 272 I HA 0.770 4.901 4.170 -0.065 0.000 0.284 272 I C 0.267 176.285 176.117 -0.165 0.000 1.018 272 I CA -0.490 60.679 61.300 -0.219 0.000 1.173 272 I CB 1.541 39.394 38.000 -0.246 0.000 1.326 272 I HN 0.704 nan 8.210 nan 0.000 0.462 273 G N 4.222 112.914 108.800 -0.179 0.000 2.606 273 G HA2 0.348 4.269 3.960 -0.065 0.000 0.300 273 G HA3 0.348 4.269 3.960 -0.065 0.000 0.300 273 G C -1.593 173.174 174.900 -0.222 0.000 1.360 273 G CA -0.688 44.314 45.100 -0.163 0.000 0.783 273 G HN 0.365 nan 8.290 nan 0.000 0.484 274 N N -0.029 118.514 118.700 -0.262 0.000 2.498 274 N HA 0.705 5.406 4.740 -0.065 0.000 0.287 274 N C -0.344 174.779 175.510 -0.645 0.000 1.097 274 N CA -0.109 52.656 53.050 -0.475 0.000 0.973 274 N CB 1.697 39.880 38.487 -0.507 0.000 1.153 274 N HN 0.389 nan 8.380 nan 0.000 0.472 275 S N 0.556 115.656 115.700 -1.000 0.000 2.634 275 S HA 0.684 5.115 4.470 -0.065 0.000 0.296 275 S C -1.185 172.629 174.600 -1.310 0.000 1.104 275 S CA -0.570 57.074 58.200 -0.926 0.000 0.920 275 S CB 0.875 63.702 63.200 -0.622 0.000 1.111 275 S HN 0.326 nan 8.310 nan 0.000 0.493 276 F N 1.165 120.935 119.950 -0.299 0.000 2.529 276 F HA 0.575 5.059 4.527 -0.071 0.000 0.320 276 F C 0.327 176.262 175.800 0.225 0.000 1.118 276 F CA -0.742 57.244 58.000 -0.024 0.000 0.915 276 F CB 1.551 40.587 39.000 0.060 0.000 1.161 276 F HN 0.191 nan 8.300 nan 0.000 0.445 277 R N 1.531 122.348 120.500 0.527 0.000 2.468 277 R HA 0.184 4.485 4.340 -0.065 0.000 0.302 277 R C -0.675 175.791 176.300 0.276 0.000 1.041 277 R CA -0.573 55.748 56.100 0.367 0.000 0.899 277 R CB 1.595 32.120 30.300 0.374 0.000 1.167 277 R HN 0.683 nan 8.270 nan 0.000 0.483 278 N N 3.325 121.941 118.700 -0.139 0.000 2.670 278 N HA -0.052 4.649 4.740 -0.065 0.000 0.296 278 N C -0.467 175.049 175.510 0.011 0.000 1.216 278 N CA -0.043 52.769 53.050 -0.397 0.000 1.123 278 N CB 0.545 38.455 38.487 -0.963 0.000 1.459 278 N HN 0.358 nan 8.380 nan 0.000 0.509 279 E N 2.088 122.361 120.200 0.121 0.000 2.413 279 E HA -0.039 4.272 4.350 -0.065 0.000 0.263 279 E C 1.503 178.165 176.600 0.104 0.000 1.015 279 E CA 0.003 56.478 56.400 0.126 0.000 0.916 279 E CB 1.272 31.039 29.700 0.112 0.000 0.947 279 E HN 0.513 nan 8.360 nan 0.000 0.440 280 I N 0.722 121.337 120.570 0.075 0.000 2.113 280 I HA -0.211 3.920 4.170 -0.065 0.000 0.238 280 I C 1.383 177.455 176.117 -0.075 0.000 1.070 280 I CA 1.177 62.449 61.300 -0.047 0.000 1.332 280 I CB 0.060 38.016 38.000 -0.073 0.000 1.044 280 I HN 0.214 nan 8.210 nan 0.000 0.402 281 S N 1.184 116.853 115.700 -0.051 0.000 2.488 281 S HA 0.295 4.726 4.470 -0.065 0.000 0.151 281 S C -2.517 172.059 174.600 -0.039 0.000 1.401 281 S CA -1.173 56.989 58.200 -0.063 0.000 1.221 281 S CB 0.354 63.489 63.200 -0.108 0.000 1.407 281 S HN -0.028 nan 8.310 nan 0.000 0.406 282 P HA 0.373 nan 4.420 nan 0.000 0.271 282 P C -0.377 176.937 177.300 0.022 0.000 1.226 282 P CA -0.277 62.831 63.100 0.014 0.000 0.765 282 P CB 0.520 32.255 31.700 0.059 0.000 0.835 283 R N 1.997 122.506 120.500 0.016 0.000 2.522 283 R HA 0.144 4.445 4.340 -0.065 0.000 0.418 283 R C -0.281 176.061 176.300 0.070 0.000 0.973 283 R CA 0.049 56.179 56.100 0.049 0.000 1.096 283 R CB 0.039 30.362 30.300 0.038 0.000 1.449 283 R HN 0.580 nan 8.270 nan 0.000 0.622 284 S N -1.944 113.766 115.700 0.016 0.000 2.794 284 S HA 0.374 4.805 4.470 -0.065 0.000 0.244 284 S C 0.772 175.200 174.600 -0.286 0.000 1.045 284 S CA 0.020 58.177 58.200 -0.072 0.000 1.114 284 S CB 0.933 64.005 63.200 -0.215 0.000 1.085 284 S HN 0.542 nan 8.310 nan 0.000 0.488 285 G N 2.709 111.466 108.800 -0.071 0.000 2.583 285 G HA2 -0.320 3.601 3.960 -0.065 0.000 0.292 285 G HA3 -0.320 3.601 3.960 -0.065 0.000 0.292 285 G C 0.478 175.128 174.900 -0.417 0.000 1.203 285 G CA 0.333 45.308 45.100 -0.209 0.000 0.987 285 G HN 0.690 nan 8.290 nan 0.000 0.554 286 L N 1.528 122.323 121.223 -0.715 0.000 2.599 286 L HA 0.134 4.435 4.340 -0.065 0.000 0.230 286 L C 2.706 179.307 176.870 -0.448 0.000 1.141 286 L CA -0.199 54.278 54.840 -0.606 0.000 0.877 286 L CB -0.391 41.275 42.059 -0.656 0.000 1.009 286 L HN 0.426 nan 8.230 nan 0.000 0.447 287 I N 0.180 120.422 120.570 -0.546 0.000 2.110 287 I HA -0.167 3.964 4.170 -0.065 0.000 0.236 287 I C 1.239 177.185 176.117 -0.285 0.000 1.068 287 I CA 1.282 62.317 61.300 -0.441 0.000 1.333 287 I CB -0.714 36.933 38.000 -0.587 0.000 1.054 287 I HN 0.182 nan 8.210 nan 0.000 0.402 288 R N 1.307 121.676 120.500 -0.219 0.000 2.233 288 R HA 0.452 4.753 4.340 -0.065 0.000 0.334 288 R C -0.681 175.616 176.300 -0.006 0.000 1.037 288 R CA -0.189 55.846 56.100 -0.108 0.000 0.920 288 R CB 1.028 31.284 30.300 -0.075 0.000 1.137 288 R HN 0.153 nan 8.270 nan 0.000 0.492 289 V N -0.250 119.683 119.914 0.033 0.000 3.074 289 V HA 0.488 4.569 4.120 -0.065 0.000 0.314 289 V C 0.683 176.960 176.094 0.305 0.000 1.117 289 V CA -1.169 61.241 62.300 0.184 0.000 1.014 289 V CB 2.521 34.476 31.823 0.220 0.000 1.057 289 V HN 0.638 nan 8.190 nan 0.000 0.438 290 R N -0.209 120.491 120.500 0.333 0.000 2.265 290 R HA 0.362 4.663 4.340 -0.065 0.000 0.194 290 R C 0.401 176.921 176.300 0.367 0.000 0.931 290 R CA 0.343 56.694 56.100 0.417 0.000 1.032 290 R CB 0.555 31.121 30.300 0.442 0.000 0.980 290 R HN 0.875 nan 8.270 nan 0.000 0.497 291 E N 0.530 120.879 120.200 0.248 0.000 2.263 291 E HA 0.302 4.613 4.350 -0.065 0.000 0.268 291 E C -1.608 175.016 176.600 0.041 0.000 0.884 291 E CA -0.717 55.638 56.400 -0.074 0.000 0.766 291 E CB 1.336 31.010 29.700 -0.044 0.000 1.196 291 E HN -0.054 nan 8.360 nan 0.000 0.416 292 F N -0.530 119.304 119.950 -0.193 0.000 2.641 292 F HA 0.462 4.963 4.527 -0.044 0.000 0.308 292 F C -0.777 174.901 175.800 -0.204 0.000 1.105 292 F CA -1.029 56.892 58.000 -0.132 0.000 0.964 292 F CB 1.155 40.103 39.000 -0.087 0.000 1.294 292 F HN 0.022 nan 8.300 nan 0.000 0.442 293 T N 3.675 118.219 114.554 -0.016 0.000 2.869 293 T HA 0.522 4.833 4.350 -0.065 0.000 0.295 293 T C -0.552 174.124 174.700 -0.040 0.000 0.987 293 T CA -0.197 61.828 62.100 -0.125 0.000 1.109 293 T CB 0.915 69.678 68.868 -0.174 0.000 0.932 293 T HN 0.765 nan 8.240 nan 0.000 0.518 294 M N 2.484 122.018 119.600 -0.111 0.000 2.457 294 M HA 0.660 5.101 4.480 -0.065 0.000 0.300 294 M C -1.508 174.648 176.300 -0.239 0.000 1.141 294 M CA -0.816 54.436 55.300 -0.081 0.000 0.901 294 M CB 1.698 34.326 32.600 0.047 0.000 1.687 294 M HN 0.665 nan 8.290 nan 0.000 0.449 295 A N 3.945 126.563 122.820 -0.338 0.000 2.287 295 A HA 0.688 4.969 4.320 -0.065 0.000 0.317 295 A C -1.074 176.383 177.584 -0.212 0.000 1.220 295 A CA -0.524 51.133 52.037 -0.633 0.000 0.835 295 A CB 0.761 18.736 19.000 -1.708 0.000 1.180 295 A HN 0.775 nan 8.150 nan 0.000 0.500 296 E N 2.042 122.173 120.200 -0.115 0.000 2.199 296 E HA 0.551 4.862 4.350 -0.065 0.000 0.269 296 E C -1.218 175.441 176.600 0.098 0.000 0.899 296 E CA -0.356 56.057 56.400 0.022 0.000 0.772 296 E CB 2.325 31.994 29.700 -0.052 0.000 1.155 296 E HN 0.625 nan 8.360 nan 0.000 0.408 297 I N 2.042 122.662 120.570 0.083 0.000 2.465 297 I HA 0.181 4.312 4.170 -0.065 0.000 0.291 297 I C -0.229 175.808 176.117 -0.134 0.000 1.014 297 I CA -0.675 60.641 61.300 0.026 0.000 1.093 297 I CB 1.736 39.747 38.000 0.019 0.000 1.267 297 I HN 0.136 nan 8.210 nan 0.000 0.431 298 E N 4.961 125.058 120.200 -0.172 0.000 2.121 298 E HA 0.210 4.521 4.350 -0.065 0.000 0.255 298 E C -1.025 175.231 176.600 -0.574 0.000 0.906 298 E CA -0.575 55.569 56.400 -0.426 0.000 0.745 298 E CB 1.209 30.634 29.700 -0.458 0.000 1.155 298 E HN 0.438 nan 8.360 nan 0.000 0.424 299 H N 2.426 121.134 119.070 -0.602 0.000 2.604 299 H HA 0.286 4.802 4.556 -0.067 0.000 0.306 299 H C -1.084 173.909 175.328 -0.559 0.000 1.075 299 H CA -0.283 55.519 56.048 -0.409 0.000 1.357 299 H CB 0.126 29.772 29.762 -0.194 0.000 1.426 299 H HN 0.195 nan 8.280 nan 0.000 0.470 300 F N 5.628 125.190 119.950 -0.646 0.000 2.411 300 F HA 0.366 4.852 4.527 -0.068 0.000 0.352 300 F C -0.458 175.103 175.800 -0.399 0.000 1.123 300 F CA -0.788 56.923 58.000 -0.483 0.000 1.044 300 F CB 1.196 39.861 39.000 -0.559 0.000 1.135 300 F HN 0.319 nan 8.300 nan 0.000 0.461 301 V N -0.468 119.436 119.914 -0.016 0.000 2.823 301 V HA 0.476 4.557 4.120 -0.065 0.000 0.312 301 V C -0.674 175.471 176.094 0.086 0.000 1.072 301 V CA -1.027 61.301 62.300 0.047 0.000 0.937 301 V CB 1.955 33.857 31.823 0.132 0.000 1.013 301 V HN 0.594 nan 8.190 nan 0.000 0.430 302 D N 3.920 124.375 120.400 0.091 0.000 2.371 302 D HA 0.280 4.881 4.640 -0.065 0.000 0.256 302 D C -1.657 174.690 176.300 0.077 0.000 1.193 302 D CA -1.662 52.393 54.000 0.093 0.000 0.881 302 D CB 2.099 42.951 40.800 0.086 0.000 1.143 302 D HN 0.337 nan 8.370 nan 0.000 0.473 303 P HA -0.114 nan 4.420 nan 0.000 0.220 303 P C 1.064 178.395 177.300 0.052 0.000 1.144 303 P CA 0.882 64.021 63.100 0.066 0.000 0.800 303 P CB 0.370 32.112 31.700 0.070 0.000 0.772 304 S N -0.608 115.122 115.700 0.051 0.000 2.357 304 S HA -0.066 4.365 4.470 -0.065 0.000 0.221 304 S C 0.838 175.457 174.600 0.032 0.000 1.031 304 S CA 0.990 59.213 58.200 0.038 0.000 0.982 304 S CB -0.503 62.720 63.200 0.038 0.000 0.853 304 S HN 0.341 nan 8.310 nan 0.000 0.458 305 E N 1.352 121.574 120.200 0.037 0.000 2.069 305 E HA 0.191 4.502 4.350 -0.065 0.000 0.254 305 E C -0.447 176.174 176.600 0.034 0.000 1.088 305 E CA -0.148 56.269 56.400 0.028 0.000 1.017 305 E CB 0.482 30.198 29.700 0.025 0.000 1.226 305 E HN -0.017 nan 8.360 nan 0.000 0.458 306 K N 2.040 122.457 120.400 0.028 0.000 2.994 306 K HA 0.093 4.374 4.320 -0.065 0.000 0.231 306 K C -0.930 175.676 176.600 0.010 0.000 1.174 306 K CA -0.030 56.278 56.287 0.035 0.000 1.221 306 K CB -0.020 32.498 32.500 0.030 0.000 1.166 306 K HN 0.155 nan 8.250 nan 0.000 0.453 307 D N -0.145 120.256 120.400 0.002 0.000 2.498 307 D HA 0.095 4.696 4.640 -0.065 0.000 0.247 307 D C -1.144 175.151 176.300 -0.008 0.000 1.070 307 D CA -0.436 53.552 54.000 -0.019 0.000 0.842 307 D CB 1.124 41.908 40.800 -0.028 0.000 1.361 307 D HN 0.243 nan 8.370 nan 0.000 0.484 308 H N 2.929 121.951 119.070 -0.081 0.000 2.594 308 H HA 0.230 4.746 4.556 -0.066 0.000 0.304 308 H C -1.744 173.514 175.328 -0.117 0.000 1.068 308 H CA -1.794 54.178 56.048 -0.127 0.000 1.308 308 H CB 1.765 31.396 29.762 -0.220 0.000 1.409 308 H HN 0.055 nan 8.280 nan 0.000 0.460 309 P HA -0.059 nan 4.420 nan 0.000 0.225 309 P C 0.318 177.638 177.300 0.033 0.000 1.148 309 P CA 1.222 64.319 63.100 -0.005 0.000 0.779 309 P CB 0.351 32.012 31.700 -0.065 0.000 0.780 310 K N -2.280 118.156 120.400 0.061 0.000 2.399 310 K HA 0.152 4.433 4.320 -0.065 0.000 0.204 310 K C 1.118 177.653 176.600 -0.108 0.000 1.023 310 K CA -0.271 55.949 56.287 -0.112 0.000 1.127 310 K CB -0.301 32.018 32.500 -0.301 0.000 0.856 310 K HN 0.028 nan 8.250 nan 0.000 0.514 311 F N 2.375 122.245 119.950 -0.134 0.000 2.216 311 F HA -0.165 4.323 4.527 -0.066 0.000 0.300 311 F C 1.947 177.753 175.800 0.010 0.000 1.085 311 F CA 1.481 59.473 58.000 -0.013 0.000 1.326 311 F CB 0.258 39.247 39.000 -0.017 0.000 1.027 311 F HN 0.021 nan 8.300 nan 0.000 0.497 312 Q N 0.403 120.190 119.800 -0.021 0.000 2.364 312 Q HA -0.149 4.152 4.340 -0.065 0.000 0.209 312 Q C 1.495 177.403 176.000 -0.154 0.000 0.977 312 Q CA 0.925 56.668 55.803 -0.101 0.000 0.885 312 Q CB -0.727 28.010 28.738 -0.002 0.000 0.941 312 Q HN 0.494 nan 8.270 nan 0.000 0.464 313 N N -0.434 118.197 118.700 -0.115 0.000 2.512 313 N HA -0.055 4.646 4.740 -0.065 0.000 0.183 313 N C 1.318 176.735 175.510 -0.155 0.000 1.073 313 N CA 0.538 53.534 53.050 -0.090 0.000 0.911 313 N CB 0.408 38.885 38.487 -0.017 0.000 0.964 313 N HN 0.079 nan 8.380 nan 0.000 0.447 314 V N -0.707 119.029 119.914 -0.296 0.000 3.497 314 V HA 0.281 4.362 4.120 -0.065 0.000 0.272 314 V C 1.862 177.643 176.094 -0.523 0.000 1.474 314 V CA 0.408 62.490 62.300 -0.363 0.000 1.025 314 V CB 0.147 31.741 31.823 -0.382 0.000 0.820 314 V HN 0.094 nan 8.190 nan 0.000 0.437 315 A N -0.206 122.167 122.820 -0.745 0.000 2.131 315 A HA -0.248 4.033 4.320 -0.065 0.000 0.220 315 A C 1.781 179.158 177.584 -0.345 0.000 1.158 315 A CA 2.087 53.706 52.037 -0.697 0.000 0.665 315 A CB -0.300 18.372 19.000 -0.548 0.000 0.795 315 A HN 0.467 nan 8.150 nan 0.000 0.460 316 D N -0.799 119.444 120.400 -0.260 0.000 2.340 316 D HA 0.199 4.800 4.640 -0.065 0.000 0.217 316 D C 0.210 176.428 176.300 -0.138 0.000 1.081 316 D CA -0.047 53.856 54.000 -0.161 0.000 0.842 316 D CB -0.006 40.745 40.800 -0.082 0.000 0.934 316 D HN 0.375 nan 8.370 nan 0.000 0.511 317 L N 0.542 121.640 121.223 -0.208 0.000 2.436 317 L HA 0.180 4.481 4.340 -0.065 0.000 0.265 317 L C -0.102 176.579 176.870 -0.315 0.000 1.168 317 L CA -0.190 54.544 54.840 -0.177 0.000 0.815 317 L CB 0.659 42.582 42.059 -0.226 0.000 1.109 317 L HN -0.040 nan 8.230 nan 0.000 0.462 318 H N 3.001 121.920 119.070 -0.251 0.000 2.595 318 H HA 0.557 5.074 4.556 -0.065 0.000 0.313 318 H C -0.641 174.455 175.328 -0.387 0.000 1.023 318 H CA -0.399 55.489 56.048 -0.267 0.000 1.218 318 H CB 1.016 30.672 29.762 -0.178 0.000 1.403 318 H HN 0.350 nan 8.280 nan 0.000 0.477 319 L N -0.440 120.578 121.223 -0.342 0.000 2.393 319 L HA 0.605 4.906 4.340 -0.065 0.000 0.260 319 L C -1.285 175.494 176.870 -0.151 0.000 1.002 319 L CA -1.390 53.275 54.840 -0.292 0.000 0.818 319 L CB 1.768 43.564 42.059 -0.437 0.000 1.369 319 L HN 0.319 nan 8.230 nan 0.000 0.412 320 Y N 2.162 122.537 120.300 0.124 0.000 2.436 320 Y HA 0.498 5.009 4.550 -0.066 0.000 0.336 320 Y C 0.001 176.025 175.900 0.206 0.000 1.049 320 Y CA 0.001 58.188 58.100 0.145 0.000 1.294 320 Y CB 0.912 39.460 38.460 0.147 0.000 1.179 320 Y HN 0.318 nan 8.280 nan 0.000 0.520 321 L N 4.561 125.963 121.223 0.298 0.000 2.322 321 L HA 0.305 4.606 4.340 -0.065 0.000 0.281 321 L C -1.045 176.115 176.870 0.483 0.000 1.014 321 L CA -1.024 54.039 54.840 0.372 0.000 0.815 321 L CB 1.342 43.502 42.059 0.168 0.000 1.247 321 L HN 0.528 nan 8.230 nan 0.000 0.421 322 Y N 3.214 123.746 120.300 0.387 0.000 2.837 322 Y HA 0.259 4.770 4.550 -0.066 0.000 0.356 322 Y C 0.547 176.506 175.900 0.099 0.000 1.035 322 Y CA -1.418 56.786 58.100 0.173 0.000 1.165 322 Y CB 0.655 39.132 38.460 0.028 0.000 1.147 322 Y HN 0.659 nan 8.280 nan 0.000 0.628 323 S N 1.369 117.126 115.700 0.096 0.000 2.596 323 S HA 0.403 4.834 4.470 -0.065 0.000 0.260 323 S C 1.510 175.904 174.600 -0.343 0.000 1.336 323 S CA -0.097 58.025 58.200 -0.130 0.000 0.993 323 S CB 1.277 64.534 63.200 0.096 0.000 0.923 323 S HN 0.677 nan 8.310 nan 0.000 0.567 324 A N 1.413 124.026 122.820 -0.345 0.000 1.902 324 A HA -0.073 4.208 4.320 -0.065 0.000 0.217 324 A C 2.175 179.635 177.584 -0.206 0.000 1.181 324 A CA 1.545 53.407 52.037 -0.291 0.000 0.623 324 A CB -0.830 18.025 19.000 -0.241 0.000 0.818 324 A HN 0.902 nan 8.150 nan 0.000 0.443 325 K N -0.335 119.983 120.400 -0.136 0.000 2.211 325 K HA 0.046 4.327 4.320 -0.065 0.000 0.203 325 K C 2.053 178.607 176.600 -0.077 0.000 1.050 325 K CA 0.887 57.125 56.287 -0.082 0.000 0.945 325 K CB -0.227 32.251 32.500 -0.037 0.000 0.732 325 K HN 0.438 nan 8.250 nan 0.000 0.451 326 A N 1.051 123.812 122.820 -0.099 0.000 2.119 326 A HA -0.145 4.136 4.320 -0.065 0.000 0.217 326 A C 1.823 179.330 177.584 -0.129 0.000 1.153 326 A CA 1.022 53.023 52.037 -0.059 0.000 0.692 326 A CB -0.137 18.876 19.000 0.021 0.000 0.799 326 A HN 0.278 nan 8.150 nan 0.000 0.458 327 Q N -0.840 118.791 119.800 -0.282 0.000 2.165 327 Q HA 0.004 4.304 4.340 -0.065 0.000 0.197 327 Q C 1.996 177.924 176.000 -0.119 0.000 0.952 327 Q CA 1.094 56.734 55.803 -0.272 0.000 0.848 327 Q CB -0.126 28.368 28.738 -0.408 0.000 0.931 327 Q HN 0.440 nan 8.270 nan 0.000 0.470 328 V N 1.324 121.173 119.914 -0.108 0.000 2.343 328 V HA -0.179 3.902 4.120 -0.065 0.000 0.247 328 V C 1.600 177.673 176.094 -0.035 0.000 1.051 328 V CA 1.898 64.159 62.300 -0.065 0.000 1.036 328 V CB -0.351 31.435 31.823 -0.061 0.000 0.654 328 V HN 0.361 nan 8.190 nan 0.000 0.451 329 S N -0.125 115.559 115.700 -0.027 0.000 2.489 329 S HA 0.416 4.847 4.470 -0.065 0.000 0.237 329 S C 1.256 175.865 174.600 0.015 0.000 1.220 329 S CA 0.125 58.323 58.200 -0.004 0.000 1.231 329 S CB 0.072 63.272 63.200 0.000 0.000 0.900 329 S HN 0.863 nan 8.310 nan 0.000 0.492 330 G N 1.705 110.517 108.800 0.020 0.000 2.471 330 G HA2 -0.289 3.632 3.960 -0.065 0.000 0.301 330 G HA3 -0.289 3.632 3.960 -0.065 0.000 0.301 330 G C 0.124 175.069 174.900 0.074 0.000 0.902 330 G CA 0.648 45.778 45.100 0.050 0.000 1.002 330 G HN 0.695 nan 8.290 nan 0.000 0.509 331 Q N -0.707 119.148 119.800 0.091 0.000 2.308 331 Q HA 0.557 4.858 4.340 -0.065 0.000 0.207 331 Q C 0.479 176.586 176.000 0.179 0.000 1.035 331 Q CA -0.277 55.594 55.803 0.113 0.000 1.008 331 Q CB 0.700 29.501 28.738 0.105 0.000 1.168 331 Q HN 0.307 nan 8.270 nan 0.000 0.565 332 S N -0.275 115.513 115.700 0.147 0.000 2.681 332 S HA 0.549 4.980 4.470 -0.065 0.000 0.299 332 S C -0.723 173.954 174.600 0.128 0.000 1.113 332 S CA -0.840 57.419 58.200 0.098 0.000 1.013 332 S CB 1.485 64.712 63.200 0.045 0.000 1.076 332 S HN 0.660 nan 8.310 nan 0.000 0.534 333 A N 1.528 124.290 122.820 -0.096 0.000 2.540 333 A HA 0.347 4.628 4.320 -0.065 0.000 0.239 333 A C 0.339 178.040 177.584 0.196 0.000 1.061 333 A CA 0.252 52.284 52.037 -0.008 0.000 0.758 333 A CB -0.168 18.651 19.000 -0.301 0.000 0.991 333 A HN 0.739 nan 8.150 nan 0.000 0.502 334 R N 2.387 123.044 120.500 0.262 0.000 2.409 334 R HA 0.384 4.685 4.340 -0.065 0.000 0.313 334 R C -0.373 176.005 176.300 0.130 0.000 0.953 334 R CA -0.558 55.665 56.100 0.205 0.000 0.849 334 R CB 0.873 31.261 30.300 0.147 0.000 1.171 334 R HN 0.768 nan 8.270 nan 0.000 0.458 335 K N 4.466 124.851 120.400 -0.025 0.000 2.382 335 K HA 0.165 4.446 4.320 -0.065 0.000 0.275 335 K C -0.855 175.661 176.600 -0.140 0.000 1.009 335 K CA 0.242 56.311 56.287 -0.364 0.000 0.970 335 K CB 0.663 32.761 32.500 -0.670 0.000 0.934 335 K HN 0.661 nan 8.250 nan 0.000 0.479 336 M N 2.927 122.432 119.600 -0.159 0.000 2.426 336 M HA 0.191 4.632 4.480 -0.065 0.000 0.289 336 M C -1.270 174.844 176.300 -0.311 0.000 1.168 336 M CA -0.634 54.579 55.300 -0.145 0.000 0.933 336 M CB 1.810 34.348 32.600 -0.102 0.000 1.750 336 M HN 0.604 nan 8.290 nan 0.000 0.494 337 R N 2.110 122.357 120.500 -0.422 0.000 2.442 337 R HA 0.146 4.447 4.340 -0.065 0.000 0.291 337 R C 0.689 176.774 176.300 -0.358 0.000 1.069 337 R CA -0.189 55.526 56.100 -0.642 0.000 1.022 337 R CB 0.763 30.728 30.300 -0.557 0.000 0.976 337 R HN 0.778 nan 8.270 nan 0.000 0.443 338 L N 5.038 126.046 121.223 -0.359 0.000 2.083 338 L HA -0.031 4.270 4.340 -0.065 0.000 0.209 338 L C 1.944 178.773 176.870 -0.067 0.000 1.083 338 L CA 2.383 57.077 54.840 -0.244 0.000 0.752 338 L CB -0.673 41.205 42.059 -0.302 0.000 0.899 338 L HN 0.932 nan 8.230 nan 0.000 0.433 339 G N -1.338 107.411 108.800 -0.084 0.000 2.418 339 G HA2 -0.255 3.666 3.960 -0.065 0.000 0.217 339 G HA3 -0.255 3.666 3.960 -0.065 0.000 0.217 339 G C 1.247 176.164 174.900 0.028 0.000 1.158 339 G CA 0.810 45.951 45.100 0.069 0.000 0.771 339 G HN 0.397 nan 8.290 nan 0.000 0.545 340 D N 1.131 121.499 120.400 -0.053 0.000 2.117 340 D HA -0.029 4.572 4.640 -0.065 0.000 0.197 340 D C 2.816 179.089 176.300 -0.044 0.000 0.987 340 D CA 1.176 55.148 54.000 -0.048 0.000 0.829 340 D CB -0.543 40.214 40.800 -0.071 0.000 0.961 340 D HN 0.295 nan 8.370 nan 0.000 0.460 341 A N 0.671 123.448 122.820 -0.071 0.000 1.883 341 A HA -0.180 4.101 4.320 -0.065 0.000 0.217 341 A C 2.520 180.068 177.584 -0.060 0.000 1.186 341 A CA 1.570 53.559 52.037 -0.080 0.000 0.624 341 A CB -0.819 18.088 19.000 -0.154 0.000 0.822 341 A HN 0.170 nan 8.150 nan 0.000 0.444 342 V N -0.099 119.786 119.914 -0.047 0.000 2.427 342 V HA -0.228 3.853 4.120 -0.065 0.000 0.248 342 V C 2.496 178.558 176.094 -0.053 0.000 1.051 342 V CA 2.132 64.386 62.300 -0.076 0.000 1.048 342 V CB -0.680 31.050 31.823 -0.156 0.000 0.666 342 V HN 0.761 nan 8.190 nan 0.000 0.456 343 E N 0.147 120.331 120.200 -0.028 0.000 2.077 343 E HA -0.263 4.048 4.350 -0.065 0.000 0.193 343 E C 2.140 178.732 176.600 -0.013 0.000 0.989 343 E CA 1.364 57.753 56.400 -0.018 0.000 0.800 343 E CB -0.055 29.641 29.700 -0.007 0.000 0.746 343 E HN 0.664 nan 8.360 nan 0.000 0.452 344 Q N -1.107 118.686 119.800 -0.011 0.000 2.482 344 Q HA 0.036 4.337 4.340 -0.065 0.000 0.209 344 Q C 1.094 177.099 176.000 0.008 0.000 0.961 344 Q CA 0.495 56.298 55.803 0.000 0.000 0.945 344 Q CB 0.614 29.354 28.738 0.003 0.000 1.012 344 Q HN 0.543 nan 8.270 nan 0.000 0.515 345 G N 0.541 109.342 108.800 0.003 0.000 2.179 345 G HA2 -0.327 3.594 3.960 -0.065 0.000 0.260 345 G HA3 -0.327 3.594 3.960 -0.065 0.000 0.260 345 G C 0.769 175.698 174.900 0.049 0.000 0.977 345 G CA 0.448 45.557 45.100 0.016 0.000 0.641 345 G HN 0.368 nan 8.290 nan 0.000 0.533 346 V N 0.470 120.420 119.914 0.059 0.000 2.407 346 V HA 0.230 4.310 4.120 -0.065 0.000 0.248 346 V C 1.364 177.582 176.094 0.207 0.000 1.055 346 V CA 1.983 64.367 62.300 0.139 0.000 1.049 346 V CB -0.100 31.804 31.823 0.136 0.000 0.662 346 V HN 0.433 nan 8.190 nan 0.000 0.455 347 I N 1.469 122.061 120.570 0.036 0.000 2.312 347 I HA 0.206 4.337 4.170 -0.065 0.000 0.290 347 I C 1.374 177.490 176.117 -0.002 0.000 1.008 347 I CA 0.109 61.390 61.300 -0.033 0.000 1.226 347 I CB 1.057 38.889 38.000 -0.280 0.000 1.371 347 I HN 0.277 nan 8.210 nan 0.000 0.468 348 N N 5.663 124.406 118.700 0.071 0.000 2.011 348 N HA -0.208 4.493 4.740 -0.065 0.000 0.199 348 N C 0.259 175.755 175.510 -0.024 0.000 1.047 348 N CA 1.860 54.935 53.050 0.041 0.000 0.863 348 N CB 0.212 38.744 38.487 0.074 0.000 1.056 348 N HN 0.840 nan 8.380 nan 0.000 0.427 349 N N -2.924 115.748 118.700 -0.047 0.000 2.761 349 N HA 0.179 4.880 4.740 -0.065 0.000 0.283 349 N C 0.411 175.795 175.510 -0.209 0.000 1.377 349 N CA -0.394 52.593 53.050 -0.104 0.000 0.791 349 N CB 1.170 39.633 38.487 -0.040 0.000 1.540 349 N HN -0.076 nan 8.380 nan 0.000 0.539 350 T N -3.219 111.144 114.554 -0.319 0.000 3.043 350 T HA -0.004 4.307 4.350 -0.065 0.000 0.263 350 T C 1.540 176.147 174.700 -0.155 0.000 1.094 350 T CA 0.564 62.300 62.100 -0.607 0.000 1.127 350 T CB -0.453 67.919 68.868 -0.827 0.000 0.905 350 T HN 0.233 nan 8.240 nan 0.000 0.490 351 V N 1.527 121.449 119.914 0.013 0.000 2.307 351 V HA -0.033 4.047 4.120 -0.065 0.000 0.245 351 V C 2.610 178.856 176.094 0.253 0.000 1.045 351 V CA 1.391 63.805 62.300 0.191 0.000 1.024 351 V CB -0.765 31.192 31.823 0.223 0.000 0.651 351 V HN 0.424 nan 8.190 nan 0.000 0.449 352 L N 0.286 121.606 121.223 0.162 0.000 2.046 352 L HA -0.106 4.195 4.340 -0.065 0.000 0.208 352 L C 2.466 179.397 176.870 0.102 0.000 1.077 352 L CA 1.955 56.889 54.840 0.157 0.000 0.747 352 L CB -0.890 41.220 42.059 0.085 0.000 0.896 352 L HN 0.462 nan 8.230 nan 0.000 0.432 353 G N -1.285 107.534 108.800 0.032 0.000 2.440 353 G HA2 -0.384 3.537 3.960 -0.065 0.000 0.218 353 G HA3 -0.384 3.537 3.960 -0.065 0.000 0.218 353 G C 1.397 176.431 174.900 0.222 0.000 1.154 353 G CA 0.967 46.123 45.100 0.094 0.000 0.767 353 G HN 0.462 nan 8.290 nan 0.000 0.552 354 Y N 0.843 121.225 120.300 0.137 0.000 2.097 354 Y HA -0.108 4.403 4.550 -0.066 0.000 0.282 354 Y C 2.410 178.179 175.900 -0.219 0.000 1.152 354 Y CA 1.587 59.612 58.100 -0.125 0.000 1.136 354 Y CB -0.454 37.678 38.460 -0.547 0.000 0.975 354 Y HN 0.166 nan 8.280 nan 0.000 0.498 355 F N -0.111 119.790 119.950 -0.083 0.000 2.171 355 F HA -0.208 4.280 4.527 -0.064 0.000 0.300 355 F C 2.401 178.187 175.800 -0.023 0.000 1.090 355 F CA 1.512 59.473 58.000 -0.065 0.000 1.293 355 F CB -0.762 38.268 39.000 0.050 0.000 1.013 355 F HN 0.045 nan 8.300 nan 0.000 0.486 356 I N -0.341 120.275 120.570 0.078 0.000 2.208 356 I HA -0.284 3.847 4.170 -0.065 0.000 0.245 356 I C 2.683 178.695 176.117 -0.176 0.000 1.097 356 I CA 1.678 62.900 61.300 -0.132 0.000 1.363 356 I CB -1.109 36.621 38.000 -0.451 0.000 1.051 356 I HN 0.221 nan 8.210 nan 0.000 0.413 357 G N 0.199 108.886 108.800 -0.190 0.000 2.421 357 G HA2 -0.155 3.766 3.960 -0.065 0.000 0.217 357 G HA3 -0.155 3.766 3.960 -0.065 0.000 0.217 357 G C 1.809 176.710 174.900 0.003 0.000 1.143 357 G CA 0.075 45.089 45.100 -0.142 0.000 0.784 357 G HN 0.184 nan 8.290 nan 0.000 0.541 358 R N 0.019 120.456 120.500 -0.106 0.000 2.092 358 R HA 0.095 4.396 4.340 -0.065 0.000 0.231 358 R C 2.540 179.089 176.300 0.414 0.000 1.119 358 R CA 0.611 56.733 56.100 0.037 0.000 0.970 358 R CB -0.501 29.670 30.300 -0.214 0.000 0.864 358 R HN 0.419 nan 8.270 nan 0.000 0.440 359 I N -0.199 120.690 120.570 0.533 0.000 2.226 359 I HA -0.315 3.815 4.170 -0.065 0.000 0.245 359 I C 2.383 178.858 176.117 0.598 0.000 1.100 359 I CA 1.257 62.978 61.300 0.701 0.000 1.374 359 I CB -0.418 37.947 38.000 0.610 0.000 1.057 359 I HN 0.088 nan 8.210 nan 0.000 0.413 360 Y N 1.678 122.242 120.300 0.439 0.000 2.128 360 Y HA -0.248 4.263 4.550 -0.064 0.000 0.284 360 Y C 2.300 178.337 175.900 0.229 0.000 1.154 360 Y CA 1.648 59.981 58.100 0.388 0.000 1.149 360 Y CB -0.306 38.318 38.460 0.273 0.000 0.976 360 Y HN 0.003 nan 8.280 nan 0.000 0.505 361 L N -1.062 120.270 121.223 0.182 0.000 2.046 361 L HA -0.255 4.046 4.340 -0.065 0.000 0.208 361 L C 2.381 179.193 176.870 -0.097 0.000 1.077 361 L CA 1.886 56.754 54.840 0.047 0.000 0.747 361 L CB -0.891 41.297 42.059 0.216 0.000 0.896 361 L HN 0.355 nan 8.230 nan 0.000 0.432 362 Y N 0.632 120.724 120.300 -0.347 0.000 2.145 362 Y HA -0.234 4.276 4.550 -0.066 0.000 0.286 362 Y C 2.325 178.136 175.900 -0.148 0.000 1.145 362 Y CA 1.511 59.296 58.100 -0.526 0.000 1.148 362 Y CB -0.194 37.978 38.460 -0.481 0.000 0.981 362 Y HN -0.011 nan 8.280 nan 0.000 0.507 363 L N -0.339 120.850 121.223 -0.056 0.000 2.046 363 L HA -0.203 4.098 4.340 -0.065 0.000 0.208 363 L C 2.577 179.316 176.870 -0.219 0.000 1.077 363 L CA 1.935 56.706 54.840 -0.116 0.000 0.747 363 L CB -1.106 40.997 42.059 0.073 0.000 0.896 363 L HN 0.394 nan 8.230 nan 0.000 0.432 364 T N -2.836 111.559 114.554 -0.265 0.000 2.904 364 T HA -0.202 4.109 4.350 -0.065 0.000 0.267 364 T C 1.845 176.439 174.700 -0.177 0.000 1.059 364 T CA 0.953 62.912 62.100 -0.234 0.000 1.137 364 T CB -0.153 68.498 68.868 -0.361 0.000 0.879 364 T HN 0.229 nan 8.240 nan 0.000 0.467 365 K N 0.757 121.027 120.400 -0.216 0.000 2.097 365 K HA 0.009 4.290 4.320 -0.065 0.000 0.205 365 K C 1.953 178.435 176.600 -0.196 0.000 1.050 365 K CA 0.976 57.161 56.287 -0.170 0.000 0.938 365 K CB -0.213 32.188 32.500 -0.165 0.000 0.718 365 K HN 0.275 nan 8.250 nan 0.000 0.442 366 V N -0.135 119.580 119.914 -0.331 0.000 3.306 366 V HA 0.039 4.120 4.120 -0.065 0.000 0.264 366 V C 1.248 177.245 176.094 -0.162 0.000 1.149 366 V CA 1.272 63.387 62.300 -0.309 0.000 1.143 366 V CB 0.464 31.978 31.823 -0.516 0.000 0.767 366 V HN 0.727 nan 8.190 nan 0.000 0.476 367 G N -0.126 108.607 108.800 -0.112 0.000 2.198 367 G HA2 -0.128 3.793 3.960 -0.065 0.000 0.156 367 G HA3 -0.128 3.793 3.960 -0.065 0.000 0.156 367 G C -0.013 174.889 174.900 0.004 0.000 1.012 367 G CA -0.413 44.678 45.100 -0.014 0.000 0.692 367 G HN 0.380 nan 8.290 nan 0.000 0.492 368 I N 2.334 122.881 120.570 -0.039 0.000 2.395 368 I HA 0.310 4.441 4.170 -0.065 0.000 0.289 368 I C 0.674 176.876 176.117 0.143 0.000 1.023 368 I CA -0.365 60.958 61.300 0.038 0.000 1.350 368 I CB 1.472 39.440 38.000 -0.053 0.000 1.409 368 I HN 0.058 nan 8.210 nan 0.000 0.507 369 S N 8.150 124.049 115.700 0.332 0.000 2.510 369 S HA 0.102 4.533 4.470 -0.065 0.000 0.279 369 S C -1.552 173.154 174.600 0.177 0.000 1.284 369 S CA -0.930 57.367 58.200 0.161 0.000 1.059 369 S CB 0.914 64.113 63.200 -0.002 0.000 0.901 369 S HN 0.465 nan 8.310 nan 0.000 0.491 370 P HA -0.126 nan 4.420 nan 0.000 0.220 370 P C 0.886 178.407 177.300 0.368 0.000 1.148 370 P CA 0.906 64.201 63.100 0.324 0.000 0.803 370 P CB 0.010 31.908 31.700 0.330 0.000 0.782 371 D N -0.337 120.201 120.400 0.231 0.000 2.317 371 D HA -0.116 4.485 4.640 -0.065 0.000 0.211 371 D C 0.798 177.125 176.300 0.045 0.000 0.966 371 D CA 0.999 55.098 54.000 0.166 0.000 0.876 371 D CB -0.702 40.152 40.800 0.090 0.000 0.927 371 D HN 0.210 nan 8.370 nan 0.000 0.519 372 K N -0.073 120.360 120.400 0.056 0.000 2.726 372 K HA 0.344 4.625 4.320 -0.065 0.000 0.209 372 K C -0.354 176.382 176.600 0.226 0.000 1.082 372 K CA -0.252 56.031 56.287 -0.007 0.000 1.081 372 K CB 1.183 33.509 32.500 -0.290 0.000 0.830 372 K HN 0.096 nan 8.250 nan 0.000 0.470 373 L N 2.152 123.596 121.223 0.368 0.000 2.381 373 L HA 0.501 4.801 4.340 -0.065 0.000 0.274 373 L C -0.925 176.219 176.870 0.457 0.000 0.988 373 L CA -0.721 54.372 54.840 0.423 0.000 0.824 373 L CB 1.318 43.602 42.059 0.374 0.000 1.263 373 L HN 0.228 nan 8.230 nan 0.000 0.410 374 R N 2.748 123.452 120.500 0.341 0.000 2.836 374 R HA 0.603 4.904 4.340 -0.065 0.000 0.269 374 R C -2.071 174.283 176.300 0.089 0.000 1.010 374 R CA -0.716 55.523 56.100 0.232 0.000 0.930 374 R CB 1.746 31.970 30.300 -0.126 0.000 1.218 374 R HN 0.301 nan 8.270 nan 0.000 0.473 375 F N 0.785 120.903 119.950 0.280 0.000 2.403 375 F HA 0.490 4.978 4.527 -0.066 0.000 0.355 375 F C 0.272 176.380 175.800 0.514 0.000 1.119 375 F CA -0.655 57.568 58.000 0.372 0.000 1.007 375 F CB 1.902 41.094 39.000 0.320 0.000 1.194 375 F HN 0.313 nan 8.300 nan 0.000 0.443 376 R N 3.362 124.131 120.500 0.450 0.000 2.255 376 R HA 0.258 4.559 4.340 -0.065 0.000 0.326 376 R C -0.458 175.787 176.300 -0.090 0.000 0.986 376 R CA -0.535 55.706 56.100 0.234 0.000 0.847 376 R CB 1.145 31.556 30.300 0.185 0.000 1.111 376 R HN 0.715 nan 8.270 nan 0.000 0.452 377 Q N 3.756 123.140 119.800 -0.693 0.000 2.279 377 Q HA 0.109 4.410 4.340 -0.065 0.000 0.256 377 Q C -0.903 174.719 176.000 -0.631 0.000 0.937 377 Q CA -0.497 54.564 55.803 -1.237 0.000 0.933 377 Q CB 0.705 28.197 28.738 -2.076 0.000 1.189 377 Q HN 0.704 nan 8.270 nan 0.000 0.417 378 H N 2.183 121.019 119.070 -0.391 0.000 2.500 378 H HA 0.520 5.037 4.556 -0.066 0.000 0.351 378 H C -0.143 175.048 175.328 -0.227 0.000 1.281 378 H CA -1.043 54.852 56.048 -0.255 0.000 1.368 378 H CB 0.886 30.560 29.762 -0.147 0.000 1.616 378 H HN 0.603 nan 8.280 nan 0.000 0.591 379 M N 0.400 119.995 119.600 -0.008 0.000 2.106 379 M HA 0.312 4.753 4.480 -0.065 0.000 0.241 379 M C -1.311 174.963 176.300 -0.043 0.000 0.946 379 M CA -0.602 54.654 55.300 -0.074 0.000 1.024 379 M CB 1.684 34.213 32.600 -0.117 0.000 2.191 379 M HN 0.763 nan 8.290 nan 0.000 0.429 380 E N 1.114 121.297 120.200 -0.029 0.000 2.297 380 E HA -0.211 4.100 4.350 -0.065 0.000 0.228 380 E C -1.188 175.396 176.600 -0.026 0.000 1.213 380 E CA 1.418 57.803 56.400 -0.025 0.000 0.712 380 E CB -2.049 27.629 29.700 -0.038 0.000 1.202 380 E HN 1.074 nan 8.360 nan 0.000 0.376 388 C N -0.664 118.652 119.300 0.027 0.000 3.199 388 C HA 0.701 5.122 4.460 -0.065 0.000 0.392 388 C C -1.609 173.376 174.990 -0.009 0.000 1.050 388 C CA -0.517 58.517 59.018 0.027 0.000 1.222 388 C CB 0.985 28.755 27.740 0.049 0.000 1.595 388 C HN 0.546 nan 8.230 nan 0.000 0.560 389 D N 1.998 122.394 120.400 -0.008 0.000 2.485 389 D HA 0.524 5.125 4.640 -0.065 0.000 0.221 389 D C -0.266 175.999 176.300 -0.058 0.000 1.112 389 D CA 0.052 54.026 54.000 -0.043 0.000 0.911 389 D CB 0.364 41.186 40.800 0.037 0.000 1.019 389 D HN 0.811 nan 8.370 nan 0.000 0.516 390 C N 3.816 122.963 119.300 -0.254 0.000 2.329 390 C HA 0.548 4.969 4.460 -0.065 0.000 0.329 390 C C -0.356 174.366 174.990 -0.445 0.000 1.275 390 C CA -1.022 57.832 59.018 -0.274 0.000 1.726 390 C CB -0.400 27.143 27.740 -0.328 0.000 2.291 390 C HN 0.561 nan 8.230 nan 0.000 0.514 391 W N 1.719 122.954 121.300 -0.108 0.000 2.417 391 W HA 0.406 5.025 4.660 -0.067 0.000 0.315 391 W C -0.506 176.074 176.519 0.101 0.000 1.045 391 W CA -0.076 57.277 57.345 0.014 0.000 1.221 391 W CB 0.934 30.466 29.460 0.120 0.000 1.309 391 W HN 0.538 nan 8.180 nan 0.000 0.453 392 D N 2.519 123.088 120.400 0.282 0.000 2.280 392 D HA 0.403 5.004 4.640 -0.065 0.000 0.236 392 D C -0.136 176.228 176.300 0.106 0.000 1.082 392 D CA -0.286 53.834 54.000 0.201 0.000 0.834 392 D CB 1.541 42.458 40.800 0.196 0.000 1.100 392 D HN 0.364 nan 8.370 nan 0.000 0.486 393 A N 3.348 126.123 122.820 -0.075 0.000 2.444 393 A HA 0.240 4.521 4.320 -0.065 0.000 0.273 393 A C 0.255 177.743 177.584 -0.161 0.000 1.136 393 A CA 0.018 51.777 52.037 -0.464 0.000 0.799 393 A CB 0.132 18.859 19.000 -0.455 0.000 1.081 393 A HN 0.491 nan 8.150 nan 0.000 0.509 394 E N 1.484 121.640 120.200 -0.074 0.000 2.199 394 E HA 0.509 4.820 4.350 -0.065 0.000 0.269 394 E C -0.561 176.248 176.600 0.348 0.000 0.899 394 E CA -0.594 55.909 56.400 0.171 0.000 0.772 394 E CB 1.964 31.821 29.700 0.262 0.000 1.155 394 E HN 0.717 nan 8.360 nan 0.000 0.408 395 S N 2.061 117.927 115.700 0.277 0.000 2.532 395 S HA 0.418 4.849 4.470 -0.065 0.000 0.301 395 S C -0.451 174.083 174.600 -0.110 0.000 1.083 395 S CA -1.033 57.259 58.200 0.154 0.000 1.025 395 S CB 1.745 64.943 63.200 -0.003 0.000 1.056 395 S HN 0.408 nan 8.310 nan 0.000 0.494 396 K N 1.852 121.904 120.400 -0.580 0.000 2.248 396 K HA 0.434 4.715 4.320 -0.065 0.000 0.281 396 K C -0.040 176.392 176.600 -0.280 0.000 1.054 396 K CA -0.171 55.531 56.287 -0.976 0.000 0.903 396 K CB 0.445 31.979 32.500 -1.611 0.000 1.077 396 K HN 0.933 nan 8.250 nan 0.000 0.474 397 T N -0.896 113.556 114.554 -0.170 0.000 2.724 397 T HA 0.151 4.462 4.350 -0.065 0.000 0.274 397 T C 1.167 175.860 174.700 -0.011 0.000 0.984 397 T CA -0.325 61.792 62.100 0.028 0.000 1.024 397 T CB 1.060 70.063 68.868 0.224 0.000 1.320 397 T HN 0.419 nan 8.240 nan 0.000 0.555 398 S N -0.868 114.842 115.700 0.017 0.000 2.507 398 S HA -0.050 4.380 4.470 -0.065 0.000 0.235 398 S C 1.025 175.499 174.600 -0.210 0.000 0.988 398 S CA 0.363 58.483 58.200 -0.134 0.000 0.944 398 S CB -0.990 62.082 63.200 -0.213 0.000 0.762 398 S HN 0.697 nan 8.310 nan 0.000 0.526 399 Y N 2.224 122.543 120.300 0.031 0.000 2.457 399 Y HA 0.456 4.969 4.550 -0.062 0.000 0.263 399 Y C 1.729 177.640 175.900 0.018 0.000 1.164 399 Y CA 0.004 58.122 58.100 0.030 0.000 1.274 399 Y CB -0.048 38.433 38.460 0.034 0.000 1.097 399 Y HN 0.544 nan 8.280 nan 0.000 0.523 400 G N -0.481 108.368 108.800 0.083 0.000 2.512 400 G HA2 -0.249 3.672 3.960 -0.065 0.000 0.210 400 G HA3 -0.249 3.672 3.960 -0.065 0.000 0.210 400 G C -1.195 173.686 174.900 -0.030 0.000 1.295 400 G CA -1.018 44.094 45.100 0.020 0.000 0.934 400 G HN 0.172 nan 8.290 nan 0.000 0.554 401 W N 1.147 122.491 121.300 0.074 0.000 2.419 401 W HA 0.569 5.189 4.660 -0.067 0.000 0.312 401 W C 1.110 177.663 176.519 0.058 0.000 1.323 401 W CA 0.097 57.479 57.345 0.060 0.000 1.293 401 W CB 0.387 29.872 29.460 0.041 0.000 1.324 401 W HN 0.563 nan 8.180 nan 0.000 0.512 402 I N 0.150 120.860 120.570 0.233 0.000 2.493 402 I HA 0.421 4.552 4.170 -0.065 0.000 0.298 402 I C 0.078 176.263 176.117 0.112 0.000 0.998 402 I CA -1.258 60.120 61.300 0.130 0.000 1.137 402 I CB 1.802 39.831 38.000 0.050 0.000 1.310 402 I HN 0.228 nan 8.210 nan 0.000 0.445 403 E N 6.213 126.450 120.200 0.062 0.000 2.166 403 E HA 0.156 4.467 4.350 -0.065 0.000 0.279 403 E C 0.289 176.879 176.600 -0.017 0.000 1.095 403 E CA -0.119 56.302 56.400 0.036 0.000 0.888 403 E CB 1.011 30.728 29.700 0.029 0.000 1.041 403 E HN 0.847 nan 8.360 nan 0.000 0.414 404 I N 1.504 122.061 120.570 -0.021 0.000 3.790 404 I HA 0.194 4.325 4.170 -0.065 0.000 0.305 404 I C -0.051 176.027 176.117 -0.066 0.000 1.253 404 I CA -0.143 61.131 61.300 -0.043 0.000 1.355 404 I CB 0.727 38.712 38.000 -0.025 0.000 1.137 404 I HN 0.023 nan 8.210 nan 0.000 0.435 405 V N 2.336 122.190 119.914 -0.099 0.000 2.567 405 V HA 0.648 4.728 4.120 -0.065 0.000 0.298 405 V C 0.159 176.165 176.094 -0.147 0.000 1.047 405 V CA -0.608 61.558 62.300 -0.223 0.000 0.880 405 V CB 1.276 32.887 31.823 -0.354 0.000 1.009 405 V HN 0.322 nan 8.190 nan 0.000 0.429 406 G N 1.823 110.540 108.800 -0.138 0.000 2.356 406 G HA2 0.491 4.412 3.960 -0.065 0.000 0.298 406 G HA3 0.491 4.412 3.960 -0.065 0.000 0.298 406 G C -0.623 174.244 174.900 -0.054 0.000 1.145 406 G CA -0.338 44.744 45.100 -0.029 0.000 0.850 406 G HN 0.834 nan 8.290 nan 0.000 0.487 407 C N 2.930 122.259 119.300 0.049 0.000 2.547 407 C HA 0.752 5.173 4.460 -0.065 0.000 0.327 407 C C 0.365 175.408 174.990 0.089 0.000 1.076 407 C CA -0.441 58.608 59.018 0.051 0.000 1.390 407 C CB -0.757 27.061 27.740 0.129 0.000 1.918 407 C HN 0.992 nan 8.230 nan 0.000 0.438 408 A N 4.229 127.071 122.820 0.036 0.000 2.304 408 A HA 0.640 4.921 4.320 -0.065 0.000 0.323 408 A C -0.661 176.944 177.584 0.036 0.000 1.195 408 A CA -0.164 51.899 52.037 0.043 0.000 0.826 408 A CB 0.681 19.707 19.000 0.043 0.000 1.184 408 A HN 0.814 nan 8.150 nan 0.000 0.496 409 D N 1.317 121.754 120.400 0.062 0.000 2.274 409 D HA 0.409 5.010 4.640 -0.065 0.000 0.239 409 D C -0.315 176.011 176.300 0.043 0.000 1.104 409 D CA -0.001 54.033 54.000 0.056 0.000 0.840 409 D CB 0.536 41.392 40.800 0.093 0.000 1.100 409 D HN 0.497 nan 8.370 nan 0.000 0.477 410 R N 2.921 123.437 120.500 0.028 0.000 2.502 410 R HA 0.321 4.622 4.340 -0.065 0.000 0.300 410 R C 0.424 176.761 176.300 0.062 0.000 0.984 410 R CA -0.445 55.683 56.100 0.047 0.000 0.882 410 R CB 1.215 31.549 30.300 0.057 0.000 1.180 410 R HN 0.338 nan 8.270 nan 0.000 0.444 411 S N 1.537 117.289 115.700 0.087 0.000 2.327 411 S HA 0.014 4.445 4.470 -0.065 0.000 0.213 411 S C 0.341 175.064 174.600 0.204 0.000 1.032 411 S CA 0.388 58.656 58.200 0.114 0.000 0.960 411 S CB 0.273 63.521 63.200 0.079 0.000 0.900 411 S HN 0.640 nan 8.310 nan 0.000 0.469 412 C N 2.964 122.348 119.300 0.140 0.000 2.265 412 C HA 0.666 5.087 4.460 -0.065 0.000 0.332 412 C C 0.199 175.244 174.990 0.092 0.000 1.248 412 C CA -1.277 57.793 59.018 0.087 0.000 1.727 412 C CB -1.683 26.059 27.740 0.002 0.000 2.348 412 C HN 0.609 nan 8.230 nan 0.000 0.519 413 Y N 0.261 120.489 120.300 -0.120 0.000 3.012 413 Y HA 0.621 5.131 4.550 -0.066 0.000 0.324 413 Y C 0.848 176.575 175.900 -0.288 0.000 1.342 413 Y CA -1.219 56.766 58.100 -0.193 0.000 1.076 413 Y CB 0.151 38.474 38.460 -0.228 0.000 1.372 413 Y HN 0.304 nan 8.280 nan 0.000 0.688 414 D N -0.921 119.250 120.400 -0.383 0.000 2.398 414 D HA 0.159 4.760 4.640 -0.065 0.000 0.210 414 D C 1.467 177.441 176.300 -0.542 0.000 1.094 414 D CA 0.258 53.980 54.000 -0.463 0.000 0.839 414 D CB 0.297 40.925 40.800 -0.287 0.000 0.963 414 D HN 0.627 nan 8.370 nan 0.000 0.506 415 L N 0.307 121.112 121.223 -0.695 0.000 2.109 415 L HA -0.123 4.177 4.340 -0.065 0.000 0.207 415 L C 2.371 178.987 176.870 -0.423 0.000 1.086 415 L CA 1.161 55.765 54.840 -0.394 0.000 0.760 415 L CB -0.146 41.819 42.059 -0.157 0.000 0.910 415 L HN 0.052 nan 8.230 nan 0.000 0.437 416 S N -1.332 113.944 115.700 -0.708 0.000 2.383 416 S HA -0.234 4.196 4.470 -0.065 0.000 0.229 416 S C 2.015 176.433 174.600 -0.303 0.000 1.030 416 S CA 1.365 59.253 58.200 -0.520 0.000 1.002 416 S CB -1.155 61.702 63.200 -0.572 0.000 0.829 416 S HN 0.483 nan 8.310 nan 0.000 0.467 417 C N 1.133 120.252 119.300 -0.302 0.000 2.476 417 C HA 0.110 4.530 4.460 -0.065 0.000 0.278 417 C C 2.580 177.472 174.990 -0.163 0.000 1.274 417 C CA 0.736 59.617 59.018 -0.227 0.000 1.713 417 C CB -1.613 25.962 27.740 -0.275 0.000 2.039 417 C HN 0.680 nan 8.230 nan 0.000 0.484 418 H N 0.885 119.873 119.070 -0.137 0.000 2.253 418 H HA -0.099 4.418 4.556 -0.064 0.000 0.296 418 H C 2.417 177.709 175.328 -0.060 0.000 1.067 418 H CA 1.897 57.904 56.048 -0.069 0.000 1.245 418 H CB -0.186 29.559 29.762 -0.027 0.000 1.364 418 H HN 0.434 nan 8.280 nan 0.000 0.494 419 A N 0.759 123.615 122.820 0.060 0.000 2.015 419 A HA -0.040 4.241 4.320 -0.065 0.000 0.219 419 A C 1.120 178.696 177.584 -0.015 0.000 1.163 419 A CA 0.940 52.977 52.037 0.001 0.000 0.646 419 A CB -0.082 18.876 19.000 -0.069 0.000 0.806 419 A HN 0.304 nan 8.150 nan 0.000 0.448 507 F N -0.842 119.234 119.950 0.210 0.000 2.611 507 F HA 0.830 5.319 4.527 -0.063 0.000 0.324 507 F C 0.887 176.870 175.800 0.305 0.000 1.061 507 F CA -0.519 57.607 58.000 0.210 0.000 0.954 507 F CB 2.278 41.349 39.000 0.117 0.000 1.301 507 F HN 0.942 nan 8.300 nan 0.000 0.482 508 Q N 0.661 120.727 119.800 0.445 0.000 2.331 508 Q HA 0.449 4.750 4.340 -0.065 0.000 0.267 508 Q C -0.701 175.422 176.000 0.204 0.000 1.006 508 Q CA -1.376 54.605 55.803 0.297 0.000 0.818 508 Q CB 1.200 30.110 28.738 0.287 0.000 1.276 508 Q HN 0.715 nan 8.270 nan 0.000 0.450 509 K N 1.163 121.649 120.400 0.143 0.000 2.155 509 K HA 0.481 4.762 4.320 -0.065 0.000 0.240 509 K C 0.423 177.065 176.600 0.070 0.000 1.193 509 K CA 0.315 56.658 56.287 0.093 0.000 1.104 509 K CB -0.669 31.872 32.500 0.067 0.000 1.558 509 K HN 0.717 nan 8.250 nan 0.000 0.313 510 T N 1.660 116.260 114.554 0.077 0.000 2.902 510 T HA 0.318 4.629 4.350 -0.065 0.000 0.301 510 T C 0.839 175.563 174.700 0.040 0.000 1.012 510 T CA -0.037 62.098 62.100 0.059 0.000 1.151 510 T CB -0.040 68.867 68.868 0.065 0.000 0.946 510 T HN 0.674 nan 8.240 nan 0.000 0.542 511 L N 1.317 122.558 121.223 0.029 0.000 2.558 511 L HA 0.450 4.751 4.340 -0.065 0.000 0.301 511 L C 1.720 178.600 176.870 0.017 0.000 1.267 511 L CA 1.298 56.150 54.840 0.020 0.000 0.854 511 L CB -1.997 40.071 42.059 0.014 0.000 1.103 511 L HN 2.609 nan 8.230 nan 0.000 0.522 512 Y N -0.808 119.499 120.300 0.012 0.000 4.842 512 Y HA 0.399 4.910 4.550 -0.065 0.000 0.252 512 Y C 2.313 178.216 175.900 0.006 0.000 1.024 512 Y CA 0.702 58.807 58.100 0.008 0.000 2.080 512 Y CB -2.192 36.274 38.460 0.009 0.000 1.547 512 Y HN 2.955 nan 8.280 nan 0.000 0.681 513 V N -0.932 118.986 119.914 0.007 0.000 5.658 513 V HA -0.009 4.072 4.120 -0.065 0.000 0.312 513 V C -0.142 175.951 176.094 -0.003 0.000 0.480 513 V CA 2.700 65.001 62.300 0.001 0.000 0.684 513 V CB -1.804 30.017 31.823 -0.004 0.000 0.426 513 V HN 2.192 nan 8.190 nan 0.000 1.241 514 E N 1.005 121.209 120.200 0.007 0.000 2.145 514 E HA 0.620 4.931 4.350 -0.065 0.000 0.270 514 E C -0.156 176.453 176.600 0.016 0.000 0.906 514 E CA -0.660 55.743 56.400 0.005 0.000 0.761 514 E CB 0.987 30.697 29.700 0.016 0.000 1.116 514 E HN 0.721 nan 8.360 nan 0.000 0.408 515 E N 2.789 122.979 120.200 -0.016 0.000 2.194 515 E HA 0.214 4.525 4.350 -0.065 0.000 0.284 515 E C -0.851 175.786 176.600 0.060 0.000 1.035 515 E CA -0.477 55.918 56.400 -0.008 0.000 0.836 515 E CB 1.750 31.329 29.700 -0.202 0.000 1.070 515 E HN 0.211 nan 8.360 nan 0.000 0.401 516 V N 4.281 124.292 119.914 0.162 0.000 2.370 516 V HA 0.120 4.201 4.120 -0.065 0.000 0.283 516 V C 0.018 176.285 176.094 0.288 0.000 1.023 516 V CA -0.820 61.593 62.300 0.187 0.000 0.857 516 V CB 1.581 33.502 31.823 0.163 0.000 0.985 516 V HN 0.427 nan 8.190 nan 0.000 0.443 517 V N 8.367 128.447 119.914 0.277 0.000 2.356 517 V HA 0.239 4.320 4.120 -0.065 0.000 0.258 517 V C -1.779 174.468 176.094 0.255 0.000 1.065 517 V CA -1.411 61.077 62.300 0.313 0.000 0.935 517 V CB 0.785 32.784 31.823 0.294 0.000 1.061 517 V HN 0.753 nan 8.190 nan 0.000 0.484 518 P HA 0.198 nan 4.420 nan 0.000 0.276 518 P C -0.353 176.942 177.300 -0.008 0.000 1.230 518 P CA -0.439 62.738 63.100 0.128 0.000 0.776 518 P CB 0.805 32.611 31.700 0.177 0.000 0.888 519 N N 0.912 119.617 118.700 0.009 0.000 2.453 519 N HA 0.214 4.915 4.740 -0.065 0.000 0.253 519 N C -0.599 174.809 175.510 -0.170 0.000 1.252 519 N CA -0.120 52.894 53.050 -0.060 0.000 0.917 519 N CB 0.378 38.879 38.487 0.023 0.000 1.117 519 N HN 0.183 nan 8.380 nan 0.000 0.442 520 V N 2.592 122.357 119.914 -0.248 0.000 2.525 520 V HA 0.446 4.527 4.120 -0.065 0.000 0.299 520 V C -1.104 174.882 176.094 -0.179 0.000 1.034 520 V CA -0.720 61.380 62.300 -0.334 0.000 0.863 520 V CB 1.240 32.746 31.823 -0.528 0.000 0.999 520 V HN 0.426 nan 8.190 nan 0.000 0.423 521 I N 6.521 127.002 120.570 -0.148 0.000 2.321 521 I HA 0.429 4.560 4.170 -0.065 0.000 0.291 521 I C 0.193 176.152 176.117 -0.262 0.000 0.998 521 I CA 0.115 61.334 61.300 -0.135 0.000 1.227 521 I CB 1.663 39.616 38.000 -0.079 0.000 1.368 521 I HN 0.767 nan 8.210 nan 0.000 0.466 522 E N 7.853 127.938 120.200 -0.191 0.000 2.346 522 E HA 0.437 4.748 4.350 -0.065 0.000 0.239 522 E C -2.814 173.691 176.600 -0.158 0.000 0.943 522 E CA -1.983 54.303 56.400 -0.190 0.000 0.751 522 E CB 0.989 30.625 29.700 -0.108 0.000 1.241 522 E HN 0.205 nan 8.360 nan 0.000 0.423 523 P HA 0.020 nan 4.420 nan 0.000 0.276 523 P C -0.614 176.600 177.300 -0.144 0.000 1.253 523 P CA -0.181 62.797 63.100 -0.203 0.000 0.766 523 P CB 1.150 32.740 31.700 -0.184 0.000 0.845 524 S N 3.160 118.722 115.700 -0.229 0.000 2.478 524 S HA 0.636 5.067 4.470 -0.065 0.000 0.312 524 S C -0.720 173.740 174.600 -0.233 0.000 1.094 524 S CA -0.704 57.432 58.200 -0.106 0.000 1.081 524 S CB 0.355 63.520 63.200 -0.059 0.000 1.007 524 S HN 0.108 nan 8.310 nan 0.000 0.475 525 F N 2.154 122.033 119.950 -0.118 0.000 2.404 525 F HA 0.477 4.965 4.527 -0.067 0.000 0.354 525 F C 1.026 176.743 175.800 -0.139 0.000 1.122 525 F CA -1.001 56.924 58.000 -0.125 0.000 1.080 525 F CB 1.243 40.109 39.000 -0.224 0.000 1.131 525 F HN 0.365 nan 8.300 nan 0.000 0.471 526 R N 5.202 125.712 120.500 0.018 0.000 2.891 526 R HA 0.212 4.513 4.340 -0.065 0.000 0.248 526 R C 1.051 177.330 176.300 -0.036 0.000 1.439 526 R CA -0.044 56.025 56.100 -0.051 0.000 1.288 526 R CB -0.220 29.994 30.300 -0.143 0.000 1.212 526 R HN 0.870 nan 8.270 nan 0.000 0.605 527 L N 0.206 121.404 121.223 -0.041 0.000 2.079 527 L HA -0.183 4.118 4.340 -0.065 0.000 0.210 527 L C 2.265 179.069 176.870 -0.110 0.000 1.081 527 L CA 1.862 56.653 54.840 -0.081 0.000 0.752 527 L CB -0.394 41.568 42.059 -0.163 0.000 0.896 527 L HN 0.603 nan 8.230 nan 0.000 0.433 528 G N -0.433 108.310 108.800 -0.095 0.000 2.402 528 G HA2 -0.201 3.720 3.960 -0.065 0.000 0.216 528 G HA3 -0.201 3.720 3.960 -0.065 0.000 0.216 528 G C 1.756 176.597 174.900 -0.099 0.000 1.162 528 G CA 0.313 45.362 45.100 -0.084 0.000 0.777 528 G HN 0.275 nan 8.290 nan 0.000 0.539 529 R N -0.183 120.249 120.500 -0.113 0.000 2.075 529 R HA 0.111 4.412 4.340 -0.065 0.000 0.232 529 R C 2.569 178.822 176.300 -0.079 0.000 1.126 529 R CA 0.853 56.895 56.100 -0.096 0.000 0.963 529 R CB -0.369 29.857 30.300 -0.124 0.000 0.858 529 R HN 0.362 nan 8.270 nan 0.000 0.435 530 I N 0.694 121.213 120.570 -0.085 0.000 2.163 530 I HA -0.348 3.783 4.170 -0.065 0.000 0.243 530 I C 2.688 178.677 176.117 -0.213 0.000 1.085 530 I CA 1.426 62.669 61.300 -0.094 0.000 1.347 530 I CB -0.206 37.803 38.000 0.014 0.000 1.044 530 I HN 0.240 nan 8.210 nan 0.000 0.408 531 M N -0.392 119.053 119.600 -0.259 0.000 2.117 531 M HA -0.291 4.150 4.480 -0.065 0.000 0.262 531 M C 2.480 178.304 176.300 -0.794 0.000 1.065 531 M CA 1.987 56.991 55.300 -0.493 0.000 1.114 531 M CB -0.286 32.076 32.600 -0.398 0.000 1.361 531 M HN 0.233 nan 8.290 nan 0.000 0.408 532 Y N 0.590 120.575 120.300 -0.526 0.000 2.242 532 Y HA -0.193 4.317 4.550 -0.067 0.000 0.291 532 Y C 2.136 177.902 175.900 -0.224 0.000 1.137 532 Y CA 2.172 60.093 58.100 -0.298 0.000 1.181 532 Y CB -0.617 37.777 38.460 -0.111 0.000 0.989 532 Y HN 0.221 nan 8.280 nan 0.000 0.527 533 T N -0.407 113.990 114.554 -0.261 0.000 2.746 533 T HA -0.185 4.126 4.350 -0.065 0.000 0.267 533 T C 2.056 176.462 174.700 -0.491 0.000 1.039 533 T CA 1.656 63.514 62.100 -0.403 0.000 1.142 533 T CB -0.723 67.910 68.868 -0.392 0.000 0.866 533 T HN 0.204 nan 8.240 nan 0.000 0.444 534 V N 0.929 120.594 119.914 -0.415 0.000 2.332 534 V HA -0.162 3.919 4.120 -0.065 0.000 0.248 534 V C 2.048 178.113 176.094 -0.048 0.000 1.055 534 V CA 1.656 63.809 62.300 -0.245 0.000 1.038 534 V CB -0.922 30.736 31.823 -0.274 0.000 0.651 534 V HN 0.514 nan 8.190 nan 0.000 0.450 535 F N 0.363 120.249 119.950 -0.107 0.000 2.043 535 F HA -0.222 4.265 4.527 -0.068 0.000 0.297 535 F C 2.686 178.478 175.800 -0.014 0.000 1.121 535 F CA 1.778 59.731 58.000 -0.077 0.000 1.199 535 F CB -0.370 38.461 39.000 -0.281 0.000 0.968 535 F HN 0.156 nan 8.300 nan 0.000 0.478 536 E N -0.669 119.507 120.200 -0.039 0.000 2.077 536 E HA -0.209 4.102 4.350 -0.065 0.000 0.193 536 E C 1.790 178.463 176.600 0.122 0.000 0.989 536 E CA 1.233 57.624 56.400 -0.015 0.000 0.800 536 E CB -0.399 29.254 29.700 -0.078 0.000 0.746 536 E HN 0.652 nan 8.360 nan 0.000 0.452 537 H N -1.092 117.931 119.070 -0.079 0.000 2.547 537 H HA 0.052 4.570 4.556 -0.063 0.000 0.272 537 H C 1.329 176.588 175.328 -0.115 0.000 0.989 537 H CA 0.590 56.592 56.048 -0.077 0.000 1.214 537 H CB 0.583 30.309 29.762 -0.059 0.000 1.389 537 H HN 0.005 nan 8.280 nan 0.000 0.577 538 T N -0.060 114.492 114.554 -0.002 0.000 2.971 538 T HA 0.028 4.339 4.350 -0.065 0.000 0.252 538 T C 0.029 174.360 174.700 -0.614 0.000 1.022 538 T CA -0.331 61.658 62.100 -0.185 0.000 0.980 538 T CB 0.118 69.004 68.868 0.029 0.000 1.044 538 T HN 0.096 nan 8.240 nan 0.000 0.501 539 F N 4.244 123.833 119.950 -0.601 0.000 2.504 539 F HA 0.305 4.793 4.527 -0.065 0.000 0.369 539 F C 0.250 175.390 175.800 -1.100 0.000 1.082 539 F CA -0.099 57.348 58.000 -0.922 0.000 1.216 539 F CB 0.330 38.972 39.000 -0.598 0.000 1.108 539 F HN 0.158 nan 8.300 nan 0.000 0.554 540 H N 3.893 122.005 119.070 -1.597 0.000 2.946 540 H HA 0.597 5.114 4.556 -0.064 0.000 0.365 540 H C -1.150 173.419 175.328 -1.266 0.000 1.197 540 H CA -0.916 54.377 56.048 -1.258 0.000 1.131 540 H CB 1.738 30.823 29.762 -1.127 0.000 1.849 540 H HN 0.358 nan 8.280 nan 0.000 0.555 541 V N 2.014 121.640 119.914 -0.480 0.000 2.540 541 V HA 0.353 4.434 4.120 -0.065 0.000 0.302 541 V C 0.563 176.633 176.094 -0.040 0.000 1.035 541 V CA -0.806 61.330 62.300 -0.273 0.000 0.873 541 V CB 1.941 33.650 31.823 -0.190 0.000 0.992 541 V HN 0.566 nan 8.190 nan 0.000 0.428 542 R N 1.862 122.383 120.500 0.035 0.000 2.747 542 R HA 0.272 4.573 4.340 -0.065 0.000 0.278 542 R C 1.126 177.415 176.300 -0.019 0.000 1.153 542 R CA -0.287 55.828 56.100 0.024 0.000 1.206 542 R CB 0.815 31.107 30.300 -0.013 0.000 1.161 542 R HN 0.756 nan 8.270 nan 0.000 0.589 543 E N 0.228 120.409 120.200 -0.032 0.000 2.021 543 E HA -0.018 4.293 4.350 -0.065 0.000 0.189 543 E C 0.875 177.461 176.600 -0.025 0.000 0.980 543 E CA 0.668 57.049 56.400 -0.031 0.000 0.803 543 E CB -0.265 29.413 29.700 -0.037 0.000 0.766 543 E HN 0.666 nan 8.360 nan 0.000 0.449 544 G N 1.223 110.009 108.800 -0.024 0.000 2.647 544 G HA2 -0.158 3.763 3.960 -0.065 0.000 0.234 544 G HA3 -0.158 3.763 3.960 -0.065 0.000 0.234 544 G C 0.081 174.974 174.900 -0.012 0.000 1.252 544 G CA -0.221 44.869 45.100 -0.017 0.000 0.846 544 G HN 0.116 nan 8.290 nan 0.000 0.589 545 D N -0.140 120.255 120.400 -0.008 0.000 2.371 545 D HA -0.046 4.555 4.640 -0.065 0.000 0.221 545 D C 0.983 177.282 176.300 -0.002 0.000 0.986 545 D CA 0.550 54.547 54.000 -0.005 0.000 0.899 545 D CB 0.376 41.174 40.800 -0.004 0.000 0.902 545 D HN 0.326 nan 8.370 nan 0.000 0.530 546 E N 1.518 121.718 120.200 -0.001 0.000 2.515 546 E HA 0.012 4.323 4.350 -0.065 0.000 0.315 546 E C -0.167 176.434 176.600 0.002 0.000 1.523 546 E CA -0.136 56.266 56.400 0.003 0.000 1.704 546 E CB -0.517 29.187 29.700 0.005 0.000 1.395 546 E HN 0.358 nan 8.360 nan 0.000 0.490 547 Q N 1.285 121.085 119.800 0.000 0.000 2.814 547 Q HA -0.136 4.165 4.340 -0.065 0.000 0.310 547 Q C 0.086 176.085 176.000 -0.002 0.000 1.277 547 Q CA 0.773 56.574 55.803 -0.004 0.000 1.082 547 Q CB -0.140 28.597 28.738 -0.003 0.000 1.242 547 Q HN 0.053 nan 8.270 nan 0.000 0.464 548 R N 0.805 121.302 120.500 -0.004 0.000 2.615 548 R HA 0.280 4.581 4.340 -0.065 0.000 0.270 548 R C -0.019 176.274 176.300 -0.013 0.000 1.081 548 R CA 0.099 56.202 56.100 0.005 0.000 1.154 548 R CB 0.958 31.263 30.300 0.008 0.000 1.063 548 R HN 0.243 nan 8.270 nan 0.000 0.519 549 T N 2.818 117.366 114.554 -0.010 0.000 2.885 549 T HA 0.603 4.914 4.350 -0.065 0.000 0.285 549 T C -1.186 173.492 174.700 -0.037 0.000 1.019 549 T CA -0.485 61.537 62.100 -0.130 0.000 1.010 549 T CB 0.762 69.594 68.868 -0.060 0.000 1.022 549 T HN 0.471 nan 8.240 nan 0.000 0.466 550 F N 0.762 120.428 119.950 -0.474 0.000 2.665 550 F HA 0.754 5.242 4.527 -0.065 0.000 0.308 550 F C -2.167 173.285 175.800 -0.581 0.000 1.112 550 F CA -1.669 56.111 58.000 -0.367 0.000 0.972 550 F CB 0.858 39.722 39.000 -0.228 0.000 1.295 550 F HN 0.408 nan 8.300 nan 0.000 0.440 551 F N 1.839 121.565 119.950 -0.373 0.000 2.420 551 F HA 0.418 4.909 4.527 -0.060 0.000 0.342 551 F C 0.821 176.270 175.800 -0.585 0.000 1.113 551 F CA -0.735 56.815 58.000 -0.751 0.000 1.059 551 F CB 2.172 40.441 39.000 -1.218 0.000 1.128 551 F HN 0.667 nan 8.300 nan 0.000 0.475 552 S N 3.580 119.077 115.700 -0.339 0.000 3.149 552 S HA 0.333 4.764 4.470 -0.065 0.000 0.228 552 S C -0.256 174.330 174.600 -0.024 0.000 1.393 552 S CA -0.647 57.528 58.200 -0.043 0.000 1.224 552 S CB -1.336 61.946 63.200 0.138 0.000 1.112 552 S HN 0.413 nan 8.310 nan 0.000 0.502 553 F N 2.136 122.149 119.950 0.105 0.000 2.572 553 F HA 0.244 4.736 4.527 -0.059 0.000 0.370 553 F C -1.760 174.043 175.800 0.005 0.000 1.103 553 F CA -2.061 55.965 58.000 0.043 0.000 1.286 553 F CB -0.142 38.884 39.000 0.042 0.000 1.105 553 F HN 0.206 nan 8.300 nan 0.000 0.583 554 P HA -0.031 nan 4.420 nan 0.000 0.267 554 P C 0.036 177.395 177.300 0.099 0.000 1.200 554 P CA 0.152 63.313 63.100 0.101 0.000 0.772 554 P CB 0.796 32.530 31.700 0.057 0.000 0.855 555 A N 2.972 125.845 122.820 0.088 0.000 2.024 555 A HA -0.156 4.125 4.320 -0.065 0.000 0.220 555 A C 1.997 179.648 177.584 0.111 0.000 1.164 555 A CA 1.712 53.819 52.037 0.117 0.000 0.643 555 A CB -1.344 17.787 19.000 0.219 0.000 0.806 555 A HN 0.472 nan 8.150 nan 0.000 0.451 556 V N -0.984 118.981 119.914 0.085 0.000 3.380 556 V HA -0.034 4.047 4.120 -0.065 0.000 0.268 556 V C 1.738 177.850 176.094 0.029 0.000 1.168 556 V CA 1.747 64.086 62.300 0.064 0.000 1.156 556 V CB 0.283 32.137 31.823 0.052 0.000 0.785 556 V HN 0.319 nan 8.190 nan 0.000 0.487 557 V N -0.462 119.455 119.914 0.005 0.000 3.473 557 V HA 0.461 4.542 4.120 -0.065 0.000 0.253 557 V C 1.299 177.318 176.094 -0.126 0.000 1.340 557 V CA 0.455 62.711 62.300 -0.073 0.000 1.103 557 V CB 0.330 32.077 31.823 -0.126 0.000 0.881 557 V HN 0.445 nan 8.190 nan 0.000 0.451 558 A N 1.635 124.438 122.820 -0.029 0.000 2.555 558 A HA 0.193 4.473 4.320 -0.065 0.000 0.233 558 A C -0.894 176.667 177.584 -0.039 0.000 1.060 558 A CA -0.273 51.765 52.037 0.001 0.000 0.759 558 A CB -0.470 18.605 19.000 0.125 0.000 0.995 558 A HN 0.260 nan 8.150 nan 0.000 0.506 559 P HA -0.144 nan 4.420 nan 0.000 0.216 559 P C 0.098 177.492 177.300 0.156 0.000 1.167 559 P CA 1.981 65.078 63.100 -0.005 0.000 0.914 559 P CB -0.132 31.533 31.700 -0.058 0.000 0.793 560 F N -5.357 114.633 119.950 0.068 0.000 2.599 560 F HA 0.561 5.047 4.527 -0.068 0.000 0.311 560 F C 0.957 176.837 175.800 0.134 0.000 1.076 560 F CA -1.338 56.711 58.000 0.082 0.000 0.937 560 F CB 0.959 39.996 39.000 0.061 0.000 1.282 560 F HN -0.446 nan 8.300 nan 0.000 0.460 561 K N 0.113 120.701 120.400 0.312 0.000 2.186 561 K HA 0.173 4.454 4.320 -0.065 0.000 0.202 561 K C -0.185 176.628 176.600 0.355 0.000 1.052 561 K CA 0.910 57.365 56.287 0.280 0.000 0.965 561 K CB 0.154 32.839 32.500 0.307 0.000 0.746 561 K HN 0.584 nan 8.250 nan 0.000 0.457 562 C N -0.017 119.549 119.300 0.444 0.000 2.698 562 C HA 0.517 4.938 4.460 -0.065 0.000 0.309 562 C C -1.008 174.286 174.990 0.506 0.000 1.186 562 C CA -0.649 58.622 59.018 0.421 0.000 1.474 562 C CB 1.788 29.719 27.740 0.318 0.000 2.020 562 C HN 0.251 nan 8.230 nan 0.000 0.474 563 S N 3.201 119.144 115.700 0.404 0.000 2.552 563 S HA 0.627 5.058 4.470 -0.065 0.000 0.314 563 S C -0.610 174.121 174.600 0.220 0.000 1.099 563 S CA -0.455 57.969 58.200 0.373 0.000 1.070 563 S CB 1.075 64.510 63.200 0.392 0.000 0.998 563 S HN 1.557 nan 8.310 nan 0.000 0.474 564 V N 5.355 125.346 119.914 0.129 0.000 2.432 564 V HA 0.628 4.709 4.120 -0.065 0.000 0.275 564 V C -0.708 175.363 176.094 -0.038 0.000 1.043 564 V CA -0.433 61.889 62.300 0.036 0.000 0.925 564 V CB 0.701 32.523 31.823 -0.001 0.000 0.985 564 V HN 0.784 nan 8.190 nan 0.000 0.466 565 L N 7.854 129.015 121.223 -0.104 0.000 2.324 565 L HA 0.538 4.839 4.340 -0.065 0.000 0.274 565 L C -2.441 174.263 176.870 -0.276 0.000 1.012 565 L CA -1.581 53.131 54.840 -0.214 0.000 0.859 565 L CB 2.087 43.926 42.059 -0.365 0.000 1.224 565 L HN 0.506 nan 8.230 nan 0.000 0.429 566 P HA 0.285 nan 4.420 nan 0.000 0.286 566 P C -0.199 176.748 177.300 -0.588 0.000 1.261 566 P CA -0.548 62.200 63.100 -0.586 0.000 0.821 566 P CB 1.521 32.976 31.700 -0.409 0.000 1.013 567 L N 0.935 121.606 121.223 -0.919 0.000 2.479 567 L HA 0.049 4.350 4.340 -0.065 0.000 0.270 567 L C 1.421 178.205 176.870 -0.144 0.000 1.236 567 L CA -0.032 54.524 54.840 -0.473 0.000 0.823 567 L CB -0.248 41.527 42.059 -0.472 0.000 1.098 567 L HN 0.488 nan 8.230 nan 0.000 0.500 568 S N 0.937 116.638 115.700 0.002 0.000 3.129 568 S HA -0.146 4.285 4.470 -0.065 0.000 0.371 568 S C 0.043 174.744 174.600 0.169 0.000 1.196 568 S CA -0.477 57.771 58.200 0.080 0.000 0.989 568 S CB -0.035 63.226 63.200 0.101 0.000 0.695 568 S HN 0.437 nan 8.310 nan 0.000 0.499 569 Q N 3.550 123.423 119.800 0.121 0.000 2.557 569 Q HA 0.060 4.361 4.340 -0.065 0.000 0.316 569 Q C 0.020 176.112 176.000 0.153 0.000 1.130 569 Q CA 1.083 56.974 55.803 0.147 0.000 1.065 569 Q CB -0.298 28.490 28.738 0.084 0.000 1.014 569 Q HN 0.634 nan 8.270 nan 0.000 0.397 570 N N 0.514 119.327 118.700 0.188 0.000 2.238 570 N HA 0.135 4.836 4.740 -0.065 0.000 0.302 570 N C 0.079 175.576 175.510 -0.022 0.000 1.072 570 N CA -0.537 52.529 53.050 0.026 0.000 0.792 570 N CB 0.921 39.319 38.487 -0.149 0.000 1.425 570 N HN 0.341 nan 8.380 nan 0.000 0.478 571 Q N 0.684 120.470 119.800 -0.022 0.000 2.576 571 Q HA -0.189 4.112 4.340 -0.065 0.000 0.218 571 Q C 0.570 176.543 176.000 -0.044 0.000 0.983 571 Q CA 1.122 56.917 55.803 -0.013 0.000 0.920 571 Q CB 0.141 28.876 28.738 -0.006 0.000 0.973 571 Q HN 0.720 nan 8.270 nan 0.000 0.528 572 E N -0.807 119.294 120.200 -0.166 0.000 2.060 572 E HA -0.081 4.230 4.350 -0.065 0.000 0.189 572 E C 1.156 177.685 176.600 -0.118 0.000 0.974 572 E CA 0.434 56.699 56.400 -0.225 0.000 0.808 572 E CB 0.170 29.591 29.700 -0.464 0.000 0.768 572 E HN 0.247 nan 8.360 nan 0.000 0.453 573 F N 0.045 120.053 119.950 0.096 0.000 2.367 573 F HA -0.022 4.466 4.527 -0.065 0.000 0.298 573 F C 2.157 178.046 175.800 0.150 0.000 1.094 573 F CA 0.428 58.492 58.000 0.107 0.000 1.409 573 F CB -0.502 38.487 39.000 -0.018 0.000 1.064 573 F HN 0.122 nan 8.300 nan 0.000 0.528 574 M N 2.014 121.752 119.600 0.229 0.000 2.088 574 M HA -0.164 4.277 4.480 -0.065 0.000 0.256 574 M C -0.836 175.519 176.300 0.091 0.000 1.071 574 M CA 2.195 57.577 55.300 0.138 0.000 1.097 574 M CB -1.905 30.740 32.600 0.076 0.000 1.315 574 M HN -0.125 nan 8.290 nan 0.000 0.406 575 P HA -0.145 nan 4.420 nan 0.000 0.218 575 P C 1.389 178.587 177.300 -0.169 0.000 1.148 575 P CA 1.659 64.695 63.100 -0.106 0.000 0.822 575 P CB -0.407 31.161 31.700 -0.220 0.000 0.784 576 F N -0.444 119.509 119.950 0.005 0.000 2.234 576 F HA -0.087 4.401 4.527 -0.066 0.000 0.296 576 F C 2.558 178.354 175.800 -0.007 0.000 1.089 576 F CA 0.798 58.794 58.000 -0.008 0.000 1.343 576 F CB -1.277 37.734 39.000 0.018 0.000 1.040 576 F HN -0.307 nan 8.300 nan 0.000 0.498 577 V N 0.363 120.395 119.914 0.196 0.000 2.295 577 V HA -0.318 3.763 4.120 -0.065 0.000 0.246 577 V C 2.431 178.550 176.094 0.042 0.000 1.049 577 V CA 2.023 64.378 62.300 0.093 0.000 1.024 577 V CB -0.597 31.280 31.823 0.090 0.000 0.648 577 V HN 0.260 nan 8.190 nan 0.000 0.447 578 K N 0.003 120.424 120.400 0.034 0.000 2.057 578 K HA -0.263 4.018 4.320 -0.065 0.000 0.207 578 K C 2.201 178.796 176.600 -0.008 0.000 1.049 578 K CA 1.911 58.205 56.287 0.011 0.000 0.931 578 K CB -0.081 32.417 32.500 -0.003 0.000 0.714 578 K HN 0.423 nan 8.250 nan 0.000 0.440 579 E N 1.101 121.283 120.200 -0.030 0.000 2.106 579 E HA -0.141 4.170 4.350 -0.065 0.000 0.192 579 E C 1.892 178.479 176.600 -0.021 0.000 0.984 579 E CA 0.954 57.331 56.400 -0.039 0.000 0.806 579 E CB -0.264 29.385 29.700 -0.085 0.000 0.750 579 E HN 0.333 nan 8.360 nan 0.000 0.458 580 L N -0.151 121.062 121.223 -0.018 0.000 2.017 580 L HA -0.175 4.126 4.340 -0.065 0.000 0.208 580 L C 2.465 179.252 176.870 -0.138 0.000 1.073 580 L CA 1.771 56.579 54.840 -0.054 0.000 0.745 580 L CB -0.614 41.419 42.059 -0.044 0.000 0.894 580 L HN 0.269 nan 8.230 nan 0.000 0.432 581 S N -0.368 115.243 115.700 -0.149 0.000 2.359 581 S HA -0.252 4.179 4.470 -0.065 0.000 0.224 581 S C 1.732 176.313 174.600 -0.031 0.000 1.035 581 S CA 1.784 59.847 58.200 -0.228 0.000 1.018 581 S CB -0.165 63.064 63.200 0.048 0.000 0.876 581 S HN 0.474 nan 8.310 nan 0.000 0.448 582 E N 0.511 120.724 120.200 0.022 0.000 2.077 582 E HA -0.078 4.233 4.350 -0.065 0.000 0.193 582 E C 2.368 179.002 176.600 0.056 0.000 0.989 582 E CA 1.026 57.456 56.400 0.051 0.000 0.800 582 E CB -0.298 29.417 29.700 0.026 0.000 0.746 582 E HN 0.630 nan 8.360 nan 0.000 0.452 583 A N 0.856 123.701 122.820 0.041 0.000 1.969 583 A HA -0.127 4.154 4.320 -0.065 0.000 0.218 583 A C 2.065 179.757 177.584 0.180 0.000 1.169 583 A CA 0.782 52.881 52.037 0.103 0.000 0.635 583 A CB -0.257 18.792 19.000 0.080 0.000 0.810 583 A HN 0.138 nan 8.150 nan 0.000 0.445 584 L N -0.531 120.726 121.223 0.058 0.000 2.156 584 L HA -0.034 4.267 4.340 -0.065 0.000 0.208 584 L C 2.439 179.428 176.870 0.197 0.000 1.095 584 L CA 2.323 57.198 54.840 0.057 0.000 0.770 584 L CB -0.843 41.079 42.059 -0.229 0.000 0.914 584 L HN 0.344 nan 8.230 nan 0.000 0.439 585 T N -1.416 113.274 114.554 0.227 0.000 2.951 585 T HA -0.143 4.168 4.350 -0.065 0.000 0.268 585 T C 2.036 176.805 174.700 0.114 0.000 1.073 585 T CA 0.922 63.145 62.100 0.204 0.000 1.134 585 T CB -0.098 68.877 68.868 0.178 0.000 0.884 585 T HN 0.192 nan 8.240 nan 0.000 0.479 586 R N -0.167 120.385 120.500 0.087 0.000 2.189 586 R HA 0.008 4.309 4.340 -0.065 0.000 0.218 586 R C 1.237 177.456 176.300 -0.136 0.000 1.074 586 R CA 0.914 56.996 56.100 -0.030 0.000 0.991 586 R CB 0.012 30.271 30.300 -0.068 0.000 0.883 586 R HN 0.475 nan 8.270 nan 0.000 0.457 587 H N -1.807 117.287 119.070 0.040 0.000 2.549 587 H HA 0.271 4.787 4.556 -0.066 0.000 0.279 587 H C 0.639 175.998 175.328 0.052 0.000 1.018 587 H CA 0.504 56.574 56.048 0.037 0.000 1.175 587 H CB 1.161 30.938 29.762 0.025 0.000 1.485 587 H HN 0.322 nan 8.280 nan 0.000 0.543 588 G N 0.877 109.761 108.800 0.140 0.000 2.246 588 G HA2 -0.258 3.663 3.960 -0.065 0.000 0.273 588 G HA3 -0.258 3.663 3.960 -0.065 0.000 0.273 588 G C -0.340 174.646 174.900 0.144 0.000 1.055 588 G CA 0.401 45.571 45.100 0.117 0.000 0.851 588 G HN 0.254 nan 8.290 nan 0.000 0.500 589 V N 1.374 121.399 119.914 0.186 0.000 2.384 589 V HA 0.607 4.688 4.120 -0.065 0.000 0.287 589 V C 0.929 177.191 176.094 0.280 0.000 1.020 589 V CA -0.221 62.205 62.300 0.210 0.000 0.850 589 V CB 1.573 33.509 31.823 0.188 0.000 0.987 589 V HN 0.838 nan 8.190 nan 0.000 0.436 590 S N 5.292 121.129 115.700 0.228 0.000 2.572 590 S HA 0.533 4.964 4.470 -0.065 0.000 0.279 590 S C -0.273 174.507 174.600 0.300 0.000 1.341 590 S CA -0.452 57.853 58.200 0.176 0.000 1.043 590 S CB 0.458 63.761 63.200 0.171 0.000 0.887 590 S HN 1.023 nan 8.310 nan 0.000 0.516 591 H N -0.654 118.476 119.070 0.100 0.000 3.037 591 H HA 0.596 5.114 4.556 -0.063 0.000 0.336 591 H C -1.698 173.455 175.328 -0.292 0.000 1.323 591 H CA -1.055 55.027 56.048 0.057 0.000 1.159 591 H CB 1.406 31.218 29.762 0.084 0.000 1.882 591 H HN 0.764 nan 8.280 nan 0.000 0.535 592 K N 1.882 122.090 120.400 -0.320 0.000 2.507 592 K HA 0.392 4.673 4.320 -0.065 0.000 0.251 592 K C -1.241 175.313 176.600 -0.077 0.000 0.943 592 K CA -0.760 55.278 56.287 -0.415 0.000 0.794 592 K CB 2.780 34.710 32.500 -0.950 0.000 1.188 592 K HN 0.396 nan 8.250 nan 0.000 0.428 593 V N 3.207 123.111 119.914 -0.017 0.000 2.521 593 V HA -0.007 4.074 4.120 -0.065 0.000 0.286 593 V C 0.060 176.146 176.094 -0.014 0.000 1.034 593 V CA -0.084 62.223 62.300 0.011 0.000 1.045 593 V CB 0.908 32.744 31.823 0.021 0.000 0.974 593 V HN 0.732 nan 8.190 nan 0.000 0.480 594 D N 3.715 124.107 120.400 -0.014 0.000 2.402 594 D HA 0.125 4.726 4.640 -0.065 0.000 0.235 594 D C -0.069 176.211 176.300 -0.034 0.000 1.226 594 D CA -0.250 53.737 54.000 -0.023 0.000 0.918 594 D CB 0.376 41.145 40.800 -0.052 0.000 1.043 594 D HN 0.472 nan 8.370 nan 0.000 0.506 595 D N 2.034 122.424 120.400 -0.016 0.000 3.110 595 D HA 0.041 4.642 4.640 -0.065 0.000 0.254 595 D C -0.163 176.134 176.300 -0.005 0.000 1.283 595 D CA 0.004 53.999 54.000 -0.009 0.000 0.944 595 D CB 0.255 41.056 40.800 0.001 0.000 1.066 595 D HN 0.109 nan 8.370 nan 0.000 0.496 596 S N 0.056 115.747 115.700 -0.015 0.000 2.621 596 S HA 0.525 4.956 4.470 -0.065 0.000 0.302 596 S C -0.118 174.475 174.600 -0.010 0.000 1.093 596 S CA -0.659 57.538 58.200 -0.007 0.000 1.017 596 S CB 1.122 64.320 63.200 -0.005 0.000 1.077 596 S HN 0.164 nan 8.310 nan 0.000 0.517 597 S N 1.892 117.593 115.700 0.001 0.000 2.429 597 S HA 0.866 5.297 4.470 -0.065 0.000 0.302 597 S C 0.229 174.831 174.600 0.003 0.000 1.115 597 S CA -0.080 58.122 58.200 0.004 0.000 1.095 597 S CB 0.481 63.689 63.200 0.012 0.000 0.987 597 S HN 1.460 nan 8.310 nan 0.000 0.474 598 G N 0.999 109.799 108.800 -0.000 0.000 2.341 598 G HA2 0.347 4.268 3.960 -0.065 0.000 0.293 598 G HA3 0.347 4.268 3.960 -0.065 0.000 0.293 598 G C -0.678 174.220 174.900 -0.003 0.000 1.298 598 G CA -0.403 44.699 45.100 0.003 0.000 0.868 598 G HN 1.005 nan 8.290 nan 0.000 0.540 599 S N -1.352 114.351 115.700 0.005 0.000 2.576 599 S HA 0.234 4.665 4.470 -0.065 0.000 0.272 599 S C 1.741 176.335 174.600 -0.010 0.000 1.352 599 S CA 0.257 58.461 58.200 0.007 0.000 1.021 599 S CB 0.524 63.736 63.200 0.021 0.000 0.887 599 S HN 1.078 nan 8.310 nan 0.000 0.542 600 I N 2.790 123.357 120.570 -0.006 0.000 2.614 600 I HA 0.032 4.163 4.170 -0.065 0.000 0.258 600 I C 1.794 177.934 176.117 0.038 0.000 1.189 600 I CA 1.437 62.720 61.300 -0.028 0.000 1.462 600 I CB -0.642 37.358 38.000 0.001 0.000 1.092 600 I HN 0.823 nan 8.210 nan 0.000 0.442 601 G N 0.070 108.911 108.800 0.069 0.000 2.492 601 G HA2 -0.088 3.833 3.960 -0.065 0.000 0.214 601 G HA3 -0.088 3.833 3.960 -0.065 0.000 0.214 601 G C 1.700 176.650 174.900 0.084 0.000 1.147 601 G CA -0.068 45.096 45.100 0.106 0.000 0.809 601 G HN 0.268 nan 8.290 nan 0.000 0.533 602 R N 0.075 120.601 120.500 0.044 0.000 2.115 602 R HA 0.112 4.413 4.340 -0.065 0.000 0.226 602 R C 2.668 178.987 176.300 0.032 0.000 1.100 602 R CA 0.526 56.648 56.100 0.037 0.000 0.980 602 R CB -0.133 30.182 30.300 0.024 0.000 0.875 602 R HN 0.220 nan 8.270 nan 0.000 0.445 603 R N -0.512 119.982 120.500 -0.009 0.000 2.090 603 R HA -0.093 4.208 4.340 -0.065 0.000 0.228 603 R C 1.837 178.116 176.300 -0.035 0.000 1.110 603 R CA 1.301 57.367 56.100 -0.057 0.000 0.973 603 R CB -0.220 29.986 30.300 -0.157 0.000 0.869 603 R HN 0.337 nan 8.270 nan 0.000 0.440 604 Y N 0.502 120.809 120.300 0.012 0.000 2.293 604 Y HA -0.166 4.345 4.550 -0.066 0.000 0.291 604 Y C 2.561 178.460 175.900 -0.003 0.000 1.137 604 Y CA 0.580 58.681 58.100 0.002 0.000 1.202 604 Y CB -0.037 38.410 38.460 -0.021 0.000 0.990 604 Y HN 0.145 nan 8.280 nan 0.000 0.537 605 A N 0.334 123.247 122.820 0.156 0.000 1.940 605 A HA -0.224 4.057 4.320 -0.065 0.000 0.219 605 A C 2.148 179.795 177.584 0.104 0.000 1.176 605 A CA 1.636 53.728 52.037 0.092 0.000 0.631 605 A CB -0.522 18.516 19.000 0.063 0.000 0.814 605 A HN 0.390 nan 8.150 nan 0.000 0.446 606 R N -0.798 119.764 120.500 0.104 0.000 2.075 606 R HA -0.101 4.200 4.340 -0.065 0.000 0.232 606 R C 2.502 178.886 176.300 0.140 0.000 1.126 606 R CA 1.890 58.057 56.100 0.112 0.000 0.963 606 R CB -0.477 29.876 30.300 0.088 0.000 0.858 606 R HN 0.773 nan 8.270 nan 0.000 0.435 607 T N -1.400 113.242 114.554 0.147 0.000 2.904 607 T HA -0.067 4.244 4.350 -0.065 0.000 0.267 607 T C 1.244 176.020 174.700 0.127 0.000 1.059 607 T CA 1.150 63.340 62.100 0.150 0.000 1.137 607 T CB -0.123 68.862 68.868 0.194 0.000 0.879 607 T HN 0.046 nan 8.240 nan 0.000 0.467 608 D N 1.449 121.927 120.400 0.130 0.000 2.178 608 D HA -0.053 4.547 4.640 -0.065 0.000 0.202 608 D C 2.029 178.448 176.300 0.199 0.000 0.974 608 D CA 0.972 55.040 54.000 0.113 0.000 0.841 608 D CB -0.361 40.462 40.800 0.038 0.000 0.953 608 D HN 0.617 nan 8.370 nan 0.000 0.478 609 E N 0.197 120.518 120.200 0.202 0.000 2.153 609 E HA -0.127 4.184 4.350 -0.065 0.000 0.194 609 E C 1.892 178.776 176.600 0.473 0.000 0.988 609 E CA 0.691 57.245 56.400 0.257 0.000 0.811 609 E CB 0.027 29.858 29.700 0.218 0.000 0.746 609 E HN 0.449 nan 8.360 nan 0.000 0.466 610 I N -4.721 116.098 120.570 0.416 0.000 3.883 610 I HA 0.412 4.543 4.170 -0.065 0.000 0.326 610 I C 1.135 177.586 176.117 0.556 0.000 1.283 610 I CA 0.415 62.048 61.300 0.554 0.000 1.161 610 I CB 0.672 38.794 38.000 0.203 0.000 1.012 610 I HN 0.113 nan 8.210 nan 0.000 0.421 611 G N 1.766 110.782 108.800 0.360 0.000 2.132 611 G HA2 -0.205 3.715 3.960 -0.065 0.000 0.234 611 G HA3 -0.205 3.715 3.960 -0.065 0.000 0.234 611 G C 0.130 175.122 174.900 0.153 0.000 0.989 611 G CA 0.008 45.267 45.100 0.265 0.000 0.676 611 G HN 0.252 nan 8.290 nan 0.000 0.522 612 V N 0.821 120.722 119.914 -0.021 0.000 2.509 612 V HA 0.329 4.410 4.120 -0.065 0.000 0.297 612 V C 1.963 177.981 176.094 -0.127 0.000 1.014 612 V CA 1.088 63.280 62.300 -0.180 0.000 1.127 612 V CB 0.567 32.223 31.823 -0.279 0.000 0.925 612 V HN 0.929 nan 8.190 nan 0.000 0.480 613 A N 5.057 127.779 122.820 -0.163 0.000 1.877 613 A HA 0.075 4.355 4.320 -0.065 0.000 0.216 613 A C 0.667 177.785 177.584 -0.776 0.000 1.186 613 A CA 1.443 53.200 52.037 -0.466 0.000 0.620 613 A CB -0.150 18.575 19.000 -0.458 0.000 0.822 613 A HN 0.629 nan 8.150 nan 0.000 0.443 614 F N -2.782 117.170 119.950 0.003 0.000 2.640 614 F HA 0.656 5.144 4.527 -0.066 0.000 0.324 614 F C 0.441 176.276 175.800 0.060 0.000 1.077 614 F CA -0.505 57.486 58.000 -0.015 0.000 0.965 614 F CB 1.666 40.684 39.000 0.029 0.000 1.351 614 F HN 0.155 nan 8.300 nan 0.000 0.487 615 G N 0.033 108.993 108.800 0.267 0.000 2.731 615 G HA2 0.586 4.507 3.960 -0.065 0.000 0.298 615 G HA3 0.586 4.507 3.960 -0.065 0.000 0.298 615 G C -2.462 172.592 174.900 0.257 0.000 1.424 615 G CA -0.712 44.585 45.100 0.328 0.000 1.029 615 G HN 0.484 nan 8.290 nan 0.000 0.518 616 V N 1.655 121.707 119.914 0.229 0.000 2.407 616 V HA 0.608 4.689 4.120 -0.065 0.000 0.291 616 V C 0.343 176.480 176.094 0.072 0.000 1.018 616 V CA -0.626 61.740 62.300 0.110 0.000 0.842 616 V CB 1.526 33.368 31.823 0.031 0.000 0.996 616 V HN 1.009 nan 8.190 nan 0.000 0.426 617 T N 5.092 119.675 114.554 0.048 0.000 2.767 617 T HA 0.695 5.006 4.350 -0.065 0.000 0.288 617 T C -0.519 174.083 174.700 -0.164 0.000 0.963 617 T CA -0.346 61.720 62.100 -0.056 0.000 1.019 617 T CB 0.549 69.420 68.868 0.005 0.000 0.923 617 T HN 0.398 nan 8.240 nan 0.000 0.468 618 I N 4.928 125.341 120.570 -0.262 0.000 2.330 618 I HA 0.367 4.498 4.170 -0.065 0.000 0.289 618 I C -0.158 175.641 176.117 -0.529 0.000 1.001 618 I CA -0.816 60.287 61.300 -0.329 0.000 1.193 618 I CB 1.203 39.029 38.000 -0.289 0.000 1.345 618 I HN 0.802 nan 8.210 nan 0.000 0.461 619 D N 4.395 124.595 120.400 -0.334 0.000 2.616 619 D HA 0.310 4.911 4.640 -0.065 0.000 0.260 619 D C 0.615 176.906 176.300 -0.015 0.000 1.158 619 D CA -0.610 53.220 54.000 -0.283 0.000 1.085 619 D CB 0.506 41.247 40.800 -0.099 0.000 1.222 619 D HN 0.296 nan 8.370 nan 0.000 0.626 620 F N -0.276 119.810 119.950 0.226 0.000 2.171 620 F HA -0.065 4.423 4.527 -0.064 0.000 0.300 620 F C 1.702 177.551 175.800 0.083 0.000 1.090 620 F CA 1.035 59.158 58.000 0.206 0.000 1.293 620 F CB -0.118 38.970 39.000 0.146 0.000 1.013 620 F HN 0.208 nan 8.300 nan 0.000 0.486 621 D N -0.523 120.013 120.400 0.226 0.000 2.178 621 D HA -0.131 4.470 4.640 -0.065 0.000 0.201 621 D C 2.205 178.528 176.300 0.037 0.000 0.980 621 D CA 1.511 55.581 54.000 0.117 0.000 0.842 621 D CB -0.627 40.239 40.800 0.109 0.000 0.948 621 D HN 0.141 nan 8.370 nan 0.000 0.472 622 T N -0.240 114.307 114.554 -0.012 0.000 2.788 622 T HA -0.087 4.224 4.350 -0.065 0.000 0.268 622 T C 2.102 176.694 174.700 -0.180 0.000 1.044 622 T CA 0.749 62.785 62.100 -0.107 0.000 1.139 622 T CB -0.167 68.586 68.868 -0.191 0.000 0.867 622 T HN 0.014 nan 8.240 nan 0.000 0.454 623 V N 1.963 121.758 119.914 -0.199 0.000 2.535 623 V HA 0.023 4.104 4.120 -0.065 0.000 0.246 623 V C 1.760 177.945 176.094 0.151 0.000 1.045 623 V CA 1.114 63.254 62.300 -0.268 0.000 1.058 623 V CB -0.287 31.485 31.823 -0.085 0.000 0.689 623 V HN 0.452 nan 8.190 nan 0.000 0.461 624 N N -0.141 118.630 118.700 0.118 0.000 2.203 624 N HA 0.186 4.887 4.740 -0.065 0.000 0.207 624 N C 0.122 175.648 175.510 0.028 0.000 1.130 624 N CA 0.133 53.248 53.050 0.110 0.000 0.861 624 N CB 0.823 39.372 38.487 0.102 0.000 1.005 624 N HN 0.492 nan 8.380 nan 0.000 0.507 625 K N -0.390 119.971 120.400 -0.065 0.000 2.375 625 K HA 0.387 4.668 4.320 -0.065 0.000 0.249 625 K C -0.177 176.217 176.600 -0.343 0.000 0.942 625 K CA -0.436 55.774 56.287 -0.128 0.000 0.806 625 K CB 2.040 34.506 32.500 -0.056 0.000 1.227 625 K HN -0.267 nan 8.250 nan 0.000 0.430 626 T N 1.980 116.385 114.554 -0.249 0.000 3.214 626 T HA 0.152 4.463 4.350 -0.065 0.000 0.264 626 T C -2.142 172.458 174.700 -0.167 0.000 1.012 626 T CA -0.570 61.346 62.100 -0.306 0.000 0.901 626 T CB -0.241 68.540 68.868 -0.145 0.000 1.070 626 T HN 0.392 nan 8.240 nan 0.000 0.561 627 P HA 0.416 nan 4.420 nan 0.000 0.295 627 P C -0.996 176.257 177.300 -0.078 0.000 1.397 627 P CA -0.651 62.416 63.100 -0.056 0.000 0.903 627 P CB 0.226 31.922 31.700 -0.006 0.000 1.028 628 H N 1.169 120.274 119.070 0.058 0.000 3.253 628 H HA 0.289 4.806 4.556 -0.065 0.000 0.250 628 H C 0.878 176.208 175.328 0.005 0.000 1.051 628 H CA 0.701 56.771 56.048 0.037 0.000 1.458 628 H CB -0.126 29.724 29.762 0.145 0.000 1.549 628 H HN 0.342 nan 8.280 nan 0.000 0.506 629 T N 0.799 115.377 114.554 0.041 0.000 2.863 629 T HA 0.818 5.129 4.350 -0.065 0.000 0.285 629 T C -0.025 174.629 174.700 -0.077 0.000 1.009 629 T CA -0.912 61.181 62.100 -0.012 0.000 0.989 629 T CB 2.061 70.917 68.868 -0.019 0.000 1.004 629 T HN 0.545 nan 8.240 nan 0.000 0.455 630 A N 1.766 124.522 122.820 -0.107 0.000 2.344 630 A HA 0.896 5.176 4.320 -0.065 0.000 0.307 630 A C 0.259 177.707 177.584 -0.227 0.000 1.151 630 A CA -0.869 51.068 52.037 -0.167 0.000 0.842 630 A CB 1.466 20.393 19.000 -0.122 0.000 1.350 630 A HN 1.129 nan 8.150 nan 0.000 0.459 631 T N -0.087 114.299 114.554 -0.279 0.000 2.829 631 T HA 0.521 4.832 4.350 -0.065 0.000 0.282 631 T C -0.983 173.661 174.700 -0.093 0.000 0.990 631 T CA -0.352 61.571 62.100 -0.296 0.000 1.028 631 T CB 0.342 68.878 68.868 -0.554 0.000 0.951 631 T HN 0.893 nan 8.240 nan 0.000 0.460 632 L N 5.002 126.217 121.223 -0.013 0.000 2.296 632 L HA 0.644 4.945 4.340 -0.065 0.000 0.286 632 L C -0.065 176.943 176.870 0.231 0.000 1.023 632 L CA -0.428 54.477 54.840 0.108 0.000 0.812 632 L CB 1.173 43.295 42.059 0.105 0.000 1.223 632 L HN 0.718 nan 8.230 nan 0.000 0.421 633 R N 2.839 123.394 120.500 0.092 0.000 2.514 633 R HA 0.345 4.646 4.340 -0.065 0.000 0.301 633 R C -1.228 174.922 176.300 -0.250 0.000 0.962 633 R CA -0.699 55.340 56.100 -0.102 0.000 0.882 633 R CB 1.304 31.346 30.300 -0.430 0.000 1.143 633 R HN 0.782 nan 8.270 nan 0.000 0.452 634 D N 1.892 121.913 120.400 -0.632 0.000 2.225 634 D HA 0.083 4.684 4.640 -0.065 0.000 0.248 634 D C 1.199 177.121 176.300 -0.629 0.000 1.096 634 D CA -0.317 53.147 54.000 -0.894 0.000 0.863 634 D CB 1.164 40.914 40.800 -1.751 0.000 1.156 634 D HN 0.399 nan 8.370 nan 0.000 0.450 635 R N 3.107 123.264 120.500 -0.572 0.000 2.082 635 R HA -0.170 4.131 4.340 -0.065 0.000 0.234 635 R C 0.607 176.595 176.300 -0.519 0.000 1.136 635 R CA 1.756 57.575 56.100 -0.468 0.000 0.935 635 R CB -0.230 29.851 30.300 -0.365 0.000 0.842 635 R HN 0.624 nan 8.270 nan 0.000 0.430 636 D N 0.065 120.202 120.400 -0.438 0.000 2.087 636 D HA -0.139 4.462 4.640 -0.065 0.000 0.192 636 D C 1.922 177.968 176.300 -0.424 0.000 0.993 636 D CA 2.211 55.991 54.000 -0.367 0.000 0.828 636 D CB -0.319 40.371 40.800 -0.183 0.000 0.968 636 D HN 0.397 nan 8.370 nan 0.000 0.448 637 S N -0.811 114.658 115.700 -0.385 0.000 2.478 637 S HA 0.033 4.464 4.470 -0.065 0.000 0.222 637 S C 1.433 175.859 174.600 -0.290 0.000 1.008 637 S CA 0.466 58.490 58.200 -0.293 0.000 0.928 637 S CB 0.203 63.267 63.200 -0.227 0.000 0.781 637 S HN 0.271 nan 8.310 nan 0.000 0.518 638 M N -0.740 118.637 119.600 -0.371 0.000 2.939 638 M HA -0.184 4.256 4.480 -0.065 0.000 0.194 638 M C -0.065 176.121 176.300 -0.190 0.000 0.617 638 M CA 0.600 55.714 55.300 -0.310 0.000 0.734 638 M CB -1.149 31.294 32.600 -0.261 0.000 2.637 638 M HN 0.362 nan 8.290 nan 0.000 0.316 639 R N 1.133 121.548 120.500 -0.143 0.000 2.582 639 R HA 0.413 4.714 4.340 -0.065 0.000 0.271 639 R C 0.097 176.538 176.300 0.234 0.000 1.078 639 R CA 0.190 56.345 56.100 0.092 0.000 1.127 639 R CB 0.578 31.046 30.300 0.281 0.000 1.038 639 R HN 0.313 nan 8.270 nan 0.000 0.500 640 Q N 1.764 121.757 119.800 0.323 0.000 2.423 640 Q HA 0.534 4.835 4.340 -0.065 0.000 0.278 640 Q C -0.631 175.571 176.000 0.337 0.000 1.097 640 Q CA -0.871 55.146 55.803 0.355 0.000 0.809 640 Q CB 2.650 31.535 28.738 0.245 0.000 1.391 640 Q HN 0.551 nan 8.270 nan 0.000 0.428 641 I N -2.291 118.425 120.570 0.243 0.000 3.206 641 I HA 0.770 4.901 4.170 -0.065 0.000 0.313 641 I C -0.901 175.236 176.117 0.033 0.000 1.103 641 I CA -1.313 60.053 61.300 0.110 0.000 0.985 641 I CB 2.180 40.147 38.000 -0.056 0.000 1.240 641 I HN 0.363 nan 8.210 nan 0.000 0.464 642 R N 2.156 122.675 120.500 0.032 0.000 2.407 642 R HA 0.806 5.107 4.340 -0.065 0.000 0.298 642 R C -1.393 174.893 176.300 -0.023 0.000 1.166 642 R CA -0.159 55.907 56.100 -0.056 0.000 1.006 642 R CB 1.101 31.421 30.300 0.034 0.000 1.145 642 R HN 0.970 nan 8.270 nan 0.000 0.538 643 A N 2.464 125.219 122.820 -0.108 0.000 2.350 643 A HA 0.546 4.827 4.320 -0.065 0.000 0.318 643 A C -0.840 176.696 177.584 -0.080 0.000 1.132 643 A CA -0.787 51.177 52.037 -0.121 0.000 0.811 643 A CB 0.954 19.677 19.000 -0.461 0.000 1.313 643 A HN 0.697 nan 8.150 nan 0.000 0.454 644 E N 0.687 120.874 120.200 -0.021 0.000 2.480 644 E HA -0.003 4.308 4.350 -0.065 0.000 0.258 644 E C 0.540 177.131 176.600 -0.016 0.000 0.984 644 E CA 0.279 56.687 56.400 0.013 0.000 0.930 644 E CB 0.171 29.902 29.700 0.052 0.000 0.936 644 E HN 0.510 nan 8.360 nan 0.000 0.466 645 I N 3.424 124.011 120.570 0.027 0.000 2.700 645 I HA -0.242 3.889 4.170 -0.065 0.000 0.261 645 I C 1.453 177.579 176.117 0.015 0.000 1.219 645 I CA 1.573 62.886 61.300 0.022 0.000 1.463 645 I CB -0.026 38.030 38.000 0.092 0.000 1.092 645 I HN 0.688 nan 8.210 nan 0.000 0.452 646 S N -1.262 114.454 115.700 0.028 0.000 2.524 646 S HA 0.064 4.495 4.470 -0.065 0.000 0.216 646 S C 1.470 176.058 174.600 -0.020 0.000 0.987 646 S CA -0.015 58.196 58.200 0.018 0.000 0.909 646 S CB -0.034 63.194 63.200 0.046 0.000 0.781 646 S HN 0.540 nan 8.310 nan 0.000 0.521 647 E N 1.008 121.181 120.200 -0.045 0.000 2.364 647 E HA 0.246 4.557 4.350 -0.065 0.000 0.196 647 E C 1.665 178.160 176.600 -0.175 0.000 0.990 647 E CA 0.088 56.439 56.400 -0.082 0.000 0.886 647 E CB -0.176 29.499 29.700 -0.041 0.000 0.866 647 E HN 0.403 nan 8.360 nan 0.000 0.493 648 L N 1.394 122.507 121.223 -0.184 0.000 2.013 648 L HA -0.180 4.121 4.340 -0.065 0.000 0.212 648 L C -0.631 176.099 176.870 -0.233 0.000 1.073 648 L CA 1.606 56.315 54.840 -0.219 0.000 0.753 648 L CB -1.337 40.626 42.059 -0.161 0.000 0.890 648 L HN 0.116 nan 8.230 nan 0.000 0.432 649 P HA -0.148 nan 4.420 nan 0.000 0.216 649 P C 1.704 178.698 177.300 -0.510 0.000 1.153 649 P CA 1.493 64.382 63.100 -0.350 0.000 0.858 649 P CB 0.055 31.519 31.700 -0.393 0.000 0.789 650 S N -0.249 115.147 115.700 -0.506 0.000 2.368 650 S HA -0.113 4.318 4.470 -0.065 0.000 0.224 650 S C 1.902 176.386 174.600 -0.194 0.000 1.029 650 S CA 1.377 59.366 58.200 -0.351 0.000 0.988 650 S CB -1.063 62.028 63.200 -0.181 0.000 0.838 650 S HN 0.311 nan 8.310 nan 0.000 0.462 651 I N -0.807 119.639 120.570 -0.206 0.000 2.876 651 I HA 0.057 4.188 4.170 -0.065 0.000 0.264 651 I C 1.718 177.697 176.117 -0.230 0.000 1.204 651 I CA 0.698 61.887 61.300 -0.185 0.000 1.485 651 I CB -0.331 37.518 38.000 -0.252 0.000 1.103 651 I HN 0.023 nan 8.210 nan 0.000 0.446 652 V N 1.347 121.101 119.914 -0.268 0.000 2.488 652 V HA -0.207 3.874 4.120 -0.065 0.000 0.246 652 V C 2.706 178.678 176.094 -0.205 0.000 1.046 652 V CA 2.006 64.099 62.300 -0.344 0.000 1.053 652 V CB -0.787 30.886 31.823 -0.250 0.000 0.679 652 V HN 0.547 nan 8.190 nan 0.000 0.458 653 Q N -0.086 119.643 119.800 -0.118 0.000 2.084 653 Q HA -0.252 4.049 4.340 -0.065 0.000 0.202 653 Q C 1.738 177.737 176.000 -0.001 0.000 0.978 653 Q CA 1.881 57.674 55.803 -0.016 0.000 0.844 653 Q CB -0.060 28.691 28.738 0.022 0.000 0.898 653 Q HN 0.560 nan 8.270 nan 0.000 0.426 654 D N 0.030 120.410 120.400 -0.033 0.000 2.317 654 D HA -0.028 4.573 4.640 -0.065 0.000 0.211 654 D C 1.734 178.042 176.300 0.014 0.000 0.966 654 D CA 0.514 54.514 54.000 0.000 0.000 0.876 654 D CB 0.186 40.984 40.800 -0.003 0.000 0.927 654 D HN 0.300 nan 8.370 nan 0.000 0.519 655 L N 0.123 121.320 121.223 -0.043 0.000 2.168 655 L HA 0.064 4.364 4.340 -0.065 0.000 0.203 655 L C 2.427 179.408 176.870 0.185 0.000 1.078 655 L CA 0.632 55.487 54.840 0.025 0.000 0.780 655 L CB -0.231 41.673 42.059 -0.258 0.000 0.939 655 L HN -0.070 nan 8.230 nan 0.000 0.451 656 A N 0.268 123.183 122.820 0.158 0.000 1.845 656 A HA -0.129 4.152 4.320 -0.065 0.000 0.215 656 A C 0.876 178.562 177.584 0.170 0.000 1.195 656 A CA 1.223 53.416 52.037 0.261 0.000 0.616 656 A CB -0.702 18.431 19.000 0.221 0.000 0.832 656 A HN 0.414 nan 8.150 nan 0.000 0.443 657 N N 1.192 119.962 118.700 0.118 0.000 2.406 657 N HA 0.263 4.964 4.740 -0.065 0.000 0.265 657 N C 0.587 176.152 175.510 0.091 0.000 1.203 657 N CA 0.605 53.711 53.050 0.094 0.000 0.945 657 N CB 0.444 38.977 38.487 0.076 0.000 1.165 657 N HN 0.349 nan 8.380 nan 0.000 0.485 658 G N 2.016 110.873 108.800 0.095 0.000 3.231 658 G HA2 -0.218 3.703 3.960 -0.065 0.000 0.213 658 G HA3 -0.218 3.703 3.960 -0.065 0.000 0.213 658 G C 1.055 176.001 174.900 0.076 0.000 1.058 658 G CA -0.102 45.055 45.100 0.095 0.000 1.643 658 G HN 0.464 nan 8.290 nan 0.000 0.548 659 N N 0.044 118.785 118.700 0.068 0.000 2.300 659 N HA 0.027 4.728 4.740 -0.065 0.000 0.179 659 N C 1.146 176.688 175.510 0.053 0.000 1.016 659 N CA 0.925 54.007 53.050 0.053 0.000 0.876 659 N CB 0.186 38.700 38.487 0.045 0.000 0.979 659 N HN 0.729 nan 8.380 nan 0.000 0.432 660 I N -2.745 117.863 120.570 0.063 0.000 2.969 660 I HA 0.479 4.610 4.170 -0.065 0.000 0.307 660 I C -0.178 176.001 176.117 0.103 0.000 1.149 660 I CA -0.997 60.342 61.300 0.065 0.000 1.008 660 I CB 2.249 40.276 38.000 0.046 0.000 1.232 660 I HN -0.185 nan 8.210 nan 0.000 0.435 661 T N -1.199 113.420 114.554 0.107 0.000 2.897 661 T HA 0.204 4.515 4.350 -0.065 0.000 0.278 661 T C 0.604 175.432 174.700 0.214 0.000 0.981 661 T CA -0.493 61.709 62.100 0.169 0.000 0.973 661 T CB 1.673 70.624 68.868 0.139 0.000 1.092 661 T HN 0.935 nan 8.240 nan 0.000 0.543 662 W N 0.505 121.858 121.300 0.087 0.000 2.388 662 W HA -0.068 4.553 4.660 -0.065 0.000 0.294 662 W C 2.172 178.729 176.519 0.065 0.000 1.212 662 W CA 1.207 58.604 57.345 0.088 0.000 1.271 662 W CB -0.554 28.965 29.460 0.099 0.000 1.126 662 W HN 0.906 nan 8.180 nan 0.000 0.535 663 A N 0.845 123.741 122.820 0.126 0.000 1.908 663 A HA -0.262 4.019 4.320 -0.065 0.000 0.218 663 A C 1.594 179.143 177.584 -0.058 0.000 1.181 663 A CA 2.223 54.270 52.037 0.017 0.000 0.627 663 A CB -1.067 17.971 19.000 0.063 0.000 0.818 663 A HN 0.223 nan 8.150 nan 0.000 0.445 664 D N -0.263 120.122 120.400 -0.025 0.000 2.104 664 D HA -0.118 4.483 4.640 -0.065 0.000 0.194 664 D C 2.025 178.273 176.300 -0.087 0.000 0.994 664 D CA 1.476 55.452 54.000 -0.040 0.000 0.830 664 D CB -0.561 40.239 40.800 -0.001 0.000 0.959 664 D HN 0.215 nan 8.370 nan 0.000 0.452 665 V N 0.981 120.808 119.914 -0.146 0.000 2.343 665 V HA -0.203 3.878 4.120 -0.065 0.000 0.247 665 V C 2.085 178.040 176.094 -0.232 0.000 1.051 665 V CA 1.585 63.776 62.300 -0.181 0.000 1.036 665 V CB -0.437 31.120 31.823 -0.443 0.000 0.654 665 V HN 0.227 nan 8.190 nan 0.000 0.451 666 E N -0.261 119.700 120.200 -0.399 0.000 2.472 666 E HA -0.051 4.260 4.350 -0.065 0.000 0.200 666 E C 2.003 178.516 176.600 -0.145 0.000 1.046 666 E CA 0.804 57.033 56.400 -0.284 0.000 0.871 666 E CB -0.081 29.450 29.700 -0.282 0.000 0.806 666 E HN 0.621 nan 8.360 nan 0.000 0.533 667 A N 0.369 123.109 122.820 -0.134 0.000 2.147 667 A HA 0.065 4.346 4.320 -0.065 0.000 0.211 667 A C 1.845 179.339 177.584 -0.151 0.000 1.160 667 A CA 0.289 52.260 52.037 -0.110 0.000 0.781 667 A CB 0.256 19.205 19.000 -0.086 0.000 0.842 667 A HN -0.014 nan 8.150 nan 0.000 0.475 668 R N -2.043 118.328 120.500 -0.216 0.000 2.221 668 R HA 0.292 4.593 4.340 -0.065 0.000 0.195 668 R C -0.671 175.282 176.300 -0.578 0.000 0.956 668 R CA 0.496 56.335 56.100 -0.434 0.000 1.064 668 R CB 0.028 29.957 30.300 -0.619 0.000 1.049 668 R HN 0.496 nan 8.270 nan 0.000 0.534 669 Y N 0.544 120.771 120.300 -0.121 0.000 2.429 669 Y HA 0.442 4.953 4.550 -0.065 0.000 0.342 669 Y C -2.092 173.758 175.900 -0.083 0.000 1.004 669 Y CA -3.385 54.654 58.100 -0.101 0.000 1.075 669 Y CB 0.946 39.329 38.460 -0.128 0.000 1.214 669 Y HN -0.168 nan 8.280 nan 0.000 0.455 670 P HA -0.012 nan 4.420 nan 0.000 0.267 670 P C -0.793 176.567 177.300 0.100 0.000 1.200 670 P CA -0.058 63.090 63.100 0.080 0.000 0.772 670 P CB 0.547 32.307 31.700 0.099 0.000 0.855 671 L N 2.817 124.093 121.223 0.089 0.000 2.456 671 L HA 0.494 4.795 4.340 -0.065 0.000 0.257 671 L C -0.004 176.993 176.870 0.212 0.000 1.162 671 L CA 0.214 55.126 54.840 0.120 0.000 0.808 671 L CB -0.240 41.861 42.059 0.070 0.000 1.136 671 L HN 0.296 nan 8.230 nan 0.000 0.466 672 F N -0.510 119.466 119.950 0.043 0.000 2.608 672 F HA 0.620 5.108 4.527 -0.065 0.000 0.309 672 F C -0.380 175.444 175.800 0.041 0.000 1.103 672 F CA -0.278 57.746 58.000 0.040 0.000 0.954 672 F CB 1.821 40.848 39.000 0.045 0.000 1.267 672 F HN 0.409 nan 8.300 nan 0.000 0.444 673 E N 3.804 123.787 120.200 -0.360 0.000 2.642 673 E HA 0.566 4.877 4.350 -0.065 0.000 0.284 673 E C -0.003 176.442 176.600 -0.259 0.000 1.039 673 E CA -0.367 55.935 56.400 -0.164 0.000 0.777 673 E CB 0.563 30.198 29.700 -0.108 0.000 1.473 673 E HN 1.900 nan 8.360 nan 0.000 0.388 674 G N 0.000 108.765 108.800 -0.059 0.000 5.446 674 G HA2 0.000 3.921 3.960 -0.065 0.000 0.244 674 G HA3 0.000 3.921 3.960 -0.065 0.000 0.244 674 G CA 0.000 45.108 45.100 0.013 0.000 0.502 674 G HN 0.000 nan 8.290 nan 0.000 0.925