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 3pbl_1_B DATA FIRST_RESID 32 DATA SEQUENCE YALSYCALIL AIVFGNGLVC MAVLKERALQ TTTNYLVVSL AVADLLVATL DATA SEQUENCE VMPWVVYLEV TGGVWNFSRI CcDVFVTLDV MMCTASIWNL CAISIDRYTA DATA SEQUENCE VVMPXXXXXX XXXSSCRRVA LMITAVWVLA FAVSCPLLFG FNTTGDPTVc DATA SEQUENCE SISNPDFVIY SSVVSFYLPF GVTVLVYARI YVVLKQRRRK XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXGVP LREKKATQMV DATA SEQUENCE AIVLGAFIVC WLPFFLTHVL NTHCQTCHVS PELYSATTWL GYVNSALNPV DATA SEQUENCE IYTTFNIEFR KAFLKILSCX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX NIFEMLRIDE GLRLKIYKDT EGYYTIGIGH DATA SEQUENCE LLTKSPSLNA AKSELDKAIG RNTNGVITKD EAEKLFNQDV DAAVRGILRN DATA SEQUENCE AKLKPVYDSL DAVRRAALIN MVFQMGETGV AGFTNSLRML QQKRWDEAAV DATA SEQUENCE NLAKSRWYNQ TPNRAKRVIT TFRTGTWDAY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 32 Y HA 0.000 nan 4.550 nan 0.000 0.201 32 Y C 0.000 175.966 175.900 0.111 0.000 1.272 32 Y CA 0.000 58.158 58.100 0.097 0.000 1.940 32 Y CB 0.000 38.541 38.460 0.135 0.000 1.050 33 A N 0.650 123.544 122.820 0.124 0.000 1.845 33 A HA -0.084 4.224 4.320 -0.021 0.000 0.215 33 A C 1.782 179.427 177.584 0.102 0.000 1.195 33 A CA 2.175 54.262 52.037 0.083 0.000 0.616 33 A CB -0.487 18.530 19.000 0.027 0.000 0.832 33 A HN 0.397 nan 8.150 nan 0.000 0.443 34 L N -1.265 120.009 121.223 0.084 0.000 2.638 34 L HA 0.105 4.433 4.340 -0.021 0.000 0.232 34 L C 2.210 179.151 176.870 0.118 0.000 1.099 34 L CA 0.317 55.208 54.840 0.084 0.000 0.883 34 L CB 0.286 42.369 42.059 0.040 0.000 1.136 34 L HN 0.251 nan 8.230 nan 0.000 0.492 35 S N -0.795 114.985 115.700 0.133 0.000 2.474 35 S HA -0.098 4.360 4.470 -0.021 0.000 0.235 35 S C 1.592 176.340 174.600 0.247 0.000 0.997 35 S CA 1.021 59.308 58.200 0.144 0.000 0.949 35 S CB -0.098 63.115 63.200 0.022 0.000 0.766 35 S HN 0.367 nan 8.310 nan 0.000 0.517 36 Y N 0.416 120.829 120.300 0.188 0.000 2.301 36 Y HA -0.025 4.511 4.550 -0.023 0.000 0.295 36 Y C 2.673 178.634 175.900 0.102 0.000 1.119 36 Y CA 0.110 58.318 58.100 0.180 0.000 1.162 36 Y CB -0.669 37.871 38.460 0.133 0.000 1.046 36 Y HN 0.256 nan 8.280 nan 0.000 0.538 37 C N -0.246 119.189 119.300 0.225 0.000 2.413 37 C HA -0.218 4.230 4.460 -0.021 0.000 0.277 37 C C 2.945 177.990 174.990 0.092 0.000 1.265 37 C CA 1.036 60.129 59.018 0.125 0.000 1.752 37 C CB -1.580 26.212 27.740 0.086 0.000 1.998 37 C HN 0.606 nan 8.230 nan 0.000 0.489 38 A N 0.312 123.187 122.820 0.092 0.000 1.855 38 A HA -0.101 4.206 4.320 -0.021 0.000 0.215 38 A C 2.012 179.630 177.584 0.057 0.000 1.191 38 A CA 1.511 53.585 52.037 0.061 0.000 0.613 38 A CB -0.738 18.297 19.000 0.059 0.000 0.829 38 A HN 0.452 nan 8.150 nan 0.000 0.442 39 L N -0.021 121.243 121.223 0.069 0.000 2.265 39 L HA -0.072 4.255 4.340 -0.021 0.000 0.215 39 L C 2.040 178.933 176.870 0.039 0.000 1.117 39 L CA 1.248 56.106 54.840 0.029 0.000 0.782 39 L CB -0.465 41.579 42.059 -0.025 0.000 0.914 39 L HN 0.451 nan 8.230 nan 0.000 0.441 40 I N -1.540 119.069 120.570 0.065 0.000 2.163 40 I HA -0.315 3.842 4.170 -0.021 0.000 0.240 40 I C 2.207 178.373 176.117 0.082 0.000 1.081 40 I CA 1.198 62.544 61.300 0.075 0.000 1.353 40 I CB -0.228 37.820 38.000 0.079 0.000 1.054 40 I HN 0.206 nan 8.210 nan 0.000 0.407 41 L N 0.465 121.732 121.223 0.074 0.000 2.056 41 L HA -0.162 4.165 4.340 -0.021 0.000 0.207 41 L C 2.904 179.843 176.870 0.115 0.000 1.078 41 L CA 1.216 56.108 54.840 0.087 0.000 0.749 41 L CB -0.936 41.156 42.059 0.055 0.000 0.901 41 L HN 0.226 nan 8.230 nan 0.000 0.433 42 A N 0.564 123.425 122.820 0.069 0.000 1.958 42 A HA -0.236 4.071 4.320 -0.021 0.000 0.221 42 A C 2.222 179.890 177.584 0.140 0.000 1.178 42 A CA 1.878 53.960 52.037 0.075 0.000 0.642 42 A CB -0.684 18.332 19.000 0.026 0.000 0.816 42 A HN 0.366 nan 8.150 nan 0.000 0.453 43 I N -0.854 119.783 120.570 0.112 0.000 2.193 43 I HA -0.178 3.980 4.170 -0.021 0.000 0.240 43 I C 2.331 178.534 176.117 0.142 0.000 1.084 43 I CA 1.178 62.550 61.300 0.118 0.000 1.365 43 I CB -0.232 37.831 38.000 0.105 0.000 1.064 43 I HN 0.159 nan 8.210 nan 0.000 0.410 44 V N 0.456 120.454 119.914 0.141 0.000 2.515 44 V HA -0.284 3.824 4.120 -0.021 0.000 0.250 44 V C 2.168 178.341 176.094 0.133 0.000 1.058 44 V CA 1.708 64.082 62.300 0.124 0.000 1.064 44 V CB -0.760 31.128 31.823 0.108 0.000 0.675 44 V HN 0.364 nan 8.190 nan 0.000 0.461 45 F N 1.867 121.837 119.950 0.033 0.000 2.031 45 F HA -0.013 4.501 4.527 -0.021 0.000 0.295 45 F C 2.267 178.081 175.800 0.024 0.000 1.133 45 F CA 1.992 60.005 58.000 0.022 0.000 1.188 45 F CB -0.922 38.093 39.000 0.025 0.000 0.974 45 F HN 0.131 nan 8.300 nan 0.000 0.473 46 G N 0.370 109.344 108.800 0.289 0.000 2.552 46 G HA2 -0.322 3.626 3.960 -0.021 0.000 0.216 46 G HA3 -0.322 3.626 3.960 -0.021 0.000 0.216 46 G C 1.488 176.437 174.900 0.081 0.000 1.240 46 G CA 1.063 46.280 45.100 0.195 0.000 0.796 46 G HN 0.445 nan 8.290 nan 0.000 0.568 47 N N 1.249 120.013 118.700 0.106 0.000 2.364 47 N HA -0.097 4.630 4.740 -0.021 0.000 0.183 47 N C 2.335 177.879 175.510 0.057 0.000 1.022 47 N CA 0.910 54.029 53.050 0.115 0.000 0.883 47 N CB -0.201 38.368 38.487 0.137 0.000 0.965 47 N HN 0.358 nan 8.380 nan 0.000 0.438 48 G N 1.439 110.233 108.800 -0.010 0.000 2.418 48 G HA2 -0.183 3.765 3.960 -0.021 0.000 0.217 48 G HA3 -0.183 3.765 3.960 -0.021 0.000 0.217 48 G C 1.507 176.321 174.900 -0.144 0.000 1.158 48 G CA 0.387 45.448 45.100 -0.065 0.000 0.771 48 G HN 0.118 nan 8.290 nan 0.000 0.545 49 L N 0.549 121.604 121.223 -0.281 0.000 2.201 49 L HA 0.049 4.377 4.340 -0.021 0.000 0.212 49 L C 2.985 179.643 176.870 -0.353 0.000 1.105 49 L CA 0.576 55.117 54.840 -0.498 0.000 0.775 49 L CB -0.546 40.961 42.059 -0.921 0.000 0.913 49 L HN 0.083 nan 8.230 nan 0.000 0.440 50 V N -1.719 118.184 119.914 -0.019 0.000 2.343 50 V HA -0.328 3.780 4.120 -0.021 0.000 0.247 50 V C 2.489 178.689 176.094 0.177 0.000 1.051 50 V CA 1.748 64.189 62.300 0.236 0.000 1.036 50 V CB -0.620 31.375 31.823 0.288 0.000 0.654 50 V HN 0.536 nan 8.190 nan 0.000 0.451 51 C N -0.678 118.677 119.300 0.091 0.000 2.476 51 C HA -0.112 4.335 4.460 -0.021 0.000 0.278 51 C C 2.866 177.881 174.990 0.042 0.000 1.274 51 C CA 0.715 59.782 59.018 0.081 0.000 1.713 51 C CB -0.824 26.951 27.740 0.059 0.000 2.039 51 C HN 0.475 nan 8.230 nan 0.000 0.484 52 M N 0.869 120.454 119.600 -0.026 0.000 2.202 52 M HA -0.121 4.346 4.480 -0.021 0.000 0.262 52 M C 2.345 178.629 176.300 -0.028 0.000 1.063 52 M CA 1.844 57.110 55.300 -0.056 0.000 1.097 52 M CB -1.169 31.348 32.600 -0.139 0.000 1.382 52 M HN 0.507 nan 8.290 nan 0.000 0.413 53 A N -0.153 122.675 122.820 0.013 0.000 1.835 53 A HA -0.048 4.259 4.320 -0.021 0.000 0.213 53 A C 2.296 179.932 177.584 0.087 0.000 1.210 53 A CA 1.283 53.386 52.037 0.111 0.000 0.605 53 A CB -0.962 18.278 19.000 0.400 0.000 0.860 53 A HN 0.238 nan 8.150 nan 0.000 0.447 54 V N 0.386 120.376 119.914 0.126 0.000 2.332 54 V HA -0.237 3.870 4.120 -0.021 0.000 0.248 54 V C 2.354 178.455 176.094 0.011 0.000 1.055 54 V CA 1.954 64.267 62.300 0.022 0.000 1.038 54 V CB -0.721 31.135 31.823 0.055 0.000 0.651 54 V HN 0.529 nan 8.190 nan 0.000 0.450 55 L N -1.142 120.115 121.223 0.057 0.000 2.554 55 L HA 0.026 4.353 4.340 -0.021 0.000 0.226 55 L C 2.206 179.098 176.870 0.037 0.000 1.137 55 L CA 0.829 55.710 54.840 0.069 0.000 0.863 55 L CB -0.325 41.781 42.059 0.078 0.000 0.985 55 L HN 0.286 nan 8.230 nan 0.000 0.451 56 K N -0.613 119.797 120.400 0.017 0.000 2.287 56 K HA 0.117 4.424 4.320 -0.021 0.000 0.199 56 K C 0.218 176.815 176.600 -0.004 0.000 1.061 56 K CA 0.136 56.427 56.287 0.006 0.000 0.976 56 K CB 0.639 33.138 32.500 -0.001 0.000 0.898 56 K HN 0.057 nan 8.250 nan 0.000 0.492 57 E N 1.683 121.872 120.200 -0.018 0.000 2.167 57 E HA 0.124 4.461 4.350 -0.021 0.000 0.284 57 E C 0.621 177.185 176.600 -0.060 0.000 1.016 57 E CA -0.118 56.259 56.400 -0.038 0.000 0.817 57 E CB 1.384 31.053 29.700 -0.051 0.000 1.080 57 E HN 0.047 nan 8.360 nan 0.000 0.397 58 R N 1.803 122.275 120.500 -0.046 0.000 2.075 58 R HA -0.065 4.263 4.340 -0.021 0.000 0.232 58 R C 1.717 177.970 176.300 -0.079 0.000 1.126 58 R CA 1.202 57.274 56.100 -0.047 0.000 0.963 58 R CB -0.589 29.695 30.300 -0.026 0.000 0.858 58 R HN 0.497 nan 8.270 nan 0.000 0.435 59 A N 0.728 123.499 122.820 -0.083 0.000 2.178 59 A HA -0.035 4.273 4.320 -0.021 0.000 0.218 59 A C 1.933 179.421 177.584 -0.160 0.000 1.157 59 A CA 0.879 52.855 52.037 -0.100 0.000 0.689 59 A CB -0.271 18.680 19.000 -0.081 0.000 0.787 59 A HN 0.188 nan 8.150 nan 0.000 0.465 60 L N -1.032 120.066 121.223 -0.207 0.000 2.728 60 L HA 0.103 4.431 4.340 -0.021 0.000 0.238 60 L C 0.711 177.379 176.870 -0.336 0.000 1.143 60 L CA 0.018 54.662 54.840 -0.327 0.000 0.937 60 L CB 0.143 41.935 42.059 -0.444 0.000 1.225 60 L HN 0.400 nan 8.230 nan 0.000 0.507 61 Q N 0.937 120.564 119.800 -0.288 0.000 3.179 61 Q HA 0.098 4.425 4.340 -0.021 0.000 0.328 61 Q C -0.086 175.628 176.000 -0.476 0.000 1.336 61 Q CA -0.056 55.479 55.803 -0.446 0.000 0.939 61 Q CB -0.078 28.524 28.738 -0.226 0.000 1.658 61 Q HN 0.206 nan 8.270 nan 0.000 0.486 62 T N -0.571 113.734 114.554 -0.414 0.000 2.904 62 T HA -0.025 4.312 4.350 -0.021 0.000 0.290 62 T C 1.524 176.110 174.700 -0.190 0.000 1.018 62 T CA -0.245 61.714 62.100 -0.235 0.000 1.075 62 T CB 1.483 70.257 68.868 -0.158 0.000 0.986 62 T HN 0.309 nan 8.240 nan 0.000 0.523 63 T N 1.449 115.997 114.554 -0.010 0.000 2.737 63 T HA -0.176 4.162 4.350 -0.021 0.000 0.269 63 T C 1.938 176.691 174.700 0.087 0.000 1.040 63 T CA 2.280 64.440 62.100 0.101 0.000 1.142 63 T CB -0.596 68.315 68.868 0.072 0.000 0.861 63 T HN 0.663 nan 8.240 nan 0.000 0.456 64 T N 1.493 116.064 114.554 0.028 0.000 2.896 64 T HA 0.012 4.350 4.350 -0.021 0.000 0.263 64 T C 1.898 176.620 174.700 0.037 0.000 1.050 64 T CA 1.004 63.130 62.100 0.043 0.000 1.140 64 T CB -0.296 68.593 68.868 0.035 0.000 0.877 64 T HN 0.411 nan 8.240 nan 0.000 0.457 65 N N 0.730 119.407 118.700 -0.039 0.000 2.331 65 N HA -0.013 4.714 4.740 -0.021 0.000 0.180 65 N C 1.278 176.786 175.510 -0.003 0.000 1.019 65 N CA 0.713 53.736 53.050 -0.044 0.000 0.881 65 N CB -0.450 37.945 38.487 -0.154 0.000 0.972 65 N HN 0.392 nan 8.380 nan 0.000 0.435 66 Y N 0.893 121.227 120.300 0.056 0.000 2.333 66 Y HA 0.028 4.565 4.550 -0.022 0.000 0.290 66 Y C 2.059 178.012 175.900 0.089 0.000 1.144 66 Y CA 0.419 58.558 58.100 0.066 0.000 1.228 66 Y CB -0.471 38.019 38.460 0.050 0.000 0.985 66 Y HN 0.049 nan 8.280 nan 0.000 0.542 67 L N -1.632 119.725 121.223 0.224 0.000 2.209 67 L HA -0.120 4.208 4.340 -0.021 0.000 0.207 67 L C 2.130 179.095 176.870 0.158 0.000 1.094 67 L CA 0.328 55.273 54.840 0.175 0.000 0.790 67 L CB -0.392 41.746 42.059 0.131 0.000 0.932 67 L HN -0.001 nan 8.230 nan 0.000 0.447 68 V N -1.142 118.847 119.914 0.125 0.000 2.490 68 V HA -0.236 3.871 4.120 -0.021 0.000 0.250 68 V C 2.368 178.558 176.094 0.161 0.000 1.061 68 V CA 1.240 63.600 62.300 0.101 0.000 1.064 68 V CB -0.289 31.501 31.823 -0.055 0.000 0.670 68 V HN 0.190 nan 8.190 nan 0.000 0.461 69 V N -0.292 119.733 119.914 0.185 0.000 2.295 69 V HA -0.262 3.845 4.120 -0.021 0.000 0.246 69 V C 2.721 178.962 176.094 0.245 0.000 1.049 69 V CA 2.471 64.898 62.300 0.212 0.000 1.024 69 V CB -0.383 31.577 31.823 0.229 0.000 0.648 69 V HN 0.634 nan 8.190 nan 0.000 0.447 70 S N -0.601 115.264 115.700 0.274 0.000 2.383 70 S HA -0.193 4.265 4.470 -0.021 0.000 0.229 70 S C 1.899 176.720 174.600 0.369 0.000 1.030 70 S CA 1.925 60.359 58.200 0.391 0.000 1.002 70 S CB -0.334 63.096 63.200 0.383 0.000 0.829 70 S HN 0.399 nan 8.310 nan 0.000 0.467 71 L N 1.946 123.311 121.223 0.236 0.000 2.005 71 L HA 0.168 4.495 4.340 -0.021 0.000 0.207 71 L C 2.554 179.568 176.870 0.240 0.000 1.072 71 L CA 2.250 57.203 54.840 0.188 0.000 0.744 71 L CB -1.623 40.533 42.059 0.163 0.000 0.895 71 L HN 0.292 nan 8.230 nan 0.000 0.433 72 A N -0.812 122.157 122.820 0.249 0.000 1.892 72 A HA -0.203 4.104 4.320 -0.021 0.000 0.218 72 A C 2.283 180.011 177.584 0.240 0.000 1.188 72 A CA 2.403 54.584 52.037 0.238 0.000 0.631 72 A CB -1.295 17.840 19.000 0.226 0.000 0.822 72 A HN 0.351 nan 8.150 nan 0.000 0.447 73 V N -0.007 120.066 119.914 0.266 0.000 2.252 73 V HA -0.351 3.756 4.120 -0.021 0.000 0.249 73 V C 3.058 179.366 176.094 0.357 0.000 1.056 73 V CA 2.251 64.708 62.300 0.262 0.000 1.022 73 V CB -1.575 30.390 31.823 0.237 0.000 0.641 73 V HN 0.685 nan 8.190 nan 0.000 0.445 74 A N 0.224 123.359 122.820 0.526 0.000 1.929 74 A HA -0.368 3.940 4.320 -0.021 0.000 0.221 74 A C 1.952 179.731 177.584 0.325 0.000 1.211 74 A CA 2.623 54.942 52.037 0.471 0.000 0.657 74 A CB -0.786 18.342 19.000 0.213 0.000 0.827 74 A HN 0.632 nan 8.150 nan 0.000 0.462 75 D N -0.362 120.200 120.400 0.271 0.000 2.137 75 D HA -0.022 4.605 4.640 -0.021 0.000 0.202 75 D C 1.965 178.393 176.300 0.213 0.000 0.970 75 D CA 0.850 54.993 54.000 0.238 0.000 0.837 75 D CB -0.435 40.489 40.800 0.208 0.000 0.981 75 D HN 0.474 nan 8.370 nan 0.000 0.475 76 L N 0.300 121.640 121.223 0.195 0.000 2.131 76 L HA -0.128 4.200 4.340 -0.021 0.000 0.210 76 L C 2.312 179.276 176.870 0.156 0.000 1.092 76 L CA 0.706 55.640 54.840 0.156 0.000 0.759 76 L CB -0.236 41.900 42.059 0.128 0.000 0.903 76 L HN 0.025 nan 8.230 nan 0.000 0.435 77 L N -1.793 119.542 121.223 0.186 0.000 2.270 77 L HA -0.073 4.254 4.340 -0.021 0.000 0.210 77 L C 2.367 179.362 176.870 0.208 0.000 1.104 77 L CA 0.120 55.068 54.840 0.180 0.000 0.804 77 L CB -0.277 41.895 42.059 0.188 0.000 0.937 77 L HN -0.016 nan 8.230 nan 0.000 0.450 78 V N 0.382 120.438 119.914 0.237 0.000 2.295 78 V HA -0.280 3.827 4.120 -0.021 0.000 0.246 78 V C 2.790 179.018 176.094 0.222 0.000 1.049 78 V CA 1.910 64.368 62.300 0.263 0.000 1.024 78 V CB -0.909 31.110 31.823 0.327 0.000 0.648 78 V HN 0.471 nan 8.190 nan 0.000 0.447 79 A N 0.594 123.527 122.820 0.187 0.000 1.972 79 A HA -0.207 4.101 4.320 -0.021 0.000 0.219 79 A C 2.405 180.067 177.584 0.131 0.000 1.169 79 A CA 2.575 54.696 52.037 0.141 0.000 0.635 79 A CB -0.712 18.364 19.000 0.127 0.000 0.810 79 A HN 0.662 nan 8.150 nan 0.000 0.446 80 T N -2.927 111.713 114.554 0.143 0.000 3.033 80 T HA 0.239 4.577 4.350 -0.021 0.000 0.248 80 T C 1.653 176.454 174.700 0.168 0.000 1.040 80 T CA 0.784 62.959 62.100 0.126 0.000 1.133 80 T CB -0.215 68.716 68.868 0.105 0.000 0.895 80 T HN 0.240 nan 8.240 nan 0.000 0.465 81 L N 0.326 121.679 121.223 0.217 0.000 2.463 81 L HA 0.299 4.627 4.340 -0.021 0.000 0.219 81 L C 2.198 179.337 176.870 0.448 0.000 1.088 81 L CA 0.264 55.279 54.840 0.292 0.000 0.849 81 L CB 0.026 42.221 42.059 0.228 0.000 1.012 81 L HN 0.175 nan 8.230 nan 0.000 0.468 82 V N -0.996 119.161 119.914 0.406 0.000 2.840 82 V HA 0.008 4.115 4.120 -0.021 0.000 0.234 82 V C 2.142 178.553 176.094 0.527 0.000 1.159 82 V CA 0.585 63.206 62.300 0.535 0.000 1.194 82 V CB 0.236 32.263 31.823 0.340 0.000 0.971 82 V HN 0.195 nan 8.190 nan 0.000 0.494 83 M N 0.196 119.945 119.600 0.248 0.000 2.358 83 M HA -0.086 4.381 4.480 -0.021 0.000 0.264 83 M C -0.601 175.765 176.300 0.110 0.000 1.064 83 M CA 1.879 57.230 55.300 0.085 0.000 1.093 83 M CB -1.132 31.457 32.600 -0.018 0.000 1.401 83 M HN 0.287 nan 8.290 nan 0.000 0.440 84 P HA -0.147 nan 4.420 nan 0.000 0.216 84 P C 0.654 177.882 177.300 -0.121 0.000 1.153 84 P CA 1.415 64.467 63.100 -0.079 0.000 0.848 84 P CB -0.203 31.360 31.700 -0.229 0.000 0.787 85 W N -1.047 120.276 121.300 0.039 0.000 2.436 85 W HA -0.059 4.590 4.660 -0.018 0.000 0.284 85 W C 2.139 178.658 176.519 -0.001 0.000 1.225 85 W CA 0.420 57.739 57.345 -0.044 0.000 1.271 85 W CB -1.554 27.733 29.460 -0.288 0.000 1.114 85 W HN -0.278 nan 8.180 nan 0.000 0.559 86 V N -0.143 119.926 119.914 0.257 0.000 2.490 86 V HA -0.270 3.837 4.120 -0.021 0.000 0.250 86 V C 1.979 178.010 176.094 -0.105 0.000 1.061 86 V CA 1.366 63.738 62.300 0.120 0.000 1.064 86 V CB -1.120 30.743 31.823 0.066 0.000 0.670 86 V HN 0.047 nan 8.190 nan 0.000 0.461 87 V N -0.616 119.250 119.914 -0.080 0.000 2.295 87 V HA -0.289 3.818 4.120 -0.021 0.000 0.246 87 V C 2.233 178.310 176.094 -0.027 0.000 1.049 87 V CA 2.546 64.787 62.300 -0.099 0.000 1.024 87 V CB -0.668 31.144 31.823 -0.018 0.000 0.648 87 V HN 0.712 nan 8.190 nan 0.000 0.447 88 Y N 0.547 120.797 120.300 -0.083 0.000 2.070 88 Y HA -0.253 4.284 4.550 -0.022 0.000 0.280 88 Y C 2.151 178.057 175.900 0.010 0.000 1.148 88 Y CA 1.881 59.952 58.100 -0.048 0.000 1.125 88 Y CB -0.576 37.847 38.460 -0.061 0.000 0.975 88 Y HN 0.174 nan 8.280 nan 0.000 0.492 89 L N 0.425 121.552 121.223 -0.160 0.000 2.261 89 L HA -0.197 4.131 4.340 -0.021 0.000 0.216 89 L C 2.351 179.126 176.870 -0.158 0.000 1.114 89 L CA 1.430 56.157 54.840 -0.188 0.000 0.777 89 L CB -0.372 41.745 42.059 0.096 0.000 0.910 89 L HN 0.348 nan 8.230 nan 0.000 0.440 90 E N -1.006 119.100 120.200 -0.156 0.000 2.140 90 E HA -0.076 4.261 4.350 -0.021 0.000 0.191 90 E C 2.325 178.867 176.600 -0.098 0.000 0.973 90 E CA 0.698 57.018 56.400 -0.133 0.000 0.829 90 E CB 0.049 29.625 29.700 -0.207 0.000 0.781 90 E HN 0.277 nan 8.360 nan 0.000 0.466 91 V N 1.885 121.732 119.914 -0.112 0.000 2.220 91 V HA -0.193 3.915 4.120 -0.021 0.000 0.246 91 V C 1.789 177.821 176.094 -0.103 0.000 1.049 91 V CA 1.996 64.249 62.300 -0.078 0.000 1.003 91 V CB -0.821 30.980 31.823 -0.037 0.000 0.634 91 V HN 0.386 nan 8.190 nan 0.000 0.444 92 T N -0.850 113.583 114.554 -0.203 0.000 2.868 92 T HA 0.351 4.688 4.350 -0.021 0.000 0.292 92 T C 0.785 175.406 174.700 -0.132 0.000 1.028 92 T CA 0.005 61.997 62.100 -0.180 0.000 1.059 92 T CB 1.267 69.969 68.868 -0.276 0.000 0.991 92 T HN 0.455 nan 8.240 nan 0.000 0.531 93 G N -0.421 108.335 108.800 -0.074 0.000 3.180 93 G HA2 0.432 4.379 3.960 -0.021 0.000 0.252 93 G HA3 0.432 4.379 3.960 -0.021 0.000 0.252 93 G C 1.214 176.102 174.900 -0.020 0.000 0.871 93 G CA -0.270 44.810 45.100 -0.034 0.000 1.979 93 G HN 1.849 nan 8.290 nan 0.000 0.624 94 G N -1.077 107.701 108.800 -0.038 0.000 2.184 94 G HA2 -0.283 3.664 3.960 -0.021 0.000 0.264 94 G HA3 -0.283 3.664 3.960 -0.021 0.000 0.264 94 G C 0.456 175.384 174.900 0.048 0.000 0.975 94 G CA 0.232 45.341 45.100 0.016 0.000 0.642 94 G HN 0.814 nan 8.290 nan 0.000 0.536 95 V N 1.015 120.928 119.914 -0.002 0.000 2.686 95 V HA 0.493 4.600 4.120 -0.021 0.000 0.295 95 V C 0.378 176.555 176.094 0.138 0.000 1.055 95 V CA -0.243 62.096 62.300 0.064 0.000 1.050 95 V CB 1.486 33.321 31.823 0.020 0.000 0.984 95 V HN 0.334 nan 8.190 nan 0.000 0.482 96 W N 5.631 126.983 121.300 0.087 0.000 2.393 96 W HA 0.429 5.079 4.660 -0.017 0.000 0.315 96 W C -0.300 176.342 176.519 0.206 0.000 1.009 96 W CA -0.769 56.733 57.345 0.263 0.000 1.313 96 W CB 1.442 31.041 29.460 0.232 0.000 1.269 96 W HN 0.709 nan 8.180 nan 0.000 0.420 97 N N 4.003 122.649 118.700 -0.090 0.000 2.238 97 N HA 0.099 4.827 4.740 -0.021 0.000 0.222 97 N C -0.500 174.714 175.510 -0.494 0.000 1.133 97 N CA -0.135 52.779 53.050 -0.227 0.000 0.854 97 N CB 0.317 38.660 38.487 -0.242 0.000 1.041 97 N HN 0.038 nan 8.380 nan 0.000 0.510 98 F N 0.063 119.749 119.950 -0.440 0.000 2.410 98 F HA 0.359 4.874 4.527 -0.020 0.000 0.324 98 F C 1.344 177.258 175.800 0.191 0.000 1.093 98 F CA -1.065 56.805 58.000 -0.218 0.000 1.028 98 F CB 0.573 39.312 39.000 -0.435 0.000 1.309 98 F HN -0.226 nan 8.300 nan 0.000 0.499 99 S N 0.701 116.642 115.700 0.401 0.000 2.559 99 S HA 0.002 4.459 4.470 -0.021 0.000 0.282 99 S C 1.534 176.362 174.600 0.379 0.000 1.336 99 S CA -0.555 57.830 58.200 0.308 0.000 1.037 99 S CB 0.495 63.820 63.200 0.208 0.000 0.853 99 S HN 0.522 nan 8.310 nan 0.000 0.523 100 R N 2.625 123.264 120.500 0.232 0.000 2.120 100 R HA -0.054 4.273 4.340 -0.021 0.000 0.234 100 R C 1.943 178.295 176.300 0.087 0.000 1.123 100 R CA 1.156 57.340 56.100 0.140 0.000 0.975 100 R CB -1.094 29.257 30.300 0.085 0.000 0.866 100 R HN 0.664 nan 8.270 nan 0.000 0.446 101 I N 0.108 120.739 120.570 0.100 0.000 2.179 101 I HA -0.287 3.871 4.170 -0.021 0.000 0.242 101 I C 2.706 178.859 176.117 0.060 0.000 1.088 101 I CA 1.159 62.501 61.300 0.069 0.000 1.357 101 I CB -0.775 37.269 38.000 0.074 0.000 1.051 101 I HN 0.145 nan 8.210 nan 0.000 0.409 102 C N -0.027 119.340 119.300 0.111 0.000 2.413 102 C HA -0.245 4.202 4.460 -0.021 0.000 0.277 102 C C 3.336 178.364 174.990 0.063 0.000 1.265 102 C CA 1.153 60.213 59.018 0.071 0.000 1.752 102 C CB -1.274 26.519 27.740 0.088 0.000 1.998 102 C HN 0.785 nan 8.230 nan 0.000 0.489 103 c N 1.148 119.773 118.600 0.041 0.000 2.432 103 c HA -0.100 4.457 4.570 -0.021 0.000 0.277 103 c C 2.408 176.392 174.090 -0.176 0.000 1.249 103 c CA 1.944 58.040 56.329 -0.390 0.000 1.725 103 c CB -1.504 40.606 42.510 -0.666 0.000 2.028 103 c HN 0.637 nan 8.230 nan 0.000 0.477 104 D N 0.380 120.717 120.400 -0.106 0.000 2.097 104 D HA -0.121 4.506 4.640 -0.021 0.000 0.195 104 D C 2.346 178.600 176.300 -0.077 0.000 0.989 104 D CA 1.666 55.608 54.000 -0.097 0.000 0.827 104 D CB -0.487 40.273 40.800 -0.066 0.000 0.966 104 D HN 0.448 nan 8.370 nan 0.000 0.456 105 V N 1.400 121.293 119.914 -0.036 0.000 2.343 105 V HA -0.244 3.863 4.120 -0.021 0.000 0.247 105 V C 2.216 178.299 176.094 -0.020 0.000 1.051 105 V CA 1.372 63.664 62.300 -0.013 0.000 1.036 105 V CB -0.627 31.194 31.823 -0.003 0.000 0.654 105 V HN 0.078 nan 8.190 nan 0.000 0.451 106 F N 0.901 120.727 119.950 -0.207 0.000 2.069 106 F HA -0.187 4.332 4.527 -0.014 0.000 0.298 106 F C 2.197 177.939 175.800 -0.097 0.000 1.113 106 F CA 2.091 59.966 58.000 -0.208 0.000 1.214 106 F CB -0.585 38.225 39.000 -0.317 0.000 0.978 106 F HN -0.026 nan 8.300 nan 0.000 0.474 107 V N 0.423 120.114 119.914 -0.372 0.000 2.548 107 V HA -0.228 3.879 4.120 -0.021 0.000 0.249 107 V C 2.573 178.506 176.094 -0.268 0.000 1.055 107 V CA 2.086 64.124 62.300 -0.436 0.000 1.065 107 V CB -1.171 30.508 31.823 -0.239 0.000 0.681 107 V HN 0.677 nan 8.190 nan 0.000 0.462 108 T N -2.353 112.098 114.554 -0.171 0.000 3.023 108 T HA -0.048 4.289 4.350 -0.021 0.000 0.266 108 T C 1.755 176.445 174.700 -0.017 0.000 1.093 108 T CA 0.789 62.836 62.100 -0.089 0.000 1.129 108 T CB -0.166 68.655 68.868 -0.079 0.000 0.899 108 T HN 0.238 nan 8.240 nan 0.000 0.491 109 L N 1.752 122.952 121.223 -0.038 0.000 2.072 109 L HA 0.171 4.498 4.340 -0.021 0.000 0.205 109 L C 2.401 179.274 176.870 0.004 0.000 1.079 109 L CA 1.540 56.400 54.840 0.033 0.000 0.752 109 L CB -0.971 41.122 42.059 0.056 0.000 0.906 109 L HN 0.277 nan 8.230 nan 0.000 0.436 110 D N -1.023 119.297 120.400 -0.132 0.000 2.117 110 D HA -0.152 4.476 4.640 -0.021 0.000 0.197 110 D C 2.174 178.433 176.300 -0.069 0.000 0.987 110 D CA 1.035 54.974 54.000 -0.102 0.000 0.829 110 D CB 0.219 40.856 40.800 -0.272 0.000 0.961 110 D HN 0.071 nan 8.370 nan 0.000 0.460 111 V N 0.482 120.353 119.914 -0.071 0.000 2.453 111 V HA -0.194 3.913 4.120 -0.021 0.000 0.247 111 V C 2.485 178.582 176.094 0.005 0.000 1.048 111 V CA 1.673 63.954 62.300 -0.032 0.000 1.049 111 V CB -0.512 31.339 31.823 0.047 0.000 0.672 111 V HN 0.328 nan 8.190 nan 0.000 0.457 112 M N -0.544 119.087 119.600 0.052 0.000 2.065 112 M HA -0.228 4.239 4.480 -0.021 0.000 0.259 112 M C 2.194 178.540 176.300 0.077 0.000 1.069 112 M CA 2.062 57.426 55.300 0.107 0.000 1.110 112 M CB -0.123 32.604 32.600 0.211 0.000 1.328 112 M HN 0.203 nan 8.290 nan 0.000 0.405 113 M N -0.404 119.257 119.600 0.101 0.000 2.229 113 M HA -0.163 4.304 4.480 -0.021 0.000 0.264 113 M C 2.543 178.865 176.300 0.037 0.000 1.063 113 M CA 1.220 56.587 55.300 0.111 0.000 1.114 113 M CB -2.304 30.414 32.600 0.195 0.000 1.387 113 M HN 0.612 nan 8.290 nan 0.000 0.420 114 C N 0.627 119.903 119.300 -0.039 0.000 2.466 114 C HA -0.116 4.332 4.460 -0.021 0.000 0.278 114 C C 2.789 177.728 174.990 -0.084 0.000 1.288 114 C CA 1.633 60.553 59.018 -0.163 0.000 1.722 114 C CB -0.959 26.462 27.740 -0.532 0.000 2.017 114 C HN 0.564 nan 8.230 nan 0.000 0.488 115 T N 1.350 115.875 114.554 -0.049 0.000 2.652 115 T HA -0.125 4.212 4.350 -0.021 0.000 0.267 115 T C 2.182 176.883 174.700 0.002 0.000 1.039 115 T CA 2.029 64.143 62.100 0.023 0.000 1.153 115 T CB -0.797 68.111 68.868 0.067 0.000 0.863 115 T HN 0.722 nan 8.240 nan 0.000 0.428 116 A N 1.502 124.248 122.820 -0.123 0.000 1.884 116 A HA -0.191 4.116 4.320 -0.021 0.000 0.219 116 A C 2.643 180.043 177.584 -0.307 0.000 1.197 116 A CA 2.384 54.199 52.037 -0.370 0.000 0.637 116 A CB -1.224 17.323 19.000 -0.756 0.000 0.827 116 A HN 0.441 nan 8.150 nan 0.000 0.450 117 S N -0.751 114.828 115.700 -0.202 0.000 2.359 117 S HA -0.202 4.255 4.470 -0.021 0.000 0.223 117 S C 1.903 176.236 174.600 -0.445 0.000 1.039 117 S CA 1.669 59.751 58.200 -0.197 0.000 1.042 117 S CB -0.488 62.740 63.200 0.046 0.000 0.915 117 S HN 0.553 nan 8.310 nan 0.000 0.439 118 I N 0.350 120.568 120.570 -0.588 0.000 2.179 118 I HA -0.112 4.045 4.170 -0.021 0.000 0.242 118 I C 1.740 177.544 176.117 -0.521 0.000 1.088 118 I CA 1.261 62.080 61.300 -0.801 0.000 1.357 118 I CB -0.429 37.138 38.000 -0.722 0.000 1.051 118 I HN 0.391 nan 8.210 nan 0.000 0.409 119 W N 0.595 121.701 121.300 -0.323 0.000 2.425 119 W HA -0.125 4.573 4.660 0.064 0.000 0.277 119 W C 2.502 178.891 176.519 -0.218 0.000 1.231 119 W CA 0.767 57.966 57.345 -0.244 0.000 1.248 119 W CB -0.607 28.723 29.460 -0.217 0.000 1.117 119 W HN 0.142 nan 8.180 nan 0.000 0.568 120 N N 0.412 119.077 118.700 -0.059 0.000 2.120 120 N HA -0.131 4.596 4.740 -0.021 0.000 0.188 120 N C 1.663 177.144 175.510 -0.050 0.000 1.024 120 N CA 1.355 54.368 53.050 -0.062 0.000 0.852 120 N CB -0.644 37.787 38.487 -0.093 0.000 1.003 120 N HN 0.201 nan 8.380 nan 0.000 0.424 121 L N -0.267 120.873 121.223 -0.138 0.000 2.131 121 L HA -0.148 4.179 4.340 -0.021 0.000 0.210 121 L C 2.723 179.559 176.870 -0.057 0.000 1.092 121 L CA 0.569 55.344 54.840 -0.108 0.000 0.759 121 L CB -0.427 41.488 42.059 -0.240 0.000 0.903 121 L HN 0.258 nan 8.230 nan 0.000 0.435 122 C N -0.120 119.116 119.300 -0.108 0.000 2.466 122 C HA -0.036 4.411 4.460 -0.021 0.000 0.278 122 C C 3.136 178.135 174.990 0.015 0.000 1.288 122 C CA 0.612 59.590 59.018 -0.066 0.000 1.722 122 C CB -0.657 27.017 27.740 -0.109 0.000 2.017 122 C HN 0.585 nan 8.230 nan 0.000 0.488 123 A N 0.562 123.412 122.820 0.052 0.000 1.873 123 A HA -0.169 4.138 4.320 -0.021 0.000 0.218 123 A C 2.048 179.655 177.584 0.039 0.000 1.193 123 A CA 2.157 54.227 52.037 0.055 0.000 0.629 123 A CB -0.788 18.249 19.000 0.062 0.000 0.826 123 A HN 0.633 nan 8.150 nan 0.000 0.447 124 I N 0.652 121.249 120.570 0.044 0.000 2.208 124 I HA -0.305 3.852 4.170 -0.021 0.000 0.245 124 I C 2.984 179.115 176.117 0.023 0.000 1.097 124 I CA 1.648 62.983 61.300 0.059 0.000 1.363 124 I CB -0.330 37.726 38.000 0.093 0.000 1.051 124 I HN 0.584 nan 8.210 nan 0.000 0.413 125 S N 1.516 117.212 115.700 -0.006 0.000 2.365 125 S HA -0.248 4.209 4.470 -0.021 0.000 0.221 125 S C 2.064 176.559 174.600 -0.176 0.000 1.037 125 S CA 1.373 59.433 58.200 -0.233 0.000 1.060 125 S CB -1.111 61.967 63.200 -0.203 0.000 0.974 125 S HN 0.401 nan 8.310 nan 0.000 0.427 126 I N 2.445 122.966 120.570 -0.081 0.000 2.185 126 I HA -0.284 3.873 4.170 -0.021 0.000 0.246 126 I C 2.643 178.798 176.117 0.063 0.000 1.088 126 I CA 2.225 63.516 61.300 -0.015 0.000 1.347 126 I CB -0.617 37.386 38.000 0.004 0.000 1.041 126 I HN 0.454 nan 8.210 nan 0.000 0.415 127 D N 0.318 120.737 120.400 0.032 0.000 2.084 127 D HA -0.171 4.456 4.640 -0.021 0.000 0.196 127 D C 2.305 178.616 176.300 0.019 0.000 0.985 127 D CA 1.114 55.137 54.000 0.037 0.000 0.826 127 D CB 0.119 40.943 40.800 0.039 0.000 0.978 127 D HN -0.021 nan 8.370 nan 0.000 0.456 128 R N -0.266 120.230 120.500 -0.007 0.000 2.117 128 R HA -0.198 4.129 4.340 -0.021 0.000 0.243 128 R C 2.224 178.507 176.300 -0.029 0.000 1.143 128 R CA 1.021 57.106 56.100 -0.026 0.000 0.968 128 R CB -1.526 28.742 30.300 -0.054 0.000 0.863 128 R HN 0.461 nan 8.270 nan 0.000 0.444 129 Y N 1.910 122.124 120.300 -0.144 0.000 2.097 129 Y HA -0.267 4.272 4.550 -0.019 0.000 0.282 129 Y C 2.187 178.043 175.900 -0.072 0.000 1.152 129 Y CA 2.347 60.377 58.100 -0.118 0.000 1.136 129 Y CB -0.642 37.740 38.460 -0.130 0.000 0.975 129 Y HN 0.048 nan 8.280 nan 0.000 0.498 130 T N 0.734 115.257 114.554 -0.051 0.000 2.759 130 T HA -0.224 4.113 4.350 -0.021 0.000 0.269 130 T C 2.067 176.678 174.700 -0.148 0.000 1.042 130 T CA 1.536 63.563 62.100 -0.121 0.000 1.140 130 T CB -0.803 68.066 68.868 0.002 0.000 0.864 130 T HN 0.512 nan 8.240 nan 0.000 0.455 131 A N 0.662 123.423 122.820 -0.098 0.000 1.897 131 A HA 0.044 4.351 4.320 -0.021 0.000 0.215 131 A C 2.520 180.039 177.584 -0.107 0.000 1.181 131 A CA 1.042 53.031 52.037 -0.080 0.000 0.620 131 A CB -0.703 18.271 19.000 -0.043 0.000 0.821 131 A HN 0.364 nan 8.150 nan 0.000 0.443 132 V N -0.781 119.054 119.914 -0.132 0.000 2.788 132 V HA -0.084 4.024 4.120 -0.021 0.000 0.251 132 V C 2.146 178.129 176.094 -0.184 0.000 1.068 132 V CA 1.606 63.831 62.300 -0.126 0.000 1.090 132 V CB 0.347 32.117 31.823 -0.089 0.000 0.710 132 V HN 0.351 nan 8.190 nan 0.000 0.467 133 V N -1.655 118.067 119.914 -0.320 0.000 3.048 133 V HA 0.231 4.338 4.120 -0.021 0.000 0.241 133 V C 0.820 176.741 176.094 -0.287 0.000 1.129 133 V CA 0.602 62.678 62.300 -0.374 0.000 1.128 133 V CB 0.212 31.585 31.823 -0.749 0.000 0.849 133 V HN 0.358 nan 8.190 nan 0.000 0.475 134 M N 2.673 122.106 119.600 -0.278 0.000 2.808 134 M HA 0.466 4.934 4.480 -0.021 0.000 0.225 134 M C -2.764 173.468 176.300 -0.114 0.000 1.103 134 M CA -2.114 53.084 55.300 -0.169 0.000 0.982 134 M CB -0.149 32.361 32.600 -0.150 0.000 1.314 134 M HN 0.153 nan 8.290 nan 0.000 0.505 146 S N 0.344 116.050 115.700 0.011 0.000 2.527 146 S HA 0.049 4.506 4.470 -0.021 0.000 0.222 146 S C 1.532 176.150 174.600 0.029 0.000 0.985 146 S CA 1.300 59.511 58.200 0.018 0.000 0.921 146 S CB -1.051 62.160 63.200 0.018 0.000 0.772 146 S HN 0.721 nan 8.310 nan 0.000 0.529 147 C N 1.373 120.690 119.300 0.029 0.000 2.437 147 C HA 0.156 4.604 4.460 -0.021 0.000 0.283 147 C C 2.464 177.447 174.990 -0.012 0.000 1.424 147 C CA -0.008 59.025 59.018 0.024 0.000 1.782 147 C CB -1.398 26.352 27.740 0.017 0.000 1.833 147 C HN 0.576 nan 8.230 nan 0.000 0.532 148 R N 0.728 121.224 120.500 -0.007 0.000 2.140 148 R HA 0.021 4.348 4.340 -0.021 0.000 0.213 148 R C 2.696 178.997 176.300 0.002 0.000 1.059 148 R CA 1.051 57.144 56.100 -0.011 0.000 1.000 148 R CB -0.331 29.963 30.300 -0.010 0.000 0.910 148 R HN 0.496 nan 8.270 nan 0.000 0.455 149 R N 1.061 121.568 120.500 0.011 0.000 2.193 149 R HA -0.028 4.299 4.340 -0.021 0.000 0.229 149 R C 2.039 178.356 176.300 0.029 0.000 1.110 149 R CA 1.459 57.570 56.100 0.018 0.000 0.988 149 R CB -1.227 29.085 30.300 0.020 0.000 0.871 149 R HN 0.051 nan 8.270 nan 0.000 0.458 150 V N 0.094 120.029 119.914 0.035 0.000 2.331 150 V HA 0.010 4.117 4.120 -0.021 0.000 0.242 150 V C 3.011 179.130 176.094 0.042 0.000 1.034 150 V CA 1.284 63.616 62.300 0.053 0.000 1.027 150 V CB -0.652 31.221 31.823 0.083 0.000 0.667 150 V HN 0.653 nan 8.190 nan 0.000 0.457 151 A N 0.117 122.943 122.820 0.010 0.000 1.927 151 A HA -0.274 4.033 4.320 -0.021 0.000 0.220 151 A C 2.181 179.778 177.584 0.021 0.000 1.185 151 A CA 2.462 54.497 52.037 -0.003 0.000 0.639 151 A CB -0.670 18.308 19.000 -0.038 0.000 0.820 151 A HN 0.441 nan 8.150 nan 0.000 0.451 152 L N -0.804 120.431 121.223 0.019 0.000 1.976 152 L HA -0.145 4.182 4.340 -0.021 0.000 0.209 152 L C 2.600 179.492 176.870 0.037 0.000 1.071 152 L CA 2.310 57.164 54.840 0.023 0.000 0.746 152 L CB -0.541 41.526 42.059 0.013 0.000 0.890 152 L HN 0.468 nan 8.230 nan 0.000 0.432 153 M N -1.012 118.611 119.600 0.039 0.000 2.088 153 M HA -0.328 4.139 4.480 -0.021 0.000 0.256 153 M C 2.276 178.617 176.300 0.068 0.000 1.071 153 M CA 2.306 57.633 55.300 0.044 0.000 1.097 153 M CB -0.578 32.053 32.600 0.051 0.000 1.315 153 M HN 0.320 nan 8.290 nan 0.000 0.406 154 I N -0.442 120.190 120.570 0.103 0.000 2.127 154 I HA -0.332 3.825 4.170 -0.021 0.000 0.241 154 I C 2.333 178.606 176.117 0.261 0.000 1.075 154 I CA 1.777 63.188 61.300 0.186 0.000 1.334 154 I CB -0.664 37.457 38.000 0.202 0.000 1.040 154 I HN 0.360 nan 8.210 nan 0.000 0.405 155 T N 0.847 115.508 114.554 0.178 0.000 2.624 155 T HA -0.306 4.032 4.350 -0.021 0.000 0.268 155 T C 2.019 176.811 174.700 0.152 0.000 1.041 155 T CA 1.766 63.966 62.100 0.166 0.000 1.159 155 T CB -0.623 68.292 68.868 0.078 0.000 0.863 155 T HN 0.520 nan 8.240 nan 0.000 0.434 156 A N 0.937 123.800 122.820 0.070 0.000 1.908 156 A HA -0.082 4.225 4.320 -0.021 0.000 0.218 156 A C 2.637 180.193 177.584 -0.046 0.000 1.181 156 A CA 1.636 53.673 52.037 0.001 0.000 0.627 156 A CB -1.168 17.810 19.000 -0.036 0.000 0.818 156 A HN 0.365 nan 8.150 nan 0.000 0.445 157 V N -2.305 117.585 119.914 -0.039 0.000 2.392 157 V HA -0.313 3.794 4.120 -0.021 0.000 0.249 157 V C 2.219 178.183 176.094 -0.217 0.000 1.059 157 V CA 2.077 64.285 62.300 -0.153 0.000 1.051 157 V CB -0.905 30.812 31.823 -0.176 0.000 0.658 157 V HN 0.804 nan 8.190 nan 0.000 0.455 158 W N -1.020 120.285 121.300 0.007 0.000 2.526 158 W HA 0.023 4.671 4.660 -0.021 0.000 0.294 158 W C 2.377 178.922 176.519 0.042 0.000 1.181 158 W CA 0.847 58.210 57.345 0.029 0.000 1.373 158 W CB -0.693 28.780 29.460 0.021 0.000 1.112 158 W HN -0.089 nan 8.180 nan 0.000 0.545 159 V N 0.968 121.035 119.914 0.254 0.000 2.282 159 V HA -0.344 3.763 4.120 -0.021 0.000 0.249 159 V C 2.098 178.272 176.094 0.133 0.000 1.057 159 V CA 1.919 64.330 62.300 0.185 0.000 1.032 159 V CB -1.245 30.644 31.823 0.110 0.000 0.645 159 V HN 0.155 nan 8.190 nan 0.000 0.447 160 L N 0.724 121.943 121.223 -0.007 0.000 2.017 160 L HA -0.111 4.217 4.340 -0.021 0.000 0.208 160 L C 2.506 179.329 176.870 -0.078 0.000 1.073 160 L CA 2.325 57.086 54.840 -0.132 0.000 0.745 160 L CB -0.903 40.921 42.059 -0.392 0.000 0.894 160 L HN 0.232 nan 8.230 nan 0.000 0.432 161 A N -1.057 121.737 122.820 -0.044 0.000 1.948 161 A HA -0.308 3.999 4.320 -0.021 0.000 0.220 161 A C 2.246 179.922 177.584 0.154 0.000 1.177 161 A CA 2.223 54.275 52.037 0.025 0.000 0.636 161 A CB -1.147 17.845 19.000 -0.014 0.000 0.815 161 A HN 0.564 nan 8.150 nan 0.000 0.449 162 F N 0.424 120.410 119.950 0.060 0.000 2.187 162 F HA 0.171 4.695 4.527 -0.005 0.000 0.295 162 F C 2.513 178.343 175.800 0.050 0.000 1.091 162 F CA 0.634 58.677 58.000 0.071 0.000 1.308 162 F CB -0.565 38.494 39.000 0.098 0.000 1.030 162 F HN 0.239 nan 8.300 nan 0.000 0.487 163 A N -0.179 122.646 122.820 0.007 0.000 1.908 163 A HA -0.158 4.149 4.320 -0.021 0.000 0.218 163 A C 2.307 179.852 177.584 -0.066 0.000 1.181 163 A CA 2.072 54.068 52.037 -0.068 0.000 0.627 163 A CB -1.395 17.607 19.000 0.002 0.000 0.818 163 A HN 0.241 nan 8.150 nan 0.000 0.445 164 V N -0.196 119.708 119.914 -0.017 0.000 2.515 164 V HA -0.169 3.939 4.120 -0.021 0.000 0.250 164 V C 2.624 178.782 176.094 0.107 0.000 1.058 164 V CA 2.248 64.591 62.300 0.072 0.000 1.064 164 V CB -0.366 31.456 31.823 -0.000 0.000 0.675 164 V HN 0.583 nan 8.190 nan 0.000 0.461 165 S N -0.294 115.397 115.700 -0.014 0.000 2.421 165 S HA -0.144 4.313 4.470 -0.021 0.000 0.224 165 S C 2.078 176.562 174.600 -0.192 0.000 1.035 165 S CA 1.081 59.283 58.200 0.002 0.000 0.953 165 S CB -0.380 62.818 63.200 -0.003 0.000 0.810 165 S HN 0.864 nan 8.310 nan 0.000 0.497 166 C N 2.488 121.494 119.300 -0.491 0.000 2.401 166 C HA 0.014 4.461 4.460 -0.021 0.000 0.286 166 C C -0.594 173.758 174.990 -1.064 0.000 1.332 166 C CA 0.373 58.896 59.018 -0.826 0.000 1.795 166 C CB -2.237 24.942 27.740 -0.935 0.000 1.922 166 C HN 0.317 nan 8.230 nan 0.000 0.520 167 P HA -0.107 nan 4.420 nan 0.000 0.217 167 P C 1.795 178.914 177.300 -0.300 0.000 1.148 167 P CA 1.383 64.286 63.100 -0.327 0.000 0.828 167 P CB -0.290 31.427 31.700 0.028 0.000 0.783 168 L N -1.891 119.119 121.223 -0.355 0.000 2.191 168 L HA -0.148 4.179 4.340 -0.021 0.000 0.212 168 L C 2.225 178.937 176.870 -0.262 0.000 1.103 168 L CA 1.055 55.681 54.840 -0.355 0.000 0.769 168 L CB -0.757 41.057 42.059 -0.408 0.000 0.908 168 L HN 0.010 nan 8.230 nan 0.000 0.438 169 L N -1.432 119.558 121.223 -0.388 0.000 2.418 169 L HA -0.068 4.259 4.340 -0.021 0.000 0.218 169 L C 1.240 178.093 176.870 -0.030 0.000 1.125 169 L CA 0.299 54.991 54.840 -0.247 0.000 0.835 169 L CB -0.004 41.897 42.059 -0.263 0.000 0.953 169 L HN 0.193 nan 8.230 nan 0.000 0.454 170 F N -0.600 119.360 119.950 0.016 0.000 2.641 170 F HA 0.403 4.909 4.527 -0.036 0.000 0.302 170 F C 1.594 177.403 175.800 0.015 0.000 1.098 170 F CA -0.300 57.715 58.000 0.025 0.000 1.318 170 F CB -0.468 38.557 39.000 0.042 0.000 1.035 170 F HN 0.042 nan 8.300 nan 0.000 0.551 171 G N -0.564 108.307 108.800 0.119 0.000 2.138 171 G HA2 -0.306 3.641 3.960 -0.021 0.000 0.193 171 G HA3 -0.306 3.641 3.960 -0.021 0.000 0.193 171 G C 0.760 175.653 174.900 -0.012 0.000 0.998 171 G CA -0.190 44.931 45.100 0.036 0.000 0.668 171 G HN 0.281 nan 8.290 nan 0.000 0.516 172 F N 1.188 121.089 119.950 -0.082 0.000 2.661 172 F HA 0.257 4.783 4.527 -0.001 0.000 0.298 172 F C 1.556 177.235 175.800 -0.201 0.000 1.137 172 F CA 0.628 58.561 58.000 -0.112 0.000 1.454 172 F CB 0.236 39.164 39.000 -0.120 0.000 1.103 172 F HN 0.226 nan 8.300 nan 0.000 0.577 173 N N 0.974 119.644 118.700 -0.050 0.000 3.050 173 N HA -0.016 4.711 4.740 -0.021 0.000 0.289 173 N C -0.598 174.879 175.510 -0.054 0.000 1.209 173 N CA 0.054 53.043 53.050 -0.101 0.000 1.154 173 N CB -0.464 37.932 38.487 -0.151 0.000 1.444 173 N HN 0.052 nan 8.380 nan 0.000 0.529 174 T N -1.620 112.918 114.554 -0.027 0.000 2.780 174 T HA 0.184 4.521 4.350 -0.021 0.000 0.294 174 T C 1.079 175.770 174.700 -0.016 0.000 0.949 174 T CA -0.553 61.529 62.100 -0.030 0.000 1.074 174 T CB 1.611 70.455 68.868 -0.040 0.000 0.910 174 T HN 0.256 nan 8.240 nan 0.000 0.501 175 T N 1.706 116.249 114.554 -0.018 0.000 3.111 175 T HA 0.425 4.763 4.350 -0.021 0.000 0.236 175 T C 1.917 176.612 174.700 -0.008 0.000 0.984 175 T CA 1.419 63.513 62.100 -0.012 0.000 1.195 175 T CB -0.890 67.971 68.868 -0.011 0.000 0.929 175 T HN 1.514 nan 8.240 nan 0.000 0.431 176 G N 1.135 109.932 108.800 -0.005 0.000 2.205 176 G HA2 -0.178 3.769 3.960 -0.021 0.000 0.261 176 G HA3 -0.178 3.769 3.960 -0.021 0.000 0.261 176 G C -0.075 174.829 174.900 0.006 0.000 0.980 176 G CA 0.572 45.671 45.100 -0.002 0.000 0.632 176 G HN 0.795 nan 8.290 nan 0.000 0.533 177 D N -0.376 120.031 120.400 0.011 0.000 2.478 177 D HA 0.444 5.071 4.640 -0.021 0.000 0.240 177 D C -1.329 174.994 176.300 0.038 0.000 1.364 177 D CA -1.474 52.540 54.000 0.023 0.000 0.987 177 D CB 1.722 42.535 40.800 0.021 0.000 1.328 177 D HN 0.024 nan 8.370 nan 0.000 0.584 178 P HA -0.062 nan 4.420 nan 0.000 0.226 178 P C 1.100 178.477 177.300 0.129 0.000 1.153 178 P CA 0.888 64.033 63.100 0.075 0.000 0.777 178 P CB 0.014 31.759 31.700 0.076 0.000 0.794 179 T N -3.954 110.676 114.554 0.126 0.000 3.100 179 T HA 0.130 4.467 4.350 -0.021 0.000 0.253 179 T C 0.676 175.498 174.700 0.202 0.000 1.118 179 T CA -0.045 62.166 62.100 0.185 0.000 1.058 179 T CB -0.520 68.423 68.868 0.125 0.000 0.953 179 T HN -0.186 nan 8.240 nan 0.000 0.515 180 V N 1.459 121.447 119.914 0.122 0.000 2.398 180 V HA 0.463 4.571 4.120 -0.021 0.000 0.286 180 V C -0.073 176.038 176.094 0.029 0.000 1.026 180 V CA -1.292 61.064 62.300 0.094 0.000 0.868 180 V CB 1.076 32.930 31.823 0.052 0.000 0.982 180 V HN 0.549 nan 8.190 nan 0.000 0.443 181 c N 6.430 125.032 118.600 0.004 0.000 2.294 181 c HA 0.833 5.391 4.570 -0.021 0.000 0.319 181 c C 0.241 174.334 174.090 0.006 0.000 1.164 181 c CA -0.099 56.130 56.329 -0.165 0.000 1.497 181 c CB -0.922 41.181 42.510 -0.679 0.000 2.061 181 c HN 1.065 nan 8.230 nan 0.000 0.438 182 S N 4.732 120.449 115.700 0.028 0.000 2.588 182 S HA 0.589 5.047 4.470 -0.021 0.000 0.269 182 S C -0.996 173.656 174.600 0.086 0.000 1.157 182 S CA -0.778 57.497 58.200 0.124 0.000 0.824 182 S CB 0.607 63.912 63.200 0.175 0.000 1.126 182 S HN 0.599 nan 8.310 nan 0.000 0.464 183 I N 3.176 123.839 120.570 0.155 0.000 2.372 183 I HA 0.153 4.310 4.170 -0.021 0.000 0.298 183 I C 1.207 177.449 176.117 0.208 0.000 1.137 183 I CA -0.225 61.154 61.300 0.131 0.000 1.314 183 I CB 0.508 38.597 38.000 0.149 0.000 1.444 183 I HN 0.851 nan 8.210 nan 0.000 0.541 184 S N 3.105 118.868 115.700 0.106 0.000 2.517 184 S HA 0.021 4.478 4.470 -0.021 0.000 0.214 184 S C 0.889 175.535 174.600 0.076 0.000 0.991 184 S CA -0.402 57.838 58.200 0.066 0.000 0.906 184 S CB -0.100 63.107 63.200 0.011 0.000 0.789 184 S HN 0.685 nan 8.310 nan 0.000 0.513 185 N N 3.293 122.074 118.700 0.136 0.000 2.468 185 N HA 0.131 4.858 4.740 -0.021 0.000 0.265 185 N C -2.036 173.593 175.510 0.198 0.000 1.199 185 N CA -1.141 52.022 53.050 0.188 0.000 0.928 185 N CB 1.318 40.008 38.487 0.338 0.000 1.059 185 N HN 0.008 nan 8.380 nan 0.000 0.467 186 P HA -0.050 nan 4.420 nan 0.000 0.218 186 P C 0.399 177.843 177.300 0.240 0.000 1.149 186 P CA 0.991 64.088 63.100 -0.005 0.000 0.817 186 P CB 0.422 32.076 31.700 -0.077 0.000 0.785 187 D N -1.400 119.182 120.400 0.303 0.000 2.120 187 D HA -0.092 4.536 4.640 -0.021 0.000 0.202 187 D C 1.762 178.239 176.300 0.295 0.000 0.972 187 D CA 0.844 55.039 54.000 0.325 0.000 0.837 187 D CB -0.957 40.066 40.800 0.372 0.000 0.989 187 D HN 0.104 nan 8.370 nan 0.000 0.469 188 F N 1.808 121.863 119.950 0.176 0.000 2.161 188 F HA -0.216 4.299 4.527 -0.021 0.000 0.300 188 F C 2.196 178.079 175.800 0.138 0.000 1.089 188 F CA 0.935 58.944 58.000 0.015 0.000 1.282 188 F CB -0.089 38.873 39.000 -0.064 0.000 1.010 188 F HN -0.244 nan 8.300 nan 0.000 0.485 189 V N 0.869 120.978 119.914 0.325 0.000 2.287 189 V HA -0.341 3.766 4.120 -0.021 0.000 0.248 189 V C 2.345 178.521 176.094 0.136 0.000 1.053 189 V CA 2.292 64.728 62.300 0.226 0.000 1.027 189 V CB -0.625 31.377 31.823 0.297 0.000 0.646 189 V HN 0.363 nan 8.190 nan 0.000 0.447 190 I N -0.866 119.822 120.570 0.198 0.000 2.179 190 I HA -0.287 3.870 4.170 -0.021 0.000 0.242 190 I C 2.464 178.611 176.117 0.049 0.000 1.088 190 I CA 2.179 63.556 61.300 0.129 0.000 1.357 190 I CB -0.579 37.493 38.000 0.121 0.000 1.051 190 I HN 0.433 nan 8.210 nan 0.000 0.409 191 Y N 0.815 121.036 120.300 -0.132 0.000 2.224 191 Y HA -0.259 4.226 4.550 -0.108 0.000 0.289 191 Y C 2.716 178.432 175.900 -0.306 0.000 1.146 191 Y CA 1.803 59.759 58.100 -0.240 0.000 1.182 191 Y CB -0.427 37.804 38.460 -0.381 0.000 0.983 191 Y HN 0.048 nan 8.280 nan 0.000 0.524 192 S N -0.542 114.702 115.700 -0.760 0.000 2.371 192 S HA -0.144 4.313 4.470 -0.021 0.000 0.224 192 S C 2.231 176.680 174.600 -0.253 0.000 1.029 192 S CA 1.342 59.104 58.200 -0.730 0.000 0.978 192 S CB -0.788 62.084 63.200 -0.546 0.000 0.833 192 S HN 0.752 nan 8.310 nan 0.000 0.466 193 S N 0.783 116.463 115.700 -0.033 0.000 2.382 193 S HA -0.058 4.399 4.470 -0.021 0.000 0.228 193 S C 1.815 176.452 174.600 0.062 0.000 1.027 193 S CA 1.263 59.541 58.200 0.130 0.000 0.991 193 S CB -0.867 62.519 63.200 0.310 0.000 0.823 193 S HN 0.322 nan 8.310 nan 0.000 0.469 194 V N 1.108 121.068 119.914 0.077 0.000 2.229 194 V HA -0.081 4.026 4.120 -0.021 0.000 0.243 194 V C 2.550 178.628 176.094 -0.025 0.000 1.042 194 V CA 1.809 64.163 62.300 0.090 0.000 1.000 194 V CB -0.586 31.270 31.823 0.054 0.000 0.637 194 V HN 0.476 nan 8.190 nan 0.000 0.446 195 V N -0.859 118.963 119.914 -0.152 0.000 2.871 195 V HA -0.120 3.987 4.120 -0.021 0.000 0.256 195 V C 2.357 178.454 176.094 0.006 0.000 1.082 195 V CA 1.931 64.180 62.300 -0.085 0.000 1.105 195 V CB 0.426 32.092 31.823 -0.263 0.000 0.713 195 V HN 0.573 nan 8.190 nan 0.000 0.473 196 S N -0.853 114.780 115.700 -0.112 0.000 2.315 196 S HA 0.021 4.478 4.470 -0.021 0.000 0.211 196 S C 1.517 176.023 174.600 -0.156 0.000 1.029 196 S CA 1.435 59.608 58.200 -0.046 0.000 0.956 196 S CB -0.213 62.971 63.200 -0.027 0.000 0.918 196 S HN 0.591 nan 8.310 nan 0.000 0.470 197 F N 0.210 119.833 119.950 -0.545 0.000 2.390 197 F HA 0.240 4.750 4.527 -0.029 0.000 0.281 197 F C 1.860 177.400 175.800 -0.434 0.000 1.016 197 F CA 0.489 58.063 58.000 -0.711 0.000 1.286 197 F CB -0.343 37.702 39.000 -1.592 0.000 1.134 197 F HN 0.102 nan 8.300 nan 0.000 0.597 198 Y N 0.223 120.495 120.300 -0.048 0.000 2.224 198 Y HA -0.178 4.358 4.550 -0.023 0.000 0.289 198 Y C 2.178 178.006 175.900 -0.119 0.000 1.146 198 Y CA 1.402 59.535 58.100 0.055 0.000 1.182 198 Y CB -1.100 37.428 38.460 0.112 0.000 0.983 198 Y HN 0.171 nan 8.280 nan 0.000 0.524 199 L N 1.725 122.933 121.223 -0.026 0.000 1.988 199 L HA -0.022 4.306 4.340 -0.021 0.000 0.207 199 L C -0.646 176.004 176.870 -0.366 0.000 1.071 199 L CA 1.888 56.647 54.840 -0.135 0.000 0.744 199 L CB -1.967 40.073 42.059 -0.032 0.000 0.893 199 L HN -0.020 nan 8.230 nan 0.000 0.433 200 P HA -0.197 nan 4.420 nan 0.000 0.221 200 P C 1.875 178.766 177.300 -0.682 0.000 1.150 200 P CA 1.404 63.859 63.100 -1.074 0.000 0.800 200 P CB -0.424 30.049 31.700 -2.045 0.000 0.787 201 F N 1.404 120.944 119.950 -0.683 0.000 2.259 201 F HA 0.144 4.655 4.527 -0.027 0.000 0.298 201 F C 2.093 177.685 175.800 -0.347 0.000 1.088 201 F CA 1.425 59.090 58.000 -0.559 0.000 1.358 201 F CB -1.265 37.267 39.000 -0.780 0.000 1.040 201 F HN -0.145 nan 8.300 nan 0.000 0.505 202 G N 1.040 109.306 108.800 -0.889 0.000 2.453 202 G HA2 -0.226 3.721 3.960 -0.021 0.000 0.215 202 G HA3 -0.226 3.721 3.960 -0.021 0.000 0.215 202 G C 1.703 176.309 174.900 -0.489 0.000 1.201 202 G CA 1.495 46.130 45.100 -0.775 0.000 0.784 202 G HN 0.337 nan 8.290 nan 0.000 0.545 203 V N 1.123 120.812 119.914 -0.374 0.000 2.332 203 V HA -0.215 3.893 4.120 -0.021 0.000 0.248 203 V C 3.177 179.134 176.094 -0.229 0.000 1.055 203 V CA 2.418 64.561 62.300 -0.261 0.000 1.038 203 V CB -1.042 30.650 31.823 -0.219 0.000 0.651 203 V HN 0.416 nan 8.190 nan 0.000 0.450 204 T N -0.182 114.226 114.554 -0.242 0.000 2.746 204 T HA -0.154 4.183 4.350 -0.021 0.000 0.267 204 T C 1.949 176.656 174.700 0.011 0.000 1.039 204 T CA 1.594 63.640 62.100 -0.091 0.000 1.142 204 T CB -0.250 68.576 68.868 -0.070 0.000 0.866 204 T HN 0.294 nan 8.240 nan 0.000 0.444 205 V N 1.564 121.394 119.914 -0.140 0.000 2.343 205 V HA -0.119 3.988 4.120 -0.021 0.000 0.247 205 V C 2.485 178.537 176.094 -0.069 0.000 1.051 205 V CA 1.378 63.620 62.300 -0.097 0.000 1.036 205 V CB -0.727 30.949 31.823 -0.245 0.000 0.654 205 V HN 0.437 nan 8.190 nan 0.000 0.451 206 L N -0.610 120.529 121.223 -0.140 0.000 2.012 206 L HA -0.195 4.132 4.340 -0.021 0.000 0.210 206 L C 2.494 179.304 176.870 -0.100 0.000 1.073 206 L CA 1.346 56.115 54.840 -0.118 0.000 0.748 206 L CB -0.783 41.187 42.059 -0.149 0.000 0.891 206 L HN 0.190 nan 8.230 nan 0.000 0.431 207 V N -1.103 118.733 119.914 -0.131 0.000 2.255 207 V HA -0.332 3.775 4.120 -0.021 0.000 0.247 207 V C 2.202 178.217 176.094 -0.132 0.000 1.051 207 V CA 1.950 64.131 62.300 -0.199 0.000 1.018 207 V CB -0.675 30.990 31.823 -0.264 0.000 0.641 207 V HN 0.305 nan 8.190 nan 0.000 0.445 208 Y N 0.280 120.554 120.300 -0.044 0.000 2.421 208 Y HA -0.087 4.449 4.550 -0.024 0.000 0.292 208 Y C 2.365 178.285 175.900 0.033 0.000 1.136 208 Y CA 1.023 59.127 58.100 0.005 0.000 1.255 208 Y CB -0.635 37.814 38.460 -0.018 0.000 0.991 208 Y HN 0.208 nan 8.280 nan 0.000 0.552 209 A N 0.088 122.983 122.820 0.124 0.000 1.873 209 A HA -0.185 4.122 4.320 -0.021 0.000 0.215 209 A C 2.276 179.928 177.584 0.113 0.000 1.186 209 A CA 1.628 53.721 52.037 0.092 0.000 0.616 209 A CB -0.581 18.431 19.000 0.021 0.000 0.823 209 A HN 0.387 nan 8.150 nan 0.000 0.442 210 R N -0.382 120.152 120.500 0.056 0.000 2.081 210 R HA -0.046 4.281 4.340 -0.021 0.000 0.235 210 R C 1.962 178.335 176.300 0.122 0.000 1.131 210 R CA 1.491 57.631 56.100 0.066 0.000 0.960 210 R CB -0.369 29.935 30.300 0.006 0.000 0.856 210 R HN 0.572 nan 8.270 nan 0.000 0.436 211 I N -0.285 120.363 120.570 0.129 0.000 2.142 211 I HA -0.332 3.825 4.170 -0.021 0.000 0.240 211 I C 2.171 178.369 176.117 0.134 0.000 1.078 211 I CA 1.461 62.839 61.300 0.129 0.000 1.343 211 I CB -0.452 37.594 38.000 0.077 0.000 1.046 211 I HN 0.263 nan 8.210 nan 0.000 0.405 212 Y N 1.335 121.676 120.300 0.068 0.000 2.165 212 Y HA -0.246 4.291 4.550 -0.022 0.000 0.286 212 Y C 2.376 178.298 175.900 0.037 0.000 1.155 212 Y CA 1.710 59.845 58.100 0.058 0.000 1.164 212 Y CB -0.294 38.203 38.460 0.062 0.000 0.978 212 Y HN -0.114 nan 8.280 nan 0.000 0.513 213 V N -1.066 118.916 119.914 0.113 0.000 2.358 213 V HA -0.283 3.825 4.120 -0.021 0.000 0.246 213 V C 2.321 178.381 176.094 -0.057 0.000 1.047 213 V CA 1.670 63.980 62.300 0.016 0.000 1.035 213 V CB -0.857 31.016 31.823 0.083 0.000 0.658 213 V HN 0.337 nan 8.190 nan 0.000 0.452 214 V N -0.328 119.576 119.914 -0.016 0.000 2.358 214 V HA -0.231 3.876 4.120 -0.021 0.000 0.246 214 V C 2.314 178.364 176.094 -0.073 0.000 1.047 214 V CA 1.836 64.117 62.300 -0.031 0.000 1.035 214 V CB -0.475 31.348 31.823 -0.001 0.000 0.658 214 V HN 0.422 nan 8.190 nan 0.000 0.452 215 L N -0.294 120.875 121.223 -0.091 0.000 2.056 215 L HA -0.193 4.134 4.340 -0.021 0.000 0.207 215 L C 2.583 179.359 176.870 -0.158 0.000 1.078 215 L CA 1.827 56.603 54.840 -0.108 0.000 0.749 215 L CB -0.480 41.525 42.059 -0.091 0.000 0.901 215 L HN 0.278 nan 8.230 nan 0.000 0.433 216 K N -0.319 119.917 120.400 -0.274 0.000 2.209 216 K HA -0.195 4.112 4.320 -0.021 0.000 0.204 216 K C 2.015 178.524 176.600 -0.152 0.000 1.048 216 K CA 1.229 57.350 56.287 -0.277 0.000 0.940 216 K CB 0.142 32.359 32.500 -0.472 0.000 0.729 216 K HN 0.382 nan 8.250 nan 0.000 0.451 217 Q N -0.770 118.956 119.800 -0.124 0.000 2.302 217 Q HA 0.048 4.376 4.340 -0.021 0.000 0.202 217 Q C 1.665 177.611 176.000 -0.090 0.000 0.936 217 Q CA 0.433 56.182 55.803 -0.089 0.000 0.886 217 Q CB 0.407 29.104 28.738 -0.068 0.000 0.986 217 Q HN 0.182 nan 8.270 nan 0.000 0.487 218 R N 0.060 120.508 120.500 -0.086 0.000 2.240 218 R HA 0.068 4.396 4.340 -0.021 0.000 0.203 218 R C 1.997 178.250 176.300 -0.079 0.000 1.011 218 R CA 0.186 56.235 56.100 -0.085 0.000 1.007 218 R CB 0.089 30.349 30.300 -0.065 0.000 0.911 218 R HN 0.086 nan 8.270 nan 0.000 0.468 219 R N 0.994 121.458 120.500 -0.061 0.000 2.096 219 R HA -0.064 4.263 4.340 -0.021 0.000 0.235 219 R C 0.541 176.833 176.300 -0.013 0.000 1.127 219 R CA 0.910 57.002 56.100 -0.013 0.000 0.968 219 R CB 0.090 30.382 30.300 -0.012 0.000 0.861 219 R HN -0.153 nan 8.270 nan 0.000 0.440 220 R N 1.513 121.965 120.500 -0.081 0.000 2.234 220 R HA 0.182 4.509 4.340 -0.021 0.000 0.324 220 R C -1.033 175.046 176.300 -0.369 0.000 1.054 220 R CA 0.301 56.312 56.100 -0.147 0.000 0.912 220 R CB 0.640 30.887 30.300 -0.089 0.000 1.030 220 R HN -0.033 nan 8.270 nan 0.000 0.455 320 V N 2.014 121.946 119.914 0.031 0.000 2.888 320 V HA 0.588 4.696 4.120 -0.021 0.000 0.309 320 V C -2.470 173.628 176.094 0.008 0.000 1.114 320 V CA -1.164 61.139 62.300 0.006 0.000 0.940 320 V CB 2.092 33.912 31.823 -0.006 0.000 1.021 320 V HN 0.478 nan 8.190 nan 0.000 0.426 321 P HA 0.199 nan 4.420 nan 0.000 0.269 321 P C 0.600 177.905 177.300 0.009 0.000 1.209 321 P CA -0.298 62.801 63.100 -0.002 0.000 0.776 321 P CB 0.736 32.428 31.700 -0.013 0.000 0.876 322 L N 2.963 124.194 121.223 0.014 0.000 2.131 322 L HA -0.105 4.223 4.340 -0.021 0.000 0.210 322 L C 2.456 179.342 176.870 0.026 0.000 1.092 322 L CA 1.665 56.519 54.840 0.024 0.000 0.759 322 L CB -0.785 41.290 42.059 0.026 0.000 0.903 322 L HN 0.341 nan 8.230 nan 0.000 0.435 323 R N -0.623 119.887 120.500 0.016 0.000 2.103 323 R HA -0.191 4.136 4.340 -0.021 0.000 0.242 323 R C 1.912 178.224 176.300 0.020 0.000 1.142 323 R CA 1.799 57.908 56.100 0.015 0.000 0.960 323 R CB -0.153 30.146 30.300 -0.002 0.000 0.858 323 R HN 0.384 nan 8.270 nan 0.000 0.439 324 E N 0.539 120.747 120.200 0.013 0.000 2.158 324 E HA -0.111 4.226 4.350 -0.021 0.000 0.191 324 E C 1.838 178.456 176.600 0.030 0.000 0.982 324 E CA 0.972 57.381 56.400 0.014 0.000 0.823 324 E CB 0.029 29.727 29.700 -0.002 0.000 0.766 324 E HN 0.451 nan 8.360 nan 0.000 0.468 325 K N 0.781 121.201 120.400 0.034 0.000 2.057 325 K HA -0.060 4.247 4.320 -0.021 0.000 0.206 325 K C 2.017 178.656 176.600 0.064 0.000 1.050 325 K CA 0.813 57.129 56.287 0.049 0.000 0.935 325 K CB 0.094 32.621 32.500 0.045 0.000 0.715 325 K HN -0.106 nan 8.250 nan 0.000 0.439 326 K N 0.471 120.910 120.400 0.066 0.000 2.217 326 K HA 0.008 4.315 4.320 -0.021 0.000 0.202 326 K C 2.058 178.712 176.600 0.089 0.000 1.051 326 K CA 0.899 57.237 56.287 0.085 0.000 0.952 326 K CB -0.055 32.502 32.500 0.095 0.000 0.736 326 K HN 0.124 nan 8.250 nan 0.000 0.453 327 A N 1.021 123.887 122.820 0.076 0.000 1.855 327 A HA -0.112 4.195 4.320 -0.021 0.000 0.215 327 A C 2.255 179.897 177.584 0.096 0.000 1.191 327 A CA 2.043 54.129 52.037 0.082 0.000 0.613 327 A CB -0.922 18.112 19.000 0.056 0.000 0.829 327 A HN 0.263 nan 8.150 nan 0.000 0.442 328 T N -0.396 114.217 114.554 0.098 0.000 2.915 328 T HA -0.117 4.220 4.350 -0.021 0.000 0.269 328 T C 1.981 176.779 174.700 0.164 0.000 1.071 328 T CA 1.385 63.577 62.100 0.154 0.000 1.132 328 T CB -0.145 68.802 68.868 0.132 0.000 0.878 328 T HN 0.634 nan 8.240 nan 0.000 0.479 329 Q N 0.528 120.376 119.800 0.081 0.000 2.123 329 Q HA -0.042 4.285 4.340 -0.021 0.000 0.199 329 Q C 2.298 178.226 176.000 -0.120 0.000 0.966 329 Q CA 0.984 56.786 55.803 -0.001 0.000 0.845 329 Q CB -0.182 28.553 28.738 -0.005 0.000 0.907 329 Q HN 0.582 nan 8.270 nan 0.000 0.439 330 M N 0.372 119.924 119.600 -0.079 0.000 2.066 330 M HA -0.158 4.309 4.480 -0.021 0.000 0.259 330 M C 2.018 178.283 176.300 -0.059 0.000 1.074 330 M CA 2.188 57.413 55.300 -0.125 0.000 1.114 330 M CB -0.255 32.388 32.600 0.071 0.000 1.306 330 M HN 0.183 nan 8.290 nan 0.000 0.411 331 V N -0.685 119.264 119.914 0.059 0.000 2.828 331 V HA -0.090 4.017 4.120 -0.021 0.000 0.260 331 V C 2.358 178.422 176.094 -0.051 0.000 1.101 331 V CA 1.488 63.844 62.300 0.092 0.000 1.123 331 V CB -2.371 29.568 31.823 0.194 0.000 0.704 331 V HN 0.580 nan 8.190 nan 0.000 0.493 332 A N 0.969 123.688 122.820 -0.170 0.000 1.898 332 A HA -0.025 4.282 4.320 -0.021 0.000 0.216 332 A C 2.156 179.532 177.584 -0.347 0.000 1.181 332 A CA 1.914 53.639 52.037 -0.520 0.000 0.620 332 A CB -0.507 18.277 19.000 -0.361 0.000 0.819 332 A HN 0.437 nan 8.150 nan 0.000 0.442 333 I N 0.186 120.600 120.570 -0.260 0.000 2.179 333 I HA -0.186 3.972 4.170 -0.021 0.000 0.242 333 I C 2.568 178.602 176.117 -0.139 0.000 1.088 333 I CA 1.118 62.283 61.300 -0.224 0.000 1.357 333 I CB -1.533 36.270 38.000 -0.330 0.000 1.051 333 I HN 0.135 nan 8.210 nan 0.000 0.409 334 V N 1.078 120.933 119.914 -0.097 0.000 2.278 334 V HA -0.299 3.808 4.120 -0.021 0.000 0.251 334 V C 2.603 178.695 176.094 -0.005 0.000 1.062 334 V CA 1.849 64.134 62.300 -0.025 0.000 1.038 334 V CB -0.929 30.924 31.823 0.049 0.000 0.646 334 V HN 0.357 nan 8.190 nan 0.000 0.447 335 L N 1.638 122.817 121.223 -0.073 0.000 1.990 335 L HA -0.103 4.224 4.340 -0.021 0.000 0.213 335 L C 2.399 179.269 176.870 0.000 0.000 1.072 335 L CA 2.618 57.420 54.840 -0.064 0.000 0.755 335 L CB -1.617 40.323 42.059 -0.199 0.000 0.889 335 L HN 0.284 nan 8.230 nan 0.000 0.432 336 G N -1.034 107.726 108.800 -0.066 0.000 2.469 336 G HA2 -0.321 3.627 3.960 -0.021 0.000 0.219 336 G HA3 -0.321 3.627 3.960 -0.021 0.000 0.219 336 G C 1.617 176.516 174.900 -0.001 0.000 1.150 336 G CA 1.229 46.304 45.100 -0.041 0.000 0.763 336 G HN 0.733 nan 8.290 nan 0.000 0.561 337 A N 0.077 122.900 122.820 0.005 0.000 1.940 337 A HA 0.051 4.358 4.320 -0.021 0.000 0.219 337 A C 2.188 179.805 177.584 0.056 0.000 1.176 337 A CA 1.607 53.648 52.037 0.007 0.000 0.631 337 A CB -0.511 18.486 19.000 -0.005 0.000 0.814 337 A HN 0.387 nan 8.150 nan 0.000 0.446 338 F N 0.376 120.325 119.950 -0.001 0.000 2.084 338 F HA -0.100 4.414 4.527 -0.022 0.000 0.296 338 F C 2.021 177.901 175.800 0.134 0.000 1.111 338 F CA 1.825 59.886 58.000 0.103 0.000 1.224 338 F CB -0.175 38.868 39.000 0.072 0.000 0.991 338 F HN 0.161 nan 8.300 nan 0.000 0.471 339 I N -0.876 119.810 120.570 0.192 0.000 2.252 339 I HA -0.269 3.888 4.170 -0.021 0.000 0.245 339 I C 2.220 178.352 176.117 0.025 0.000 1.102 339 I CA 0.890 62.218 61.300 0.048 0.000 1.385 339 I CB -0.618 37.299 38.000 -0.138 0.000 1.064 339 I HN -0.040 nan 8.210 nan 0.000 0.414 340 V N 0.219 120.127 119.914 -0.010 0.000 2.332 340 V HA -0.329 3.778 4.120 -0.021 0.000 0.248 340 V C 2.484 178.530 176.094 -0.079 0.000 1.055 340 V CA 1.978 64.257 62.300 -0.035 0.000 1.038 340 V CB -0.577 31.219 31.823 -0.044 0.000 0.651 340 V HN 0.577 nan 8.190 nan 0.000 0.450 341 C N -2.055 117.150 119.300 -0.159 0.000 2.475 341 C HA -0.071 4.377 4.460 -0.021 0.000 0.279 341 C C 2.376 177.116 174.990 -0.416 0.000 1.322 341 C CA -0.048 58.769 59.018 -0.335 0.000 1.734 341 C CB -1.089 26.361 27.740 -0.483 0.000 2.005 341 C HN 0.749 nan 8.230 nan 0.000 0.495 342 W N -0.078 121.055 121.300 -0.278 0.000 2.812 342 W HA 0.183 4.841 4.660 -0.004 0.000 0.263 342 W C 2.202 178.683 176.519 -0.063 0.000 1.284 342 W CA -0.255 56.956 57.345 -0.222 0.000 1.430 342 W CB -0.289 28.957 29.460 -0.356 0.000 1.088 342 W HN 0.114 nan 8.180 nan 0.000 0.623 343 L N 1.882 123.218 121.223 0.188 0.000 2.012 343 L HA -0.100 4.227 4.340 -0.021 0.000 0.210 343 L C -0.713 176.223 176.870 0.109 0.000 1.073 343 L CA 2.248 57.164 54.840 0.127 0.000 0.748 343 L CB -1.827 40.310 42.059 0.130 0.000 0.891 343 L HN -0.241 nan 8.230 nan 0.000 0.431 344 P HA -0.255 nan 4.420 nan 0.000 0.216 344 P C 1.730 179.089 177.300 0.099 0.000 1.157 344 P CA 1.723 64.867 63.100 0.072 0.000 0.880 344 P CB -0.302 31.420 31.700 0.036 0.000 0.791 345 F N -0.761 119.169 119.950 -0.033 0.000 2.075 345 F HA -0.174 4.337 4.527 -0.026 0.000 0.297 345 F C 2.015 177.776 175.800 -0.065 0.000 1.113 345 F CA 1.503 59.470 58.000 -0.054 0.000 1.218 345 F CB -1.031 37.897 39.000 -0.120 0.000 0.984 345 F HN -0.231 nan 8.300 nan 0.000 0.472 346 F N 0.365 120.190 119.950 -0.209 0.000 2.269 346 F HA -0.157 4.353 4.527 -0.027 0.000 0.301 346 F C 2.073 177.762 175.800 -0.185 0.000 1.082 346 F CA 1.151 58.920 58.000 -0.386 0.000 1.360 346 F CB -0.481 38.085 39.000 -0.723 0.000 1.041 346 F HN 0.005 nan 8.300 nan 0.000 0.512 347 L N -0.950 120.313 121.223 0.065 0.000 2.127 347 L HA -0.113 4.214 4.340 -0.021 0.000 0.203 347 L C 2.558 179.440 176.870 0.021 0.000 1.080 347 L CA 1.573 56.462 54.840 0.082 0.000 0.768 347 L CB -1.202 40.913 42.059 0.092 0.000 0.924 347 L HN 0.197 nan 8.230 nan 0.000 0.444 348 T N -3.511 111.032 114.554 -0.018 0.000 2.668 348 T HA -0.254 4.083 4.350 -0.021 0.000 0.258 348 T C 1.809 176.474 174.700 -0.059 0.000 1.051 348 T CA 1.337 63.434 62.100 -0.006 0.000 1.155 348 T CB -0.739 68.168 68.868 0.065 0.000 0.864 348 T HN 0.323 nan 8.240 nan 0.000 0.413 349 H N 1.107 119.994 119.070 -0.305 0.000 2.321 349 H HA -0.103 4.443 4.556 -0.017 0.000 0.295 349 H C 2.087 177.290 175.328 -0.208 0.000 1.102 349 H CA 2.184 58.016 56.048 -0.359 0.000 1.266 349 H CB -0.441 28.803 29.762 -0.863 0.000 1.363 349 H HN 0.202 nan 8.280 nan 0.000 0.492 350 V N 0.138 120.079 119.914 0.046 0.000 2.427 350 V HA -0.207 3.900 4.120 -0.021 0.000 0.248 350 V C 2.520 178.708 176.094 0.156 0.000 1.051 350 V CA 1.555 63.956 62.300 0.167 0.000 1.048 350 V CB -0.647 31.272 31.823 0.160 0.000 0.666 350 V HN 0.338 nan 8.190 nan 0.000 0.456 351 L N 0.991 122.251 121.223 0.062 0.000 2.005 351 L HA -0.159 4.168 4.340 -0.021 0.000 0.207 351 L C 2.354 179.226 176.870 0.004 0.000 1.072 351 L CA 2.340 57.205 54.840 0.042 0.000 0.744 351 L CB -0.799 41.270 42.059 0.016 0.000 0.895 351 L HN 0.446 nan 8.230 nan 0.000 0.433 352 N N -1.315 117.347 118.700 -0.064 0.000 2.258 352 N HA -0.220 4.507 4.740 -0.021 0.000 0.187 352 N C 1.448 176.868 175.510 -0.150 0.000 1.012 352 N CA 1.938 54.907 53.050 -0.136 0.000 0.870 352 N CB -0.086 38.250 38.487 -0.252 0.000 0.977 352 N HN 0.614 nan 8.380 nan 0.000 0.434 353 T N -5.593 108.886 114.554 -0.124 0.000 3.040 353 T HA 0.176 4.513 4.350 -0.021 0.000 0.250 353 T C 1.079 175.653 174.700 -0.210 0.000 1.058 353 T CA 0.292 62.292 62.100 -0.167 0.000 0.988 353 T CB -0.177 68.592 68.868 -0.164 0.000 0.993 353 T HN 0.250 nan 8.240 nan 0.000 0.519 354 H N -0.837 118.220 119.070 -0.022 0.000 3.017 354 H HA 0.333 4.874 4.556 -0.024 0.000 0.255 354 H C 2.329 177.646 175.328 -0.019 0.000 0.990 354 H CA 0.558 56.604 56.048 -0.004 0.000 1.205 354 H CB 0.575 30.346 29.762 0.015 0.000 1.460 354 H HN 0.569 nan 8.280 nan 0.000 0.478 355 C N -0.672 118.668 119.300 0.066 0.000 2.587 355 C HA 0.104 4.551 4.460 -0.021 0.000 0.287 355 C C 1.625 176.591 174.990 -0.040 0.000 1.374 355 C CA 0.494 59.518 59.018 0.009 0.000 1.770 355 C CB 0.129 27.860 27.740 -0.016 0.000 2.137 355 C HN 0.678 nan 8.230 nan 0.000 0.550 356 Q N 0.878 120.634 119.800 -0.074 0.000 2.468 356 Q HA -0.260 4.067 4.340 -0.021 0.000 0.256 356 Q C 0.783 176.679 176.000 -0.174 0.000 0.984 356 Q CA 1.503 57.246 55.803 -0.100 0.000 1.110 356 Q CB -1.289 27.416 28.738 -0.056 0.000 1.527 356 Q HN 0.984 nan 8.270 nan 0.000 0.535 357 T N -4.501 109.910 114.554 -0.239 0.000 3.115 357 T HA 0.121 4.459 4.350 -0.021 0.000 0.256 357 T C 0.981 175.385 174.700 -0.492 0.000 0.970 357 T CA 0.439 62.346 62.100 -0.323 0.000 1.010 357 T CB -0.517 68.262 68.868 -0.149 0.000 1.151 357 T HN 0.530 nan 8.240 nan 0.000 0.479 358 C N 4.760 123.896 119.300 -0.273 0.000 2.551 358 C HA 0.353 4.801 4.460 -0.021 0.000 0.369 358 C C 0.600 175.479 174.990 -0.186 0.000 1.154 358 C CA -1.293 57.612 59.018 -0.187 0.000 1.456 358 C CB -2.306 25.387 27.740 -0.078 0.000 2.037 358 C HN 0.412 nan 8.230 nan 0.000 0.547 359 H N 2.311 121.377 119.070 -0.007 0.000 3.392 359 H HA 0.143 4.687 4.556 -0.021 0.000 0.253 359 H C 0.457 175.780 175.328 -0.008 0.000 1.682 359 H CA 0.312 56.353 56.048 -0.012 0.000 1.535 359 H CB -0.052 29.705 29.762 -0.008 0.000 1.823 359 H HN 0.608 nan 8.280 nan 0.000 0.576 360 V N 3.244 123.192 119.914 0.056 0.000 2.529 360 V HA -0.069 4.038 4.120 -0.021 0.000 0.292 360 V C 0.917 177.042 176.094 0.051 0.000 1.028 360 V CA -0.235 62.090 62.300 0.042 0.000 1.074 360 V CB 0.706 32.535 31.823 0.011 0.000 0.958 360 V HN 0.715 nan 8.190 nan 0.000 0.481 361 S N 6.160 121.899 115.700 0.065 0.000 2.549 361 S HA 0.220 4.677 4.470 -0.021 0.000 0.283 361 S C -1.765 172.888 174.600 0.088 0.000 1.320 361 S CA -0.954 57.286 58.200 0.067 0.000 1.058 361 S CB 0.966 64.205 63.200 0.066 0.000 0.882 361 S HN 0.613 nan 8.310 nan 0.000 0.498 362 P HA 0.056 nan 4.420 nan 0.000 0.229 362 P C 0.799 178.199 177.300 0.167 0.000 1.160 362 P CA 0.612 63.788 63.100 0.127 0.000 0.777 362 P CB 0.070 31.818 31.700 0.079 0.000 0.814 363 E N -0.375 119.900 120.200 0.125 0.000 2.077 363 E HA -0.150 4.188 4.350 -0.021 0.000 0.193 363 E C 1.849 178.536 176.600 0.145 0.000 0.989 363 E CA 0.803 57.281 56.400 0.129 0.000 0.800 363 E CB -1.029 28.727 29.700 0.093 0.000 0.746 363 E HN 0.142 nan 8.360 nan 0.000 0.452 364 L N -0.284 121.022 121.223 0.138 0.000 1.994 364 L HA -0.186 4.142 4.340 -0.021 0.000 0.208 364 L C 2.242 179.214 176.870 0.170 0.000 1.071 364 L CA 1.548 56.471 54.840 0.138 0.000 0.745 364 L CB -0.445 41.686 42.059 0.120 0.000 0.892 364 L HN 0.189 nan 8.230 nan 0.000 0.431 365 Y N -0.149 120.195 120.300 0.074 0.000 2.193 365 Y HA -0.306 4.230 4.550 -0.023 0.000 0.285 365 Y C 2.496 178.463 175.900 0.112 0.000 1.166 365 Y CA 1.942 60.097 58.100 0.091 0.000 1.181 365 Y CB -0.493 38.004 38.460 0.062 0.000 0.976 365 Y HN 0.247 nan 8.280 nan 0.000 0.520 366 S N -0.207 115.501 115.700 0.013 0.000 2.481 366 S HA -0.027 4.430 4.470 -0.021 0.000 0.231 366 S C 2.040 176.539 174.600 -0.169 0.000 0.996 366 S CA 0.693 58.798 58.200 -0.157 0.000 0.942 366 S CB -0.393 62.742 63.200 -0.107 0.000 0.768 366 S HN 0.630 nan 8.310 nan 0.000 0.520 367 A N 1.654 124.493 122.820 0.031 0.000 1.924 367 A HA 0.028 4.336 4.320 -0.021 0.000 0.211 367 A C 2.341 180.013 177.584 0.146 0.000 1.198 367 A CA 1.299 53.444 52.037 0.179 0.000 0.657 367 A CB -1.199 17.929 19.000 0.214 0.000 0.852 367 A HN 0.546 nan 8.150 nan 0.000 0.454 368 T N -0.939 113.649 114.554 0.056 0.000 2.803 368 T HA -0.204 4.134 4.350 -0.021 0.000 0.269 368 T C 1.876 176.512 174.700 -0.108 0.000 1.052 368 T CA 2.308 64.417 62.100 0.015 0.000 1.136 368 T CB -1.291 67.636 68.868 0.099 0.000 0.864 368 T HN 0.580 nan 8.240 nan 0.000 0.467 369 T N -2.348 112.109 114.554 -0.163 0.000 2.812 369 T HA -0.091 4.246 4.350 -0.021 0.000 0.264 369 T C 1.582 176.191 174.700 -0.151 0.000 1.042 369 T CA 0.800 62.724 62.100 -0.294 0.000 1.140 369 T CB -0.962 67.757 68.868 -0.248 0.000 0.870 369 T HN 0.563 nan 8.240 nan 0.000 0.445 370 W N 1.789 123.009 121.300 -0.134 0.000 2.315 370 W HA -0.046 4.602 4.660 -0.020 0.000 0.323 370 W C 2.001 178.365 176.519 -0.258 0.000 1.233 370 W CA 0.890 58.165 57.345 -0.118 0.000 1.267 370 W CB -1.009 28.396 29.460 -0.091 0.000 1.160 370 W HN 0.208 nan 8.180 nan 0.000 0.474 371 L N 1.386 122.454 121.223 -0.258 0.000 2.129 371 L HA -0.086 4.242 4.340 -0.021 0.000 0.212 371 L C 2.492 178.872 176.870 -0.817 0.000 1.087 371 L CA 2.549 57.071 54.840 -0.530 0.000 0.757 371 L CB -1.409 40.482 42.059 -0.279 0.000 0.896 371 L HN 0.161 nan 8.230 nan 0.000 0.434 372 G N -2.083 106.061 108.800 -1.093 0.000 2.432 372 G HA2 -0.298 3.649 3.960 -0.021 0.000 0.219 372 G HA3 -0.298 3.649 3.960 -0.021 0.000 0.219 372 G C 1.191 175.170 174.900 -1.536 0.000 1.135 372 G CA 0.992 44.810 45.100 -2.136 0.000 0.767 372 G HN 0.478 nan 8.290 nan 0.000 0.550 373 Y N -0.041 119.820 120.300 -0.732 0.000 2.448 373 Y HA 0.147 4.684 4.550 -0.021 0.000 0.289 373 Y C 2.801 178.414 175.900 -0.478 0.000 1.114 373 Y CA -0.214 57.637 58.100 -0.414 0.000 1.235 373 Y CB -0.288 38.026 38.460 -0.242 0.000 1.045 373 Y HN 0.016 nan 8.280 nan 0.000 0.554 374 V N 0.798 120.347 119.914 -0.609 0.000 2.380 374 V HA -0.363 3.744 4.120 -0.021 0.000 0.251 374 V C 2.255 178.115 176.094 -0.391 0.000 1.063 374 V CA 2.216 64.130 62.300 -0.643 0.000 1.055 374 V CB -0.759 30.503 31.823 -0.935 0.000 0.657 374 V HN 0.460 nan 8.190 nan 0.000 0.455 375 N N 0.537 118.996 118.700 -0.402 0.000 2.091 375 N HA -0.206 4.521 4.740 -0.021 0.000 0.193 375 N C 1.897 177.362 175.510 -0.075 0.000 1.021 375 N CA 2.107 55.016 53.050 -0.235 0.000 0.862 375 N CB -0.335 37.991 38.487 -0.267 0.000 1.018 375 N HN 0.457 nan 8.380 nan 0.000 0.429 376 S N -0.289 115.399 115.700 -0.020 0.000 2.368 376 S HA -0.187 4.271 4.470 -0.021 0.000 0.226 376 S C 1.865 176.487 174.600 0.036 0.000 1.044 376 S CA 1.493 59.738 58.200 0.076 0.000 1.062 376 S CB -0.740 62.537 63.200 0.129 0.000 0.931 376 S HN 0.650 nan 8.310 nan 0.000 0.440 377 A N 0.188 122.999 122.820 -0.014 0.000 2.238 377 A HA 0.310 4.617 4.320 -0.021 0.000 0.208 377 A C 1.898 179.457 177.584 -0.041 0.000 1.177 377 A CA 0.281 52.314 52.037 -0.006 0.000 0.804 377 A CB -0.419 18.572 19.000 -0.015 0.000 0.823 377 A HN 0.437 nan 8.150 nan 0.000 0.482 378 L N -0.699 120.476 121.223 -0.080 0.000 2.095 378 L HA -0.126 4.202 4.340 -0.021 0.000 0.204 378 L C 2.132 178.904 176.870 -0.163 0.000 1.080 378 L CA 0.860 55.636 54.840 -0.107 0.000 0.759 378 L CB -0.429 41.562 42.059 -0.114 0.000 0.914 378 L HN 0.297 nan 8.230 nan 0.000 0.439 379 N N -0.064 118.518 118.700 -0.197 0.000 2.104 379 N HA -0.151 4.576 4.740 -0.021 0.000 0.190 379 N C -0.956 174.042 175.510 -0.854 0.000 1.024 379 N CA 1.404 54.178 53.050 -0.459 0.000 0.853 379 N CB -1.579 36.729 38.487 -0.298 0.000 1.008 379 N HN 0.221 nan 8.380 nan 0.000 0.424 380 P HA -0.052 nan 4.420 nan 0.000 0.218 380 P C 1.328 178.496 177.300 -0.220 0.000 1.149 380 P CA 0.708 63.672 63.100 -0.226 0.000 0.817 380 P CB 0.093 31.866 31.700 0.121 0.000 0.785 381 V N -0.541 119.278 119.914 -0.159 0.000 2.913 381 V HA -0.155 3.953 4.120 -0.021 0.000 0.260 381 V C 2.084 178.105 176.094 -0.122 0.000 1.098 381 V CA 1.252 63.492 62.300 -0.100 0.000 1.121 381 V CB -0.986 30.805 31.823 -0.053 0.000 0.714 381 V HN 0.056 nan 8.190 nan 0.000 0.487 382 I N -1.006 119.440 120.570 -0.208 0.000 2.480 382 I HA -0.067 4.090 4.170 -0.021 0.000 0.251 382 I C 2.307 178.445 176.117 0.034 0.000 1.124 382 I CA 1.228 62.496 61.300 -0.053 0.000 1.444 382 I CB -1.342 36.590 38.000 -0.114 0.000 1.098 382 I HN 0.339 nan 8.210 nan 0.000 0.428 383 Y N 1.745 121.963 120.300 -0.136 0.000 2.242 383 Y HA -0.192 4.345 4.550 -0.023 0.000 0.291 383 Y C 2.759 178.503 175.900 -0.261 0.000 1.137 383 Y CA 1.268 59.188 58.100 -0.300 0.000 1.181 383 Y CB -0.633 37.313 38.460 -0.857 0.000 0.989 383 Y HN 0.238 nan 8.280 nan 0.000 0.527 384 T N -3.921 110.503 114.554 -0.217 0.000 3.055 384 T HA -0.063 4.275 4.350 -0.021 0.000 0.265 384 T C 1.509 176.135 174.700 -0.124 0.000 1.111 384 T CA 1.312 63.260 62.100 -0.254 0.000 1.118 384 T CB -0.392 68.293 68.868 -0.305 0.000 0.909 384 T HN 0.184 nan 8.240 nan 0.000 0.501 385 T N 1.004 115.495 114.554 -0.106 0.000 2.866 385 T HA 0.252 4.590 4.350 -0.021 0.000 0.250 385 T C 1.073 175.587 174.700 -0.309 0.000 1.033 385 T CA 0.664 62.612 62.100 -0.253 0.000 1.145 385 T CB -0.275 68.368 68.868 -0.375 0.000 0.866 385 T HN 0.421 nan 8.240 nan 0.000 0.434 386 F N 1.022 120.986 119.950 0.024 0.000 2.656 386 F HA 0.331 4.846 4.527 -0.020 0.000 0.291 386 F C 1.173 177.019 175.800 0.076 0.000 1.122 386 F CA -0.192 57.837 58.000 0.049 0.000 1.427 386 F CB 0.176 39.209 39.000 0.056 0.000 1.125 386 F HN 0.046 nan 8.300 nan 0.000 0.583 387 N N 1.038 119.898 118.700 0.267 0.000 2.501 387 N HA 0.207 4.934 4.740 -0.021 0.000 0.245 387 N C 0.701 176.301 175.510 0.149 0.000 0.974 387 N CA -0.170 53.019 53.050 0.231 0.000 0.941 387 N CB 0.780 39.489 38.487 0.371 0.000 1.122 387 N HN -0.056 nan 8.380 nan 0.000 0.507 388 I N 2.856 123.477 120.570 0.085 0.000 2.248 388 I HA -0.257 3.900 4.170 -0.021 0.000 0.248 388 I C 2.294 178.434 176.117 0.038 0.000 1.107 388 I CA 1.393 62.720 61.300 0.045 0.000 1.373 388 I CB -0.177 37.840 38.000 0.029 0.000 1.055 388 I HN 0.676 nan 8.210 nan 0.000 0.418 389 E N -0.265 119.946 120.200 0.018 0.000 2.216 389 E HA -0.136 4.202 4.350 -0.021 0.000 0.192 389 E C 2.107 178.693 176.600 -0.024 0.000 0.988 389 E CA 0.475 56.857 56.400 -0.031 0.000 0.834 389 E CB 0.025 29.663 29.700 -0.103 0.000 0.772 389 E HN 0.317 nan 8.360 nan 0.000 0.479 390 F N 1.261 121.198 119.950 -0.023 0.000 2.026 390 F HA -0.170 4.343 4.527 -0.022 0.000 0.296 390 F C 2.580 178.332 175.800 -0.081 0.000 1.133 390 F CA 1.630 59.601 58.000 -0.049 0.000 1.188 390 F CB -0.517 38.380 39.000 -0.172 0.000 0.968 390 F HN -0.057 nan 8.300 nan 0.000 0.476 391 R N 0.664 121.184 120.500 0.034 0.000 2.140 391 R HA -0.262 4.066 4.340 -0.021 0.000 0.250 391 R C 2.187 178.566 176.300 0.131 0.000 1.150 391 R CA 2.148 58.248 56.100 0.000 0.000 0.966 391 R CB -0.284 30.011 30.300 -0.008 0.000 0.869 391 R HN 0.277 nan 8.270 nan 0.000 0.445 392 K N -0.550 119.914 120.400 0.107 0.000 2.009 392 K HA -0.148 4.160 4.320 -0.021 0.000 0.210 392 K C 2.061 178.748 176.600 0.145 0.000 1.049 392 K CA 1.653 57.999 56.287 0.099 0.000 0.929 392 K CB -0.214 32.318 32.500 0.052 0.000 0.714 392 K HN 0.252 nan 8.250 nan 0.000 0.440 393 A N 0.419 123.355 122.820 0.192 0.000 2.067 393 A HA -0.114 4.194 4.320 -0.021 0.000 0.219 393 A C 1.811 179.573 177.584 0.297 0.000 1.158 393 A CA 1.115 53.281 52.037 0.214 0.000 0.661 393 A CB -0.485 18.643 19.000 0.213 0.000 0.801 393 A HN 0.162 nan 8.150 nan 0.000 0.452 394 F N -0.260 119.745 119.950 0.093 0.000 2.163 394 F HA 0.046 4.559 4.527 -0.022 0.000 0.297 394 F C 1.978 177.812 175.800 0.057 0.000 1.094 394 F CA 0.846 58.894 58.000 0.080 0.000 1.290 394 F CB -0.444 38.619 39.000 0.106 0.000 1.017 394 F HN 0.088 nan 8.300 nan 0.000 0.483 395 L N -0.652 120.713 121.223 0.237 0.000 2.313 395 L HA -0.127 4.200 4.340 -0.021 0.000 0.214 395 L C 2.205 179.128 176.870 0.088 0.000 1.119 395 L CA 0.869 55.794 54.840 0.140 0.000 0.809 395 L CB -0.465 41.664 42.059 0.118 0.000 0.933 395 L HN 0.044 nan 8.230 nan 0.000 0.449 396 K N 0.379 120.828 120.400 0.083 0.000 2.062 396 K HA -0.082 4.225 4.320 -0.021 0.000 0.205 396 K C 2.079 178.693 176.600 0.022 0.000 1.051 396 K CA 1.198 57.514 56.287 0.048 0.000 0.941 396 K CB -0.070 32.457 32.500 0.045 0.000 0.719 396 K HN 0.228 nan 8.250 nan 0.000 0.440 397 I N 1.392 121.963 120.570 0.003 0.000 2.252 397 I HA -0.199 3.959 4.170 -0.021 0.000 0.245 397 I C 0.821 176.918 176.117 -0.032 0.000 1.102 397 I CA 0.665 61.940 61.300 -0.043 0.000 1.385 397 I CB -0.101 37.824 38.000 -0.125 0.000 1.064 397 I HN 0.037 nan 8.210 nan 0.000 0.414 398 L N 1.815 123.032 121.223 -0.010 0.000 2.418 398 L HA 0.021 4.348 4.340 -0.021 0.000 0.274 398 L C 1.165 178.056 176.870 0.035 0.000 1.135 398 L CA 0.262 55.117 54.840 0.024 0.000 0.870 398 L CB 0.491 42.592 42.059 0.069 0.000 1.154 398 L HN 0.462 nan 8.230 nan 0.000 0.462 399 S N 0.873 116.592 115.700 0.032 0.000 3.476 399 S HA -0.226 4.231 4.470 -0.021 0.000 0.309 399 S C -0.127 174.487 174.600 0.023 0.000 1.222 399 S CA 0.742 58.961 58.200 0.030 0.000 0.922 399 S CB -1.868 61.355 63.200 0.038 0.000 1.023 399 S HN 0.775 nan 8.310 nan 0.000 0.591 1003 I N -0.086 120.309 120.570 -0.291 0.000 2.236 1003 I HA -0.124 4.034 4.170 -0.021 0.000 0.249 1003 I C 1.166 177.075 176.117 -0.347 0.000 1.102 1003 I CA 1.680 62.782 61.300 -0.330 0.000 1.365 1003 I CB -0.443 37.251 38.000 -0.511 0.000 1.051 1003 I HN 0.551 nan 8.210 nan 0.000 0.420 1004 F N 0.604 120.494 119.950 -0.100 0.000 2.163 1004 F HA -0.089 4.426 4.527 -0.021 0.000 0.297 1004 F C 2.503 178.371 175.800 0.113 0.000 1.094 1004 F CA 1.174 59.203 58.000 0.048 0.000 1.290 1004 F CB -0.942 38.060 39.000 0.004 0.000 1.017 1004 F HN 0.041 nan 8.300 nan 0.000 0.483 1005 E N 0.076 120.349 120.200 0.121 0.000 2.150 1005 E HA -0.222 4.115 4.350 -0.021 0.000 0.193 1005 E C 2.246 178.830 176.600 -0.027 0.000 0.985 1005 E CA 0.944 57.346 56.400 0.002 0.000 0.814 1005 E CB -0.515 29.109 29.700 -0.128 0.000 0.752 1005 E HN 0.460 nan 8.360 nan 0.000 0.466 1006 M N 0.204 119.738 119.600 -0.110 0.000 2.099 1006 M HA -0.134 4.334 4.480 -0.021 0.000 0.262 1006 M C 2.023 178.354 176.300 0.050 0.000 1.067 1006 M CA 1.371 56.592 55.300 -0.131 0.000 1.124 1006 M CB 0.056 32.544 32.600 -0.187 0.000 1.353 1006 M HN 0.047 nan 8.290 nan 0.000 0.410 1007 L N -0.991 120.265 121.223 0.055 0.000 2.418 1007 L HA -0.042 4.285 4.340 -0.021 0.000 0.218 1007 L C 2.392 179.276 176.870 0.024 0.000 1.125 1007 L CA 0.292 55.171 54.840 0.064 0.000 0.835 1007 L CB -0.411 41.632 42.059 -0.027 0.000 0.953 1007 L HN 0.256 nan 8.230 nan 0.000 0.454 1008 R N 0.302 120.818 120.500 0.028 0.000 2.081 1008 R HA -0.127 4.200 4.340 -0.021 0.000 0.235 1008 R C 2.245 178.536 176.300 -0.015 0.000 1.131 1008 R CA 1.458 57.511 56.100 -0.079 0.000 0.960 1008 R CB -0.288 29.993 30.300 -0.032 0.000 0.856 1008 R HN 0.299 nan 8.270 nan 0.000 0.436 1009 I N 0.572 121.179 120.570 0.061 0.000 2.202 1009 I HA -0.255 3.903 4.170 -0.021 0.000 0.242 1009 I C 1.411 177.577 176.117 0.081 0.000 1.091 1009 I CA 1.282 62.634 61.300 0.087 0.000 1.368 1009 I CB -0.182 37.935 38.000 0.196 0.000 1.058 1009 I HN 0.079 nan 8.210 nan 0.000 0.410 1010 D N 0.073 120.553 120.400 0.133 0.000 2.249 1010 D HA -0.083 4.545 4.640 -0.021 0.000 0.205 1010 D C 2.051 178.414 176.300 0.106 0.000 0.962 1010 D CA 0.873 54.952 54.000 0.132 0.000 0.860 1010 D CB 0.086 41.013 40.800 0.212 0.000 0.955 1010 D HN 0.364 nan 8.370 nan 0.000 0.505 1011 E N -0.198 120.050 120.200 0.082 0.000 2.330 1011 E HA 0.258 4.595 4.350 -0.021 0.000 0.200 1011 E C 1.249 177.870 176.600 0.036 0.000 0.922 1011 E CA 0.495 56.953 56.400 0.097 0.000 0.935 1011 E CB 0.939 30.720 29.700 0.135 0.000 0.917 1011 E HN 0.140 nan 8.360 nan 0.000 0.491 1012 G N 1.927 110.713 108.800 -0.023 0.000 2.855 1012 G HA2 -0.224 3.723 3.960 -0.021 0.000 0.352 1012 G HA3 -0.224 3.723 3.960 -0.021 0.000 0.352 1012 G C -0.913 173.946 174.900 -0.068 0.000 1.415 1012 G CA -0.123 44.945 45.100 -0.053 0.000 0.871 1012 G HN 0.156 nan 8.290 nan 0.000 0.543 1013 L N 0.125 121.304 121.223 -0.073 0.000 2.365 1013 L HA 0.924 5.252 4.340 -0.021 0.000 0.273 1013 L C 0.094 176.931 176.870 -0.055 0.000 1.000 1013 L CA -0.806 54.001 54.840 -0.055 0.000 0.819 1013 L CB 1.663 43.686 42.059 -0.061 0.000 1.284 1013 L HN 0.776 nan 8.230 nan 0.000 0.418 1014 R N 5.654 126.152 120.500 -0.003 0.000 2.514 1014 R HA 0.386 4.713 4.340 -0.021 0.000 0.296 1014 R C 0.121 176.470 176.300 0.082 0.000 1.012 1014 R CA -0.666 55.431 56.100 -0.005 0.000 0.897 1014 R CB 1.752 31.973 30.300 -0.132 0.000 1.184 1014 R HN 0.751 nan 8.270 nan 0.000 0.440 1015 L N 1.228 122.482 121.223 0.051 0.000 2.095 1015 L HA 0.040 4.367 4.340 -0.021 0.000 0.204 1015 L C 0.892 177.812 176.870 0.083 0.000 1.080 1015 L CA 1.354 56.229 54.840 0.058 0.000 0.759 1015 L CB -0.174 41.903 42.059 0.030 0.000 0.914 1015 L HN 0.371 nan 8.230 nan 0.000 0.439 1016 K N 0.236 120.693 120.400 0.094 0.000 2.127 1016 K HA 0.390 4.698 4.320 -0.021 0.000 0.240 1016 K C -0.134 176.579 176.600 0.188 0.000 1.024 1016 K CA -0.647 55.708 56.287 0.114 0.000 0.918 1016 K CB 1.079 33.636 32.500 0.095 0.000 1.108 1016 K HN -0.076 nan 8.250 nan 0.000 0.485 1017 I N 1.720 122.396 120.570 0.177 0.000 2.638 1017 I HA 0.116 4.274 4.170 -0.021 0.000 0.286 1017 I C -0.268 176.024 176.117 0.291 0.000 1.088 1017 I CA -0.160 61.266 61.300 0.210 0.000 1.397 1017 I CB 0.143 38.247 38.000 0.173 0.000 1.414 1017 I HN 0.555 nan 8.210 nan 0.000 0.566 1018 Y N 2.729 123.110 120.300 0.136 0.000 2.655 1018 Y HA 0.585 5.122 4.550 -0.021 0.000 0.336 1018 Y C -1.331 174.579 175.900 0.017 0.000 1.154 1018 Y CA -1.591 56.552 58.100 0.071 0.000 1.055 1018 Y CB 0.939 39.423 38.460 0.041 0.000 1.295 1018 Y HN 0.289 nan 8.280 nan 0.000 0.465 1019 K N 3.027 123.446 120.400 0.032 0.000 2.227 1019 K HA 0.171 4.479 4.320 -0.021 0.000 0.280 1019 K C -0.642 175.974 176.600 0.028 0.000 1.041 1019 K CA -0.731 55.471 56.287 -0.140 0.000 0.905 1019 K CB 0.684 33.077 32.500 -0.179 0.000 1.068 1019 K HN 0.770 nan 8.250 nan 0.000 0.470 1020 D N 1.340 121.686 120.400 -0.090 0.000 2.356 1020 D HA -0.094 4.534 4.640 -0.021 0.000 0.258 1020 D C 1.135 177.437 176.300 0.002 0.000 1.279 1020 D CA -0.144 53.888 54.000 0.053 0.000 1.016 1020 D CB 0.075 40.889 40.800 0.023 0.000 1.107 1020 D HN 0.562 nan 8.370 nan 0.000 0.544 1021 T N -3.067 111.501 114.554 0.024 0.000 2.962 1021 T HA -0.119 4.218 4.350 -0.021 0.000 0.270 1021 T C 1.021 175.665 174.700 -0.094 0.000 1.088 1021 T CA 0.784 62.876 62.100 -0.015 0.000 1.127 1021 T CB -0.189 68.692 68.868 0.022 0.000 0.883 1021 T HN 0.377 nan 8.240 nan 0.000 0.493 1022 E N 0.828 120.929 120.200 -0.165 0.000 2.479 1022 E HA 0.265 4.602 4.350 -0.021 0.000 0.193 1022 E C 1.735 177.884 176.600 -0.751 0.000 1.049 1022 E CA 0.581 56.761 56.400 -0.367 0.000 0.870 1022 E CB 0.085 29.620 29.700 -0.275 0.000 0.944 1022 E HN 0.733 nan 8.360 nan 0.000 0.492 1023 G N 0.800 109.290 108.800 -0.517 0.000 2.213 1023 G HA2 -0.267 3.680 3.960 -0.021 0.000 0.236 1023 G HA3 -0.267 3.680 3.960 -0.021 0.000 0.236 1023 G C -0.063 174.564 174.900 -0.455 0.000 0.991 1023 G CA 0.045 44.863 45.100 -0.470 0.000 0.629 1023 G HN 0.187 nan 8.290 nan 0.000 0.517 1024 Y N 0.079 120.286 120.300 -0.155 0.000 2.307 1024 Y HA 0.633 5.171 4.550 -0.021 0.000 0.324 1024 Y C 0.824 176.584 175.900 -0.233 0.000 1.238 1024 Y CA -1.635 56.365 58.100 -0.165 0.000 1.280 1024 Y CB 0.285 38.702 38.460 -0.071 0.000 1.248 1024 Y HN 0.151 nan 8.280 nan 0.000 0.508 1025 Y N 0.988 121.328 120.300 0.066 0.000 2.605 1025 Y HA 0.223 4.760 4.550 -0.021 0.000 0.336 1025 Y C 0.667 176.491 175.900 -0.127 0.000 1.111 1025 Y CA 0.423 58.492 58.100 -0.052 0.000 1.422 1025 Y CB 0.123 38.572 38.460 -0.018 0.000 1.193 1025 Y HN 0.533 nan 8.280 nan 0.000 0.526 1026 T N 4.885 119.318 114.554 -0.203 0.000 2.926 1026 T HA 0.739 5.076 4.350 -0.021 0.000 0.289 1026 T C -1.146 173.368 174.700 -0.310 0.000 1.054 1026 T CA -0.738 61.181 62.100 -0.302 0.000 1.015 1026 T CB 1.750 70.329 68.868 -0.482 0.000 1.167 1026 T HN 0.550 nan 8.240 nan 0.000 0.526 1027 I N -0.500 120.041 120.570 -0.048 0.000 2.882 1027 I HA 0.523 4.681 4.170 -0.021 0.000 0.298 1027 I C 0.365 176.626 176.117 0.240 0.000 1.462 1027 I CA 0.296 61.682 61.300 0.143 0.000 1.000 1027 I CB 1.465 39.549 38.000 0.140 0.000 1.340 1027 I HN 0.874 nan 8.210 nan 0.000 0.462 1028 G N 5.356 114.305 108.800 0.249 0.000 2.552 1028 G HA2 -0.264 3.683 3.960 -0.021 0.000 0.267 1028 G HA3 -0.264 3.683 3.960 -0.021 0.000 0.267 1028 G C -0.254 174.733 174.900 0.145 0.000 1.174 1028 G CA 0.269 45.467 45.100 0.163 0.000 0.955 1028 G HN 0.668 nan 8.290 nan 0.000 0.546 1029 I N 3.225 123.848 120.570 0.089 0.000 2.410 1029 I HA 0.510 4.667 4.170 -0.021 0.000 0.288 1029 I C 1.403 177.651 176.117 0.218 0.000 1.106 1029 I CA 0.861 62.142 61.300 -0.032 0.000 1.389 1029 I CB 0.278 37.941 38.000 -0.561 0.000 1.561 1029 I HN 1.914 nan 8.210 nan 0.000 0.605 1030 G N 2.042 111.020 108.800 0.298 0.000 2.350 1030 G HA2 -0.341 3.606 3.960 -0.021 0.000 0.298 1030 G HA3 -0.341 3.606 3.960 -0.021 0.000 0.298 1030 G C 0.065 175.149 174.900 0.306 0.000 1.037 1030 G CA 0.076 45.378 45.100 0.335 0.000 1.074 1030 G HN 0.724 nan 8.290 nan 0.000 0.511 1031 H N -0.252 118.919 119.070 0.169 0.000 2.552 1031 H HA 0.594 5.138 4.556 -0.021 0.000 0.311 1031 H C 0.409 175.752 175.328 0.024 0.000 1.071 1031 H CA -0.985 55.123 56.048 0.099 0.000 1.307 1031 H CB 0.846 30.686 29.762 0.130 0.000 1.416 1031 H HN 0.314 nan 8.280 nan 0.000 0.464 1032 L N 6.992 127.940 121.223 -0.457 0.000 2.290 1032 L HA 0.121 4.449 4.340 -0.021 0.000 0.284 1032 L C 0.158 176.794 176.870 -0.391 0.000 1.078 1032 L CA -0.270 54.385 54.840 -0.309 0.000 0.815 1032 L CB 0.566 42.492 42.059 -0.221 0.000 1.162 1032 L HN 0.863 nan 8.230 nan 0.000 0.435 1033 L N 3.288 124.442 121.223 -0.115 0.000 2.121 1033 L HA 0.145 4.473 4.340 -0.021 0.000 0.200 1033 L C 0.889 177.739 176.870 -0.035 0.000 1.077 1033 L CA 0.745 55.577 54.840 -0.013 0.000 0.766 1033 L CB -0.023 42.073 42.059 0.063 0.000 0.931 1033 L HN 0.636 nan 8.230 nan 0.000 0.452 1034 T N -2.020 112.529 114.554 -0.010 0.000 2.853 1034 T HA 0.245 4.582 4.350 -0.021 0.000 0.311 1034 T C -0.192 174.491 174.700 -0.028 0.000 1.307 1034 T CA -0.672 61.413 62.100 -0.025 0.000 1.019 1034 T CB 1.721 70.588 68.868 -0.002 0.000 1.264 1034 T HN 0.000 nan 8.240 nan 0.000 0.497 1035 K N 1.071 121.389 120.400 -0.135 0.000 2.393 1035 K HA 0.197 4.505 4.320 -0.021 0.000 0.193 1035 K C 0.930 177.533 176.600 0.005 0.000 1.026 1035 K CA -0.104 56.023 56.287 -0.266 0.000 1.064 1035 K CB 0.295 32.491 32.500 -0.507 0.000 0.833 1035 K HN 0.446 nan 8.250 nan 0.000 0.521 1036 S N 1.755 117.488 115.700 0.055 0.000 2.568 1036 S HA 0.064 4.521 4.470 -0.021 0.000 0.282 1036 S C -1.724 173.005 174.600 0.215 0.000 1.338 1036 S CA -1.298 56.959 58.200 0.095 0.000 1.045 1036 S CB 0.705 63.931 63.200 0.044 0.000 0.873 1036 S HN -0.022 nan 8.310 nan 0.000 0.516 1037 P HA 0.121 nan 4.420 nan 0.000 0.231 1037 P C 0.162 177.634 177.300 0.287 0.000 1.168 1037 P CA 0.161 63.404 63.100 0.238 0.000 0.779 1037 P CB 0.078 31.859 31.700 0.135 0.000 0.844 1038 S N -0.360 115.426 115.700 0.143 0.000 2.586 1038 S HA 0.238 4.695 4.470 -0.021 0.000 0.274 1038 S C 0.958 175.451 174.600 -0.178 0.000 1.281 1038 S CA -0.669 57.551 58.200 0.034 0.000 1.035 1038 S CB 0.278 63.476 63.200 -0.004 0.000 0.962 1038 S HN -0.118 nan 8.310 nan 0.000 0.512 1039 L N 5.405 126.478 121.223 -0.251 0.000 2.209 1039 L HA 0.165 4.492 4.340 -0.021 0.000 0.207 1039 L C 2.438 179.120 176.870 -0.314 0.000 1.094 1039 L CA 2.368 56.898 54.840 -0.515 0.000 0.790 1039 L CB -1.324 40.576 42.059 -0.265 0.000 0.932 1039 L HN 0.888 nan 8.230 nan 0.000 0.447 1040 N N -0.266 118.335 118.700 -0.165 0.000 2.364 1040 N HA -0.077 4.650 4.740 -0.021 0.000 0.183 1040 N C 1.869 177.317 175.510 -0.103 0.000 1.022 1040 N CA 1.379 54.364 53.050 -0.107 0.000 0.883 1040 N CB -0.677 37.773 38.487 -0.062 0.000 0.965 1040 N HN 0.603 nan 8.380 nan 0.000 0.438 1041 A N 0.185 122.932 122.820 -0.121 0.000 1.929 1041 A HA 0.462 4.769 4.320 -0.021 0.000 0.216 1041 A C 2.755 180.271 177.584 -0.113 0.000 1.176 1041 A CA 1.715 53.697 52.037 -0.093 0.000 0.628 1041 A CB -0.681 18.280 19.000 -0.065 0.000 0.816 1041 A HN 0.848 nan 8.150 nan 0.000 0.444 1042 A N 0.111 122.802 122.820 -0.214 0.000 1.873 1042 A HA -0.125 4.183 4.320 -0.021 0.000 0.215 1042 A C 2.105 179.618 177.584 -0.118 0.000 1.186 1042 A CA 1.711 53.627 52.037 -0.201 0.000 0.616 1042 A CB -0.428 18.300 19.000 -0.454 0.000 0.823 1042 A HN 0.494 nan 8.150 nan 0.000 0.442 1043 K N -0.387 119.933 120.400 -0.133 0.000 2.097 1043 K HA -0.113 4.194 4.320 -0.021 0.000 0.206 1043 K C 2.411 178.985 176.600 -0.043 0.000 1.049 1043 K CA 1.379 57.623 56.287 -0.072 0.000 0.933 1043 K CB -0.223 32.235 32.500 -0.070 0.000 0.717 1043 K HN 0.448 nan 8.250 nan 0.000 0.442 1044 S N 0.916 116.587 115.700 -0.048 0.000 2.382 1044 S HA -0.132 4.325 4.470 -0.021 0.000 0.228 1044 S C 1.771 176.361 174.600 -0.016 0.000 1.027 1044 S CA 1.125 59.307 58.200 -0.030 0.000 0.991 1044 S CB -0.032 63.149 63.200 -0.032 0.000 0.823 1044 S HN 0.200 nan 8.310 nan 0.000 0.469 1045 E N 0.645 120.836 120.200 -0.014 0.000 2.152 1045 E HA -0.050 4.288 4.350 -0.021 0.000 0.192 1045 E C 1.999 178.614 176.600 0.026 0.000 0.983 1045 E CA 0.578 56.984 56.400 0.010 0.000 0.818 1045 E CB -0.419 29.291 29.700 0.017 0.000 0.758 1045 E HN 0.443 nan 8.360 nan 0.000 0.467 1046 L N 1.635 122.869 121.223 0.018 0.000 2.156 1046 L HA -0.120 4.207 4.340 -0.021 0.000 0.208 1046 L C 1.237 178.111 176.870 0.007 0.000 1.095 1046 L CA 1.678 56.531 54.840 0.022 0.000 0.770 1046 L CB -0.158 41.913 42.059 0.020 0.000 0.914 1046 L HN -0.112 nan 8.230 nan 0.000 0.439 1047 D N -0.955 119.445 120.400 0.000 0.000 2.277 1047 D HA -0.128 4.499 4.640 -0.021 0.000 0.208 1047 D C 1.996 178.295 176.300 -0.002 0.000 0.962 1047 D CA 0.663 54.661 54.000 -0.003 0.000 0.865 1047 D CB 0.090 40.886 40.800 -0.006 0.000 0.939 1047 D HN 0.357 nan 8.370 nan 0.000 0.510 1048 K N 0.698 121.099 120.400 0.001 0.000 2.044 1048 K HA 0.039 4.346 4.320 -0.021 0.000 0.204 1048 K C 2.017 178.619 176.600 0.004 0.000 1.049 1048 K CA 0.876 57.165 56.287 0.003 0.000 0.945 1048 K CB 0.068 32.571 32.500 0.006 0.000 0.724 1048 K HN -0.007 nan 8.250 nan 0.000 0.440 1049 A N 1.558 124.382 122.820 0.007 0.000 1.877 1049 A HA -0.151 4.157 4.320 -0.021 0.000 0.216 1049 A C 2.012 179.587 177.584 -0.016 0.000 1.186 1049 A CA 1.314 53.348 52.037 -0.005 0.000 0.620 1049 A CB -0.453 18.536 19.000 -0.019 0.000 0.822 1049 A HN 0.243 nan 8.150 nan 0.000 0.443 1050 I N -2.077 118.485 120.570 -0.014 0.000 2.185 1050 I HA 0.077 4.234 4.170 -0.021 0.000 0.235 1050 I C 2.212 178.325 176.117 -0.007 0.000 1.069 1050 I CA 2.136 63.428 61.300 -0.013 0.000 1.354 1050 I CB -1.501 36.493 38.000 -0.009 0.000 1.093 1050 I HN 0.526 nan 8.210 nan 0.000 0.411 1051 G N 0.651 109.448 108.800 -0.005 0.000 2.551 1051 G HA2 -0.133 3.814 3.960 -0.021 0.000 0.186 1051 G HA3 -0.133 3.814 3.960 -0.021 0.000 0.186 1051 G C 0.544 175.442 174.900 -0.004 0.000 1.002 1051 G CA 0.059 45.157 45.100 -0.004 0.000 0.723 1051 G HN 0.477 nan 8.290 nan 0.000 0.481 1052 R N -0.646 119.852 120.500 -0.003 0.000 2.875 1052 R HA 0.702 5.029 4.340 -0.021 0.000 0.251 1052 R C 0.058 176.356 176.300 -0.003 0.000 1.123 1052 R CA -0.008 56.090 56.100 -0.003 0.000 1.064 1052 R CB 0.326 30.624 30.300 -0.002 0.000 1.205 1052 R HN 0.425 nan 8.270 nan 0.000 0.503 1053 N N 0.478 119.177 118.700 -0.003 0.000 2.895 1053 N HA 0.024 4.751 4.740 -0.021 0.000 0.277 1053 N C 1.011 176.520 175.510 -0.001 0.000 1.185 1053 N CA -0.011 53.037 53.050 -0.003 0.000 1.106 1053 N CB -0.051 38.434 38.487 -0.003 0.000 1.422 1053 N HN 0.715 nan 8.380 nan 0.000 0.521 1054 T N -2.414 112.139 114.554 -0.000 0.000 2.777 1054 T HA -0.043 4.294 4.350 -0.021 0.000 0.266 1054 T C 1.614 176.317 174.700 0.005 0.000 1.040 1054 T CA 1.871 63.973 62.100 0.003 0.000 1.141 1054 T CB -1.013 67.859 68.868 0.006 0.000 0.868 1054 T HN 1.772 nan 8.240 nan 0.000 0.444 1055 N N 0.079 118.780 118.700 0.001 0.000 2.776 1055 N HA 0.019 4.746 4.740 -0.021 0.000 0.249 1055 N C 1.825 177.340 175.510 0.008 0.000 1.111 1055 N CA 1.338 54.388 53.050 0.001 0.000 0.711 1055 N CB -2.203 36.286 38.487 0.003 0.000 1.065 1055 N HN 1.982 nan 8.380 nan 0.000 0.556 1056 G N -3.307 105.499 108.800 0.010 0.000 2.284 1056 G HA2 0.108 4.055 3.960 -0.021 0.000 0.230 1056 G HA3 0.108 4.055 3.960 -0.021 0.000 0.230 1056 G C 0.811 175.734 174.900 0.039 0.000 1.021 1056 G CA 1.271 46.386 45.100 0.025 0.000 0.619 1056 G HN 2.334 nan 8.290 nan 0.000 0.510 1057 V N 0.724 120.656 119.914 0.030 0.000 2.539 1057 V HA 0.876 4.984 4.120 -0.021 0.000 0.292 1057 V C 0.494 176.604 176.094 0.027 0.000 1.045 1057 V CA -0.525 61.794 62.300 0.032 0.000 0.945 1057 V CB 1.361 33.199 31.823 0.025 0.000 0.993 1057 V HN 1.181 nan 8.190 nan 0.000 0.464 1058 I N 1.244 121.832 120.570 0.031 0.000 3.264 1058 I HA 0.933 5.091 4.170 -0.021 0.000 0.315 1058 I C 0.093 176.222 176.117 0.020 0.000 1.154 1058 I CA -0.540 60.775 61.300 0.024 0.000 0.962 1058 I CB 2.259 40.276 38.000 0.028 0.000 1.265 1058 I HN 0.789 nan 8.210 nan 0.000 0.463 1059 T N -1.721 112.842 114.554 0.014 0.000 2.922 1059 T HA 0.387 4.724 4.350 -0.021 0.000 0.281 1059 T C 0.620 175.326 174.700 0.010 0.000 1.005 1059 T CA -0.564 61.542 62.100 0.009 0.000 0.982 1059 T CB 1.818 70.689 68.868 0.004 0.000 1.158 1059 T HN 0.873 nan 8.240 nan 0.000 0.566 1060 K N -0.034 120.369 120.400 0.004 0.000 2.148 1060 K HA -0.104 4.203 4.320 -0.021 0.000 0.204 1060 K C 1.316 177.918 176.600 0.004 0.000 1.050 1060 K CA 1.662 57.950 56.287 0.001 0.000 0.942 1060 K CB -0.360 32.136 32.500 -0.007 0.000 0.724 1060 K HN 0.662 nan 8.250 nan 0.000 0.446 1061 D N 0.376 120.777 120.400 0.002 0.000 2.097 1061 D HA -0.126 4.501 4.640 -0.021 0.000 0.197 1061 D C 1.570 177.874 176.300 0.007 0.000 0.984 1061 D CA 1.195 55.196 54.000 0.001 0.000 0.826 1061 D CB 0.120 40.917 40.800 -0.005 0.000 0.973 1061 D HN 0.278 nan 8.370 nan 0.000 0.460 1062 E N 0.521 120.725 120.200 0.007 0.000 2.085 1062 E HA -0.186 4.151 4.350 -0.021 0.000 0.194 1062 E C 2.147 178.757 176.600 0.017 0.000 0.994 1062 E CA 1.008 57.412 56.400 0.007 0.000 0.801 1062 E CB -0.127 29.576 29.700 0.005 0.000 0.743 1062 E HN 0.262 nan 8.360 nan 0.000 0.453 1063 A N 1.278 124.114 122.820 0.028 0.000 1.930 1063 A HA -0.228 4.080 4.320 -0.021 0.000 0.217 1063 A C 2.023 179.666 177.584 0.098 0.000 1.175 1063 A CA 1.420 53.487 52.037 0.050 0.000 0.627 1063 A CB -0.376 18.648 19.000 0.040 0.000 0.815 1063 A HN 0.209 nan 8.150 nan 0.000 0.443 1064 E N 0.216 120.463 120.200 0.078 0.000 2.110 1064 E HA -0.239 4.098 4.350 -0.021 0.000 0.193 1064 E C 2.001 178.666 176.600 0.108 0.000 0.988 1064 E CA 1.536 58.006 56.400 0.118 0.000 0.804 1064 E CB -0.096 29.632 29.700 0.046 0.000 0.745 1064 E HN 0.788 nan 8.360 nan 0.000 0.458 1065 K N 0.133 120.564 120.400 0.051 0.000 2.228 1065 K HA -0.110 4.197 4.320 -0.021 0.000 0.202 1065 K C 2.077 178.704 176.600 0.045 0.000 1.051 1065 K CA 0.718 57.018 56.287 0.022 0.000 0.960 1065 K CB -0.051 32.449 32.500 0.000 0.000 0.743 1065 K HN 0.092 nan 8.250 nan 0.000 0.458 1066 L N 0.735 121.998 121.223 0.067 0.000 2.131 1066 L HA 0.073 4.400 4.340 -0.021 0.000 0.206 1066 L C 1.957 178.945 176.870 0.197 0.000 1.087 1066 L CA 1.217 56.089 54.840 0.053 0.000 0.767 1066 L CB -0.844 41.180 42.059 -0.058 0.000 0.917 1066 L HN 0.222 nan 8.230 nan 0.000 0.441 1067 F N 0.781 120.789 119.950 0.097 0.000 2.216 1067 F HA -0.197 4.317 4.527 -0.021 0.000 0.300 1067 F C 2.118 178.067 175.800 0.248 0.000 1.085 1067 F CA 1.349 59.471 58.000 0.202 0.000 1.326 1067 F CB -0.516 38.574 39.000 0.150 0.000 1.027 1067 F HN 0.275 nan 8.300 nan 0.000 0.497 1068 N N 0.538 119.267 118.700 0.049 0.000 2.080 1068 N HA -0.178 4.550 4.740 -0.021 0.000 0.189 1068 N C 1.840 177.398 175.510 0.081 0.000 1.036 1068 N CA 1.646 54.694 53.050 -0.003 0.000 0.846 1068 N CB -0.767 37.682 38.487 -0.064 0.000 1.015 1068 N HN 0.453 nan 8.380 nan 0.000 0.423 1069 Q N 0.364 120.218 119.800 0.090 0.000 2.096 1069 Q HA -0.136 4.192 4.340 -0.021 0.000 0.204 1069 Q C 1.048 177.129 176.000 0.135 0.000 0.982 1069 Q CA 1.379 57.237 55.803 0.092 0.000 0.850 1069 Q CB -0.046 28.735 28.738 0.071 0.000 0.901 1069 Q HN 0.379 nan 8.270 nan 0.000 0.422 1070 D N -0.242 120.291 120.400 0.221 0.000 2.103 1070 D HA -0.107 4.521 4.640 -0.021 0.000 0.199 1070 D C 1.987 178.482 176.300 0.325 0.000 0.978 1070 D CA 0.813 54.981 54.000 0.280 0.000 0.829 1070 D CB -0.340 40.725 40.800 0.442 0.000 0.981 1070 D HN 0.013 nan 8.370 nan 0.000 0.464 1071 V N 1.050 121.189 119.914 0.375 0.000 2.332 1071 V HA -0.271 3.837 4.120 -0.021 0.000 0.248 1071 V C 2.042 178.197 176.094 0.101 0.000 1.055 1071 V CA 2.028 64.449 62.300 0.201 0.000 1.038 1071 V CB -0.471 31.259 31.823 -0.155 0.000 0.651 1071 V HN 0.135 nan 8.190 nan 0.000 0.450 1072 D N -0.248 120.209 120.400 0.095 0.000 2.117 1072 D HA -0.130 4.497 4.640 -0.021 0.000 0.197 1072 D C 2.133 178.460 176.300 0.046 0.000 0.987 1072 D CA 1.301 55.339 54.000 0.063 0.000 0.829 1072 D CB -0.154 40.685 40.800 0.066 0.000 0.961 1072 D HN 0.394 nan 8.370 nan 0.000 0.460 1073 A N 0.461 123.320 122.820 0.064 0.000 1.940 1073 A HA -0.039 4.268 4.320 -0.021 0.000 0.219 1073 A C 2.339 179.934 177.584 0.018 0.000 1.176 1073 A CA 2.030 54.088 52.037 0.036 0.000 0.631 1073 A CB -1.039 17.985 19.000 0.042 0.000 0.814 1073 A HN 0.332 nan 8.150 nan 0.000 0.446 1074 A N -0.609 122.244 122.820 0.056 0.000 1.908 1074 A HA -0.024 4.283 4.320 -0.021 0.000 0.218 1074 A C 2.254 179.821 177.584 -0.027 0.000 1.181 1074 A CA 1.891 53.956 52.037 0.048 0.000 0.627 1074 A CB -0.908 18.196 19.000 0.173 0.000 0.818 1074 A HN 0.387 nan 8.150 nan 0.000 0.445 1075 V N -0.072 119.816 119.914 -0.044 0.000 2.270 1075 V HA -0.252 3.855 4.120 -0.021 0.000 0.245 1075 V C 2.610 178.610 176.094 -0.156 0.000 1.043 1075 V CA 2.175 64.387 62.300 -0.147 0.000 1.014 1075 V CB -0.819 30.958 31.823 -0.076 0.000 0.645 1075 V HN 0.533 nan 8.190 nan 0.000 0.447 1076 R N 0.156 120.611 120.500 -0.075 0.000 2.117 1076 R HA -0.153 4.174 4.340 -0.021 0.000 0.243 1076 R C 2.391 178.648 176.300 -0.072 0.000 1.143 1076 R CA 1.597 57.661 56.100 -0.060 0.000 0.968 1076 R CB -0.791 29.494 30.300 -0.026 0.000 0.863 1076 R HN 0.608 nan 8.270 nan 0.000 0.444 1077 G N 0.873 109.631 108.800 -0.070 0.000 2.394 1077 G HA2 -0.177 3.770 3.960 -0.021 0.000 0.215 1077 G HA3 -0.177 3.770 3.960 -0.021 0.000 0.215 1077 G C 1.454 176.301 174.900 -0.088 0.000 1.165 1077 G CA 0.271 45.332 45.100 -0.064 0.000 0.784 1077 G HN 0.134 nan 8.290 nan 0.000 0.535 1078 I N 0.611 121.100 120.570 -0.136 0.000 2.194 1078 I HA -0.182 3.975 4.170 -0.021 0.000 0.246 1078 I C 2.636 178.645 176.117 -0.181 0.000 1.093 1078 I CA 0.915 62.106 61.300 -0.182 0.000 1.355 1078 I CB -0.116 37.673 38.000 -0.351 0.000 1.046 1078 I HN 0.129 nan 8.210 nan 0.000 0.413 1079 L N 0.207 121.307 121.223 -0.206 0.000 2.156 1079 L HA -0.169 4.159 4.340 -0.021 0.000 0.208 1079 L C 3.090 179.922 176.870 -0.063 0.000 1.095 1079 L CA 1.213 55.977 54.840 -0.128 0.000 0.770 1079 L CB -0.848 41.142 42.059 -0.114 0.000 0.914 1079 L HN 0.228 nan 8.230 nan 0.000 0.439 1080 R N 0.197 120.661 120.500 -0.060 0.000 2.276 1080 R HA -0.003 4.325 4.340 -0.021 0.000 0.203 1080 R C 0.947 177.228 176.300 -0.032 0.000 1.017 1080 R CA 0.589 56.667 56.100 -0.037 0.000 1.010 1080 R CB -1.051 29.229 30.300 -0.035 0.000 0.900 1080 R HN 0.375 nan 8.270 nan 0.000 0.469 1081 N N 0.119 118.797 118.700 -0.037 0.000 2.479 1081 N HA 0.332 5.059 4.740 -0.021 0.000 0.285 1081 N C 0.797 176.297 175.510 -0.017 0.000 1.075 1081 N CA 0.515 53.548 53.050 -0.028 0.000 0.967 1081 N CB 1.797 40.265 38.487 -0.031 0.000 1.137 1081 N HN 0.142 nan 8.380 nan 0.000 0.472 1082 A N 4.021 126.834 122.820 -0.012 0.000 2.066 1082 A HA -0.038 4.269 4.320 -0.021 0.000 0.218 1082 A C 1.850 179.435 177.584 0.001 0.000 1.157 1082 A CA 1.163 53.197 52.037 -0.005 0.000 0.670 1082 A CB 0.030 19.026 19.000 -0.007 0.000 0.804 1082 A HN 0.787 nan 8.150 nan 0.000 0.453 1083 K N -1.051 119.349 120.400 -0.000 0.000 2.276 1083 K HA 0.310 4.618 4.320 -0.021 0.000 0.198 1083 K C 1.408 178.020 176.600 0.019 0.000 1.052 1083 K CA 0.315 56.606 56.287 0.006 0.000 0.984 1083 K CB 0.070 32.568 32.500 -0.002 0.000 0.836 1083 K HN 0.400 nan 8.250 nan 0.000 0.490 1084 L N 0.643 121.877 121.223 0.019 0.000 2.354 1084 L HA 0.052 4.380 4.340 -0.021 0.000 0.212 1084 L C 2.343 179.253 176.870 0.066 0.000 1.091 1084 L CA 0.441 55.304 54.840 0.039 0.000 0.828 1084 L CB -0.106 41.966 42.059 0.021 0.000 0.973 1084 L HN 0.041 nan 8.230 nan 0.000 0.461 1085 K N 1.054 121.478 120.400 0.040 0.000 2.009 1085 K HA -0.177 4.130 4.320 -0.021 0.000 0.210 1085 K C -0.480 176.189 176.600 0.116 0.000 1.049 1085 K CA 1.730 58.057 56.287 0.066 0.000 0.929 1085 K CB -0.876 31.642 32.500 0.030 0.000 0.714 1085 K HN 0.143 nan 8.250 nan 0.000 0.440 1086 P HA -0.147 nan 4.420 nan 0.000 0.216 1086 P C 1.502 178.854 177.300 0.086 0.000 1.150 1086 P CA 1.124 64.266 63.100 0.070 0.000 0.843 1086 P CB -0.017 31.708 31.700 0.042 0.000 0.787 1087 V N -1.266 118.705 119.914 0.094 0.000 2.237 1087 V HA -0.287 3.821 4.120 -0.021 0.000 0.245 1087 V C 2.339 178.520 176.094 0.144 0.000 1.046 1087 V CA 1.849 64.208 62.300 0.099 0.000 1.007 1087 V CB -1.688 30.186 31.823 0.085 0.000 0.638 1087 V HN -0.002 nan 8.190 nan 0.000 0.445 1088 Y N 1.658 121.986 120.300 0.046 0.000 2.040 1088 Y HA -0.345 4.192 4.550 -0.021 0.000 0.275 1088 Y C 2.513 178.443 175.900 0.050 0.000 1.171 1088 Y CA 2.283 60.414 58.100 0.052 0.000 1.123 1088 Y CB -0.618 37.867 38.460 0.041 0.000 0.963 1088 Y HN 0.315 nan 8.280 nan 0.000 0.493 1089 D N -0.599 119.893 120.400 0.154 0.000 2.133 1089 D HA -0.225 4.403 4.640 -0.021 0.000 0.192 1089 D C 2.421 178.720 176.300 -0.002 0.000 1.001 1089 D CA 2.084 56.117 54.000 0.055 0.000 0.844 1089 D CB -0.673 40.183 40.800 0.093 0.000 0.944 1089 D HN 0.525 nan 8.370 nan 0.000 0.447 1090 S N -0.273 115.447 115.700 0.034 0.000 2.474 1090 S HA -0.071 4.386 4.470 -0.021 0.000 0.235 1090 S C 1.163 175.800 174.600 0.060 0.000 0.997 1090 S CA 0.180 58.408 58.200 0.048 0.000 0.949 1090 S CB -0.291 62.949 63.200 0.065 0.000 0.766 1090 S HN 0.135 nan 8.310 nan 0.000 0.517 1091 L N 2.663 123.891 121.223 0.008 0.000 2.399 1091 L HA 0.409 4.736 4.340 -0.021 0.000 0.265 1091 L C 0.379 177.194 176.870 -0.092 0.000 1.089 1091 L CA -0.990 53.850 54.840 0.000 0.000 0.802 1091 L CB 0.531 42.585 42.059 -0.009 0.000 1.180 1091 L HN 0.340 nan 8.230 nan 0.000 0.454 1092 D N 1.057 121.395 120.400 -0.103 0.000 2.387 1092 D HA 0.151 4.779 4.640 -0.021 0.000 0.251 1092 D C 0.770 176.973 176.300 -0.162 0.000 1.141 1092 D CA -0.257 53.668 54.000 -0.126 0.000 0.987 1092 D CB 1.507 42.230 40.800 -0.129 0.000 1.116 1092 D HN 0.548 nan 8.370 nan 0.000 0.491 1093 A N 0.917 123.664 122.820 -0.121 0.000 1.948 1093 A HA -0.146 4.162 4.320 -0.021 0.000 0.220 1093 A C 2.287 179.813 177.584 -0.097 0.000 1.177 1093 A CA 1.857 53.843 52.037 -0.085 0.000 0.636 1093 A CB -0.873 18.122 19.000 -0.008 0.000 0.815 1093 A HN 0.436 nan 8.150 nan 0.000 0.449 1094 V N -0.190 119.601 119.914 -0.205 0.000 2.229 1094 V HA -0.262 3.846 4.120 -0.021 0.000 0.243 1094 V C 2.618 178.399 176.094 -0.521 0.000 1.042 1094 V CA 2.243 64.229 62.300 -0.523 0.000 1.000 1094 V CB -0.827 30.511 31.823 -0.809 0.000 0.637 1094 V HN 0.554 nan 8.190 nan 0.000 0.446 1095 R N -0.250 120.008 120.500 -0.404 0.000 2.091 1095 R HA -0.174 4.153 4.340 -0.021 0.000 0.238 1095 R C 2.493 178.729 176.300 -0.107 0.000 1.136 1095 R CA 1.615 57.552 56.100 -0.271 0.000 0.959 1095 R CB -0.442 29.774 30.300 -0.139 0.000 0.856 1095 R HN 0.450 nan 8.270 nan 0.000 0.437 1096 R N 0.351 120.781 120.500 -0.116 0.000 2.117 1096 R HA -0.172 4.156 4.340 -0.021 0.000 0.243 1096 R C 2.361 178.673 176.300 0.020 0.000 1.143 1096 R CA 1.488 57.542 56.100 -0.077 0.000 0.968 1096 R CB -0.428 29.690 30.300 -0.305 0.000 0.863 1096 R HN 0.261 nan 8.270 nan 0.000 0.444 1097 A N 1.206 123.984 122.820 -0.071 0.000 1.851 1097 A HA -0.177 4.130 4.320 -0.021 0.000 0.216 1097 A C 2.406 179.925 177.584 -0.108 0.000 1.195 1097 A CA 1.833 53.838 52.037 -0.053 0.000 0.622 1097 A CB -0.986 18.032 19.000 0.031 0.000 0.831 1097 A HN 0.412 nan 8.150 nan 0.000 0.444 1098 A N -0.738 121.895 122.820 -0.312 0.000 1.958 1098 A HA -0.161 4.146 4.320 -0.021 0.000 0.221 1098 A C 2.159 179.657 177.584 -0.142 0.000 1.178 1098 A CA 2.079 53.814 52.037 -0.504 0.000 0.642 1098 A CB -0.697 17.476 19.000 -1.379 0.000 0.816 1098 A HN 0.751 nan 8.150 nan 0.000 0.453 1099 L N -0.151 121.171 121.223 0.166 0.000 1.976 1099 L HA -0.100 4.227 4.340 -0.021 0.000 0.209 1099 L C 2.277 179.270 176.870 0.205 0.000 1.071 1099 L CA 2.010 57.065 54.840 0.357 0.000 0.746 1099 L CB -0.653 41.636 42.059 0.382 0.000 0.890 1099 L HN 0.427 nan 8.230 nan 0.000 0.432 1100 I N 0.328 121.002 120.570 0.173 0.000 2.236 1100 I HA -0.379 3.778 4.170 -0.021 0.000 0.249 1100 I C 2.473 178.685 176.117 0.158 0.000 1.102 1100 I CA 1.678 63.061 61.300 0.138 0.000 1.365 1100 I CB -0.752 37.299 38.000 0.085 0.000 1.051 1100 I HN 0.528 nan 8.210 nan 0.000 0.420 1101 N N 1.320 120.085 118.700 0.108 0.000 2.043 1101 N HA -0.228 4.499 4.740 -0.021 0.000 0.193 1101 N C 1.964 177.605 175.510 0.218 0.000 1.037 1101 N CA 1.993 55.130 53.050 0.145 0.000 0.851 1101 N CB -0.161 38.378 38.487 0.087 0.000 1.027 1101 N HN 0.308 nan 8.380 nan 0.000 0.422 1102 M N 0.148 119.841 119.600 0.155 0.000 2.080 1102 M HA -0.144 4.323 4.480 -0.021 0.000 0.260 1102 M C 2.306 178.644 176.300 0.064 0.000 1.068 1102 M CA 1.197 56.527 55.300 0.051 0.000 1.109 1102 M CB -0.232 32.313 32.600 -0.091 0.000 1.342 1102 M HN -0.031 nan 8.290 nan 0.000 0.405 1103 V N -0.288 119.686 119.914 0.100 0.000 2.392 1103 V HA -0.294 3.814 4.120 -0.021 0.000 0.249 1103 V C 2.056 178.224 176.094 0.123 0.000 1.059 1103 V CA 1.906 64.259 62.300 0.088 0.000 1.051 1103 V CB -0.730 31.140 31.823 0.079 0.000 0.658 1103 V HN 0.379 nan 8.190 nan 0.000 0.455 1104 F N -0.002 119.987 119.950 0.065 0.000 2.365 1104 F HA -0.158 4.356 4.527 -0.021 0.000 0.300 1104 F C 2.425 178.294 175.800 0.116 0.000 1.090 1104 F CA 1.943 60.002 58.000 0.098 0.000 1.408 1104 F CB 0.064 39.141 39.000 0.129 0.000 1.060 1104 F HN 0.163 nan 8.300 nan 0.000 0.534 1105 Q N -0.393 119.574 119.800 0.279 0.000 2.061 1105 Q HA -0.062 4.266 4.340 -0.021 0.000 0.195 1105 Q C 1.731 177.805 176.000 0.123 0.000 0.967 1105 Q CA 1.205 57.145 55.803 0.229 0.000 0.829 1105 Q CB 0.044 28.958 28.738 0.293 0.000 0.900 1105 Q HN 0.394 nan 8.270 nan 0.000 0.450 1106 M N -0.046 119.603 119.600 0.083 0.000 2.333 1106 M HA 0.262 4.729 4.480 -0.021 0.000 0.257 1106 M C 0.288 176.596 176.300 0.013 0.000 1.078 1106 M CA 0.340 55.673 55.300 0.056 0.000 1.005 1106 M CB 1.485 34.111 32.600 0.042 0.000 1.444 1106 M HN 0.336 nan 8.290 nan 0.000 0.496 1107 G N 1.332 110.127 108.800 -0.010 0.000 2.825 1107 G HA2 -0.232 3.716 3.960 -0.021 0.000 0.684 1107 G HA3 -0.232 3.716 3.960 -0.021 0.000 0.684 1107 G C -0.028 174.858 174.900 -0.023 0.000 1.528 1107 G CA -0.298 44.781 45.100 -0.034 0.000 0.963 1107 G HN 0.433 nan 8.290 nan 0.000 0.577 1108 E N -0.062 120.120 120.200 -0.031 0.000 2.033 1108 E HA -0.133 4.205 4.350 -0.021 0.000 0.199 1108 E C 2.906 179.487 176.600 -0.031 0.000 1.011 1108 E CA 3.008 59.393 56.400 -0.026 0.000 0.815 1108 E CB -0.322 29.357 29.700 -0.035 0.000 0.755 1108 E HN 0.973 nan 8.360 nan 0.000 0.451 1109 T N -2.269 112.260 114.554 -0.041 0.000 2.962 1109 T HA -0.030 4.308 4.350 -0.021 0.000 0.270 1109 T C 1.980 176.633 174.700 -0.078 0.000 1.088 1109 T CA 0.917 62.985 62.100 -0.054 0.000 1.127 1109 T CB -0.413 68.424 68.868 -0.052 0.000 0.883 1109 T HN 0.228 nan 8.240 nan 0.000 0.493 1110 G N 0.915 109.673 108.800 -0.069 0.000 2.430 1110 G HA2 -0.009 3.938 3.960 -0.021 0.000 0.216 1110 G HA3 -0.009 3.938 3.960 -0.021 0.000 0.216 1110 G C 1.523 176.332 174.900 -0.152 0.000 1.146 1110 G CA 0.666 45.705 45.100 -0.102 0.000 0.793 1110 G HN 0.499 nan 8.290 nan 0.000 0.537 1111 V N 1.175 121.069 119.914 -0.033 0.000 2.649 1111 V HA 0.080 4.187 4.120 -0.021 0.000 0.248 1111 V C 3.101 179.234 176.094 0.066 0.000 1.054 1111 V CA 1.464 63.830 62.300 0.110 0.000 1.073 1111 V CB -0.251 31.625 31.823 0.089 0.000 0.699 1111 V HN 0.402 nan 8.190 nan 0.000 0.463 1112 A N 0.813 123.616 122.820 -0.028 0.000 2.168 1112 A HA 0.055 4.363 4.320 -0.021 0.000 0.215 1112 A C 2.250 179.781 177.584 -0.089 0.000 1.152 1112 A CA 1.260 53.279 52.037 -0.030 0.000 0.716 1112 A CB -0.781 18.199 19.000 -0.033 0.000 0.794 1112 A HN 0.521 nan 8.150 nan 0.000 0.465 1113 G N -1.211 107.457 108.800 -0.221 0.000 2.559 1113 G HA2 0.004 3.951 3.960 -0.021 0.000 0.216 1113 G HA3 0.004 3.951 3.960 -0.021 0.000 0.216 1113 G C 0.336 175.042 174.900 -0.324 0.000 1.126 1113 G CA 0.132 45.047 45.100 -0.308 0.000 0.778 1113 G HN 0.396 nan 8.290 nan 0.000 0.543 1114 F N 2.093 122.022 119.950 -0.035 0.000 2.640 1114 F HA 0.277 4.791 4.527 -0.021 0.000 0.354 1114 F C 1.781 177.560 175.800 -0.036 0.000 1.213 1114 F CA -0.382 57.598 58.000 -0.033 0.000 1.314 1114 F CB -0.113 38.851 39.000 -0.059 0.000 1.679 1114 F HN -0.105 nan 8.300 nan 0.000 0.622 1115 T N -1.004 113.599 114.554 0.082 0.000 2.770 1115 T HA -0.170 4.167 4.350 -0.021 0.000 0.263 1115 T C 2.047 176.774 174.700 0.045 0.000 1.039 1115 T CA 1.228 63.353 62.100 0.043 0.000 1.142 1115 T CB -0.077 68.797 68.868 0.011 0.000 0.868 1115 T HN 0.270 nan 8.240 nan 0.000 0.435 1116 N N 1.334 120.067 118.700 0.056 0.000 2.036 1116 N HA -0.082 4.646 4.740 -0.021 0.000 0.195 1116 N C 2.157 177.683 175.510 0.026 0.000 1.037 1116 N CA 1.524 54.597 53.050 0.039 0.000 0.855 1116 N CB -0.572 37.945 38.487 0.050 0.000 1.033 1116 N HN 0.270 nan 8.380 nan 0.000 0.423 1117 S N 0.526 116.254 115.700 0.046 0.000 2.368 1117 S HA 0.056 4.513 4.470 -0.021 0.000 0.224 1117 S C 2.087 176.664 174.600 -0.039 0.000 1.029 1117 S CA 0.467 58.663 58.200 -0.007 0.000 0.988 1117 S CB -0.215 62.967 63.200 -0.031 0.000 0.838 1117 S HN 0.244 nan 8.310 nan 0.000 0.462 1118 L N 1.000 122.218 121.223 -0.008 0.000 2.131 1118 L HA -0.065 4.263 4.340 -0.021 0.000 0.210 1118 L C 2.705 179.562 176.870 -0.022 0.000 1.092 1118 L CA 1.059 55.887 54.840 -0.021 0.000 0.759 1118 L CB -0.324 41.745 42.059 0.017 0.000 0.903 1118 L HN 0.238 nan 8.230 nan 0.000 0.435 1119 R N -0.138 120.351 120.500 -0.018 0.000 2.115 1119 R HA -0.102 4.225 4.340 -0.021 0.000 0.226 1119 R C 2.268 178.534 176.300 -0.057 0.000 1.100 1119 R CA 1.127 57.209 56.100 -0.029 0.000 0.980 1119 R CB -0.008 30.279 30.300 -0.021 0.000 0.875 1119 R HN 0.304 nan 8.270 nan 0.000 0.445 1120 M N -0.022 119.539 119.600 -0.064 0.000 2.236 1120 M HA -0.086 4.381 4.480 -0.021 0.000 0.266 1120 M C 2.036 178.250 176.300 -0.143 0.000 1.070 1120 M CA 1.254 56.493 55.300 -0.102 0.000 1.137 1120 M CB -0.019 32.534 32.600 -0.078 0.000 1.378 1120 M HN 0.135 nan 8.290 nan 0.000 0.426 1121 L N -0.171 121.001 121.223 -0.084 0.000 2.046 1121 L HA -0.240 4.088 4.340 -0.021 0.000 0.208 1121 L C 2.663 179.518 176.870 -0.025 0.000 1.077 1121 L CA 1.484 56.322 54.840 -0.004 0.000 0.747 1121 L CB -0.685 41.363 42.059 -0.018 0.000 0.896 1121 L HN 0.406 nan 8.230 nan 0.000 0.432 1122 Q N -0.062 119.717 119.800 -0.035 0.000 2.224 1122 Q HA -0.220 4.108 4.340 -0.021 0.000 0.203 1122 Q C 1.834 177.776 176.000 -0.097 0.000 0.970 1122 Q CA 1.194 56.980 55.803 -0.029 0.000 0.865 1122 Q CB 0.139 28.870 28.738 -0.012 0.000 0.922 1122 Q HN 0.545 nan 8.270 nan 0.000 0.445 1123 Q N -0.277 119.429 119.800 -0.156 0.000 2.415 1123 Q HA 0.009 4.336 4.340 -0.021 0.000 0.206 1123 Q C -0.328 175.452 176.000 -0.367 0.000 0.946 1123 Q CA 0.061 55.744 55.803 -0.200 0.000 0.951 1123 Q CB 0.546 29.187 28.738 -0.161 0.000 1.026 1123 Q HN 0.156 nan 8.270 nan 0.000 0.510 1124 K N -0.503 119.538 120.400 -0.598 0.000 3.274 1124 K HA -0.209 4.098 4.320 -0.021 0.000 0.300 1124 K C -0.626 175.073 176.600 -1.502 0.000 1.230 1124 K CA 0.881 56.385 56.287 -1.306 0.000 0.884 1124 K CB -1.528 30.565 32.500 -0.677 0.000 1.242 1124 K HN 0.355 nan 8.250 nan 0.000 0.467 1125 R N 0.458 120.454 120.500 -0.840 0.000 3.266 1125 R HA 0.113 4.441 4.340 -0.021 0.000 0.224 1125 R C 0.966 177.081 176.300 -0.307 0.000 1.525 1125 R CA -0.204 55.596 56.100 -0.499 0.000 1.364 1125 R CB -0.358 29.790 30.300 -0.254 0.000 1.276 1125 R HN 0.261 nan 8.270 nan 0.000 0.660 1126 W N 0.761 122.058 121.300 -0.004 0.000 2.378 1126 W HA -0.101 4.546 4.660 -0.021 0.000 0.313 1126 W C 1.365 177.892 176.519 0.014 0.000 1.197 1126 W CA 0.107 57.458 57.345 0.010 0.000 1.304 1126 W CB -0.061 29.414 29.460 0.025 0.000 1.148 1126 W HN 0.345 nan 8.180 nan 0.000 0.494 1127 D N 0.430 120.956 120.400 0.210 0.000 2.218 1127 D HA -0.148 4.479 4.640 -0.021 0.000 0.204 1127 D C 1.780 178.122 176.300 0.070 0.000 0.976 1127 D CA 1.313 55.388 54.000 0.125 0.000 0.853 1127 D CB -0.306 40.547 40.800 0.088 0.000 0.939 1127 D HN 0.356 nan 8.370 nan 0.000 0.481 1128 E N 0.036 120.256 120.200 0.034 0.000 2.112 1128 E HA 0.008 4.346 4.350 -0.021 0.000 0.190 1128 E C 1.931 178.540 176.600 0.016 0.000 0.979 1128 E CA 0.733 57.137 56.400 0.007 0.000 0.814 1128 E CB 0.067 29.751 29.700 -0.027 0.000 0.762 1128 E HN 0.163 nan 8.360 nan 0.000 0.460 1129 A N 1.075 123.911 122.820 0.027 0.000 2.119 1129 A HA 0.149 4.456 4.320 -0.021 0.000 0.216 1129 A C 2.207 179.822 177.584 0.051 0.000 1.152 1129 A CA 1.037 53.085 52.037 0.018 0.000 0.708 1129 A CB -0.139 18.855 19.000 -0.011 0.000 0.805 1129 A HN 0.243 nan 8.150 nan 0.000 0.460 1130 A N -0.542 122.336 122.820 0.096 0.000 1.970 1130 A HA 0.128 4.435 4.320 -0.021 0.000 0.216 1130 A C 2.040 179.663 177.584 0.066 0.000 1.170 1130 A CA 1.499 53.608 52.037 0.120 0.000 0.645 1130 A CB -0.487 18.599 19.000 0.144 0.000 0.816 1130 A HN 0.317 nan 8.150 nan 0.000 0.447 1131 V N 0.515 120.451 119.914 0.037 0.000 2.591 1131 V HA -0.142 3.965 4.120 -0.021 0.000 0.249 1131 V C 2.267 178.353 176.094 -0.013 0.000 1.053 1131 V CA 1.967 64.266 62.300 -0.001 0.000 1.068 1131 V CB -0.904 30.919 31.823 0.001 0.000 0.689 1131 V HN 0.637 nan 8.190 nan 0.000 0.462 1132 N N 0.142 118.846 118.700 0.007 0.000 2.331 1132 N HA -0.029 4.699 4.740 -0.021 0.000 0.180 1132 N C 1.518 177.042 175.510 0.024 0.000 1.019 1132 N CA 1.053 54.110 53.050 0.012 0.000 0.881 1132 N CB -0.129 38.368 38.487 0.017 0.000 0.972 1132 N HN 0.418 nan 8.380 nan 0.000 0.435 1133 L N -0.574 120.670 121.223 0.035 0.000 2.509 1133 L HA 0.213 4.540 4.340 -0.021 0.000 0.222 1133 L C 1.846 178.749 176.870 0.055 0.000 1.123 1133 L CA 0.281 55.170 54.840 0.082 0.000 0.856 1133 L CB -0.173 41.985 42.059 0.166 0.000 0.985 1133 L HN 0.145 nan 8.230 nan 0.000 0.456 1134 A N -0.012 122.755 122.820 -0.089 0.000 2.119 1134 A HA -0.118 4.189 4.320 -0.021 0.000 0.217 1134 A C 2.175 179.507 177.584 -0.420 0.000 1.153 1134 A CA 1.032 52.819 52.037 -0.416 0.000 0.692 1134 A CB -0.140 18.640 19.000 -0.368 0.000 0.799 1134 A HN 0.307 nan 8.150 nan 0.000 0.458 1135 K N 0.608 120.924 120.400 -0.141 0.000 2.314 1135 K HA 0.034 4.342 4.320 -0.021 0.000 0.198 1135 K C 1.187 177.816 176.600 0.048 0.000 1.045 1135 K CA 0.635 56.886 56.287 -0.059 0.000 0.988 1135 K CB 0.004 32.500 32.500 -0.007 0.000 0.783 1135 K HN 0.581 nan 8.250 nan 0.000 0.484 1136 S N 0.822 116.608 115.700 0.142 0.000 2.606 1136 S HA 0.061 4.518 4.470 -0.021 0.000 0.257 1136 S C 1.141 175.918 174.600 0.294 0.000 1.327 1136 S CA -0.404 57.969 58.200 0.287 0.000 0.984 1136 S CB 1.363 64.837 63.200 0.455 0.000 0.941 1136 S HN 0.102 nan 8.310 nan 0.000 0.576 1137 R N -0.051 120.653 120.500 0.340 0.000 2.073 1137 R HA 0.005 4.332 4.340 -0.021 0.000 0.229 1137 R C 2.082 178.579 176.300 0.329 0.000 1.120 1137 R CA 1.667 57.935 56.100 0.279 0.000 0.967 1137 R CB -1.174 29.270 30.300 0.240 0.000 0.862 1137 R HN 0.874 nan 8.270 nan 0.000 0.436 1138 W N 0.123 121.563 121.300 0.232 0.000 2.331 1138 W HA -0.289 4.358 4.660 -0.021 0.000 0.291 1138 W C 1.530 178.139 176.519 0.150 0.000 1.214 1138 W CA 1.828 59.289 57.345 0.193 0.000 1.228 1138 W CB -0.669 28.928 29.460 0.228 0.000 1.135 1138 W HN 0.261 nan 8.180 nan 0.000 0.537 1139 Y N 1.293 121.490 120.300 -0.172 0.000 2.153 1139 Y HA -0.170 4.367 4.550 -0.021 0.000 0.289 1139 Y C 2.456 178.243 175.900 -0.189 0.000 1.127 1139 Y CA 2.534 60.416 58.100 -0.362 0.000 1.131 1139 Y CB -0.891 37.436 38.460 -0.220 0.000 0.995 1139 Y HN -0.079 nan 8.280 nan 0.000 0.505 1140 N N -0.212 118.590 118.700 0.170 0.000 2.443 1140 N HA -0.162 4.566 4.740 -0.021 0.000 0.184 1140 N C 1.337 176.852 175.510 0.009 0.000 1.037 1140 N CA 0.835 53.949 53.050 0.107 0.000 0.896 1140 N CB 0.026 38.587 38.487 0.125 0.000 0.959 1140 N HN 0.552 nan 8.380 nan 0.000 0.442 1141 Q N -0.303 119.492 119.800 -0.007 0.000 2.259 1141 Q HA 0.018 4.346 4.340 -0.021 0.000 0.201 1141 Q C 0.883 176.838 176.000 -0.075 0.000 0.938 1141 Q CA 0.916 56.714 55.803 -0.008 0.000 0.872 1141 Q CB 0.304 29.079 28.738 0.062 0.000 0.971 1141 Q HN 0.323 nan 8.270 nan 0.000 0.494 1142 T N -1.812 112.634 114.554 -0.179 0.000 3.410 1142 T HA 0.358 4.696 4.350 -0.021 0.000 0.328 1142 T C -2.538 171.878 174.700 -0.473 0.000 1.567 1142 T CA -1.667 60.290 62.100 -0.239 0.000 1.626 1142 T CB 1.277 70.063 68.868 -0.137 0.000 0.939 1142 T HN -0.139 nan 8.240 nan 0.000 0.656 1143 P HA 0.059 nan 4.420 nan 0.000 0.225 1143 P C 1.259 178.179 177.300 -0.633 0.000 1.156 1143 P CA 0.558 63.156 63.100 -0.836 0.000 0.787 1143 P CB 0.236 31.603 31.700 -0.554 0.000 0.802 1144 N N -0.248 118.227 118.700 -0.374 0.000 2.220 1144 N HA -0.056 4.671 4.740 -0.021 0.000 0.182 1144 N C 1.904 177.262 175.510 -0.254 0.000 1.023 1144 N CA 0.758 53.648 53.050 -0.266 0.000 0.856 1144 N CB -0.491 37.887 38.487 -0.181 0.000 0.997 1144 N HN 0.097 nan 8.380 nan 0.000 0.429 1145 R N 1.096 121.460 120.500 -0.227 0.000 2.073 1145 R HA -0.021 4.307 4.340 -0.021 0.000 0.234 1145 R C 2.052 178.251 176.300 -0.168 0.000 1.134 1145 R CA 1.542 57.563 56.100 -0.131 0.000 0.952 1145 R CB -0.215 30.071 30.300 -0.023 0.000 0.850 1145 R HN 0.153 nan 8.270 nan 0.000 0.433 1146 A N 0.948 123.499 122.820 -0.448 0.000 1.933 1146 A HA -0.163 4.144 4.320 -0.021 0.000 0.218 1146 A C 1.997 179.413 177.584 -0.280 0.000 1.175 1146 A CA 1.532 53.170 52.037 -0.665 0.000 0.628 1146 A CB -0.364 17.809 19.000 -1.377 0.000 0.814 1146 A HN 0.350 nan 8.150 nan 0.000 0.444 1147 K N -0.627 119.602 120.400 -0.285 0.000 2.063 1147 K HA -0.151 4.156 4.320 -0.021 0.000 0.208 1147 K C 2.332 178.901 176.600 -0.052 0.000 1.048 1147 K CA 1.641 57.870 56.287 -0.096 0.000 0.928 1147 K CB -0.168 32.256 32.500 -0.126 0.000 0.713 1147 K HN 0.419 nan 8.250 nan 0.000 0.442 1148 R N 0.061 120.500 120.500 -0.102 0.000 2.090 1148 R HA -0.054 4.274 4.340 -0.021 0.000 0.228 1148 R C 2.256 178.620 176.300 0.108 0.000 1.110 1148 R CA 1.006 57.045 56.100 -0.102 0.000 0.973 1148 R CB -0.170 29.898 30.300 -0.387 0.000 0.869 1148 R HN 0.026 nan 8.270 nan 0.000 0.440 1149 V N 1.292 121.296 119.914 0.149 0.000 2.379 1149 V HA -0.192 3.915 4.120 -0.021 0.000 0.245 1149 V C 2.249 178.405 176.094 0.104 0.000 1.044 1149 V CA 1.493 63.885 62.300 0.153 0.000 1.036 1149 V CB -0.347 31.702 31.823 0.376 0.000 0.664 1149 V HN 0.242 nan 8.190 nan 0.000 0.453 1150 I N 0.125 120.849 120.570 0.256 0.000 2.179 1150 I HA -0.249 3.908 4.170 -0.021 0.000 0.242 1150 I C 2.611 178.845 176.117 0.196 0.000 1.088 1150 I CA 1.880 63.377 61.300 0.327 0.000 1.357 1150 I CB -0.676 37.478 38.000 0.257 0.000 1.051 1150 I HN 0.309 nan 8.210 nan 0.000 0.409 1151 T N 0.154 114.768 114.554 0.100 0.000 2.635 1151 T HA -0.234 4.104 4.350 -0.021 0.000 0.267 1151 T C 1.890 176.580 174.700 -0.017 0.000 1.040 1151 T CA 2.315 64.443 62.100 0.046 0.000 1.156 1151 T CB -0.518 68.365 68.868 0.026 0.000 0.863 1151 T HN 0.379 nan 8.240 nan 0.000 0.430 1152 T N 1.654 116.157 114.554 -0.084 0.000 2.720 1152 T HA -0.084 4.253 4.350 -0.021 0.000 0.268 1152 T C 1.624 176.129 174.700 -0.325 0.000 1.037 1152 T CA 1.230 63.165 62.100 -0.275 0.000 1.144 1152 T CB -0.572 68.055 68.868 -0.403 0.000 0.864 1152 T HN 0.267 nan 8.240 nan 0.000 0.444 1153 F N 1.222 121.093 119.950 -0.131 0.000 2.126 1153 F HA -0.010 4.505 4.527 -0.021 0.000 0.299 1153 F C 2.587 178.259 175.800 -0.213 0.000 1.096 1153 F CA 0.915 58.822 58.000 -0.155 0.000 1.255 1153 F CB -0.577 38.428 39.000 0.008 0.000 0.997 1153 F HN 0.007 nan 8.300 nan 0.000 0.479 1154 R N 0.028 120.590 120.500 0.103 0.000 2.073 1154 R HA -0.148 4.180 4.340 -0.021 0.000 0.234 1154 R C 2.160 178.394 176.300 -0.110 0.000 1.134 1154 R CA 2.144 58.287 56.100 0.072 0.000 0.952 1154 R CB -0.455 29.911 30.300 0.110 0.000 0.850 1154 R HN 0.419 nan 8.270 nan 0.000 0.433 1155 T N -3.991 110.475 114.554 -0.147 0.000 3.057 1155 T HA 0.185 4.522 4.350 -0.021 0.000 0.254 1155 T C 1.315 175.851 174.700 -0.274 0.000 1.094 1155 T CA 0.472 62.472 62.100 -0.166 0.000 1.088 1155 T CB 0.541 69.348 68.868 -0.100 0.000 0.934 1155 T HN 0.429 nan 8.240 nan 0.000 0.497 1156 G N 1.934 110.502 108.800 -0.388 0.000 2.187 1156 G HA2 -0.239 3.709 3.960 -0.021 0.000 0.261 1156 G HA3 -0.239 3.709 3.960 -0.021 0.000 0.261 1156 G C 0.232 174.879 174.900 -0.422 0.000 1.000 1156 G CA 0.790 45.624 45.100 -0.444 0.000 0.718 1156 G HN 1.212 nan 8.290 nan 0.000 0.519 1157 T N -4.621 109.697 114.554 -0.393 0.000 2.907 1157 T HA 0.580 4.917 4.350 -0.021 0.000 0.290 1157 T C 0.294 174.754 174.700 -0.400 0.000 1.066 1157 T CA -0.592 61.305 62.100 -0.338 0.000 1.012 1157 T CB 1.406 70.203 68.868 -0.119 0.000 1.184 1157 T HN 0.278 nan 8.240 nan 0.000 0.522 1158 W N 0.052 121.322 121.300 -0.050 0.000 3.325 1158 W HA 0.297 4.945 4.660 -0.021 0.000 0.370 1158 W C 0.699 177.261 176.519 0.071 0.000 1.169 1158 W CA -0.507 56.824 57.345 -0.025 0.000 1.874 1158 W CB 0.009 29.429 29.460 -0.067 0.000 1.076 1158 W HN 0.696 nan 8.180 nan 0.000 0.684 1159 D N 0.464 120.977 120.400 0.187 0.000 2.269 1159 D HA -0.088 4.539 4.640 -0.021 0.000 0.208 1159 D C 2.200 178.574 176.300 0.123 0.000 0.963 1159 D CA 1.047 55.128 54.000 0.135 0.000 0.864 1159 D CB -0.194 40.645 40.800 0.066 0.000 0.936 1159 D HN 0.143 nan 8.370 nan 0.000 0.505 1160 A N -0.776 122.136 122.820 0.154 0.000 2.168 1160 A HA -0.004 4.304 4.320 -0.021 0.000 0.215 1160 A C 0.426 177.975 177.584 -0.058 0.000 1.152 1160 A CA 0.601 52.661 52.037 0.037 0.000 0.716 1160 A CB -0.223 18.777 19.000 0.000 0.000 0.794 1160 A HN 0.190 nan 8.150 nan 0.000 0.465 1161 Y N 0.000 120.342 120.300 0.070 0.000 2.660 1161 Y HA 0.000 4.537 4.550 -0.021 0.000 0.201 1161 Y CA 0.000 58.141 58.100 0.068 0.000 1.940 1161 Y CB 0.000 38.536 38.460 0.127 0.000 1.050 1161 Y HN 0.000 nan 8.280 nan 0.000 0.758