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 1z8l_1_D DATA FIRST_RESID 56 DATA SEQUENCE HNMKAFLDEL KAENIKKFLY NFTQIPHLAG TEQNFQLAKQ IQSQWKEFGL DATA SEQUENCE DSVELAHYDV LLSYPNKTHP NYISIINEDG NEIFNTSLFE PPPPGYENVS DATA SEQUENCE DIVPPFSAFS PQGMPEGDLV YVNYARTEDF FKLERDMKIN CSGKIVIARY DATA SEQUENCE GKVFRGNKVK NAQLAGAKGV ILYSDPADYF APGVKSYPDG WNLPGGGVQR DATA SEQUENCE GNILNLNGAG DPLTPGYPAN EYAYRRGIAE AVGLPSIPVH PIGYYDAQKL DATA SEQUENCE LEKMGGSAPP DSSWRGSLKV PYNVGPGFTG NFSTQKVKMH IHSTNEVTRI DATA SEQUENCE YNVIGTLRGA VEPDRYVILG GHRDSWVFGG IDPQSGAAVV HEIVRSFGTL DATA SEQUENCE KKEGWRPRRT ILFASWDAEE FGLLGSTEWA EENSRLLQER GVAYINADSS DATA SEQUENCE IEGNYTLRVD CTPLMYSLVH NLTKELKSPD EGFEGKSLYE SWTKKSPSPE DATA SEQUENCE FSGMPRISKL GSGNDFEVFF QRLGIASGRA RYTKNWETNK FSGYPLYHSV DATA SEQUENCE YETYELVEKF YDPMFKYHLT VAQVRGGMVF ELANSIVLPF DCRDYAVVLR DATA SEQUENCE KYADKIYSIS MKHPQEMKTY SVSFDSLFSA VKNFTEIASK FSERLQDFDK DATA SEQUENCE SNPIVLRMMN DQLMFLERAF IDPLGLPDRP FYRHVIYAPS SHNKYAGESF DATA SEQUENCE PGIYDALFDI ESKVDPSKAW GEVKRQIYVA AFTVQAAAET LSEVA 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 56 H HA 0.000 nan 4.556 nan 0.000 0.296 56 H C 0.000 175.325 175.328 -0.006 0.000 0.993 56 H CA 0.000 56.020 56.048 -0.046 0.000 1.023 56 H CB 0.000 29.729 29.762 -0.055 0.000 1.292 57 N N -0.194 118.600 118.700 0.156 0.000 4.919 57 N HA 0.011 4.752 4.740 0.002 0.000 0.180 57 N C 0.741 176.273 175.510 0.035 0.000 1.062 57 N CA 0.650 53.827 53.050 0.212 0.000 1.028 57 N CB -0.072 38.574 38.487 0.266 0.000 1.574 57 N HN 0.121 nan 8.380 nan 0.000 0.679 58 M N 2.774 122.418 119.600 0.074 0.000 2.240 58 M HA -0.292 4.189 4.480 0.002 0.000 0.250 58 M C 1.034 177.152 176.300 -0.302 0.000 1.075 58 M CA 2.081 57.139 55.300 -0.404 0.000 1.072 58 M CB -0.253 32.362 32.600 0.024 0.000 1.305 58 M HN 0.595 nan 8.290 nan 0.000 0.414 59 K N 0.306 120.635 120.400 -0.120 0.000 1.965 59 K HA -0.119 4.202 4.320 0.002 0.000 0.218 59 K C 2.155 178.648 176.600 -0.178 0.000 1.048 59 K CA 1.841 58.057 56.287 -0.118 0.000 0.960 59 K CB -1.601 30.860 32.500 -0.066 0.000 0.732 59 K HN 0.566 nan 8.250 nan 0.000 0.444 60 A N 1.609 124.323 122.820 -0.175 0.000 1.957 60 A HA -0.281 4.040 4.320 0.002 0.000 0.224 60 A C 2.156 179.599 177.584 -0.236 0.000 1.287 60 A CA 2.422 54.321 52.037 -0.229 0.000 0.682 60 A CB -1.107 17.734 19.000 -0.265 0.000 0.833 60 A HN 0.415 nan 8.150 nan 0.000 0.482 61 F N 0.414 120.106 119.950 -0.429 0.000 2.051 61 F HA -0.142 4.386 4.527 0.002 0.000 0.296 61 F C 2.032 177.581 175.800 -0.418 0.000 1.122 61 F CA 1.965 59.662 58.000 -0.504 0.000 1.201 61 F CB -0.615 37.908 39.000 -0.795 0.000 0.978 61 F HN 0.181 nan 8.300 nan 0.000 0.472 62 L N 0.151 121.027 121.223 -0.579 0.000 1.989 62 L HA -0.273 4.068 4.340 0.002 0.000 0.211 62 L C 2.160 178.762 176.870 -0.448 0.000 1.071 62 L CA 2.015 56.514 54.840 -0.569 0.000 0.749 62 L CB -1.120 40.784 42.059 -0.258 0.000 0.890 62 L HN 0.101 nan 8.230 nan 0.000 0.431 63 D N -0.363 119.849 120.400 -0.312 0.000 2.228 63 D HA -0.227 4.414 4.640 0.002 0.000 0.203 63 D C 2.028 178.171 176.300 -0.263 0.000 0.988 63 D CA 0.987 54.843 54.000 -0.240 0.000 0.864 63 D CB -0.038 40.649 40.800 -0.188 0.000 0.928 63 D HN 0.221 nan 8.370 nan 0.000 0.469 64 E N -0.131 119.867 120.200 -0.336 0.000 2.427 64 E HA 0.028 4.379 4.350 0.002 0.000 0.196 64 E C -0.005 176.393 176.600 -0.337 0.000 1.028 64 E CA 0.051 56.266 56.400 -0.310 0.000 0.864 64 E CB -0.024 29.493 29.700 -0.306 0.000 0.813 64 E HN 0.263 nan 8.360 nan 0.000 0.514 65 L N 2.592 123.571 121.223 -0.408 0.000 2.363 65 L HA 0.156 4.497 4.340 0.002 0.000 0.286 65 L C 0.059 176.793 176.870 -0.225 0.000 1.106 65 L CA -0.216 54.417 54.840 -0.345 0.000 0.859 65 L CB 0.280 42.097 42.059 -0.404 0.000 1.223 65 L HN -0.143 nan 8.230 nan 0.000 0.446 66 K N 2.150 122.433 120.400 -0.195 0.000 2.110 66 K HA 0.410 4.731 4.320 0.002 0.000 0.263 66 K C 0.698 177.203 176.600 -0.158 0.000 0.975 66 K CA -0.340 55.845 56.287 -0.169 0.000 0.895 66 K CB 1.957 34.348 32.500 -0.181 0.000 1.060 66 K HN 0.494 nan 8.250 nan 0.000 0.448 67 A N 2.091 124.831 122.820 -0.133 0.000 1.929 67 A HA -0.100 4.221 4.320 0.002 0.000 0.216 67 A C 1.560 178.984 177.584 -0.266 0.000 1.176 67 A CA 0.983 52.947 52.037 -0.121 0.000 0.628 67 A CB -0.166 18.813 19.000 -0.036 0.000 0.816 67 A HN 0.714 nan 8.150 nan 0.000 0.444 68 E N 0.395 120.441 120.200 -0.257 0.000 2.331 68 E HA -0.169 4.182 4.350 0.002 0.000 0.199 68 E C 1.296 177.637 176.600 -0.431 0.000 1.008 68 E CA 1.152 57.361 56.400 -0.318 0.000 0.843 68 E CB -0.308 29.255 29.700 -0.229 0.000 0.761 68 E HN 0.756 nan 8.360 nan 0.000 0.507 69 N N 0.406 118.824 118.700 -0.469 0.000 2.258 69 N HA 0.014 4.755 4.740 0.002 0.000 0.183 69 N C 1.987 176.934 175.510 -0.937 0.000 1.029 69 N CA 0.460 53.040 53.050 -0.783 0.000 0.857 69 N CB -0.039 38.050 38.487 -0.665 0.000 1.008 69 N HN 0.092 nan 8.380 nan 0.000 0.433 70 I N 1.278 121.597 120.570 -0.417 0.000 2.264 70 I HA -0.298 3.873 4.170 0.002 0.000 0.248 70 I C 2.135 178.089 176.117 -0.271 0.000 1.111 70 I CA 1.455 62.716 61.300 -0.065 0.000 1.382 70 I CB 0.006 38.086 38.000 0.133 0.000 1.060 70 I HN 0.139 nan 8.210 nan 0.000 0.418 71 K N 1.393 121.331 120.400 -0.770 0.000 2.001 71 K HA -0.271 4.050 4.320 0.002 0.000 0.208 71 K C 2.353 178.667 176.600 -0.476 0.000 1.048 71 K CA 1.690 57.221 56.287 -1.260 0.000 0.932 71 K CB -0.315 31.236 32.500 -1.582 0.000 0.715 71 K HN 0.283 nan 8.250 nan 0.000 0.437 72 K N 0.263 120.374 120.400 -0.483 0.000 2.020 72 K HA -0.183 4.138 4.320 0.002 0.000 0.212 72 K C 2.055 178.520 176.600 -0.226 0.000 1.050 72 K CA 1.984 58.061 56.287 -0.351 0.000 0.929 72 K CB -0.342 31.867 32.500 -0.486 0.000 0.714 72 K HN 0.218 nan 8.250 nan 0.000 0.443 73 F N 0.890 120.682 119.950 -0.264 0.000 2.069 73 F HA -0.278 4.250 4.527 0.002 0.000 0.298 73 F C 2.462 177.922 175.800 -0.567 0.000 1.113 73 F CA 0.420 58.108 58.000 -0.519 0.000 1.214 73 F CB -0.453 38.307 39.000 -0.399 0.000 0.978 73 F HN 0.108 nan 8.300 nan 0.000 0.474 74 L N -0.189 121.062 121.223 0.047 0.000 2.089 74 L HA -0.303 4.038 4.340 0.002 0.000 0.213 74 L C 2.162 179.167 176.870 0.224 0.000 1.079 74 L CA 1.781 56.770 54.840 0.248 0.000 0.758 74 L CB -1.079 41.264 42.059 0.473 0.000 0.891 74 L HN 0.218 nan 8.230 nan 0.000 0.433 75 Y N 0.013 120.238 120.300 -0.124 0.000 2.220 75 Y HA -0.193 4.357 4.550 0.002 0.000 0.291 75 Y C 2.572 178.352 175.900 -0.200 0.000 1.129 75 Y CA 1.807 59.663 58.100 -0.407 0.000 1.161 75 Y CB -0.558 37.505 38.460 -0.662 0.000 0.997 75 Y HN 0.396 nan 8.280 nan 0.000 0.522 76 N N -0.006 118.506 118.700 -0.314 0.000 2.309 76 N HA -0.180 4.561 4.740 0.002 0.000 0.182 76 N C 1.565 177.050 175.510 -0.040 0.000 1.018 76 N CA 1.292 54.159 53.050 -0.304 0.000 0.876 76 N CB -0.443 37.884 38.487 -0.267 0.000 0.972 76 N HN 0.486 nan 8.380 nan 0.000 0.434 77 F N -0.430 119.510 119.950 -0.016 0.000 2.698 77 F HA 0.080 4.607 4.527 0.002 0.000 0.295 77 F C 2.031 177.950 175.800 0.200 0.000 1.124 77 F CA 0.201 58.242 58.000 0.067 0.000 1.426 77 F CB 0.306 39.330 39.000 0.040 0.000 1.120 77 F HN -0.012 nan 8.300 nan 0.000 0.583 78 T N -1.077 113.654 114.554 0.295 0.000 3.035 78 T HA -0.083 4.268 4.350 0.002 0.000 0.259 78 T C 1.853 176.689 174.700 0.227 0.000 1.078 78 T CA 0.499 62.771 62.100 0.287 0.000 1.132 78 T CB -0.080 68.983 68.868 0.324 0.000 0.900 78 T HN 0.056 nan 8.240 nan 0.000 0.480 79 Q N 0.378 120.216 119.800 0.064 0.000 2.297 79 Q HA 0.033 4.374 4.340 0.002 0.000 0.208 79 Q C 0.461 176.596 176.000 0.225 0.000 0.981 79 Q CA 0.837 56.684 55.803 0.072 0.000 0.876 79 Q CB -0.039 28.614 28.738 -0.142 0.000 0.921 79 Q HN 0.435 nan 8.270 nan 0.000 0.446 80 I N 0.055 120.710 120.570 0.142 0.000 2.689 80 I HA 0.343 4.514 4.170 0.002 0.000 0.299 80 I C -2.527 173.328 176.117 -0.437 0.000 1.059 80 I CA -3.255 58.029 61.300 -0.027 0.000 1.055 80 I CB 1.472 39.409 38.000 -0.106 0.000 1.243 80 I HN -0.330 nan 8.210 nan 0.000 0.425 81 P HA 0.176 nan 4.420 nan 0.000 0.271 81 P C -0.718 176.333 177.300 -0.414 0.000 1.233 81 P CA 0.307 63.127 63.100 -0.467 0.000 0.764 81 P CB -0.011 31.467 31.700 -0.370 0.000 0.825 82 H N 2.239 121.280 119.070 -0.048 0.000 2.474 82 H HA 0.241 4.798 4.556 0.002 0.000 0.250 82 H C -0.048 175.270 175.328 -0.017 0.000 1.307 82 H CA -0.917 55.116 56.048 -0.025 0.000 1.058 82 H CB -0.025 29.718 29.762 -0.031 0.000 1.693 82 H HN 0.265 nan 8.280 nan 0.000 0.552 83 L N 2.024 123.293 121.223 0.076 0.000 2.499 83 L HA 0.223 4.565 4.340 0.002 0.000 0.273 83 L C 0.495 177.454 176.870 0.148 0.000 1.195 83 L CA -0.103 54.798 54.840 0.102 0.000 0.882 83 L CB 0.052 42.227 42.059 0.194 0.000 1.133 83 L HN 0.444 nan 8.230 nan 0.000 0.483 84 A N 4.200 127.112 122.820 0.154 0.000 2.580 84 A HA 0.400 4.721 4.320 0.002 0.000 0.244 84 A C 1.428 179.057 177.584 0.074 0.000 1.045 84 A CA 0.647 52.751 52.037 0.111 0.000 0.761 84 A CB -0.858 18.210 19.000 0.114 0.000 0.962 84 A HN 1.846 nan 8.150 nan 0.000 0.512 85 G N 1.753 110.606 108.800 0.088 0.000 2.241 85 G HA2 -0.199 3.762 3.960 0.002 0.000 0.244 85 G HA3 -0.199 3.762 3.960 0.002 0.000 0.244 85 G C 0.667 175.608 174.900 0.068 0.000 0.998 85 G CA 0.963 46.116 45.100 0.088 0.000 0.621 85 G HN 2.181 nan 8.290 nan 0.000 0.519 86 T N -0.732 113.860 114.554 0.063 0.000 2.926 86 T HA 0.487 4.838 4.350 0.002 0.000 0.307 86 T C 1.170 175.904 174.700 0.055 0.000 1.059 86 T CA 0.644 62.748 62.100 0.007 0.000 1.122 86 T CB 1.253 70.127 68.868 0.010 0.000 0.972 86 T HN 0.410 nan 8.240 nan 0.000 0.545 87 E N 1.305 121.522 120.200 0.028 0.000 2.393 87 E HA -0.210 4.141 4.350 0.002 0.000 0.201 87 E C 1.646 178.291 176.600 0.076 0.000 1.025 87 E CA 1.069 57.511 56.400 0.070 0.000 0.856 87 E CB -0.147 29.566 29.700 0.023 0.000 0.771 87 E HN 0.734 nan 8.360 nan 0.000 0.526 88 Q N -0.566 119.278 119.800 0.072 0.000 2.378 88 Q HA 0.048 4.389 4.340 0.002 0.000 0.229 88 Q C 1.564 177.650 176.000 0.142 0.000 0.882 88 Q CA 0.251 56.106 55.803 0.087 0.000 0.936 88 Q CB 0.132 28.923 28.738 0.089 0.000 1.092 88 Q HN 0.061 nan 8.270 nan 0.000 0.535 89 N N 0.204 118.995 118.700 0.152 0.000 2.309 89 N HA -0.141 4.600 4.740 0.002 0.000 0.182 89 N C 1.071 176.608 175.510 0.045 0.000 1.018 89 N CA 0.749 53.860 53.050 0.101 0.000 0.876 89 N CB -0.045 38.516 38.487 0.123 0.000 0.972 89 N HN 0.181 nan 8.380 nan 0.000 0.434 90 F N 1.349 121.209 119.950 -0.151 0.000 2.206 90 F HA 0.069 4.597 4.527 0.002 0.000 0.298 90 F C 1.987 177.596 175.800 -0.319 0.000 1.090 90 F CA 1.271 59.065 58.000 -0.344 0.000 1.323 90 F CB -0.587 38.171 39.000 -0.404 0.000 1.028 90 F HN 0.145 nan 8.300 nan 0.000 0.492 91 Q N -0.470 119.164 119.800 -0.277 0.000 2.119 91 Q HA -0.174 4.167 4.340 0.002 0.000 0.201 91 Q C 2.122 177.942 176.000 -0.300 0.000 0.972 91 Q CA 1.517 57.099 55.803 -0.368 0.000 0.847 91 Q CB -0.427 28.187 28.738 -0.207 0.000 0.903 91 Q HN 0.390 nan 8.270 nan 0.000 0.433 92 L N 0.491 121.561 121.223 -0.254 0.000 2.156 92 L HA -0.005 4.336 4.340 0.002 0.000 0.208 92 L C 2.029 178.688 176.870 -0.352 0.000 1.095 92 L CA 1.658 56.300 54.840 -0.329 0.000 0.770 92 L CB -0.822 40.912 42.059 -0.542 0.000 0.914 92 L HN 0.084 nan 8.230 nan 0.000 0.439 93 A N -0.145 122.504 122.820 -0.285 0.000 1.865 93 A HA -0.250 4.071 4.320 0.002 0.000 0.217 93 A C 2.314 179.725 177.584 -0.287 0.000 1.191 93 A CA 2.062 53.953 52.037 -0.243 0.000 0.623 93 A CB -0.545 18.410 19.000 -0.074 0.000 0.826 93 A HN 0.481 nan 8.150 nan 0.000 0.444 94 K N -0.723 119.485 120.400 -0.320 0.000 2.113 94 K HA -0.244 4.077 4.320 0.002 0.000 0.208 94 K C 2.417 178.849 176.600 -0.280 0.000 1.047 94 K CA 1.699 57.795 56.287 -0.318 0.000 0.928 94 K CB -0.196 32.041 32.500 -0.439 0.000 0.716 94 K HN 0.698 nan 8.250 nan 0.000 0.446 95 Q N 1.048 120.679 119.800 -0.282 0.000 1.993 95 Q HA -0.157 4.184 4.340 0.002 0.000 0.202 95 Q C 2.126 177.959 176.000 -0.279 0.000 0.984 95 Q CA 1.466 57.130 55.803 -0.232 0.000 0.837 95 Q CB -0.054 28.576 28.738 -0.181 0.000 0.902 95 Q HN 0.312 nan 8.270 nan 0.000 0.423 96 I N 0.709 121.045 120.570 -0.391 0.000 2.335 96 I HA -0.310 3.861 4.170 0.002 0.000 0.251 96 I C 2.676 178.335 176.117 -0.763 0.000 1.129 96 I CA 1.239 62.167 61.300 -0.619 0.000 1.402 96 I CB -0.411 37.079 38.000 -0.850 0.000 1.069 96 I HN 0.446 nan 8.210 nan 0.000 0.424 97 Q N 0.660 120.158 119.800 -0.503 0.000 1.967 97 Q HA -0.254 4.087 4.340 0.002 0.000 0.202 97 Q C 2.393 178.263 176.000 -0.217 0.000 0.985 97 Q CA 2.518 58.127 55.803 -0.323 0.000 0.839 97 Q CB -0.139 28.482 28.738 -0.195 0.000 0.906 97 Q HN 0.373 nan 8.270 nan 0.000 0.423 98 S N -0.173 115.406 115.700 -0.202 0.000 2.359 98 S HA -0.294 4.177 4.470 0.002 0.000 0.222 98 S C 1.967 176.446 174.600 -0.202 0.000 1.038 98 S CA 2.013 60.118 58.200 -0.158 0.000 1.051 98 S CB -0.363 62.750 63.200 -0.145 0.000 0.944 98 S HN 0.505 nan 8.310 nan 0.000 0.433 99 Q N -1.043 118.592 119.800 -0.276 0.000 2.173 99 Q HA -0.180 4.161 4.340 0.002 0.000 0.208 99 Q C 1.909 177.476 176.000 -0.721 0.000 0.989 99 Q CA 2.032 57.554 55.803 -0.469 0.000 0.872 99 Q CB -0.242 28.301 28.738 -0.326 0.000 0.909 99 Q HN 0.693 nan 8.270 nan 0.000 0.420 100 W N 0.803 121.766 121.300 -0.561 0.000 2.388 100 W HA -0.061 4.600 4.660 0.002 0.000 0.294 100 W C 1.878 178.250 176.519 -0.245 0.000 1.212 100 W CA 0.656 57.747 57.345 -0.423 0.000 1.271 100 W CB -0.392 28.941 29.460 -0.212 0.000 1.126 100 W HN 0.136 nan 8.180 nan 0.000 0.535 101 K N 0.113 120.538 120.400 0.042 0.000 2.057 101 K HA -0.218 4.103 4.320 0.002 0.000 0.207 101 K C 1.820 178.427 176.600 0.012 0.000 1.049 101 K CA 1.757 58.066 56.287 0.038 0.000 0.931 101 K CB -0.418 32.090 32.500 0.012 0.000 0.714 101 K HN 0.142 nan 8.250 nan 0.000 0.440 102 E N 0.170 120.324 120.200 -0.077 0.000 2.077 102 E HA -0.162 4.189 4.350 0.002 0.000 0.193 102 E C 1.652 178.314 176.600 0.104 0.000 0.989 102 E CA 0.985 57.363 56.400 -0.036 0.000 0.800 102 E CB 0.036 29.668 29.700 -0.113 0.000 0.746 102 E HN 0.151 nan 8.360 nan 0.000 0.452 103 F N -0.759 119.226 119.950 0.059 0.000 2.269 103 F HA 0.085 4.613 4.527 0.002 0.000 0.301 103 F C 1.990 177.818 175.800 0.046 0.000 1.082 103 F CA 1.367 59.387 58.000 0.033 0.000 1.360 103 F CB -0.196 38.786 39.000 -0.030 0.000 1.041 103 F HN 0.288 nan 8.300 nan 0.000 0.512 104 G N -1.246 107.689 108.800 0.225 0.000 2.935 104 G HA2 -0.112 3.849 3.960 0.002 0.000 0.213 104 G HA3 -0.112 3.849 3.960 0.002 0.000 0.213 104 G C 0.202 175.186 174.900 0.140 0.000 0.984 104 G CA -0.454 44.750 45.100 0.173 0.000 0.790 104 G HN 0.099 nan 8.290 nan 0.000 0.538 105 L N 1.728 123.025 121.223 0.123 0.000 2.543 105 L HA 0.110 4.451 4.340 0.002 0.000 0.285 105 L C 1.260 178.191 176.870 0.101 0.000 1.236 105 L CA 0.311 55.218 54.840 0.112 0.000 0.871 105 L CB 0.357 42.481 42.059 0.109 0.000 1.121 105 L HN 0.172 nan 8.230 nan 0.000 0.501 106 D N 0.816 121.269 120.400 0.089 0.000 2.085 106 D HA -0.031 4.610 4.640 0.002 0.000 0.199 106 D C 0.370 176.713 176.300 0.071 0.000 0.981 106 D CA 1.263 55.305 54.000 0.069 0.000 0.834 106 D CB 0.321 41.151 40.800 0.050 0.000 0.992 106 D HN 0.460 nan 8.370 nan 0.000 0.457 107 S N -0.377 115.370 115.700 0.079 0.000 2.568 107 S HA 0.589 5.060 4.470 0.002 0.000 0.302 107 S C -0.439 174.231 174.600 0.116 0.000 1.082 107 S CA -0.694 57.556 58.200 0.084 0.000 1.009 107 S CB 3.016 66.260 63.200 0.073 0.000 1.069 107 S HN -0.068 nan 8.310 nan 0.000 0.500 108 V N 2.436 122.420 119.914 0.117 0.000 2.719 108 V HA 0.409 4.530 4.120 0.002 0.000 0.289 108 V C -0.798 175.360 176.094 0.107 0.000 1.167 108 V CA -0.585 61.806 62.300 0.151 0.000 0.929 108 V CB 1.611 33.544 31.823 0.183 0.000 1.050 108 V HN 0.932 nan 8.190 nan 0.000 0.448 109 E N 3.666 123.930 120.200 0.107 0.000 2.459 109 E HA 0.674 5.025 4.350 0.002 0.000 0.275 109 E C -1.506 175.152 176.600 0.097 0.000 0.987 109 E CA -1.062 55.395 56.400 0.096 0.000 0.828 109 E CB 2.840 32.606 29.700 0.109 0.000 1.428 109 E HN 0.440 nan 8.360 nan 0.000 0.457 110 L N 1.306 122.608 121.223 0.132 0.000 2.295 110 L HA 0.626 4.967 4.340 0.002 0.000 0.285 110 L C -0.495 176.483 176.870 0.180 0.000 1.035 110 L CA -0.789 54.158 54.840 0.177 0.000 0.806 110 L CB 1.339 43.575 42.059 0.295 0.000 1.214 110 L HN 0.527 nan 8.230 nan 0.000 0.426 111 A N 3.861 126.755 122.820 0.124 0.000 2.271 111 A HA 0.604 4.925 4.320 0.002 0.000 0.317 111 A C -0.656 176.802 177.584 -0.209 0.000 1.245 111 A CA -0.498 51.546 52.037 0.011 0.000 0.857 111 A CB 0.259 19.419 19.000 0.265 0.000 1.175 111 A HN 0.831 nan 8.150 nan 0.000 0.512 112 H N 0.597 119.291 119.070 -0.627 0.000 2.690 112 H HA 0.752 5.309 4.556 0.002 0.000 0.368 112 H C -2.063 172.573 175.328 -1.154 0.000 1.150 112 H CA -0.782 54.786 56.048 -0.801 0.000 1.174 112 H CB 1.212 30.497 29.762 -0.796 0.000 1.684 112 H HN 0.531 nan 8.280 nan 0.000 0.538 113 Y N -0.214 120.031 120.300 -0.091 0.000 2.562 113 Y HA 0.195 4.746 4.550 0.002 0.000 0.345 113 Y C -0.609 175.238 175.900 -0.088 0.000 1.045 113 Y CA -1.126 56.919 58.100 -0.091 0.000 1.028 113 Y CB 1.883 40.302 38.460 -0.068 0.000 1.297 113 Y HN 0.543 nan 8.280 nan 0.000 0.463 114 D N 2.398 122.833 120.400 0.058 0.000 2.380 114 D HA 0.349 4.990 4.640 0.002 0.000 0.230 114 D C -0.767 175.541 176.300 0.013 0.000 1.154 114 D CA 0.112 54.113 54.000 0.002 0.000 0.859 114 D CB 1.568 42.360 40.800 -0.013 0.000 1.045 114 D HN 0.147 nan 8.370 nan 0.000 0.495 115 V N 2.574 122.489 119.914 0.001 0.000 2.667 115 V HA 0.170 4.291 4.120 0.002 0.000 0.308 115 V C 0.077 176.167 176.094 -0.008 0.000 1.048 115 V CA -1.056 61.243 62.300 -0.001 0.000 0.928 115 V CB 2.321 34.149 31.823 0.007 0.000 1.004 115 V HN 0.357 nan 8.190 nan 0.000 0.444 116 L N 6.016 127.257 121.223 0.030 0.000 2.565 116 L HA 0.300 4.641 4.340 0.002 0.000 0.275 116 L C -0.374 176.588 176.870 0.153 0.000 1.137 116 L CA 1.158 56.052 54.840 0.089 0.000 0.915 116 L CB -0.750 41.396 42.059 0.145 0.000 1.232 116 L HN 0.496 nan 8.230 nan 0.000 0.473 117 L N 3.668 124.830 121.223 -0.102 0.000 2.558 117 L HA 0.779 5.120 4.340 0.002 0.000 0.260 117 L C -0.041 176.418 176.870 -0.685 0.000 1.130 117 L CA -0.644 53.894 54.840 -0.503 0.000 1.049 117 L CB 1.800 43.360 42.059 -0.832 0.000 1.758 117 L HN 0.737 nan 8.230 nan 0.000 0.555 118 S N -1.027 114.048 115.700 -1.043 0.000 2.583 118 S HA 0.582 5.053 4.470 0.002 0.000 0.294 118 S C -1.701 172.526 174.600 -0.621 0.000 1.121 118 S CA -0.796 56.987 58.200 -0.694 0.000 0.910 118 S CB 0.756 63.572 63.200 -0.640 0.000 1.102 118 S HN 0.423 nan 8.310 nan 0.000 0.451 119 Y N 0.448 120.667 120.300 -0.134 0.000 2.609 119 Y HA 0.764 5.315 4.550 0.002 0.000 0.342 119 Y C -2.795 172.871 175.900 -0.391 0.000 1.058 119 Y CA -2.369 55.550 58.100 -0.300 0.000 1.055 119 Y CB 1.199 39.568 38.460 -0.151 0.000 1.292 119 Y HN 0.444 nan 8.280 nan 0.000 0.476 120 P HA 0.072 nan 4.420 nan 0.000 0.276 120 P C -0.796 176.470 177.300 -0.057 0.000 1.252 120 P CA -0.592 62.367 63.100 -0.234 0.000 0.802 120 P CB 0.625 32.149 31.700 -0.293 0.000 1.035 121 N N 1.707 120.420 118.700 0.021 0.000 2.406 121 N HA 0.024 4.765 4.740 0.002 0.000 0.251 121 N C 0.777 176.324 175.510 0.061 0.000 1.069 121 N CA 0.037 53.114 53.050 0.044 0.000 0.947 121 N CB 0.296 38.833 38.487 0.085 0.000 1.111 121 N HN 0.237 nan 8.380 nan 0.000 0.497 122 K N 1.535 121.950 120.400 0.025 0.000 2.218 122 K HA -0.119 4.202 4.320 0.002 0.000 0.205 122 K C 1.167 177.809 176.600 0.071 0.000 1.046 122 K CA 1.443 57.754 56.287 0.040 0.000 0.933 122 K CB 0.249 32.753 32.500 0.007 0.000 0.728 122 K HN 0.515 nan 8.250 nan 0.000 0.454 123 T N -0.680 113.909 114.554 0.059 0.000 2.852 123 T HA -0.044 4.307 4.350 0.002 0.000 0.256 123 T C 0.516 175.367 174.700 0.251 0.000 1.038 123 T CA 0.843 62.993 62.100 0.083 0.000 1.141 123 T CB -0.030 68.813 68.868 -0.042 0.000 0.869 123 T HN 0.297 nan 8.240 nan 0.000 0.439 124 H N 1.490 120.616 119.070 0.092 0.000 2.410 124 H HA 0.272 4.829 4.556 0.002 0.000 0.232 124 H C -2.549 172.949 175.328 0.283 0.000 1.535 124 H CA -2.357 53.791 56.048 0.166 0.000 1.310 124 H CB 0.486 30.281 29.762 0.055 0.000 1.518 124 H HN 0.224 nan 8.280 nan 0.000 0.545 125 P HA -0.155 nan 4.420 nan 0.000 0.267 125 P C -0.176 177.243 177.300 0.199 0.000 1.195 125 P CA 0.420 63.662 63.100 0.237 0.000 0.773 125 P CB 0.679 32.508 31.700 0.216 0.000 0.837 126 N N 1.805 120.572 118.700 0.111 0.000 2.508 126 N HA 0.447 5.188 4.740 0.002 0.000 0.285 126 N C -0.435 175.015 175.510 -0.100 0.000 1.144 126 N CA 0.049 53.048 53.050 -0.085 0.000 0.978 126 N CB 0.938 39.452 38.487 0.044 0.000 1.180 126 N HN 0.517 nan 8.380 nan 0.000 0.484 127 Y N -2.105 117.966 120.300 -0.383 0.000 2.851 127 Y HA 0.539 5.090 4.550 0.002 0.000 0.359 127 Y C -1.814 173.856 175.900 -0.384 0.000 1.231 127 Y CA -1.149 56.671 58.100 -0.466 0.000 1.106 127 Y CB 0.492 38.744 38.460 -0.347 0.000 1.409 127 Y HN 0.337 nan 8.280 nan 0.000 0.454 128 I N 1.780 122.309 120.570 -0.068 0.000 3.133 128 I HA 0.880 5.051 4.170 0.002 0.000 0.311 128 I C -0.314 175.815 176.117 0.020 0.000 1.072 128 I CA -0.706 60.581 61.300 -0.021 0.000 1.015 128 I CB 2.307 40.289 38.000 -0.031 0.000 1.233 128 I HN 0.952 nan 8.210 nan 0.000 0.473 129 S N 1.279 116.997 115.700 0.030 0.000 2.669 129 S HA 0.619 5.090 4.470 0.002 0.000 0.266 129 S C -1.367 173.300 174.600 0.112 0.000 1.149 129 S CA -0.951 57.225 58.200 -0.040 0.000 0.842 129 S CB 1.179 64.377 63.200 -0.002 0.000 1.160 129 S HN 0.431 nan 8.310 nan 0.000 0.487 130 I N 1.335 121.999 120.570 0.157 0.000 2.465 130 I HA 0.538 4.709 4.170 0.002 0.000 0.291 130 I C -0.977 175.254 176.117 0.191 0.000 1.014 130 I CA -0.985 60.462 61.300 0.245 0.000 1.093 130 I CB 1.615 39.849 38.000 0.391 0.000 1.267 130 I HN 0.517 nan 8.210 nan 0.000 0.431 131 I N 4.970 125.633 120.570 0.156 0.000 2.797 131 I HA 0.531 4.702 4.170 0.002 0.000 0.307 131 I C -0.187 175.992 176.117 0.104 0.000 1.033 131 I CA -0.469 60.901 61.300 0.116 0.000 1.071 131 I CB 1.666 39.717 38.000 0.084 0.000 1.255 131 I HN 0.762 nan 8.210 nan 0.000 0.445 132 N N 1.961 120.709 118.700 0.080 0.000 3.664 132 N HA 0.126 4.867 4.740 0.002 0.000 0.334 132 N C -0.545 174.988 175.510 0.038 0.000 1.536 132 N CA -0.578 52.510 53.050 0.063 0.000 0.649 132 N CB 0.433 38.962 38.487 0.069 0.000 3.017 132 N HN 0.367 nan 8.380 nan 0.000 0.574 133 E N 1.237 121.454 120.200 0.027 0.000 2.214 133 E HA 0.055 4.406 4.350 0.002 0.000 0.291 133 E C -0.741 175.871 176.600 0.020 0.000 1.137 133 E CA 0.258 56.668 56.400 0.018 0.000 1.175 133 E CB -0.810 28.895 29.700 0.009 0.000 1.071 133 E HN 0.331 nan 8.360 nan 0.000 0.467 134 D N -0.387 120.028 120.400 0.024 0.000 2.946 134 D HA -0.132 4.509 4.640 0.002 0.000 0.202 134 D C 0.503 176.823 176.300 0.032 0.000 1.068 134 D CA 1.401 55.417 54.000 0.026 0.000 1.011 134 D CB -1.178 39.634 40.800 0.019 0.000 1.105 134 D HN 0.539 nan 8.370 nan 0.000 0.425 135 G N 0.333 109.155 108.800 0.037 0.000 2.339 135 G HA2 0.397 4.358 3.960 0.002 0.000 0.287 135 G HA3 0.397 4.358 3.960 0.002 0.000 0.287 135 G C 0.947 175.883 174.900 0.060 0.000 1.163 135 G CA -0.275 44.850 45.100 0.043 0.000 0.872 135 G HN 0.039 nan 8.290 nan 0.000 0.464 136 N N 1.711 120.447 118.700 0.060 0.000 2.517 136 N HA -0.084 4.657 4.740 0.002 0.000 0.202 136 N C 2.010 177.559 175.510 0.065 0.000 1.042 136 N CA 0.915 54.012 53.050 0.078 0.000 0.952 136 N CB -0.334 38.205 38.487 0.086 0.000 1.211 136 N HN 0.817 nan 8.380 nan 0.000 0.458 137 E N 1.703 121.922 120.200 0.033 0.000 2.355 137 E HA -0.198 4.153 4.350 0.002 0.000 0.209 137 E C 0.162 176.779 176.600 0.029 0.000 1.050 137 E CA 0.705 57.105 56.400 0.000 0.000 0.843 137 E CB -0.496 29.202 29.700 -0.002 0.000 0.742 137 E HN 0.215 nan 8.360 nan 0.000 0.489 138 I N 2.606 123.225 120.570 0.081 0.000 3.209 138 I HA -0.140 4.031 4.170 0.002 0.000 0.288 138 I C 0.098 176.348 176.117 0.222 0.000 1.182 138 I CA 0.920 62.309 61.300 0.149 0.000 1.472 138 I CB -2.568 35.541 38.000 0.181 0.000 1.515 138 I HN 0.206 nan 8.210 nan 0.000 0.646 139 F N 4.843 124.797 119.950 0.006 0.000 2.160 139 F HA -0.271 4.257 4.527 0.002 0.000 0.416 139 F C -0.351 175.424 175.800 -0.042 0.000 1.174 139 F CA 0.014 58.003 58.000 -0.018 0.000 1.373 139 F CB -0.686 38.314 39.000 -0.000 0.000 2.115 139 F HN 0.587 nan 8.300 nan 0.000 0.747 140 N N 4.731 123.126 118.700 -0.508 0.000 2.456 140 N HA 0.361 5.102 4.740 0.002 0.000 0.288 140 N C 0.328 175.362 175.510 -0.794 0.000 1.059 140 N CA -0.026 52.621 53.050 -0.673 0.000 0.946 140 N CB 1.522 39.632 38.487 -0.628 0.000 1.150 140 N HN 0.579 nan 8.380 nan 0.000 0.479 141 T N 0.634 114.768 114.554 -0.700 0.000 2.680 141 T HA 0.017 4.368 4.350 0.002 0.000 0.314 141 T C 0.801 175.352 174.700 -0.249 0.000 1.045 141 T CA -0.187 61.659 62.100 -0.424 0.000 1.025 141 T CB 0.145 68.888 68.868 -0.208 0.000 1.000 141 T HN 0.596 nan 8.240 nan 0.000 0.535 142 S N 0.803 116.425 115.700 -0.130 0.000 2.549 142 S HA 0.186 4.657 4.470 0.002 0.000 0.279 142 S C 0.838 175.344 174.600 -0.156 0.000 1.321 142 S CA -0.693 57.400 58.200 -0.179 0.000 1.054 142 S CB 0.039 63.162 63.200 -0.128 0.000 0.899 142 S HN 0.558 nan 8.310 nan 0.000 0.497 143 L N 2.167 123.222 121.223 -0.279 0.000 2.628 143 L HA 0.380 4.721 4.340 0.002 0.000 0.229 143 L C -0.180 176.744 176.870 0.090 0.000 1.137 143 L CA -0.199 54.593 54.840 -0.080 0.000 0.909 143 L CB -0.997 41.033 42.059 -0.048 0.000 1.137 143 L HN 0.837 nan 8.230 nan 0.000 0.470 144 F N -3.159 116.846 119.950 0.091 0.000 3.394 144 F HA 0.435 4.963 4.527 0.002 0.000 0.329 144 F C -1.262 174.590 175.800 0.086 0.000 1.063 144 F CA -1.737 56.316 58.000 0.088 0.000 0.832 144 F CB 0.757 39.801 39.000 0.073 0.000 1.530 144 F HN -0.296 nan 8.300 nan 0.000 0.459 145 E N 1.383 121.915 120.200 0.555 0.000 2.166 145 E HA 0.448 4.799 4.350 0.002 0.000 0.275 145 E C -2.697 174.220 176.600 0.528 0.000 0.941 145 E CA -2.203 54.433 56.400 0.393 0.000 0.784 145 E CB 1.698 31.527 29.700 0.215 0.000 1.115 145 E HN 0.253 nan 8.360 nan 0.000 0.399 146 P HA -0.023 nan 4.420 nan 0.000 0.256 146 P C -2.377 175.095 177.300 0.287 0.000 1.189 146 P CA -0.646 62.728 63.100 0.457 0.000 0.808 146 P CB -0.343 31.591 31.700 0.390 0.000 0.793 147 P HA -0.052 nan 4.420 nan 0.000 0.259 147 P C -2.302 175.088 177.300 0.149 0.000 1.163 147 P CA -0.690 62.449 63.100 0.065 0.000 0.760 147 P CB -0.437 31.285 31.700 0.037 0.000 0.762 148 P HA 0.097 nan 4.420 nan 0.000 0.271 148 P C -2.114 175.428 177.300 0.404 0.000 1.216 148 P CA -1.070 62.214 63.100 0.307 0.000 0.776 148 P CB -0.482 31.279 31.700 0.102 0.000 0.881 149 P HA -0.330 nan 4.420 nan 0.000 0.253 149 P C 1.568 178.996 177.300 0.213 0.000 0.872 149 P CA 2.439 65.710 63.100 0.284 0.000 1.093 149 P CB -0.979 30.893 31.700 0.287 0.000 0.776 150 G N -1.903 106.961 108.800 0.106 0.000 2.657 150 G HA2 -0.270 3.691 3.960 0.002 0.000 0.224 150 G HA3 -0.270 3.691 3.960 0.002 0.000 0.224 150 G C 0.391 175.107 174.900 -0.307 0.000 1.086 150 G CA 1.120 46.123 45.100 -0.161 0.000 0.730 150 G HN 0.451 nan 8.290 nan 0.000 0.602 151 Y N 1.371 121.676 120.300 0.009 0.000 2.960 151 Y HA 0.257 4.808 4.550 0.002 0.000 0.393 151 Y C 1.690 177.614 175.900 0.039 0.000 1.118 151 Y CA -0.678 57.421 58.100 -0.001 0.000 1.850 151 Y CB -0.095 38.322 38.460 -0.071 0.000 1.827 151 Y HN 0.137 nan 8.280 nan 0.000 0.463 152 E N 0.689 120.943 120.200 0.090 0.000 1.999 152 E HA -0.168 4.183 4.350 0.002 0.000 0.194 152 E C 0.551 177.178 176.600 0.045 0.000 0.995 152 E CA 0.686 57.126 56.400 0.067 0.000 0.825 152 E CB -0.295 29.429 29.700 0.040 0.000 0.777 152 E HN 0.386 nan 8.360 nan 0.000 0.459 153 N N 1.288 120.005 118.700 0.028 0.000 2.918 153 N HA 0.142 4.883 4.740 0.002 0.000 0.247 153 N C -1.382 174.151 175.510 0.038 0.000 1.117 153 N CA 0.037 53.098 53.050 0.019 0.000 1.005 153 N CB 0.416 38.906 38.487 0.006 0.000 1.297 153 N HN -0.186 nan 8.380 nan 0.000 0.513 154 V N 1.796 121.751 119.914 0.069 0.000 2.419 154 V HA 0.232 4.353 4.120 0.002 0.000 0.287 154 V C 0.367 176.502 176.094 0.067 0.000 1.017 154 V CA -1.089 61.277 62.300 0.110 0.000 0.844 154 V CB 0.883 32.865 31.823 0.266 0.000 1.011 154 V HN 0.517 nan 8.190 nan 0.000 0.429 155 S N 2.418 118.138 115.700 0.034 0.000 2.572 155 S HA 0.389 4.860 4.470 0.002 0.000 0.279 155 S C 0.400 174.994 174.600 -0.009 0.000 1.341 155 S CA 0.173 58.376 58.200 0.004 0.000 1.043 155 S CB 0.768 63.967 63.200 -0.003 0.000 0.887 155 S HN 0.895 nan 8.310 nan 0.000 0.516 156 D N -1.304 119.080 120.400 -0.028 0.000 2.661 156 D HA -0.127 4.514 4.640 0.002 0.000 0.183 156 D C -0.326 175.936 176.300 -0.064 0.000 0.935 156 D CA 0.510 54.483 54.000 -0.046 0.000 1.004 156 D CB -0.957 39.810 40.800 -0.056 0.000 1.053 156 D HN 0.507 nan 8.370 nan 0.000 0.459 157 I N 2.537 123.061 120.570 -0.077 0.000 2.752 157 I HA -0.051 4.120 4.170 0.002 0.000 0.286 157 I C 0.940 177.044 176.117 -0.021 0.000 1.180 157 I CA 0.560 61.792 61.300 -0.113 0.000 1.404 157 I CB 0.191 38.133 38.000 -0.097 0.000 1.389 157 I HN -0.215 nan 8.210 nan 0.000 0.549 158 V N 9.991 129.925 119.914 0.033 0.000 2.432 158 V HA 0.180 4.301 4.120 0.002 0.000 0.271 158 V C -1.880 174.337 176.094 0.205 0.000 1.046 158 V CA -1.627 60.763 62.300 0.150 0.000 0.945 158 V CB 0.830 32.825 31.823 0.285 0.000 0.992 158 V HN 0.622 nan 8.190 nan 0.000 0.471 159 P HA 0.081 nan 4.420 nan 0.000 0.260 159 P C -2.477 175.001 177.300 0.297 0.000 1.172 159 P CA -0.569 62.681 63.100 0.248 0.000 0.760 159 P CB -0.263 31.584 31.700 0.245 0.000 0.773 160 P HA -0.035 nan 4.420 nan 0.000 0.263 160 P C -0.790 176.547 177.300 0.062 0.000 1.162 160 P CA 0.968 64.092 63.100 0.039 0.000 0.758 160 P CB -0.135 31.572 31.700 0.011 0.000 0.773 161 F N -0.509 119.271 119.950 -0.284 0.000 2.669 161 F HA 0.423 4.951 4.527 0.002 0.000 0.315 161 F C -1.134 174.511 175.800 -0.259 0.000 1.109 161 F CA -0.903 56.913 58.000 -0.308 0.000 1.028 161 F CB 0.548 39.507 39.000 -0.069 0.000 1.287 161 F HN -0.031 nan 8.300 nan 0.000 0.452 162 S N 2.795 118.410 115.700 -0.141 0.000 2.481 162 S HA 0.654 5.125 4.470 0.002 0.000 0.276 162 S C 0.278 174.937 174.600 0.098 0.000 1.247 162 S CA -0.078 58.055 58.200 -0.113 0.000 1.053 162 S CB 0.601 63.819 63.200 0.031 0.000 0.925 162 S HN 0.969 nan 8.310 nan 0.000 0.491 163 A N 2.931 125.729 122.820 -0.037 0.000 2.462 163 A HA 0.567 4.888 4.320 0.002 0.000 0.243 163 A C 0.295 178.117 177.584 0.397 0.000 1.076 163 A CA -0.152 52.028 52.037 0.238 0.000 0.773 163 A CB -0.702 18.391 19.000 0.154 0.000 1.010 163 A HN 0.993 nan 8.150 nan 0.000 0.493 164 F N 0.289 120.415 119.950 0.293 0.000 2.988 164 F HA -0.194 4.334 4.527 0.002 0.000 0.287 164 F C 1.097 176.987 175.800 0.149 0.000 0.781 164 F CA 0.972 59.084 58.000 0.187 0.000 1.221 164 F CB -1.828 37.260 39.000 0.147 0.000 1.392 164 F HN 0.587 nan 8.300 nan 0.000 0.425 165 S N 0.821 116.684 115.700 0.272 0.000 2.564 165 S HA 0.485 4.956 4.470 0.002 0.000 0.278 165 S C -1.856 172.840 174.600 0.160 0.000 1.333 165 S CA -1.045 57.279 58.200 0.207 0.000 1.048 165 S CB 0.932 64.249 63.200 0.195 0.000 0.900 165 S HN -0.071 nan 8.310 nan 0.000 0.505 166 P HA 0.219 nan 4.420 nan 0.000 0.274 166 P C -0.634 176.716 177.300 0.083 0.000 1.231 166 P CA -0.426 62.735 63.100 0.101 0.000 0.790 166 P CB 0.409 32.161 31.700 0.086 0.000 0.951 167 Q N 0.462 120.308 119.800 0.076 0.000 2.492 167 Q HA 0.541 4.882 4.340 0.002 0.000 0.238 167 Q C 0.349 176.381 176.000 0.053 0.000 1.045 167 Q CA 0.182 56.031 55.803 0.077 0.000 0.934 167 Q CB 0.303 29.098 28.738 0.096 0.000 1.276 167 Q HN 0.732 nan 8.270 nan 0.000 0.521 168 G N 0.192 109.018 108.800 0.043 0.000 2.337 168 G HA2 0.203 4.164 3.960 0.002 0.000 0.310 168 G HA3 0.203 4.164 3.960 0.002 0.000 0.310 168 G C -1.224 173.634 174.900 -0.071 0.000 1.534 168 G CA -0.986 44.116 45.100 0.003 0.000 0.982 168 G HN 0.411 nan 8.290 nan 0.000 0.672 169 M N 2.624 122.164 119.600 -0.099 0.000 2.353 169 M HA 0.256 4.737 4.480 0.002 0.000 0.218 169 M C -2.554 173.647 176.300 -0.165 0.000 1.044 169 M CA -1.234 53.929 55.300 -0.228 0.000 0.615 169 M CB 1.963 34.389 32.600 -0.289 0.000 1.531 169 M HN 0.409 nan 8.290 nan 0.000 0.378 170 P HA 0.265 nan 4.420 nan 0.000 0.279 170 P C -1.086 176.180 177.300 -0.058 0.000 1.239 170 P CA 0.006 63.069 63.100 -0.061 0.000 0.789 170 P CB 1.194 32.877 31.700 -0.029 0.000 0.933 171 E N 0.555 120.732 120.200 -0.038 0.000 2.199 171 E HA 0.703 5.054 4.350 0.002 0.000 0.269 171 E C -0.107 176.480 176.600 -0.021 0.000 0.899 171 E CA -0.813 55.571 56.400 -0.026 0.000 0.772 171 E CB 1.936 31.623 29.700 -0.023 0.000 1.155 171 E HN 0.732 nan 8.360 nan 0.000 0.408 172 G N 2.096 110.880 108.800 -0.028 0.000 2.325 172 G HA2 0.070 4.032 3.960 0.002 0.000 0.297 172 G HA3 0.070 4.032 3.960 0.002 0.000 0.297 172 G C -1.436 173.420 174.900 -0.072 0.000 1.448 172 G CA -0.909 44.169 45.100 -0.037 0.000 0.838 172 G HN 0.403 nan 8.290 nan 0.000 0.579 173 D N -0.613 119.738 120.400 -0.081 0.000 2.371 173 D HA 0.505 5.146 4.640 0.002 0.000 0.242 173 D C 0.048 176.328 176.300 -0.034 0.000 1.218 173 D CA 0.205 54.128 54.000 -0.129 0.000 0.945 173 D CB 1.421 42.167 40.800 -0.090 0.000 1.137 173 D HN 0.138 nan 8.370 nan 0.000 0.464 174 L N -0.182 121.042 121.223 0.001 0.000 2.332 174 L HA 0.519 4.860 4.340 0.002 0.000 0.269 174 L C -0.120 176.846 176.870 0.160 0.000 1.016 174 L CA -0.900 54.010 54.840 0.116 0.000 0.809 174 L CB 1.541 43.716 42.059 0.193 0.000 1.280 174 L HN 0.077 nan 8.230 nan 0.000 0.447 175 V N 0.755 120.788 119.914 0.198 0.000 2.555 175 V HA 0.200 4.321 4.120 0.002 0.000 0.283 175 V C -0.911 175.334 176.094 0.253 0.000 1.020 175 V CA -0.751 61.687 62.300 0.230 0.000 0.883 175 V CB 0.913 32.873 31.823 0.228 0.000 1.030 175 V HN 0.579 nan 8.190 nan 0.000 0.448 176 Y N 5.606 126.013 120.300 0.179 0.000 2.683 176 Y HA 0.445 4.996 4.550 0.002 0.000 0.340 176 Y C -0.273 175.710 175.900 0.139 0.000 1.245 176 Y CA 0.231 58.428 58.100 0.161 0.000 1.485 176 Y CB 0.909 39.487 38.460 0.198 0.000 1.328 176 Y HN 0.382 nan 8.280 nan 0.000 0.603 177 V N 6.488 125.770 119.914 -1.052 0.000 2.655 177 V HA 0.137 4.258 4.120 0.002 0.000 0.301 177 V C -0.422 174.721 176.094 -1.584 0.000 1.082 177 V CA -1.594 59.973 62.300 -1.221 0.000 0.899 177 V CB 1.514 32.842 31.823 -0.824 0.000 1.014 177 V HN 0.908 nan 8.190 nan 0.000 0.429 178 N N 3.017 120.384 118.700 -2.221 0.000 2.292 178 N HA -0.018 4.723 4.740 0.002 0.000 0.258 178 N C -0.133 174.874 175.510 -0.839 0.000 1.261 178 N CA -0.009 51.949 53.050 -1.819 0.000 0.845 178 N CB 0.126 36.839 38.487 -2.957 0.000 1.064 178 N HN 0.722 nan 8.380 nan 0.000 0.471 179 Y N 0.919 120.911 120.300 -0.512 0.000 2.889 179 Y HA -0.335 4.216 4.550 0.002 0.000 0.223 179 Y C 1.142 176.982 175.900 -0.100 0.000 1.067 179 Y CA 0.563 58.542 58.100 -0.202 0.000 0.999 179 Y CB -2.537 35.892 38.460 -0.052 0.000 1.106 179 Y HN 0.711 nan 8.280 nan 0.000 0.548 180 A N -0.969 121.768 122.820 -0.138 0.000 6.890 180 A HA -0.309 4.012 4.320 0.002 0.000 0.242 180 A C 0.620 178.152 177.584 -0.087 0.000 2.184 180 A CA 0.629 52.558 52.037 -0.180 0.000 0.705 180 A CB -0.673 18.327 19.000 -0.000 0.000 0.983 180 A HN 0.713 nan 8.150 nan 0.000 0.384 181 R N 0.144 120.574 120.500 -0.115 0.000 2.637 181 R HA 0.182 4.523 4.340 0.002 0.000 0.331 181 R C 0.764 177.080 176.300 0.027 0.000 1.166 181 R CA 0.920 57.068 56.100 0.079 0.000 0.993 181 R CB -0.731 29.880 30.300 0.517 0.000 1.012 181 R HN 0.638 nan 8.270 nan 0.000 0.461 182 T N 4.242 118.673 114.554 -0.204 0.000 3.284 182 T HA -0.008 4.343 4.350 0.002 0.000 0.252 182 T C 0.333 174.911 174.700 -0.204 0.000 1.144 182 T CA 0.222 62.130 62.100 -0.320 0.000 1.021 182 T CB -0.101 68.257 68.868 -0.850 0.000 0.984 182 T HN 0.680 nan 8.240 nan 0.000 0.545 183 E N -0.230 119.935 120.200 -0.058 0.000 3.881 183 E HA -0.172 4.179 4.350 0.002 0.000 0.165 183 E C 1.062 177.685 176.600 0.038 0.000 1.025 183 E CA 1.602 58.040 56.400 0.064 0.000 2.665 183 E CB -1.559 28.204 29.700 0.105 0.000 1.584 183 E HN 0.436 nan 8.360 nan 0.000 0.579 184 D N 1.202 121.541 120.400 -0.103 0.000 2.205 184 D HA -0.190 4.451 4.640 0.002 0.000 0.190 184 D C 2.137 178.541 176.300 0.173 0.000 1.002 184 D CA 2.134 56.111 54.000 -0.038 0.000 0.848 184 D CB -0.996 39.691 40.800 -0.189 0.000 0.975 184 D HN 0.319 nan 8.370 nan 0.000 0.449 185 F N -0.101 119.919 119.950 0.117 0.000 2.135 185 F HA -0.247 4.281 4.527 0.002 0.000 0.300 185 F C 2.572 178.472 175.800 0.167 0.000 1.074 185 F CA 0.663 58.710 58.000 0.078 0.000 1.262 185 F CB -0.480 38.326 39.000 -0.323 0.000 1.013 185 F HN -0.050 nan 8.300 nan 0.000 0.489 186 F N -0.106 120.007 119.950 0.273 0.000 2.619 186 F HA 0.022 4.550 4.527 0.002 0.000 0.293 186 F C 1.979 177.879 175.800 0.167 0.000 1.119 186 F CA 0.056 58.176 58.000 0.200 0.000 1.445 186 F CB 0.077 39.157 39.000 0.133 0.000 1.119 186 F HN -0.260 nan 8.300 nan 0.000 0.573 187 K N 0.909 121.511 120.400 0.337 0.000 2.665 187 K HA 0.006 4.327 4.320 0.002 0.000 0.214 187 K C 0.371 177.096 176.600 0.208 0.000 1.032 187 K CA 0.245 56.657 56.287 0.208 0.000 1.198 187 K CB -0.068 32.513 32.500 0.135 0.000 0.941 187 K HN 0.254 nan 8.250 nan 0.000 0.491 188 L N 0.401 121.793 121.223 0.282 0.000 3.519 188 L HA 0.243 4.584 4.340 0.002 0.000 0.323 188 L C -0.105 176.899 176.870 0.223 0.000 1.289 188 L CA 0.187 55.178 54.840 0.251 0.000 1.039 188 L CB 0.904 43.177 42.059 0.356 0.000 1.438 188 L HN -0.001 nan 8.230 nan 0.000 0.619 189 E N 0.088 120.431 120.200 0.239 0.000 2.476 189 E HA 0.148 4.499 4.350 0.002 0.000 0.196 189 E C 1.435 178.111 176.600 0.127 0.000 1.029 189 E CA 0.032 56.555 56.400 0.205 0.000 0.896 189 E CB 0.331 30.201 29.700 0.284 0.000 1.012 189 E HN 0.602 nan 8.360 nan 0.000 0.475 190 R N -0.391 120.173 120.500 0.107 0.000 2.237 190 R HA 0.127 4.468 4.340 0.002 0.000 0.195 190 R C 0.271 176.603 176.300 0.053 0.000 0.956 190 R CA 0.325 56.468 56.100 0.071 0.000 1.029 190 R CB -0.043 30.295 30.300 0.064 0.000 0.972 190 R HN -0.189 nan 8.270 nan 0.000 0.493 191 D N 1.977 122.410 120.400 0.055 0.000 2.332 191 D HA 0.040 4.681 4.640 0.002 0.000 0.244 191 D C 0.523 176.832 176.300 0.015 0.000 1.136 191 D CA 0.644 54.662 54.000 0.030 0.000 0.884 191 D CB 0.335 41.149 40.800 0.024 0.000 0.906 191 D HN 0.470 nan 8.370 nan 0.000 0.520 192 M N -2.658 116.958 119.600 0.028 0.000 5.838 192 M HA 0.123 4.604 4.480 0.002 0.000 0.687 192 M C -1.082 175.240 176.300 0.037 0.000 2.467 192 M CA -0.672 54.641 55.300 0.021 0.000 0.221 192 M CB -0.283 32.319 32.600 0.004 0.000 1.448 192 M HN -0.355 nan 8.290 nan 0.000 0.731 193 K N 2.142 122.565 120.400 0.038 0.000 5.128 193 K HA -0.115 4.206 4.320 0.002 0.000 0.371 193 K C -0.953 175.678 176.600 0.052 0.000 0.786 193 K CA 0.752 57.064 56.287 0.040 0.000 0.982 193 K CB -0.536 31.983 32.500 0.031 0.000 1.986 193 K HN 0.545 nan 8.250 nan 0.000 0.340 194 I N 2.740 123.349 120.570 0.065 0.000 2.540 194 I HA 0.086 4.257 4.170 0.002 0.000 0.280 194 I C -0.261 175.898 176.117 0.071 0.000 1.083 194 I CA -0.440 60.908 61.300 0.081 0.000 1.080 194 I CB 1.555 39.627 38.000 0.121 0.000 1.205 194 I HN 0.350 nan 8.210 nan 0.000 0.459 195 N N 4.716 123.446 118.700 0.050 0.000 2.767 195 N HA 0.124 4.865 4.740 0.002 0.000 0.238 195 N C 1.077 176.606 175.510 0.031 0.000 1.083 195 N CA -0.128 52.939 53.050 0.029 0.000 0.964 195 N CB 0.925 39.423 38.487 0.019 0.000 1.252 195 N HN 0.585 nan 8.380 nan 0.000 0.512 196 C N 0.162 119.482 119.300 0.033 0.000 2.399 196 C HA -0.092 4.369 4.460 0.002 0.000 0.296 196 C C 1.742 176.743 174.990 0.020 0.000 1.415 196 C CA 0.218 59.264 59.018 0.047 0.000 1.798 196 C CB -1.351 26.409 27.740 0.034 0.000 1.802 196 C HN 0.580 nan 8.230 nan 0.000 0.549 197 S N 0.189 115.888 115.700 -0.002 0.000 2.673 197 S HA 0.328 4.799 4.470 0.002 0.000 0.308 197 S C 1.238 175.844 174.600 0.009 0.000 1.246 197 S CA 1.146 59.344 58.200 -0.004 0.000 1.077 197 S CB -0.306 62.890 63.200 -0.006 0.000 0.814 197 S HN 1.286 nan 8.310 nan 0.000 0.503 198 G N 4.132 112.938 108.800 0.010 0.000 2.198 198 G HA2 -0.217 3.744 3.960 0.002 0.000 0.257 198 G HA3 -0.217 3.744 3.960 0.002 0.000 0.257 198 G C -0.324 174.587 174.900 0.018 0.000 1.042 198 G CA 0.356 45.463 45.100 0.012 0.000 0.791 198 G HN 0.738 nan 8.290 nan 0.000 0.502 199 K N -0.077 120.342 120.400 0.032 0.000 2.482 199 K HA 0.478 4.799 4.320 0.002 0.000 0.251 199 K C 0.165 176.807 176.600 0.070 0.000 0.936 199 K CA -1.204 55.111 56.287 0.046 0.000 0.791 199 K CB 1.772 34.308 32.500 0.060 0.000 1.213 199 K HN 0.030 nan 8.250 nan 0.000 0.428 200 I N 3.657 124.267 120.570 0.066 0.000 2.483 200 I HA 0.027 4.198 4.170 0.002 0.000 0.291 200 I C 0.233 176.428 176.117 0.130 0.000 1.112 200 I CA -0.102 61.252 61.300 0.089 0.000 1.350 200 I CB -0.153 37.891 38.000 0.074 0.000 1.419 200 I HN 0.283 nan 8.210 nan 0.000 0.523 201 V N 8.235 128.247 119.914 0.163 0.000 2.498 201 V HA 0.310 4.431 4.120 0.002 0.000 0.279 201 V C 0.312 176.511 176.094 0.175 0.000 1.048 201 V CA -0.539 61.883 62.300 0.204 0.000 0.967 201 V CB 2.047 34.062 31.823 0.320 0.000 0.988 201 V HN 0.581 nan 8.190 nan 0.000 0.473 202 I N 4.849 125.525 120.570 0.177 0.000 2.354 202 I HA 0.822 4.993 4.170 0.002 0.000 0.292 202 I C 0.002 176.231 176.117 0.186 0.000 0.989 202 I CA -0.129 61.287 61.300 0.195 0.000 1.188 202 I CB 1.191 39.323 38.000 0.220 0.000 1.342 202 I HN 0.712 nan 8.210 nan 0.000 0.457 203 A N 7.508 130.409 122.820 0.134 0.000 2.469 203 A HA 0.765 5.086 4.320 0.002 0.000 0.299 203 A C -1.061 176.455 177.584 -0.113 0.000 1.098 203 A CA -0.954 51.079 52.037 -0.006 0.000 0.737 203 A CB 1.474 20.410 19.000 -0.107 0.000 1.312 203 A HN 0.793 nan 8.150 nan 0.000 0.414 204 R N 1.297 121.603 120.500 -0.323 0.000 2.346 204 R HA 0.456 4.798 4.340 0.002 0.000 0.311 204 R C -1.179 174.913 176.300 -0.347 0.000 0.983 204 R CA -0.404 55.260 56.100 -0.727 0.000 0.880 204 R CB 0.598 30.335 30.300 -0.937 0.000 1.100 204 R HN 0.730 nan 8.270 nan 0.000 0.453 205 Y N 1.533 121.627 120.300 -0.344 0.000 2.890 205 Y HA 0.113 4.664 4.550 0.002 0.000 0.341 205 Y C 1.389 177.214 175.900 -0.125 0.000 1.269 205 Y CA 1.209 59.218 58.100 -0.151 0.000 1.517 205 Y CB 0.634 39.087 38.460 -0.012 0.000 1.314 205 Y HN 1.000 nan 8.280 nan 0.000 0.622 206 G N 2.014 110.880 108.800 0.110 0.000 2.348 206 G HA2 0.169 4.130 3.960 0.002 0.000 0.606 206 G HA3 0.169 4.130 3.960 0.002 0.000 0.606 206 G C -0.826 174.041 174.900 -0.055 0.000 1.466 206 G CA -0.555 44.578 45.100 0.054 0.000 0.950 206 G HN 0.522 nan 8.290 nan 0.000 0.657 207 K N -2.337 117.894 120.400 -0.283 0.000 3.985 207 K HA -0.244 4.077 4.320 0.002 0.000 0.174 207 K C 1.550 178.045 176.600 -0.175 0.000 1.037 207 K CA 1.924 58.036 56.287 -0.290 0.000 0.526 207 K CB -2.466 29.849 32.500 -0.308 0.000 0.711 207 K HN 2.192 nan 8.250 nan 0.000 0.689 208 V N 0.700 120.596 119.914 -0.030 0.000 2.872 208 V HA 0.287 4.408 4.120 0.002 0.000 0.307 208 V C 0.839 177.003 176.094 0.115 0.000 1.072 208 V CA -0.411 61.953 62.300 0.107 0.000 1.148 208 V CB -0.267 31.617 31.823 0.101 0.000 0.954 208 V HN 0.229 nan 8.190 nan 0.000 0.490 209 F N 4.347 124.269 119.950 -0.047 0.000 2.541 209 F HA 0.308 4.836 4.527 0.002 0.000 0.378 209 F C 1.931 177.719 175.800 -0.021 0.000 1.068 209 F CA 0.199 58.164 58.000 -0.059 0.000 1.199 209 F CB 0.293 39.268 39.000 -0.041 0.000 1.091 209 F HN 0.808 nan 8.300 nan 0.000 0.555 210 R N 1.983 122.506 120.500 0.038 0.000 2.246 210 R HA -0.291 4.050 4.340 0.002 0.000 0.266 210 R C 1.943 178.323 176.300 0.134 0.000 1.163 210 R CA 1.882 58.033 56.100 0.085 0.000 0.992 210 R CB -1.450 28.851 30.300 0.002 0.000 0.895 210 R HN 0.774 nan 8.270 nan 0.000 0.465 211 G N 1.318 110.199 108.800 0.134 0.000 2.628 211 G HA2 -0.371 3.590 3.960 0.002 0.000 0.217 211 G HA3 -0.371 3.590 3.960 0.002 0.000 0.217 211 G C 1.107 176.079 174.900 0.120 0.000 1.240 211 G CA 1.178 46.349 45.100 0.117 0.000 0.792 211 G HN 0.464 nan 8.290 nan 0.000 0.593 212 N N 0.938 119.712 118.700 0.124 0.000 2.060 212 N HA -0.143 4.598 4.740 0.002 0.000 0.195 212 N C 2.138 177.738 175.510 0.150 0.000 1.028 212 N CA 1.459 54.583 53.050 0.124 0.000 0.861 212 N CB -0.358 38.203 38.487 0.122 0.000 1.029 212 N HN 0.417 nan 8.380 nan 0.000 0.428 213 K N 0.654 121.146 120.400 0.153 0.000 2.052 213 K HA -0.160 4.161 4.320 0.002 0.000 0.215 213 K C 2.130 178.846 176.600 0.193 0.000 1.053 213 K CA 1.410 57.796 56.287 0.165 0.000 0.934 213 K CB -0.428 32.166 32.500 0.156 0.000 0.717 213 K HN 0.044 nan 8.250 nan 0.000 0.450 214 V N 1.377 121.391 119.914 0.168 0.000 2.307 214 V HA -0.241 3.880 4.120 0.002 0.000 0.245 214 V C 2.440 178.620 176.094 0.144 0.000 1.045 214 V CA 1.851 64.246 62.300 0.158 0.000 1.024 214 V CB -0.392 31.514 31.823 0.139 0.000 0.651 214 V HN 0.366 nan 8.190 nan 0.000 0.449 215 K N 0.646 121.121 120.400 0.125 0.000 2.001 215 K HA -0.198 4.123 4.320 0.002 0.000 0.208 215 K C 1.904 178.568 176.600 0.106 0.000 1.048 215 K CA 2.187 58.532 56.287 0.097 0.000 0.932 215 K CB -0.356 32.191 32.500 0.078 0.000 0.715 215 K HN 0.500 nan 8.250 nan 0.000 0.437 216 N N -0.120 118.674 118.700 0.155 0.000 2.258 216 N HA -0.176 4.565 4.740 0.002 0.000 0.187 216 N C 1.520 177.140 175.510 0.183 0.000 1.012 216 N CA 0.948 54.117 53.050 0.198 0.000 0.870 216 N CB -0.085 38.582 38.487 0.300 0.000 0.977 216 N HN 0.352 nan 8.380 nan 0.000 0.434 217 A N 0.553 123.526 122.820 0.256 0.000 1.968 217 A HA -0.120 4.201 4.320 0.002 0.000 0.217 217 A C 2.004 179.589 177.584 0.000 0.000 1.169 217 A CA 0.953 53.128 52.037 0.230 0.000 0.638 217 A CB -0.182 19.000 19.000 0.303 0.000 0.812 217 A HN 0.297 nan 8.150 nan 0.000 0.446 218 Q N -0.319 119.496 119.800 0.025 0.000 2.123 218 Q HA 0.057 4.398 4.340 0.002 0.000 0.199 218 Q C 1.720 177.688 176.000 -0.052 0.000 0.966 218 Q CA 0.976 56.778 55.803 -0.002 0.000 0.845 218 Q CB -0.256 28.497 28.738 0.025 0.000 0.907 218 Q HN 0.631 nan 8.270 nan 0.000 0.439 219 L N 0.035 121.219 121.223 -0.065 0.000 2.549 219 L HA -0.061 4.280 4.340 0.002 0.000 0.229 219 L C 1.977 178.747 176.870 -0.166 0.000 1.158 219 L CA 0.431 55.222 54.840 -0.081 0.000 0.842 219 L CB -0.291 41.745 42.059 -0.040 0.000 0.952 219 L HN 0.190 nan 8.230 nan 0.000 0.452 220 A N -0.907 121.730 122.820 -0.306 0.000 2.115 220 A HA 0.403 4.724 4.320 0.002 0.000 0.211 220 A C 1.773 179.224 177.584 -0.222 0.000 1.169 220 A CA 0.835 52.618 52.037 -0.425 0.000 0.787 220 A CB 0.234 18.600 19.000 -1.058 0.000 0.858 220 A HN 0.427 nan 8.150 nan 0.000 0.474 221 G N -1.866 106.847 108.800 -0.146 0.000 2.229 221 G HA2 0.222 4.183 3.960 0.002 0.000 0.189 221 G HA3 0.222 4.183 3.960 0.002 0.000 0.189 221 G C 0.607 175.487 174.900 -0.032 0.000 1.000 221 G CA 0.190 45.249 45.100 -0.068 0.000 0.663 221 G HN 1.655 nan 8.290 nan 0.000 0.493 222 A N 0.308 123.110 122.820 -0.031 0.000 2.627 222 A HA 0.300 4.621 4.320 0.002 0.000 0.227 222 A C 1.281 178.886 177.584 0.034 0.000 1.068 222 A CA 1.975 54.031 52.037 0.031 0.000 0.825 222 A CB 0.098 19.142 19.000 0.072 0.000 0.938 222 A HN 0.801 nan 8.150 nan 0.000 0.488 223 K N 0.774 121.201 120.400 0.045 0.000 2.367 223 K HA 0.340 4.661 4.320 0.002 0.000 0.195 223 K C 0.678 177.303 176.600 0.042 0.000 1.060 223 K CA 0.880 57.187 56.287 0.034 0.000 1.022 223 K CB 0.271 32.785 32.500 0.025 0.000 0.894 223 K HN 1.162 nan 8.250 nan 0.000 0.540 224 G N -0.190 108.648 108.800 0.063 0.000 2.451 224 G HA2 0.400 4.361 3.960 0.002 0.000 0.292 224 G HA3 0.400 4.361 3.960 0.002 0.000 0.292 224 G C -1.977 172.984 174.900 0.102 0.000 1.427 224 G CA -0.630 44.514 45.100 0.073 0.000 0.792 224 G HN -0.094 nan 8.290 nan 0.000 0.498 225 V N 1.070 121.052 119.914 0.113 0.000 2.686 225 V HA 0.513 4.634 4.120 0.002 0.000 0.306 225 V C -0.745 175.427 176.094 0.130 0.000 1.065 225 V CA -0.781 61.597 62.300 0.130 0.000 0.894 225 V CB 1.788 33.694 31.823 0.140 0.000 1.004 225 V HN 0.653 nan 8.190 nan 0.000 0.424 226 I N 5.934 126.583 120.570 0.132 0.000 2.354 226 I HA 0.479 4.650 4.170 0.002 0.000 0.286 226 I C -0.468 175.713 176.117 0.108 0.000 1.007 226 I CA -0.330 61.051 61.300 0.135 0.000 1.167 226 I CB 1.308 39.397 38.000 0.148 0.000 1.320 226 I HN 0.384 nan 8.210 nan 0.000 0.458 227 L N 8.068 129.301 121.223 0.018 0.000 2.305 227 L HA 0.473 4.814 4.340 0.002 0.000 0.284 227 L C -0.635 176.027 176.870 -0.348 0.000 1.013 227 L CA -0.807 53.908 54.840 -0.210 0.000 0.819 227 L CB 1.482 43.359 42.059 -0.304 0.000 1.227 227 L HN 0.532 nan 8.230 nan 0.000 0.417 228 Y N 0.497 120.540 120.300 -0.428 0.000 2.570 228 Y HA 0.656 5.207 4.550 0.002 0.000 0.345 228 Y C -0.420 175.327 175.900 -0.254 0.000 1.014 228 Y CA -1.243 56.678 58.100 -0.298 0.000 1.063 228 Y CB 1.492 39.904 38.460 -0.080 0.000 1.272 228 Y HN 0.378 nan 8.280 nan 0.000 0.477 229 S N 2.890 118.581 115.700 -0.015 0.000 2.473 229 S HA 0.081 4.552 4.470 0.002 0.000 0.312 229 S C -0.799 173.899 174.600 0.163 0.000 1.087 229 S CA -0.681 57.633 58.200 0.191 0.000 1.077 229 S CB -0.185 63.313 63.200 0.496 0.000 1.065 229 S HN 0.677 nan 8.310 nan 0.000 0.510 230 D N 3.014 123.240 120.400 -0.290 0.000 2.304 230 D HA 0.186 4.827 4.640 0.002 0.000 0.250 230 D C -1.748 174.412 176.300 -0.234 0.000 1.107 230 D CA -2.116 51.816 54.000 -0.114 0.000 0.885 230 D CB 1.578 42.242 40.800 -0.227 0.000 1.192 230 D HN 0.089 nan 8.370 nan 0.000 0.436 231 P HA -0.127 nan 4.420 nan 0.000 0.216 231 P C 1.027 178.273 177.300 -0.091 0.000 1.150 231 P CA 1.544 64.477 63.100 -0.280 0.000 0.837 231 P CB 0.158 31.469 31.700 -0.649 0.000 0.786 232 A N 0.231 122.975 122.820 -0.126 0.000 1.896 232 A HA -0.291 4.030 4.320 0.002 0.000 0.220 232 A C 1.937 179.497 177.584 -0.040 0.000 1.206 232 A CA 2.470 54.465 52.037 -0.071 0.000 0.647 232 A CB -1.455 17.459 19.000 -0.144 0.000 0.828 232 A HN 0.169 nan 8.150 nan 0.000 0.455 233 D N -0.885 119.414 120.400 -0.170 0.000 2.087 233 D HA -0.040 4.601 4.640 0.002 0.000 0.203 233 D C 0.345 176.538 176.300 -0.179 0.000 0.976 233 D CA 1.462 55.358 54.000 -0.172 0.000 0.865 233 D CB -0.693 39.851 40.800 -0.426 0.000 1.005 233 D HN 0.644 nan 8.370 nan 0.000 0.449 234 Y N -0.926 119.260 120.300 -0.190 0.000 2.721 234 Y HA 0.571 5.122 4.550 0.002 0.000 0.328 234 Y C -1.044 174.715 175.900 -0.236 0.000 1.003 234 Y CA -2.114 55.670 58.100 -0.527 0.000 1.275 234 Y CB -0.046 38.140 38.460 -0.456 0.000 1.097 234 Y HN -0.115 nan 8.280 nan 0.000 0.514 235 F N 2.713 122.506 119.950 -0.262 0.000 3.397 235 F HA 0.690 5.218 4.527 0.002 0.000 0.406 235 F C -0.449 175.387 175.800 0.060 0.000 1.166 235 F CA -1.449 56.525 58.000 -0.043 0.000 1.322 235 F CB 0.254 39.229 39.000 -0.042 0.000 2.322 235 F HN 0.719 nan 8.300 nan 0.000 0.709 236 A N 5.164 127.935 122.820 -0.082 0.000 2.572 236 A HA 0.283 4.604 4.320 0.002 0.000 0.256 236 A C -2.339 175.165 177.584 -0.133 0.000 1.041 236 A CA -0.476 51.671 52.037 0.183 0.000 0.790 236 A CB -0.781 18.564 19.000 0.575 0.000 0.947 236 A HN 0.450 nan 8.150 nan 0.000 0.518 237 P HA 0.264 nan 4.420 nan 0.000 0.260 237 P C 0.781 178.020 177.300 -0.101 0.000 1.207 237 P CA 1.879 64.945 63.100 -0.057 0.000 0.780 237 P CB 0.342 32.066 31.700 0.040 0.000 0.789 238 G N 1.565 110.275 108.800 -0.150 0.000 2.309 238 G HA2 -0.004 3.957 3.960 0.002 0.000 0.183 238 G HA3 -0.004 3.957 3.960 0.002 0.000 0.183 238 G C -0.344 174.450 174.900 -0.176 0.000 1.063 238 G CA -0.423 44.601 45.100 -0.127 0.000 0.768 238 G HN 0.477 nan 8.290 nan 0.000 0.490 239 V N -1.392 118.407 119.914 -0.192 0.000 3.188 239 V HA 0.720 4.841 4.120 0.002 0.000 0.305 239 V C 0.017 176.111 176.094 -0.001 0.000 1.232 239 V CA -1.433 60.785 62.300 -0.136 0.000 1.043 239 V CB 2.138 33.861 31.823 -0.167 0.000 1.068 239 V HN 0.334 nan 8.190 nan 0.000 0.439 240 K N 0.122 120.578 120.400 0.093 0.000 2.179 240 K HA 0.617 4.938 4.320 0.002 0.000 0.238 240 K C -0.144 176.585 176.600 0.214 0.000 1.033 240 K CA -0.436 55.946 56.287 0.159 0.000 0.926 240 K CB 0.426 33.009 32.500 0.139 0.000 1.151 240 K HN 0.606 nan 8.250 nan 0.000 0.492 241 S N 1.485 117.304 115.700 0.199 0.000 2.439 241 S HA 0.057 4.528 4.470 0.002 0.000 0.282 241 S C 0.270 174.916 174.600 0.077 0.000 1.170 241 S CA -0.449 57.851 58.200 0.166 0.000 1.054 241 S CB -0.348 62.928 63.200 0.126 0.000 0.956 241 S HN 0.660 nan 8.310 nan 0.000 0.490 242 Y N 6.110 126.388 120.300 -0.037 0.000 2.176 242 Y HA -0.425 4.126 4.550 0.002 0.000 0.157 242 Y C -1.491 174.390 175.900 -0.031 0.000 1.161 242 Y CA 3.249 61.293 58.100 -0.093 0.000 0.814 242 Y CB -2.398 35.998 38.460 -0.106 0.000 0.570 242 Y HN 0.533 nan 8.280 nan 0.000 0.643 243 P HA -0.235 nan 4.420 nan 0.000 0.227 243 P C 0.845 177.922 177.300 -0.373 0.000 1.141 243 P CA 2.986 65.688 63.100 -0.664 0.000 0.964 243 P CB -0.119 31.503 31.700 -0.129 0.000 0.784 244 D N -3.073 117.271 120.400 -0.093 0.000 2.513 244 D HA 0.170 4.811 4.640 0.002 0.000 0.222 244 D C 1.442 177.886 176.300 0.240 0.000 1.210 244 D CA 0.231 54.332 54.000 0.168 0.000 0.825 244 D CB 0.317 41.183 40.800 0.110 0.000 1.037 244 D HN 0.160 nan 8.370 nan 0.000 0.506 245 G N 0.072 108.882 108.800 0.018 0.000 2.586 245 G HA2 0.044 4.005 3.960 0.002 0.000 0.199 245 G HA3 0.044 4.005 3.960 0.002 0.000 0.199 245 G C 0.684 175.658 174.900 0.124 0.000 1.614 245 G CA 0.885 46.039 45.100 0.090 0.000 0.921 245 G HN 0.417 nan 8.290 nan 0.000 0.428 246 W N -1.824 119.305 121.300 -0.284 0.000 0.378 246 W HA -0.126 4.535 4.660 0.002 0.000 0.220 246 W C 0.100 176.628 176.519 0.016 0.000 0.934 246 W CA 0.359 57.553 57.345 -0.252 0.000 0.333 246 W CB -0.830 28.611 29.460 -0.031 0.000 1.930 246 W HN 0.422 nan 8.180 nan 0.000 0.910 247 N N 1.233 120.197 118.700 0.441 0.000 2.593 247 N HA 0.468 5.209 4.740 0.002 0.000 0.304 247 N C -0.869 174.809 175.510 0.281 0.000 1.296 247 N CA 0.347 53.619 53.050 0.369 0.000 0.950 247 N CB 0.526 39.200 38.487 0.312 0.000 1.127 247 N HN 0.056 nan 8.380 nan 0.000 0.587 248 L N 1.729 123.188 121.223 0.394 0.000 2.275 248 L HA 0.526 4.867 4.340 0.002 0.000 0.288 248 L C -2.367 174.629 176.870 0.211 0.000 1.046 248 L CA -1.545 53.461 54.840 0.277 0.000 0.805 248 L CB 1.151 43.422 42.059 0.353 0.000 1.193 248 L HN 0.421 nan 8.230 nan 0.000 0.426 249 P HA 0.261 nan 4.420 nan 0.000 0.274 249 P C 0.423 177.332 177.300 -0.652 0.000 1.237 249 P CA -0.263 62.649 63.100 -0.313 0.000 0.793 249 P CB 0.882 32.233 31.700 -0.580 0.000 0.977 250 G N 1.478 109.571 108.800 -1.179 0.000 2.422 250 G HA2 -0.181 3.780 3.960 0.002 0.000 0.218 250 G HA3 -0.181 3.780 3.960 0.002 0.000 0.218 250 G C 1.530 175.622 174.900 -1.346 0.000 1.146 250 G CA 0.838 44.543 45.100 -2.326 0.000 0.769 250 G HN 0.636 nan 8.290 nan 0.000 0.547 251 G N 0.411 108.756 108.800 -0.758 0.000 2.650 251 G HA2 0.320 4.281 3.960 0.002 0.000 0.214 251 G HA3 0.320 4.281 3.960 0.002 0.000 0.214 251 G C 0.947 175.783 174.900 -0.107 0.000 1.136 251 G CA 0.481 45.415 45.100 -0.276 0.000 0.789 251 G HN 0.623 nan 8.290 nan 0.000 0.536 252 G N -0.085 108.613 108.800 -0.170 0.000 2.343 252 G HA2 0.406 4.367 3.960 0.002 0.000 0.254 252 G HA3 0.406 4.367 3.960 0.002 0.000 0.254 252 G C -0.750 174.168 174.900 0.030 0.000 1.277 252 G CA -0.109 45.028 45.100 0.063 0.000 0.909 252 G HN 0.137 nan 8.290 nan 0.000 0.502 253 V N 2.723 122.690 119.914 0.089 0.000 2.715 253 V HA 0.361 4.482 4.120 0.002 0.000 0.310 253 V C 0.099 176.214 176.094 0.035 0.000 1.054 253 V CA -0.796 61.538 62.300 0.057 0.000 0.928 253 V CB 1.988 33.832 31.823 0.036 0.000 1.007 253 V HN 0.797 nan 8.190 nan 0.000 0.437 254 Q N 3.763 123.610 119.800 0.077 0.000 2.398 254 Q HA 0.418 4.759 4.340 0.002 0.000 0.251 254 Q C -0.220 175.725 176.000 -0.093 0.000 0.999 254 Q CA -0.650 55.174 55.803 0.035 0.000 0.874 254 Q CB 0.773 29.622 28.738 0.184 0.000 1.215 254 Q HN 0.651 nan 8.270 nan 0.000 0.470 255 R N 1.308 121.556 120.500 -0.421 0.000 2.840 255 R HA 0.690 5.031 4.340 0.002 0.000 0.282 255 R C 0.129 175.973 176.300 -0.759 0.000 1.133 255 R CA 0.677 56.266 56.100 -0.852 0.000 1.208 255 R CB 0.533 29.830 30.300 -1.672 0.000 1.160 255 R HN 0.803 nan 8.270 nan 0.000 0.576 256 G N -0.342 107.912 108.800 -0.910 0.000 2.368 256 G HA2 0.165 4.126 3.960 0.002 0.000 0.303 256 G HA3 0.165 4.126 3.960 0.002 0.000 0.303 256 G C -1.822 172.953 174.900 -0.208 0.000 1.590 256 G CA -0.979 43.916 45.100 -0.341 0.000 0.938 256 G HN 0.760 nan 8.290 nan 0.000 0.675 257 N N -0.971 117.757 118.700 0.047 0.000 2.487 257 N HA 0.609 5.350 4.740 0.002 0.000 0.292 257 N C 0.907 176.495 175.510 0.130 0.000 1.108 257 N CA -0.790 52.347 53.050 0.145 0.000 0.956 257 N CB 1.524 40.169 38.487 0.264 0.000 1.176 257 N HN 0.805 nan 8.380 nan 0.000 0.484 258 I N -1.475 119.202 120.570 0.178 0.000 3.877 258 I HA 0.315 4.486 4.170 0.002 0.000 0.332 258 I C -0.481 175.689 176.117 0.090 0.000 1.525 258 I CA -0.645 60.735 61.300 0.133 0.000 1.146 258 I CB -0.215 37.874 38.000 0.147 0.000 1.137 258 I HN 0.286 nan 8.210 nan 0.000 0.424 259 L N 1.425 122.665 121.223 0.029 0.000 2.473 259 L HA 0.163 4.504 4.340 0.002 0.000 0.268 259 L C 0.047 176.884 176.870 -0.055 0.000 1.215 259 L CA 0.346 55.120 54.840 -0.110 0.000 0.823 259 L CB 0.281 42.145 42.059 -0.325 0.000 1.099 259 L HN 0.277 nan 8.230 nan 0.000 0.483 260 N N 1.490 120.146 118.700 -0.073 0.000 2.844 260 N HA 0.277 5.018 4.740 0.002 0.000 0.268 260 N C -0.207 175.252 175.510 -0.084 0.000 1.574 260 N CA -0.166 52.855 53.050 -0.048 0.000 0.838 260 N CB 0.414 38.890 38.487 -0.018 0.000 1.177 260 N HN 0.425 nan 8.380 nan 0.000 0.495 261 L N 0.308 121.463 121.223 -0.113 0.000 2.779 261 L HA 0.167 4.508 4.340 0.002 0.000 0.239 261 L C 1.266 178.038 176.870 -0.164 0.000 1.245 261 L CA -0.274 54.482 54.840 -0.140 0.000 1.064 261 L CB -0.656 41.297 42.059 -0.176 0.000 1.350 261 L HN 0.390 nan 8.230 nan 0.000 0.455 262 N N 1.782 120.396 118.700 -0.144 0.000 1.409 262 N HA -0.324 4.417 4.740 0.002 0.000 0.113 262 N C 1.600 176.768 175.510 -0.571 0.000 0.398 262 N CA 2.492 55.416 53.050 -0.209 0.000 0.788 262 N CB -0.836 37.550 38.487 -0.167 0.000 0.637 262 N HN 0.537 nan 8.380 nan 0.000 1.398 263 G N 0.203 108.699 108.800 -0.506 0.000 2.866 263 G HA2 0.287 4.248 3.960 0.002 0.000 0.207 263 G HA3 0.287 4.248 3.960 0.002 0.000 0.207 263 G C 0.325 174.992 174.900 -0.388 0.000 1.402 263 G CA 2.264 47.033 45.100 -0.552 0.000 0.830 263 G HN 0.943 nan 8.290 nan 0.000 0.644 264 A N -4.150 118.525 122.820 -0.242 0.000 2.410 264 A HA 0.725 5.046 4.320 0.002 0.000 0.300 264 A C 0.101 177.360 177.584 -0.541 0.000 1.077 264 A CA 0.470 52.264 52.037 -0.403 0.000 0.610 264 A CB 0.113 18.865 19.000 -0.413 0.000 1.371 264 A HN 2.509 nan 8.150 nan 0.000 0.510 265 G N -0.424 108.102 108.800 -0.457 0.000 2.603 265 G HA2 0.461 4.422 3.960 0.002 0.000 0.686 265 G HA3 0.461 4.422 3.960 0.002 0.000 0.686 265 G C -0.772 173.962 174.900 -0.276 0.000 1.286 265 G CA 0.470 45.322 45.100 -0.414 0.000 0.871 265 G HN 2.157 nan 8.290 nan 0.000 0.568 266 D N 0.486 120.749 120.400 -0.228 0.000 2.389 266 D HA 0.474 5.115 4.640 0.002 0.000 0.247 266 D C -0.672 175.537 176.300 -0.153 0.000 1.128 266 D CA -1.665 52.244 54.000 -0.152 0.000 0.884 266 D CB 1.128 41.860 40.800 -0.113 0.000 1.194 266 D HN 0.087 nan 8.370 nan 0.000 0.441 267 P HA -0.087 nan 4.420 nan 0.000 0.224 267 P C 0.624 177.873 177.300 -0.085 0.000 1.142 267 P CA 1.127 64.142 63.100 -0.141 0.000 0.778 267 P CB 0.098 31.693 31.700 -0.174 0.000 0.764 268 L N -3.061 118.118 121.223 -0.074 0.000 2.642 268 L HA 0.169 4.510 4.340 0.002 0.000 0.233 268 L C 0.943 177.787 176.870 -0.043 0.000 1.077 268 L CA 0.506 55.312 54.840 -0.057 0.000 0.879 268 L CB -0.237 41.785 42.059 -0.063 0.000 1.151 268 L HN -0.071 nan 8.230 nan 0.000 0.495 269 T N -1.019 113.498 114.554 -0.063 0.000 3.332 269 T HA 0.442 4.794 4.350 0.002 0.000 0.385 269 T C -2.828 171.809 174.700 -0.106 0.000 1.695 269 T CA -1.977 60.099 62.100 -0.040 0.000 1.397 269 T CB 0.695 69.525 68.868 -0.062 0.000 1.100 269 T HN -0.212 nan 8.240 nan 0.000 0.669 270 P HA 0.462 nan 4.420 nan 0.000 0.287 270 P C 1.194 178.373 177.300 -0.202 0.000 1.294 270 P CA 0.540 63.545 63.100 -0.159 0.000 0.776 270 P CB 0.984 32.715 31.700 0.053 0.000 0.889 271 G N 2.312 110.825 108.800 -0.479 0.000 2.396 271 G HA2 -0.265 3.696 3.960 0.002 0.000 0.242 271 G HA3 -0.265 3.696 3.960 0.002 0.000 0.242 271 G C -0.359 174.052 174.900 -0.816 0.000 1.069 271 G CA -0.057 44.673 45.100 -0.618 0.000 0.633 271 G HN 0.489 nan 8.290 nan 0.000 0.517 272 Y N 0.859 121.085 120.300 -0.124 0.000 2.485 272 Y HA 0.622 5.173 4.550 0.002 0.000 0.345 272 Y C -2.253 173.539 175.900 -0.180 0.000 0.998 272 Y CA -2.715 55.310 58.100 -0.126 0.000 1.059 272 Y CB 1.452 39.868 38.460 -0.072 0.000 1.234 272 Y HN -0.054 nan 8.280 nan 0.000 0.461 273 P HA 0.026 nan 4.420 nan 0.000 0.268 273 P C -0.510 176.730 177.300 -0.099 0.000 1.208 273 P CA 0.053 63.061 63.100 -0.154 0.000 0.777 273 P CB 0.626 32.272 31.700 -0.090 0.000 0.875 274 A N 2.370 125.145 122.820 -0.076 0.000 3.105 274 A HA 0.087 4.408 4.320 0.002 0.000 0.272 274 A C 0.755 178.388 177.584 0.083 0.000 1.466 274 A CA -0.507 51.533 52.037 0.005 0.000 1.101 274 A CB -1.450 17.565 19.000 0.025 0.000 1.065 274 A HN 0.638 nan 8.150 nan 0.000 0.643 275 N N -0.467 118.222 118.700 -0.018 0.000 2.326 275 N HA 0.006 4.747 4.740 0.002 0.000 0.239 275 N C 0.309 175.737 175.510 -0.137 0.000 1.301 275 N CA -0.172 52.819 53.050 -0.098 0.000 0.909 275 N CB 0.698 39.018 38.487 -0.279 0.000 1.156 275 N HN 0.405 nan 8.380 nan 0.000 0.462 276 E N -0.289 119.881 120.200 -0.050 0.000 2.118 276 E HA -0.240 4.111 4.350 0.002 0.000 0.195 276 E C 1.039 177.681 176.600 0.071 0.000 0.992 276 E CA 1.622 58.045 56.400 0.039 0.000 0.804 276 E CB -0.407 29.360 29.700 0.111 0.000 0.741 276 E HN 0.798 nan 8.360 nan 0.000 0.458 277 Y N -0.774 119.546 120.300 0.032 0.000 2.461 277 Y HA 0.549 5.100 4.550 0.002 0.000 0.277 277 Y C 0.665 176.593 175.900 0.047 0.000 1.182 277 Y CA -0.442 57.678 58.100 0.034 0.000 1.276 277 Y CB -0.208 38.266 38.460 0.023 0.000 1.087 277 Y HN -0.173 nan 8.280 nan 0.000 0.519 278 A N 1.161 123.848 122.820 -0.222 0.000 2.387 278 A HA 0.139 4.460 4.320 0.002 0.000 0.251 278 A C -1.212 176.401 177.584 0.047 0.000 1.113 278 A CA -0.036 51.917 52.037 -0.140 0.000 0.794 278 A CB -0.206 18.705 19.000 -0.149 0.000 1.069 278 A HN 0.604 nan 8.150 nan 0.000 0.506 279 Y N 1.365 121.630 120.300 -0.058 0.000 2.376 279 Y HA 0.430 4.981 4.550 0.002 0.000 0.326 279 Y C 0.210 176.099 175.900 -0.018 0.000 0.970 279 Y CA -0.977 57.107 58.100 -0.026 0.000 1.248 279 Y CB 0.619 39.063 38.460 -0.027 0.000 1.117 279 Y HN 0.651 nan 8.280 nan 0.000 0.476 280 R N 4.598 124.836 120.500 -0.437 0.000 2.641 280 R HA 0.255 4.596 4.340 0.002 0.000 0.269 280 R C 0.932 176.954 176.300 -0.462 0.000 1.074 280 R CA -0.348 55.554 56.100 -0.330 0.000 1.133 280 R CB 0.660 30.828 30.300 -0.221 0.000 1.029 280 R HN 0.855 nan 8.270 nan 0.000 0.488 281 R N 0.595 120.972 120.500 -0.206 0.000 2.061 281 R HA -0.013 4.328 4.340 0.002 0.000 0.230 281 R C 0.318 176.546 176.300 -0.119 0.000 1.140 281 R CA 1.454 57.481 56.100 -0.122 0.000 0.940 281 R CB -0.093 30.190 30.300 -0.027 0.000 0.839 281 R HN 0.924 nan 8.270 nan 0.000 0.429 282 G N -0.116 108.630 108.800 -0.091 0.000 3.306 282 G HA2 -0.089 3.872 3.960 0.002 0.000 0.672 282 G HA3 -0.089 3.872 3.960 0.002 0.000 0.672 282 G C 0.219 175.108 174.900 -0.018 0.000 1.212 282 G CA -0.631 44.435 45.100 -0.058 0.000 1.150 282 G HN 0.069 nan 8.290 nan 0.000 0.509 283 I N 1.430 121.998 120.570 -0.004 0.000 2.600 283 I HA -0.423 3.748 4.170 0.002 0.000 0.230 283 I C 3.221 179.349 176.117 0.018 0.000 0.913 283 I CA 3.690 65.001 61.300 0.019 0.000 1.228 283 I CB -0.751 37.268 38.000 0.032 0.000 0.943 283 I HN 1.182 nan 8.210 nan 0.000 0.391 284 A N -0.580 122.249 122.820 0.016 0.000 1.884 284 A HA -0.253 4.068 4.320 0.002 0.000 0.219 284 A C 1.875 179.468 177.584 0.014 0.000 1.197 284 A CA 2.261 54.308 52.037 0.017 0.000 0.637 284 A CB -0.752 18.258 19.000 0.016 0.000 0.827 284 A HN 0.668 nan 8.150 nan 0.000 0.450 285 E N -0.099 120.108 120.200 0.012 0.000 2.349 285 E HA 0.486 4.837 4.350 0.002 0.000 0.201 285 E C 0.454 177.057 176.600 0.006 0.000 1.087 285 E CA -0.115 56.293 56.400 0.013 0.000 1.128 285 E CB 0.064 29.777 29.700 0.022 0.000 1.188 285 E HN 0.604 nan 8.360 nan 0.000 0.445 286 A N 0.682 123.502 122.820 -0.000 0.000 2.256 286 A HA 0.286 4.607 4.320 0.002 0.000 0.276 286 A C 0.326 177.898 177.584 -0.021 0.000 1.259 286 A CA -0.327 51.702 52.037 -0.013 0.000 0.813 286 A CB 0.513 19.506 19.000 -0.012 0.000 1.200 286 A HN 0.126 nan 8.150 nan 0.000 0.506 287 V N 0.277 120.164 119.914 -0.045 0.000 2.293 287 V HA 0.534 4.655 4.120 0.002 0.000 0.275 287 V C 1.029 177.076 176.094 -0.079 0.000 1.021 287 V CA 0.544 62.812 62.300 -0.054 0.000 0.815 287 V CB -0.127 31.660 31.823 -0.059 0.000 1.025 287 V HN 1.899 nan 8.190 nan 0.000 0.448 288 G N 4.630 113.398 108.800 -0.053 0.000 2.176 288 G HA2 -0.221 3.740 3.960 0.002 0.000 0.252 288 G HA3 -0.221 3.740 3.960 0.002 0.000 0.252 288 G C 0.051 174.923 174.900 -0.048 0.000 1.024 288 G CA 0.088 45.157 45.100 -0.052 0.000 0.755 288 G HN 0.574 nan 8.290 nan 0.000 0.507 289 L N 0.160 121.366 121.223 -0.028 0.000 2.417 289 L HA 0.354 4.695 4.340 0.002 0.000 0.268 289 L C -1.295 175.602 176.870 0.045 0.000 1.158 289 L CA -1.829 53.018 54.840 0.012 0.000 0.819 289 L CB 0.455 42.541 42.059 0.046 0.000 1.112 289 L HN -0.025 nan 8.230 nan 0.000 0.458 290 P HA 0.086 nan 4.420 nan 0.000 0.274 290 P C -0.102 177.244 177.300 0.076 0.000 1.246 290 P CA -0.376 62.774 63.100 0.084 0.000 0.795 290 P CB 0.780 32.548 31.700 0.115 0.000 1.006 291 S N -0.066 115.673 115.700 0.065 0.000 2.559 291 S HA 0.257 4.728 4.470 0.002 0.000 0.226 291 S C 0.485 175.118 174.600 0.056 0.000 1.000 291 S CA -0.172 58.061 58.200 0.055 0.000 0.948 291 S CB -0.366 62.858 63.200 0.040 0.000 0.870 291 S HN 0.424 nan 8.310 nan 0.000 0.497 292 I N -1.347 119.263 120.570 0.068 0.000 2.752 292 I HA 0.614 4.785 4.170 0.002 0.000 0.295 292 I C -3.234 172.932 176.117 0.081 0.000 1.219 292 I CA -2.683 58.655 61.300 0.065 0.000 1.030 292 I CB 1.166 39.201 38.000 0.059 0.000 1.259 292 I HN -0.240 nan 8.210 nan 0.000 0.423 293 P HA 0.099 nan 4.420 nan 0.000 0.266 293 P C -0.659 176.706 177.300 0.109 0.000 1.186 293 P CA 0.239 63.390 63.100 0.086 0.000 0.767 293 P CB 0.956 32.685 31.700 0.050 0.000 0.820 294 V N 3.113 123.110 119.914 0.138 0.000 2.808 294 V HA 0.425 4.546 4.120 0.002 0.000 0.308 294 V C -0.352 175.860 176.094 0.198 0.000 1.099 294 V CA -0.428 61.964 62.300 0.154 0.000 0.920 294 V CB 2.086 33.995 31.823 0.144 0.000 1.014 294 V HN 0.736 nan 8.190 nan 0.000 0.425 295 H N 3.956 123.073 119.070 0.077 0.000 2.974 295 H HA 0.490 5.047 4.556 0.002 0.000 0.366 295 H C -3.065 172.292 175.328 0.047 0.000 1.155 295 H CA -1.746 54.346 56.048 0.072 0.000 1.186 295 H CB 3.592 33.388 29.762 0.057 0.000 1.799 295 H HN 0.382 nan 8.280 nan 0.000 0.541 296 P HA 0.269 nan 4.420 nan 0.000 0.285 296 P C -0.740 176.597 177.300 0.063 0.000 1.259 296 P CA -0.412 62.617 63.100 -0.118 0.000 0.794 296 P CB 1.152 32.742 31.700 -0.183 0.000 0.940 297 I N 1.893 122.512 120.570 0.082 0.000 2.646 297 I HA 0.573 4.744 4.170 0.002 0.000 0.299 297 I C 0.564 176.752 176.117 0.118 0.000 1.036 297 I CA -0.451 60.931 61.300 0.136 0.000 1.074 297 I CB 1.887 39.980 38.000 0.156 0.000 1.258 297 I HN 0.366 nan 8.210 nan 0.000 0.430 298 G N 3.376 112.219 108.800 0.073 0.000 2.451 298 G HA2 0.282 4.243 3.960 0.002 0.000 0.303 298 G HA3 0.282 4.243 3.960 0.002 0.000 0.303 298 G C 0.184 175.090 174.900 0.010 0.000 1.166 298 G CA -0.181 44.909 45.100 -0.018 0.000 0.884 298 G HN 0.699 nan 8.290 nan 0.000 0.514 299 Y N -1.193 119.141 120.300 0.056 0.000 2.293 299 Y HA -0.051 4.500 4.550 0.002 0.000 0.291 299 Y C 2.132 178.086 175.900 0.089 0.000 1.137 299 Y CA 0.819 58.952 58.100 0.054 0.000 1.202 299 Y CB -0.685 37.813 38.460 0.063 0.000 0.990 299 Y HN 0.603 nan 8.280 nan 0.000 0.537 300 Y N 0.917 121.122 120.300 -0.160 0.000 2.256 300 Y HA -0.260 4.291 4.550 0.002 0.000 0.288 300 Y C 2.236 178.095 175.900 -0.069 0.000 1.155 300 Y CA 0.849 58.901 58.100 -0.080 0.000 1.203 300 Y CB -0.073 38.306 38.460 -0.134 0.000 0.980 300 Y HN 0.312 nan 8.280 nan 0.000 0.530 301 D N -0.292 120.189 120.400 0.134 0.000 2.213 301 D HA -0.057 4.584 4.640 0.002 0.000 0.205 301 D C 2.096 178.452 176.300 0.093 0.000 0.961 301 D CA 0.755 54.851 54.000 0.160 0.000 0.853 301 D CB 0.227 41.124 40.800 0.162 0.000 0.967 301 D HN 0.310 nan 8.370 nan 0.000 0.496 302 A N 0.859 123.676 122.820 -0.005 0.000 1.929 302 A HA -0.167 4.154 4.320 0.002 0.000 0.216 302 A C 2.117 179.544 177.584 -0.263 0.000 1.176 302 A CA 1.129 53.044 52.037 -0.202 0.000 0.628 302 A CB -0.493 18.201 19.000 -0.510 0.000 0.816 302 A HN 0.226 nan 8.150 nan 0.000 0.444 303 Q N -0.135 119.551 119.800 -0.190 0.000 2.002 303 Q HA -0.246 4.095 4.340 0.002 0.000 0.204 303 Q C 1.650 177.465 176.000 -0.309 0.000 0.988 303 Q CA 1.786 57.441 55.803 -0.247 0.000 0.843 303 Q CB -0.183 28.460 28.738 -0.158 0.000 0.908 303 Q HN 0.374 nan 8.270 nan 0.000 0.420 304 K N 0.348 120.558 120.400 -0.317 0.000 2.228 304 K HA -0.158 4.163 4.320 0.002 0.000 0.205 304 K C 2.054 178.411 176.600 -0.405 0.000 1.045 304 K CA 1.034 57.020 56.287 -0.501 0.000 0.931 304 K CB -0.267 31.659 32.500 -0.957 0.000 0.727 304 K HN 0.354 nan 8.250 nan 0.000 0.458 305 L N -0.337 120.759 121.223 -0.212 0.000 2.168 305 L HA -0.023 4.318 4.340 0.002 0.000 0.203 305 L C 2.168 178.868 176.870 -0.284 0.000 1.078 305 L CA 0.402 55.165 54.840 -0.130 0.000 0.780 305 L CB -0.221 41.864 42.059 0.043 0.000 0.939 305 L HN 0.012 nan 8.230 nan 0.000 0.451 306 L N -0.329 120.700 121.223 -0.323 0.000 2.376 306 L HA -0.123 4.218 4.340 0.002 0.000 0.219 306 L C 2.412 179.009 176.870 -0.455 0.000 1.133 306 L CA 0.602 55.210 54.840 -0.386 0.000 0.816 306 L CB -0.358 41.394 42.059 -0.513 0.000 0.933 306 L HN 0.315 nan 8.230 nan 0.000 0.449 307 E N 1.209 121.121 120.200 -0.479 0.000 2.001 307 E HA -0.240 4.111 4.350 0.002 0.000 0.195 307 E C 1.813 178.061 176.600 -0.588 0.000 1.002 307 E CA 1.355 57.461 56.400 -0.491 0.000 0.819 307 E CB 0.088 29.500 29.700 -0.481 0.000 0.769 307 E HN 0.399 nan 8.360 nan 0.000 0.454 308 K N 0.133 120.023 120.400 -0.850 0.000 2.442 308 K HA -0.081 4.240 4.320 0.002 0.000 0.198 308 K C 0.747 176.781 176.600 -0.943 0.000 1.042 308 K CA -0.030 55.572 56.287 -1.142 0.000 0.958 308 K CB -0.263 31.236 32.500 -1.668 0.000 0.766 308 K HN 0.179 nan 8.250 nan 0.000 0.474 309 M N 1.618 120.788 119.600 -0.717 0.000 2.504 309 M HA -0.055 4.426 4.480 0.002 0.000 0.378 309 M C 0.140 176.409 176.300 -0.052 0.000 1.706 309 M CA 0.464 55.637 55.300 -0.213 0.000 1.036 309 M CB 0.287 32.793 32.600 -0.156 0.000 2.129 309 M HN 0.106 nan 8.290 nan 0.000 0.474 310 G N 4.488 113.381 108.800 0.155 0.000 3.986 310 G HA2 0.558 4.519 3.960 0.002 0.000 0.343 310 G HA3 0.558 4.519 3.960 0.002 0.000 0.343 310 G C 0.239 175.210 174.900 0.120 0.000 1.413 310 G CA -0.254 44.912 45.100 0.111 0.000 1.143 310 G HN 0.990 nan 8.290 nan 0.000 0.488 311 G N 0.870 109.726 108.800 0.094 0.000 3.022 311 G HA2 0.677 4.638 3.960 0.002 0.000 0.157 311 G HA3 0.677 4.638 3.960 0.002 0.000 0.157 311 G C 0.348 175.286 174.900 0.064 0.000 1.468 311 G CA 0.371 45.528 45.100 0.095 0.000 1.058 311 G HN 1.101 nan 8.290 nan 0.000 0.581 312 S N -2.181 113.553 115.700 0.058 0.000 2.806 312 S HA 0.641 5.112 4.470 0.002 0.000 0.306 312 S C 0.082 174.687 174.600 0.008 0.000 1.167 312 S CA 0.053 58.270 58.200 0.029 0.000 0.847 312 S CB 1.011 64.227 63.200 0.025 0.000 1.216 312 S HN 1.750 nan 8.310 nan 0.000 0.532 313 A N 1.712 124.523 122.820 -0.014 0.000 2.488 313 A HA 0.263 4.584 4.320 0.002 0.000 0.285 313 A C -2.394 175.132 177.584 -0.097 0.000 1.059 313 A CA -0.104 51.907 52.037 -0.044 0.000 0.977 313 A CB -1.553 17.418 19.000 -0.049 0.000 0.908 313 A HN 0.514 nan 8.150 nan 0.000 0.514 314 P HA 0.180 nan 4.420 nan 0.000 0.267 314 P C -1.667 175.439 177.300 -0.323 0.000 1.328 314 P CA -0.936 62.070 63.100 -0.158 0.000 0.990 314 P CB 0.384 32.100 31.700 0.027 0.000 1.168 315 P HA -0.288 nan 4.420 nan 0.000 0.246 315 P C 0.253 177.366 177.300 -0.312 0.000 0.850 315 P CA 1.466 64.257 63.100 -0.515 0.000 1.109 315 P CB -0.141 31.014 31.700 -0.909 0.000 0.744 316 D N -1.491 118.739 120.400 -0.285 0.000 2.414 316 D HA 0.052 4.693 4.640 0.002 0.000 0.259 316 D C 1.300 177.608 176.300 0.013 0.000 1.269 316 D CA 0.499 54.471 54.000 -0.046 0.000 1.028 316 D CB -0.072 40.785 40.800 0.096 0.000 1.093 316 D HN 0.239 nan 8.370 nan 0.000 0.545 317 S N -1.545 114.195 115.700 0.066 0.000 2.593 317 S HA -0.063 4.408 4.470 0.002 0.000 0.217 317 S C 1.547 176.210 174.600 0.104 0.000 0.966 317 S CA 0.317 58.559 58.200 0.070 0.000 0.914 317 S CB -0.190 63.040 63.200 0.050 0.000 0.776 317 S HN 0.406 nan 8.310 nan 0.000 0.523 318 S N -0.357 115.454 115.700 0.184 0.000 2.470 318 S HA 0.058 4.529 4.470 0.002 0.000 0.225 318 S C 0.803 175.505 174.600 0.169 0.000 1.006 318 S CA -0.295 58.015 58.200 0.184 0.000 0.934 318 S CB -0.862 62.477 63.200 0.232 0.000 0.778 318 S HN 0.670 nan 8.310 nan 0.000 0.517 319 W N 3.194 124.443 121.300 -0.085 0.000 3.316 319 W HA 0.315 4.976 4.660 0.002 0.000 0.258 319 W C 0.388 176.776 176.519 -0.218 0.000 1.330 319 W CA -0.792 56.515 57.345 -0.063 0.000 1.595 319 W CB -0.598 28.911 29.460 0.081 0.000 1.088 319 W HN 0.159 nan 8.180 nan 0.000 0.734 320 R N -0.033 120.337 120.500 -0.216 0.000 2.246 320 R HA 0.393 4.734 4.340 0.002 0.000 0.332 320 R C 1.084 176.794 176.300 -0.984 0.000 0.974 320 R CA -0.276 55.387 56.100 -0.730 0.000 0.837 320 R CB 0.833 31.009 30.300 -0.206 0.000 1.145 320 R HN -0.012 nan 8.270 nan 0.000 0.467 321 G N 1.347 108.930 108.800 -2.028 0.000 3.474 321 G HA2 -0.036 3.925 3.960 0.002 0.000 0.269 321 G HA3 -0.036 3.925 3.960 0.002 0.000 0.269 321 G C 0.639 175.411 174.900 -0.213 0.000 1.339 321 G CA 0.019 44.637 45.100 -0.802 0.000 1.258 321 G HN 0.752 nan 8.290 nan 0.000 0.560 322 S N -1.535 114.081 115.700 -0.140 0.000 3.462 322 S HA -0.222 4.249 4.470 0.002 0.000 0.370 322 S C 0.414 175.057 174.600 0.071 0.000 1.028 322 S CA 0.717 58.928 58.200 0.020 0.000 1.119 322 S CB -2.260 60.930 63.200 -0.016 0.000 0.906 322 S HN 0.380 nan 8.310 nan 0.000 0.471 323 L N 0.108 121.467 121.223 0.226 0.000 2.358 323 L HA 0.423 4.764 4.340 0.002 0.000 0.268 323 L C 1.298 178.143 176.870 -0.041 0.000 1.032 323 L CA -1.107 53.756 54.840 0.037 0.000 0.805 323 L CB 0.682 42.728 42.059 -0.022 0.000 1.253 323 L HN 0.191 nan 8.230 nan 0.000 0.452 324 K N 0.799 121.143 120.400 -0.092 0.000 3.156 324 K HA 0.139 4.460 4.320 0.002 0.000 0.276 324 K C -0.575 175.924 176.600 -0.168 0.000 0.852 324 K CA 0.065 56.287 56.287 -0.108 0.000 1.083 324 K CB -0.314 32.121 32.500 -0.109 0.000 1.018 324 K HN 0.201 nan 8.250 nan 0.000 0.444 325 V N 0.982 120.765 119.914 -0.219 0.000 3.204 325 V HA 0.270 4.391 4.120 0.002 0.000 0.298 325 V C -2.612 173.268 176.094 -0.356 0.000 1.328 325 V CA -2.024 60.091 62.300 -0.308 0.000 1.035 325 V CB 2.705 34.278 31.823 -0.417 0.000 1.095 325 V HN 0.131 nan 8.190 nan 0.000 0.442 326 P HA 0.301 nan 4.420 nan 0.000 0.286 326 P C -1.495 175.618 177.300 -0.311 0.000 1.269 326 P CA -0.129 62.861 63.100 -0.183 0.000 0.787 326 P CB 0.397 32.031 31.700 -0.110 0.000 0.920 327 Y N 2.047 122.258 120.300 -0.150 0.000 2.594 327 Y HA 0.144 4.695 4.550 0.002 0.000 0.344 327 Y C 1.070 176.929 175.900 -0.068 0.000 1.185 327 Y CA 0.184 58.151 58.100 -0.222 0.000 1.565 327 Y CB -0.437 37.849 38.460 -0.291 0.000 1.415 327 Y HN 0.212 nan 8.280 nan 0.000 0.488 328 N N 1.605 120.306 118.700 0.002 0.000 2.438 328 N HA 0.206 4.947 4.740 0.002 0.000 0.282 328 N C 0.637 176.279 175.510 0.220 0.000 1.037 328 N CA -0.119 52.987 53.050 0.094 0.000 0.942 328 N CB 2.237 40.744 38.487 0.033 0.000 1.136 328 N HN 0.294 nan 8.380 nan 0.000 0.481 329 V N 1.551 121.625 119.914 0.267 0.000 2.278 329 V HA 0.040 4.161 4.120 0.002 0.000 0.238 329 V C 1.544 177.775 176.094 0.229 0.000 1.039 329 V CA 0.894 63.395 62.300 0.336 0.000 1.017 329 V CB -1.122 30.845 31.823 0.241 0.000 0.657 329 V HN 0.837 nan 8.190 nan 0.000 0.462 330 G N 2.110 111.001 108.800 0.151 0.000 2.754 330 G HA2 -0.091 3.870 3.960 0.002 0.000 0.228 330 G HA3 -0.091 3.870 3.960 0.002 0.000 0.228 330 G C -2.444 172.536 174.900 0.133 0.000 1.016 330 G CA -0.321 44.852 45.100 0.122 0.000 0.898 330 G HN 0.345 nan 8.290 nan 0.000 0.463 331 P HA 0.242 nan 4.420 nan 0.000 0.269 331 P C 1.198 178.542 177.300 0.073 0.000 1.211 331 P CA 1.278 64.429 63.100 0.085 0.000 0.781 331 P CB 0.234 31.970 31.700 0.060 0.000 0.877 332 G N 0.579 109.381 108.800 0.004 0.000 2.681 332 G HA2 -0.246 3.715 3.960 0.002 0.000 0.320 332 G HA3 -0.246 3.715 3.960 0.002 0.000 0.320 332 G C -0.417 174.571 174.900 0.146 0.000 1.339 332 G CA -0.434 44.605 45.100 -0.102 0.000 0.916 332 G HN 0.419 nan 8.290 nan 0.000 0.559 333 F N -0.224 119.761 119.950 0.058 0.000 2.518 333 F HA 0.717 5.245 4.527 0.002 0.000 0.338 333 F C 1.162 177.010 175.800 0.080 0.000 1.065 333 F CA -0.398 57.634 58.000 0.053 0.000 1.012 333 F CB 2.359 41.406 39.000 0.078 0.000 1.297 333 F HN 0.811 nan 8.300 nan 0.000 0.489 334 T N -1.949 112.783 114.554 0.297 0.000 2.907 334 T HA 0.758 5.109 4.350 0.002 0.000 0.290 334 T C 0.101 174.942 174.700 0.234 0.000 1.066 334 T CA -0.215 62.006 62.100 0.202 0.000 1.012 334 T CB 1.358 70.299 68.868 0.121 0.000 1.184 334 T HN 1.232 nan 8.240 nan 0.000 0.522 335 G N 1.821 110.715 108.800 0.157 0.000 2.550 335 G HA2 -0.367 3.594 3.960 0.002 0.000 0.277 335 G HA3 -0.367 3.594 3.960 0.002 0.000 0.277 335 G C 0.868 175.827 174.900 0.098 0.000 1.190 335 G CA 0.500 45.680 45.100 0.132 0.000 0.971 335 G HN 1.007 nan 8.290 nan 0.000 0.559 336 N N 0.406 119.123 118.700 0.028 0.000 2.430 336 N HA -0.052 4.689 4.740 0.002 0.000 0.186 336 N C 0.360 175.662 175.510 -0.347 0.000 1.032 336 N CA 1.227 54.144 53.050 -0.222 0.000 0.893 336 N CB -0.270 37.971 38.487 -0.410 0.000 0.957 336 N HN 0.379 nan 8.380 nan 0.000 0.442 337 F N -0.066 119.924 119.950 0.067 0.000 2.291 337 F HA 0.322 4.850 4.527 0.002 0.000 0.368 337 F C 1.184 177.082 175.800 0.164 0.000 1.085 337 F CA -0.565 57.518 58.000 0.139 0.000 1.165 337 F CB 1.494 40.596 39.000 0.171 0.000 1.429 337 F HN -0.200 nan 8.300 nan 0.000 0.503 338 S N 0.452 116.281 115.700 0.215 0.000 2.882 338 S HA -0.009 4.462 4.470 0.002 0.000 0.258 338 S C 1.694 176.344 174.600 0.084 0.000 1.081 338 S CA 0.420 58.705 58.200 0.143 0.000 0.886 338 S CB 0.103 63.354 63.200 0.085 0.000 0.855 338 S HN 0.502 nan 8.310 nan 0.000 0.467 339 T N 2.750 117.346 114.554 0.071 0.000 3.113 339 T HA 0.191 4.542 4.350 0.002 0.000 0.256 339 T C 0.369 175.098 174.700 0.048 0.000 1.131 339 T CA 0.300 62.424 62.100 0.040 0.000 1.074 339 T CB -0.052 68.833 68.868 0.029 0.000 0.944 339 T HN 0.307 nan 8.240 nan 0.000 0.516 340 Q N 2.015 121.885 119.800 0.117 0.000 2.311 340 Q HA 0.332 4.673 4.340 0.002 0.000 0.272 340 Q C -0.230 175.680 176.000 -0.149 0.000 1.012 340 Q CA 0.777 56.678 55.803 0.163 0.000 0.891 340 Q CB 0.725 29.817 28.738 0.589 0.000 1.201 340 Q HN 0.427 nan 8.270 nan 0.000 0.391 341 K N 0.425 120.756 120.400 -0.115 0.000 2.542 341 K HA 0.325 4.646 4.320 0.002 0.000 0.259 341 K C -0.804 175.765 176.600 -0.052 0.000 0.932 341 K CA -0.702 55.445 56.287 -0.235 0.000 0.820 341 K CB 2.053 34.474 32.500 -0.133 0.000 1.345 341 K HN 0.467 nan 8.250 nan 0.000 0.432 342 V N -0.642 119.244 119.914 -0.047 0.000 2.649 342 V HA 0.496 4.617 4.120 0.002 0.000 0.292 342 V C -0.295 175.836 176.094 0.061 0.000 1.055 342 V CA -0.265 62.087 62.300 0.085 0.000 1.023 342 V CB 1.116 33.022 31.823 0.138 0.000 0.992 342 V HN 0.746 nan 8.190 nan 0.000 0.480 343 K N 4.790 125.251 120.400 0.101 0.000 2.426 343 K HA 0.638 4.959 4.320 0.002 0.000 0.254 343 K C -0.899 175.768 176.600 0.112 0.000 0.936 343 K CA -0.800 55.532 56.287 0.075 0.000 0.801 343 K CB 1.838 34.404 32.500 0.110 0.000 1.139 343 K HN 0.902 nan 8.250 nan 0.000 0.424 344 M N 3.751 123.344 119.600 -0.013 0.000 2.264 344 M HA 0.274 4.755 4.480 0.002 0.000 0.352 344 M C -0.492 175.673 176.300 -0.224 0.000 1.173 344 M CA -0.423 54.847 55.300 -0.050 0.000 1.075 344 M CB 1.292 33.862 32.600 -0.050 0.000 1.621 344 M HN 0.434 nan 8.290 nan 0.000 0.457 345 H N 4.567 123.314 119.070 -0.539 0.000 2.786 345 H HA 0.489 5.046 4.556 0.002 0.000 0.284 345 H C -1.104 173.769 175.328 -0.758 0.000 1.104 345 H CA -0.368 55.240 56.048 -0.733 0.000 1.339 345 H CB 1.009 30.026 29.762 -1.241 0.000 1.427 345 H HN 0.562 nan 8.280 nan 0.000 0.497 346 I N 4.006 124.273 120.570 -0.505 0.000 2.418 346 I HA 0.139 4.310 4.170 0.002 0.000 0.287 346 I C -0.186 175.748 176.117 -0.306 0.000 1.008 346 I CA -0.675 60.425 61.300 -0.332 0.000 1.104 346 I CB 1.378 39.337 38.000 -0.068 0.000 1.264 346 I HN 0.583 nan 8.210 nan 0.000 0.438 347 H N 4.074 123.165 119.070 0.035 0.000 2.551 347 H HA 0.378 4.935 4.556 0.002 0.000 0.238 347 H C -0.485 174.863 175.328 0.032 0.000 1.345 347 H CA -0.363 55.712 56.048 0.045 0.000 1.105 347 H CB 0.558 30.372 29.762 0.086 0.000 1.805 347 H HN 0.350 nan 8.280 nan 0.000 0.553 348 S N 1.231 116.991 115.700 0.099 0.000 2.617 348 S HA 0.520 4.991 4.470 0.002 0.000 0.283 348 S C 0.636 175.263 174.600 0.045 0.000 1.189 348 S CA -0.616 57.608 58.200 0.039 0.000 1.036 348 S CB 1.882 65.080 63.200 -0.003 0.000 1.014 348 S HN 0.532 nan 8.310 nan 0.000 0.522 349 T N 0.225 114.793 114.554 0.023 0.000 2.887 349 T HA 0.504 4.855 4.350 0.002 0.000 0.288 349 T C -0.863 173.837 174.700 -0.001 0.000 1.021 349 T CA -1.111 61.005 62.100 0.027 0.000 1.000 349 T CB 0.779 69.666 68.868 0.032 0.000 1.034 349 T HN 0.417 nan 8.240 nan 0.000 0.467 350 N N 2.341 121.046 118.700 0.008 0.000 2.426 350 N HA 0.357 5.098 4.740 0.002 0.000 0.275 350 N C -0.585 174.925 175.510 -0.001 0.000 1.019 350 N CA -0.400 52.640 53.050 -0.017 0.000 0.941 350 N CB 1.629 40.157 38.487 0.069 0.000 1.123 350 N HN 0.696 nan 8.380 nan 0.000 0.486 351 E N 0.534 120.718 120.200 -0.027 0.000 2.293 351 E HA 0.316 4.667 4.350 0.002 0.000 0.270 351 E C -0.691 175.903 176.600 -0.010 0.000 0.879 351 E CA -0.909 55.495 56.400 0.006 0.000 0.756 351 E CB 2.506 32.239 29.700 0.054 0.000 1.208 351 E HN 0.164 nan 8.360 nan 0.000 0.428 352 V N 2.534 122.445 119.914 -0.004 0.000 2.415 352 V HA 0.153 4.274 4.120 0.002 0.000 0.267 352 V C 0.011 176.094 176.094 -0.018 0.000 1.042 352 V CA 0.095 62.386 62.300 -0.014 0.000 1.000 352 V CB 0.327 32.139 31.823 -0.018 0.000 1.015 352 V HN 0.629 nan 8.190 nan 0.000 0.478 353 T N 4.979 119.515 114.554 -0.031 0.000 2.856 353 T HA 0.501 4.852 4.350 0.002 0.000 0.283 353 T C 0.011 174.673 174.700 -0.064 0.000 1.008 353 T CA -0.677 61.405 62.100 -0.030 0.000 0.997 353 T CB 1.658 70.525 68.868 -0.003 0.000 0.992 353 T HN 0.689 nan 8.240 nan 0.000 0.454 354 R N 3.008 123.450 120.500 -0.097 0.000 2.442 354 R HA 0.483 4.824 4.340 0.002 0.000 0.291 354 R C -0.247 175.915 176.300 -0.231 0.000 1.069 354 R CA -0.240 55.732 56.100 -0.214 0.000 1.022 354 R CB -0.185 29.929 30.300 -0.310 0.000 0.976 354 R HN 0.721 nan 8.270 nan 0.000 0.443 355 I N 0.619 121.015 120.570 -0.290 0.000 2.785 355 I HA 0.534 4.705 4.170 0.002 0.000 0.302 355 I C -1.378 174.562 176.117 -0.295 0.000 1.069 355 I CA -1.346 59.882 61.300 -0.120 0.000 1.045 355 I CB 2.078 40.098 38.000 0.034 0.000 1.236 355 I HN 0.482 nan 8.210 nan 0.000 0.429 356 Y N 2.091 122.402 120.300 0.018 0.000 2.425 356 Y HA 0.522 5.073 4.550 0.002 0.000 0.344 356 Y C -0.414 175.529 175.900 0.072 0.000 0.969 356 Y CA -0.943 57.179 58.100 0.036 0.000 1.052 356 Y CB 1.686 40.152 38.460 0.011 0.000 1.215 356 Y HN 0.492 nan 8.280 nan 0.000 0.451 357 N N 1.434 120.257 118.700 0.205 0.000 2.372 357 N HA 0.439 5.180 4.740 0.002 0.000 0.285 357 N C -1.292 174.213 175.510 -0.008 0.000 1.008 357 N CA -0.488 52.626 53.050 0.107 0.000 0.880 357 N CB 2.448 41.035 38.487 0.167 0.000 1.239 357 N HN 0.323 nan 8.380 nan 0.000 0.484 358 V N 3.748 123.590 119.914 -0.120 0.000 2.461 358 V HA 0.406 4.527 4.120 0.002 0.000 0.275 358 V C 0.466 176.512 176.094 -0.080 0.000 1.047 358 V CA -0.327 61.887 62.300 -0.144 0.000 0.955 358 V CB 0.796 32.386 31.823 -0.388 0.000 0.988 358 V HN 0.480 nan 8.190 nan 0.000 0.471 359 I N 4.719 125.305 120.570 0.027 0.000 2.466 359 I HA 0.408 4.579 4.170 0.002 0.000 0.279 359 I C 0.756 176.999 176.117 0.210 0.000 1.033 359 I CA -0.203 61.123 61.300 0.044 0.000 1.123 359 I CB 1.502 39.454 38.000 -0.078 0.000 1.237 359 I HN 0.714 nan 8.210 nan 0.000 0.460 360 G N 3.762 112.785 108.800 0.370 0.000 2.420 360 G HA2 0.594 4.555 3.960 0.002 0.000 0.284 360 G HA3 0.594 4.555 3.960 0.002 0.000 0.284 360 G C -0.459 174.551 174.900 0.183 0.000 1.177 360 G CA -0.018 45.273 45.100 0.318 0.000 0.841 360 G HN 0.446 nan 8.290 nan 0.000 0.527 361 T N 1.029 115.673 114.554 0.149 0.000 2.921 361 T HA 0.393 4.744 4.350 0.002 0.000 0.297 361 T C -1.111 173.631 174.700 0.070 0.000 1.013 361 T CA -0.353 61.785 62.100 0.064 0.000 0.990 361 T CB 1.662 70.549 68.868 0.031 0.000 1.023 361 T HN 0.370 nan 8.240 nan 0.000 0.447 362 L N 3.742 124.973 121.223 0.014 0.000 2.353 362 L HA 0.499 4.840 4.340 0.002 0.000 0.270 362 L C 0.309 177.132 176.870 -0.077 0.000 1.003 362 L CA -0.631 54.210 54.840 0.003 0.000 0.862 362 L CB 0.812 42.891 42.059 0.033 0.000 1.221 362 L HN 0.565 nan 8.230 nan 0.000 0.430 363 R N 2.964 123.433 120.500 -0.051 0.000 2.537 363 R HA 0.258 4.599 4.340 0.002 0.000 0.281 363 R C 0.433 176.660 176.300 -0.121 0.000 0.988 363 R CA 0.674 56.739 56.100 -0.058 0.000 1.077 363 R CB 0.350 30.631 30.300 -0.031 0.000 0.932 363 R HN 0.863 nan 8.270 nan 0.000 0.409 364 G N 1.703 110.438 108.800 -0.108 0.000 2.683 364 G HA2 0.292 4.253 3.960 0.002 0.000 0.260 364 G HA3 0.292 4.253 3.960 0.002 0.000 0.260 364 G C 0.351 175.152 174.900 -0.165 0.000 1.238 364 G CA 0.091 45.092 45.100 -0.166 0.000 0.934 364 G HN 0.772 nan 8.290 nan 0.000 0.534 365 A N -1.403 121.298 122.820 -0.198 0.000 2.055 365 A HA 0.434 4.755 4.320 0.002 0.000 0.205 365 A C 1.872 179.387 177.584 -0.115 0.000 1.235 365 A CA 1.179 53.115 52.037 -0.167 0.000 0.822 365 A CB 0.255 19.121 19.000 -0.224 0.000 0.903 365 A HN 0.492 nan 8.150 nan 0.000 0.473 366 V N -0.421 119.425 119.914 -0.114 0.000 2.840 366 V HA 0.106 4.227 4.120 0.002 0.000 0.234 366 V C 0.506 176.560 176.094 -0.068 0.000 1.159 366 V CA 0.461 62.712 62.300 -0.080 0.000 1.194 366 V CB -0.265 31.511 31.823 -0.078 0.000 0.971 366 V HN 0.440 nan 8.190 nan 0.000 0.494 367 E N 1.200 121.353 120.200 -0.079 0.000 2.490 367 E HA 0.210 4.561 4.350 0.002 0.000 0.232 367 E C -2.116 174.446 176.600 -0.064 0.000 1.091 367 E CA -1.533 54.825 56.400 -0.071 0.000 1.050 367 E CB 1.082 30.735 29.700 -0.080 0.000 1.342 367 E HN 0.417 nan 8.360 nan 0.000 0.454 368 P HA -0.144 nan 4.420 nan 0.000 0.230 368 P C 0.745 178.072 177.300 0.045 0.000 1.158 368 P CA 0.911 64.016 63.100 0.009 0.000 0.769 368 P CB 0.192 31.897 31.700 0.009 0.000 0.807 369 D N -1.904 118.462 120.400 -0.057 0.000 2.340 369 D HA -0.027 4.614 4.640 0.002 0.000 0.220 369 D C 0.412 176.453 176.300 -0.432 0.000 1.039 369 D CA 0.329 54.221 54.000 -0.180 0.000 0.866 369 D CB -0.003 40.726 40.800 -0.119 0.000 0.913 369 D HN 0.082 nan 8.370 nan 0.000 0.523 370 R N 0.780 121.112 120.500 -0.280 0.000 2.295 370 R HA 0.321 4.662 4.340 0.002 0.000 0.324 370 R C -0.813 175.423 176.300 -0.107 0.000 0.968 370 R CA -0.549 55.379 56.100 -0.287 0.000 0.837 370 R CB 1.071 31.273 30.300 -0.163 0.000 1.133 370 R HN 0.179 nan 8.270 nan 0.000 0.450 371 Y N 1.314 121.587 120.300 -0.045 0.000 2.330 371 Y HA 0.399 4.949 4.550 0.002 0.000 0.336 371 Y C 0.428 176.304 175.900 -0.040 0.000 1.036 371 Y CA -1.263 56.813 58.100 -0.039 0.000 1.125 371 Y CB 2.029 40.499 38.460 0.018 0.000 1.194 371 Y HN 0.103 nan 8.280 nan 0.000 0.469 372 V N 5.743 125.710 119.914 0.088 0.000 2.378 372 V HA 0.313 4.434 4.120 0.002 0.000 0.288 372 V C -0.377 175.683 176.094 -0.057 0.000 1.016 372 V CA -0.698 61.609 62.300 0.011 0.000 0.840 372 V CB 1.137 32.921 31.823 -0.064 0.000 0.994 372 V HN 0.535 nan 8.190 nan 0.000 0.431 373 I N 5.968 126.552 120.570 0.023 0.000 2.377 373 I HA 0.474 4.645 4.170 0.002 0.000 0.293 373 I C -0.433 175.678 176.117 -0.011 0.000 0.987 373 I CA -0.915 60.398 61.300 0.021 0.000 1.185 373 I CB 1.567 39.700 38.000 0.222 0.000 1.341 373 I HN 0.426 nan 8.210 nan 0.000 0.455 374 L N 5.990 127.167 121.223 -0.077 0.000 2.316 374 L HA 0.886 5.227 4.340 0.002 0.000 0.280 374 L C -0.227 176.724 176.870 0.134 0.000 1.006 374 L CA 0.247 55.087 54.840 -0.000 0.000 0.836 374 L CB 1.259 43.384 42.059 0.110 0.000 1.221 374 L HN 0.725 nan 8.230 nan 0.000 0.418 375 G N 2.256 111.179 108.800 0.205 0.000 2.696 375 G HA2 0.754 4.715 3.960 0.002 0.000 0.295 375 G HA3 0.754 4.715 3.960 0.002 0.000 0.295 375 G C -1.230 173.991 174.900 0.536 0.000 1.398 375 G CA -0.280 45.068 45.100 0.414 0.000 0.920 375 G HN 0.932 nan 8.290 nan 0.000 0.492 376 G N -0.503 108.569 108.800 0.453 0.000 2.698 376 G HA2 0.636 4.597 3.960 0.002 0.000 0.293 376 G HA3 0.636 4.597 3.960 0.002 0.000 0.293 376 G C -0.833 174.364 174.900 0.496 0.000 1.437 376 G CA -0.691 44.726 45.100 0.529 0.000 0.852 376 G HN 1.225 nan 8.290 nan 0.000 0.499 377 H N -0.753 118.564 119.070 0.411 0.000 2.607 377 H HA 0.649 5.206 4.556 0.002 0.000 0.367 377 H C 1.112 176.531 175.328 0.153 0.000 1.181 377 H CA -0.528 55.703 56.048 0.305 0.000 1.402 377 H CB 1.611 31.535 29.762 0.271 0.000 1.474 377 H HN 0.506 nan 8.280 nan 0.000 0.596 378 R N 1.692 122.242 120.500 0.083 0.000 2.310 378 R HA -0.029 4.312 4.340 0.002 0.000 0.199 378 R C -0.548 175.729 176.300 -0.039 0.000 0.891 378 R CA 0.328 56.361 56.100 -0.112 0.000 1.060 378 R CB -0.054 30.127 30.300 -0.198 0.000 1.188 378 R HN 0.969 nan 8.270 nan 0.000 0.607 379 D N 2.753 123.227 120.400 0.122 0.000 2.487 379 D HA -0.020 4.621 4.640 0.002 0.000 0.243 379 D C -0.395 175.975 176.300 0.118 0.000 1.154 379 D CA 0.272 54.347 54.000 0.125 0.000 0.876 379 D CB 1.102 41.990 40.800 0.147 0.000 1.161 379 D HN 0.276 nan 8.370 nan 0.000 0.478 380 S N 1.849 117.565 115.700 0.027 0.000 2.798 380 S HA 0.409 4.880 4.470 0.002 0.000 0.312 380 S C 0.401 174.871 174.600 -0.216 0.000 1.122 380 S CA -1.001 57.175 58.200 -0.039 0.000 0.949 380 S CB 0.944 64.176 63.200 0.053 0.000 1.235 380 S HN 0.733 nan 8.310 nan 0.000 0.552 381 W N -0.507 120.700 121.300 -0.155 0.000 2.762 381 W HA 0.244 4.906 4.660 0.002 0.000 0.265 381 W C 1.613 178.008 176.519 -0.207 0.000 1.263 381 W CA 0.745 57.951 57.345 -0.232 0.000 1.411 381 W CB 0.457 29.653 29.460 -0.439 0.000 1.065 381 W HN 0.665 nan 8.180 nan 0.000 0.609 382 V N -6.102 113.779 119.914 -0.054 0.000 5.003 382 V HA 0.283 4.404 4.120 0.002 0.000 0.132 382 V C 0.713 176.429 176.094 -0.630 0.000 1.227 382 V CA 0.092 62.158 62.300 -0.390 0.000 1.094 382 V CB -0.173 31.379 31.823 -0.452 0.000 1.358 382 V HN -0.053 nan 8.190 nan 0.000 0.637 383 F N 1.687 121.603 119.950 -0.057 0.000 2.640 383 F HA 0.730 5.258 4.527 0.002 0.000 0.285 383 F C 1.753 177.574 175.800 0.036 0.000 1.031 383 F CA 0.731 58.697 58.000 -0.058 0.000 1.240 383 F CB 0.842 39.760 39.000 -0.137 0.000 1.011 383 F HN 0.597 nan 8.300 nan 0.000 0.656 384 G N 1.048 109.966 108.800 0.197 0.000 2.303 384 G HA2 -0.174 3.787 3.960 0.002 0.000 0.260 384 G HA3 -0.174 3.787 3.960 0.002 0.000 0.260 384 G C 1.102 176.112 174.900 0.184 0.000 1.106 384 G CA 0.092 45.292 45.100 0.168 0.000 0.900 384 G HN 0.684 nan 8.290 nan 0.000 0.495 385 G N -0.269 108.621 108.800 0.150 0.000 2.553 385 G HA2 -0.124 3.837 3.960 0.002 0.000 0.218 385 G HA3 -0.124 3.837 3.960 0.002 0.000 0.218 385 G C 1.647 176.598 174.900 0.086 0.000 1.195 385 G CA 1.656 46.826 45.100 0.115 0.000 0.779 385 G HN 0.710 nan 8.290 nan 0.000 0.577 386 I N -0.232 120.347 120.570 0.014 0.000 3.649 386 I HA 0.148 4.319 4.170 0.002 0.000 0.234 386 I C 0.461 176.648 176.117 0.116 0.000 1.053 386 I CA -0.098 61.187 61.300 -0.025 0.000 1.538 386 I CB -0.275 37.547 38.000 -0.297 0.000 1.445 386 I HN 0.008 nan 8.210 nan 0.000 0.464 387 D N 3.397 123.931 120.400 0.223 0.000 2.346 387 D HA 0.062 4.703 4.640 0.002 0.000 0.260 387 D C -1.898 174.499 176.300 0.161 0.000 1.252 387 D CA -1.845 52.319 54.000 0.274 0.000 0.895 387 D CB 1.102 42.179 40.800 0.462 0.000 1.097 387 D HN 0.076 nan 8.370 nan 0.000 0.489 388 P HA 0.048 nan 4.420 nan 0.000 0.295 388 P C 1.020 178.315 177.300 -0.008 0.000 1.274 388 P CA -0.006 63.011 63.100 -0.140 0.000 0.943 388 P CB 0.791 31.948 31.700 -0.906 0.000 1.462 389 Q N 0.876 120.721 119.800 0.075 0.000 2.217 389 Q HA -0.155 4.186 4.340 0.002 0.000 0.209 389 Q C 2.339 178.516 176.000 0.296 0.000 0.988 389 Q CA 2.095 58.026 55.803 0.213 0.000 0.878 389 Q CB -1.507 27.412 28.738 0.302 0.000 0.909 389 Q HN 0.197 nan 8.270 nan 0.000 0.424 390 S N -1.362 114.486 115.700 0.247 0.000 2.469 390 S HA -0.088 4.383 4.470 0.002 0.000 0.238 390 S C 1.615 176.344 174.600 0.216 0.000 0.998 390 S CA 1.279 59.653 58.200 0.291 0.000 0.957 390 S CB -0.214 63.089 63.200 0.172 0.000 0.764 390 S HN 0.549 nan 8.310 nan 0.000 0.514 391 G N -0.137 108.770 108.800 0.178 0.000 2.641 391 G HA2 0.355 4.316 3.960 0.002 0.000 0.207 391 G HA3 0.355 4.316 3.960 0.002 0.000 0.207 391 G C 1.596 176.629 174.900 0.221 0.000 1.137 391 G CA 0.475 45.674 45.100 0.165 0.000 0.824 391 G HN 0.563 nan 8.290 nan 0.000 0.547 392 A N 1.365 124.312 122.820 0.212 0.000 1.986 392 A HA 0.197 4.518 4.320 0.002 0.000 0.220 392 A C 2.694 180.529 177.584 0.418 0.000 1.171 392 A CA 2.352 54.530 52.037 0.234 0.000 0.640 392 A CB -0.612 18.414 19.000 0.044 0.000 0.811 392 A HN 0.742 nan 8.150 nan 0.000 0.451 393 A N -0.586 122.528 122.820 0.490 0.000 1.897 393 A HA 0.076 4.397 4.320 0.002 0.000 0.215 393 A C 2.210 180.063 177.584 0.448 0.000 1.181 393 A CA 1.589 53.931 52.037 0.509 0.000 0.620 393 A CB -0.848 18.432 19.000 0.467 0.000 0.821 393 A HN 0.402 nan 8.150 nan 0.000 0.443 394 V N -0.289 119.842 119.914 0.361 0.000 2.255 394 V HA -0.257 3.864 4.120 0.002 0.000 0.247 394 V C 2.531 178.777 176.094 0.253 0.000 1.051 394 V CA 2.035 64.501 62.300 0.277 0.000 1.018 394 V CB -1.173 30.772 31.823 0.203 0.000 0.641 394 V HN 0.340 nan 8.190 nan 0.000 0.445 395 V N -0.244 119.831 119.914 0.269 0.000 2.231 395 V HA -0.372 3.749 4.120 0.002 0.000 0.248 395 V C 2.459 178.682 176.094 0.215 0.000 1.054 395 V CA 2.624 65.075 62.300 0.252 0.000 1.015 395 V CB -0.974 31.029 31.823 0.299 0.000 0.638 395 V HN 0.656 nan 8.190 nan 0.000 0.444 396 H N -0.449 118.747 119.070 0.210 0.000 2.321 396 H HA -0.264 4.293 4.556 0.002 0.000 0.295 396 H C 2.479 177.798 175.328 -0.014 0.000 1.102 396 H CA 2.445 58.582 56.048 0.148 0.000 1.266 396 H CB 0.186 29.937 29.762 -0.019 0.000 1.363 396 H HN 0.545 nan 8.280 nan 0.000 0.492 397 E N 0.817 121.144 120.200 0.211 0.000 2.072 397 E HA -0.101 4.250 4.350 0.002 0.000 0.191 397 E C 2.479 179.035 176.600 -0.073 0.000 0.985 397 E CA 1.077 57.584 56.400 0.178 0.000 0.801 397 E CB -0.482 29.366 29.700 0.246 0.000 0.750 397 E HN 0.521 nan 8.360 nan 0.000 0.452 398 I N -0.080 120.476 120.570 -0.023 0.000 2.194 398 I HA -0.292 3.879 4.170 0.002 0.000 0.246 398 I C 2.126 178.203 176.117 -0.066 0.000 1.093 398 I CA 1.012 62.303 61.300 -0.015 0.000 1.355 398 I CB -0.204 37.901 38.000 0.174 0.000 1.046 398 I HN 0.088 nan 8.210 nan 0.000 0.413 399 V N 0.371 120.114 119.914 -0.285 0.000 2.270 399 V HA -0.243 3.878 4.120 0.002 0.000 0.245 399 V C 2.610 178.527 176.094 -0.295 0.000 1.043 399 V CA 1.588 63.540 62.300 -0.580 0.000 1.014 399 V CB -0.853 30.315 31.823 -1.092 0.000 0.645 399 V HN 0.399 nan 8.190 nan 0.000 0.447 400 R N 0.215 120.426 120.500 -0.481 0.000 2.119 400 R HA -0.226 4.115 4.340 0.002 0.000 0.246 400 R C 2.649 178.743 176.300 -0.343 0.000 1.146 400 R CA 2.259 57.852 56.100 -0.845 0.000 0.962 400 R CB -0.777 28.755 30.300 -1.281 0.000 0.863 400 R HN 0.536 nan 8.270 nan 0.000 0.442 401 S N -0.451 115.101 115.700 -0.246 0.000 2.338 401 S HA -0.097 4.374 4.470 0.002 0.000 0.218 401 S C 2.013 176.666 174.600 0.089 0.000 1.032 401 S CA 1.208 59.304 58.200 -0.173 0.000 0.999 401 S CB -0.407 62.535 63.200 -0.430 0.000 0.905 401 S HN 0.421 nan 8.310 nan 0.000 0.439 402 F N 1.611 121.740 119.950 0.297 0.000 2.120 402 F HA -0.081 4.447 4.527 0.002 0.000 0.300 402 F C 2.634 178.580 175.800 0.242 0.000 1.095 402 F CA 0.786 58.981 58.000 0.325 0.000 1.249 402 F CB -0.769 38.451 39.000 0.367 0.000 0.995 402 F HN 0.421 nan 8.300 nan 0.000 0.480 403 G N -0.738 108.249 108.800 0.311 0.000 2.459 403 G HA2 -0.272 3.689 3.960 0.002 0.000 0.217 403 G HA3 -0.272 3.689 3.960 0.002 0.000 0.217 403 G C 1.612 176.635 174.900 0.205 0.000 1.183 403 G CA 1.489 46.731 45.100 0.237 0.000 0.776 403 G HN 0.250 nan 8.290 nan 0.000 0.552 404 T N 0.971 115.594 114.554 0.115 0.000 2.685 404 T HA -0.115 4.236 4.350 0.002 0.000 0.268 404 T C 2.319 177.094 174.700 0.125 0.000 1.034 404 T CA 1.119 63.264 62.100 0.075 0.000 1.149 404 T CB -0.202 68.656 68.868 -0.016 0.000 0.860 404 T HN 0.133 nan 8.240 nan 0.000 0.449 405 L N 0.162 121.493 121.223 0.180 0.000 2.156 405 L HA 0.007 4.348 4.340 0.002 0.000 0.208 405 L C 2.730 179.849 176.870 0.414 0.000 1.095 405 L CA 1.112 56.078 54.840 0.210 0.000 0.770 405 L CB -0.267 41.837 42.059 0.076 0.000 0.914 405 L HN 0.170 nan 8.230 nan 0.000 0.439 406 K N 0.397 121.073 120.400 0.461 0.000 2.097 406 K HA -0.181 4.140 4.320 0.002 0.000 0.205 406 K C 1.988 178.751 176.600 0.272 0.000 1.050 406 K CA 1.170 57.709 56.287 0.419 0.000 0.938 406 K CB 0.143 32.831 32.500 0.313 0.000 0.718 406 K HN 0.231 nan 8.250 nan 0.000 0.442 407 K N 0.575 121.106 120.400 0.218 0.000 2.209 407 K HA -0.124 4.197 4.320 0.002 0.000 0.204 407 K C 1.499 178.190 176.600 0.150 0.000 1.048 407 K CA 1.199 57.581 56.287 0.159 0.000 0.940 407 K CB 0.062 32.643 32.500 0.134 0.000 0.729 407 K HN 0.264 nan 8.250 nan 0.000 0.451 408 E N -0.220 120.086 120.200 0.176 0.000 2.511 408 E HA -0.006 4.345 4.350 0.002 0.000 0.196 408 E C 0.330 177.043 176.600 0.188 0.000 1.066 408 E CA 0.232 56.730 56.400 0.163 0.000 0.871 408 E CB 0.301 30.098 29.700 0.163 0.000 0.863 408 E HN 0.446 nan 8.360 nan 0.000 0.520 409 G N 1.691 110.617 108.800 0.209 0.000 2.270 409 G HA2 -0.225 3.736 3.960 0.002 0.000 0.224 409 G HA3 -0.225 3.736 3.960 0.002 0.000 0.224 409 G C -0.875 174.181 174.900 0.261 0.000 1.079 409 G CA 0.044 45.257 45.100 0.189 0.000 0.807 409 G HN 0.281 nan 8.290 nan 0.000 0.492 410 W N 0.693 122.047 121.300 0.091 0.000 2.950 410 W HA 0.828 5.489 4.660 0.002 0.000 0.340 410 W C -0.381 176.182 176.519 0.074 0.000 1.139 410 W CA -1.266 56.134 57.345 0.092 0.000 1.188 410 W CB 1.278 30.826 29.460 0.147 0.000 1.426 410 W HN 0.261 nan 8.180 nan 0.000 0.531 411 R N 3.494 123.347 120.500 -1.077 0.000 2.740 411 R HA 0.446 4.787 4.340 0.002 0.000 0.273 411 R C -2.711 172.535 176.300 -1.757 0.000 0.998 411 R CA -1.961 53.411 56.100 -1.213 0.000 0.900 411 R CB 1.838 31.820 30.300 -0.530 0.000 1.223 411 R HN 0.183 nan 8.270 nan 0.000 0.466 412 P HA 0.172 nan 4.420 nan 0.000 0.274 412 P C 0.006 177.007 177.300 -0.497 0.000 1.231 412 P CA -0.501 62.091 63.100 -0.846 0.000 0.790 412 P CB 0.927 32.267 31.700 -0.600 0.000 0.951 413 R N 1.667 121.964 120.500 -0.337 0.000 2.082 413 R HA -0.085 4.256 4.340 0.002 0.000 0.234 413 R C 0.683 176.862 176.300 -0.201 0.000 1.136 413 R CA 1.491 57.456 56.100 -0.225 0.000 0.935 413 R CB -0.021 30.184 30.300 -0.160 0.000 0.842 413 R HN 0.402 nan 8.270 nan 0.000 0.430 414 R N -0.290 120.091 120.500 -0.197 0.000 2.553 414 R HA 0.206 4.547 4.340 0.002 0.000 0.263 414 R C -0.535 175.667 176.300 -0.163 0.000 1.066 414 R CA -0.381 55.629 56.100 -0.150 0.000 1.135 414 R CB 1.430 31.653 30.300 -0.129 0.000 1.148 414 R HN 0.090 nan 8.270 nan 0.000 0.558 415 T N 1.988 116.500 114.554 -0.069 0.000 2.897 415 T HA 0.317 4.668 4.350 0.002 0.000 0.294 415 T C 0.231 174.851 174.700 -0.133 0.000 1.004 415 T CA -0.066 61.995 62.100 -0.065 0.000 1.106 415 T CB 0.379 69.304 68.868 0.096 0.000 0.949 415 T HN 0.251 nan 8.240 nan 0.000 0.520 416 I N 3.545 123.955 120.570 -0.268 0.000 2.404 416 I HA 0.410 4.581 4.170 0.002 0.000 0.293 416 I C -0.496 175.293 176.117 -0.546 0.000 0.992 416 I CA -0.758 60.264 61.300 -0.463 0.000 1.149 416 I CB 1.422 39.002 38.000 -0.699 0.000 1.315 416 I HN 0.307 nan 8.210 nan 0.000 0.446 417 L N 6.355 127.243 121.223 -0.557 0.000 2.341 417 L HA 0.533 4.874 4.340 0.002 0.000 0.278 417 L C -1.144 175.392 176.870 -0.557 0.000 1.005 417 L CA -0.546 54.033 54.840 -0.435 0.000 0.818 417 L CB 1.593 43.513 42.059 -0.232 0.000 1.259 417 L HN 0.396 nan 8.230 nan 0.000 0.418 418 F N 1.892 121.721 119.950 -0.202 0.000 2.458 418 F HA 0.729 5.257 4.527 0.002 0.000 0.336 418 F C 0.411 176.092 175.800 -0.197 0.000 1.114 418 F CA -0.592 57.244 58.000 -0.272 0.000 0.987 418 F CB 1.885 40.501 39.000 -0.640 0.000 1.130 418 F HN 0.431 nan 8.300 nan 0.000 0.458 419 A N 1.491 124.267 122.820 -0.074 0.000 2.401 419 A HA 0.691 5.012 4.320 0.002 0.000 0.310 419 A C -0.752 176.614 177.584 -0.363 0.000 1.075 419 A CA -0.711 51.043 52.037 -0.471 0.000 0.746 419 A CB 1.693 19.783 19.000 -1.516 0.000 1.277 419 A HN 0.570 nan 8.150 nan 0.000 0.425 420 S N 1.813 117.301 115.700 -0.353 0.000 2.406 420 S HA 0.436 4.907 4.470 0.002 0.000 0.224 420 S C -0.808 173.672 174.600 -0.200 0.000 1.426 420 S CA -0.495 57.584 58.200 -0.202 0.000 1.179 420 S CB -0.438 62.628 63.200 -0.223 0.000 1.042 420 S HN 0.509 nan 8.310 nan 0.000 0.479 421 W N 2.414 123.804 121.300 0.149 0.000 2.148 421 W HA 0.314 4.975 4.660 0.002 0.000 0.347 421 W C 0.849 177.454 176.519 0.143 0.000 1.288 421 W CA -0.216 57.216 57.345 0.145 0.000 1.252 421 W CB 0.320 29.895 29.460 0.191 0.000 1.156 421 W HN 0.456 nan 8.180 nan 0.000 0.580 422 D N -0.490 120.151 120.400 0.401 0.000 2.467 422 D HA 0.454 5.095 4.640 0.002 0.000 0.245 422 D C 0.439 176.877 176.300 0.230 0.000 1.038 422 D CA -0.001 54.159 54.000 0.266 0.000 1.038 422 D CB 1.551 42.487 40.800 0.226 0.000 1.278 422 D HN 0.501 nan 8.370 nan 0.000 0.564 423 A N 0.841 123.768 122.820 0.178 0.000 2.822 423 A HA -0.281 4.040 4.320 0.002 0.000 0.279 423 A C 1.605 179.286 177.584 0.162 0.000 1.356 423 A CA 1.763 53.908 52.037 0.181 0.000 0.961 423 A CB -1.793 17.276 19.000 0.115 0.000 0.977 423 A HN 0.629 nan 8.150 nan 0.000 0.650 424 E N 0.284 120.532 120.200 0.079 0.000 2.160 424 E HA -0.218 4.133 4.350 0.002 0.000 0.195 424 E C 1.525 178.043 176.600 -0.136 0.000 0.991 424 E CA 1.629 57.983 56.400 -0.078 0.000 0.810 424 E CB -0.166 29.379 29.700 -0.259 0.000 0.742 424 E HN 0.808 nan 8.360 nan 0.000 0.466 425 E N -0.724 119.360 120.200 -0.193 0.000 2.418 425 E HA -0.108 4.243 4.350 0.002 0.000 0.197 425 E C 1.065 177.524 176.600 -0.235 0.000 1.026 425 E CA 0.346 56.578 56.400 -0.280 0.000 0.862 425 E CB -0.175 29.013 29.700 -0.853 0.000 0.799 425 E HN 0.317 nan 8.360 nan 0.000 0.518 426 F N 0.190 120.125 119.950 -0.026 0.000 2.660 426 F HA 0.288 4.816 4.527 0.002 0.000 0.302 426 F C 1.167 177.049 175.800 0.138 0.000 1.103 426 F CA 0.254 58.361 58.000 0.180 0.000 1.340 426 F CB 1.030 40.131 39.000 0.168 0.000 1.048 426 F HN -0.011 nan 8.300 nan 0.000 0.551 427 G N -0.022 108.855 108.800 0.127 0.000 2.245 427 G HA2 -0.124 3.837 3.960 0.002 0.000 0.116 427 G HA3 -0.124 3.837 3.960 0.002 0.000 0.116 427 G C 0.484 175.350 174.900 -0.057 0.000 1.054 427 G CA -0.403 44.697 45.100 0.001 0.000 0.728 427 G HN 0.264 nan 8.290 nan 0.000 0.483 428 L N -1.646 119.542 121.223 -0.059 0.000 4.436 428 L HA -0.373 3.968 4.340 0.002 0.000 0.436 428 L C 2.516 179.307 176.870 -0.132 0.000 1.128 428 L CA 1.681 56.446 54.840 -0.124 0.000 0.973 428 L CB -1.748 40.193 42.059 -0.198 0.000 1.899 428 L HN 0.507 nan 8.230 nan 0.000 1.002 429 L N -0.903 120.282 121.223 -0.063 0.000 2.058 429 L HA -0.323 4.018 4.340 0.002 0.000 0.226 429 L C 2.622 179.457 176.870 -0.058 0.000 1.089 429 L CA 2.109 56.910 54.840 -0.065 0.000 0.799 429 L CB -1.347 40.723 42.059 0.020 0.000 0.900 429 L HN 0.623 nan 8.230 nan 0.000 0.442 430 G N 0.203 109.035 108.800 0.053 0.000 2.679 430 G HA2 -0.366 3.595 3.960 0.002 0.000 0.217 430 G HA3 -0.366 3.595 3.960 0.002 0.000 0.217 430 G C 1.735 176.703 174.900 0.113 0.000 1.267 430 G CA 1.916 47.131 45.100 0.190 0.000 0.799 430 G HN 0.543 nan 8.290 nan 0.000 0.606 431 S N 0.006 115.605 115.700 -0.167 0.000 2.368 431 S HA -0.219 4.252 4.470 0.002 0.000 0.226 431 S C 2.236 176.446 174.600 -0.650 0.000 1.044 431 S CA 2.601 60.180 58.200 -1.035 0.000 1.062 431 S CB -1.323 60.960 63.200 -1.529 0.000 0.931 431 S HN 0.386 nan 8.310 nan 0.000 0.440 432 T N 2.632 116.877 114.554 -0.516 0.000 2.555 432 T HA -0.134 4.217 4.350 0.002 0.000 0.264 432 T C 1.834 176.292 174.700 -0.403 0.000 1.083 432 T CA 1.675 63.489 62.100 -0.477 0.000 1.179 432 T CB -0.697 67.923 68.868 -0.414 0.000 0.863 432 T HN 0.426 nan 8.240 nan 0.000 0.412 433 E N -0.026 119.932 120.200 -0.403 0.000 2.171 433 E HA -0.172 4.179 4.350 0.002 0.000 0.197 433 E C 1.776 178.004 176.600 -0.620 0.000 0.997 433 E CA 1.014 57.072 56.400 -0.571 0.000 0.810 433 E CB -0.370 28.897 29.700 -0.723 0.000 0.738 433 E HN 0.736 nan 8.360 nan 0.000 0.467 434 W N 1.150 122.152 121.300 -0.497 0.000 2.436 434 W HA -0.031 4.630 4.660 0.001 0.000 0.284 434 W C 2.235 178.729 176.519 -0.043 0.000 1.225 434 W CA 1.850 59.147 57.345 -0.080 0.000 1.271 434 W CB -0.092 29.598 29.460 0.384 0.000 1.114 434 W HN 0.023 nan 8.180 nan 0.000 0.559 435 A N 0.088 122.853 122.820 -0.092 0.000 1.935 435 A HA -0.089 4.232 4.320 0.002 0.000 0.214 435 A C 1.828 179.221 177.584 -0.318 0.000 1.178 435 A CA 1.380 53.254 52.037 -0.270 0.000 0.640 435 A CB -0.665 18.103 19.000 -0.386 0.000 0.825 435 A HN 0.385 nan 8.150 nan 0.000 0.447 436 E N -0.266 119.735 120.200 -0.332 0.000 2.097 436 E HA -0.269 4.082 4.350 0.002 0.000 0.196 436 E C 1.998 178.453 176.600 -0.242 0.000 1.000 436 E CA 1.523 57.740 56.400 -0.306 0.000 0.804 436 E CB -0.135 29.360 29.700 -0.342 0.000 0.740 436 E HN 0.826 nan 8.360 nan 0.000 0.454 437 E N 0.941 120.983 120.200 -0.264 0.000 2.031 437 E HA -0.149 4.202 4.350 0.002 0.000 0.193 437 E C 0.974 177.435 176.600 -0.232 0.000 0.994 437 E CA 1.143 57.425 56.400 -0.198 0.000 0.800 437 E CB 0.026 29.638 29.700 -0.146 0.000 0.752 437 E HN 0.224 nan 8.360 nan 0.000 0.447 438 N N 0.170 118.625 118.700 -0.409 0.000 2.276 438 N HA 0.004 4.745 4.740 0.002 0.000 0.212 438 N C 1.229 176.610 175.510 -0.214 0.000 1.127 438 N CA 0.257 53.087 53.050 -0.368 0.000 0.834 438 N CB 0.507 38.583 38.487 -0.685 0.000 1.014 438 N HN 0.143 nan 8.380 nan 0.000 0.491 439 S N 1.895 117.495 115.700 -0.166 0.000 2.377 439 S HA -0.291 4.180 4.470 0.002 0.000 0.224 439 S C 1.806 176.388 174.600 -0.030 0.000 1.042 439 S CA 0.938 59.088 58.200 -0.084 0.000 1.086 439 S CB -0.465 62.685 63.200 -0.083 0.000 0.995 439 S HN 0.284 nan 8.310 nan 0.000 0.428 440 R N 1.320 121.804 120.500 -0.025 0.000 2.267 440 R HA -0.074 4.267 4.340 0.002 0.000 0.259 440 R C 2.129 178.444 176.300 0.025 0.000 1.192 440 R CA 1.849 57.952 56.100 0.005 0.000 1.013 440 R CB -0.719 29.584 30.300 0.006 0.000 0.877 440 R HN 0.569 nan 8.270 nan 0.000 0.474 441 L N -1.313 119.927 121.223 0.028 0.000 2.349 441 L HA 0.061 4.402 4.340 0.002 0.000 0.200 441 L C 2.003 178.927 176.870 0.090 0.000 1.064 441 L CA 0.274 55.160 54.840 0.077 0.000 0.821 441 L CB -0.441 41.715 42.059 0.162 0.000 1.027 441 L HN 0.060 nan 8.230 nan 0.000 0.476 442 L N 0.206 121.496 121.223 0.111 0.000 2.042 442 L HA -0.234 4.107 4.340 0.002 0.000 0.210 442 L C 2.709 179.629 176.870 0.083 0.000 1.076 442 L CA 1.269 56.202 54.840 0.154 0.000 0.749 442 L CB -0.633 41.542 42.059 0.194 0.000 0.893 442 L HN 0.308 nan 8.230 nan 0.000 0.432 443 Q N 0.479 120.321 119.800 0.071 0.000 2.152 443 Q HA -0.226 4.115 4.340 0.002 0.000 0.206 443 Q C 1.727 177.799 176.000 0.121 0.000 0.985 443 Q CA 1.772 57.624 55.803 0.083 0.000 0.863 443 Q CB 0.077 28.856 28.738 0.069 0.000 0.904 443 Q HN 0.429 nan 8.270 nan 0.000 0.422 444 E N -1.378 118.876 120.200 0.091 0.000 2.511 444 E HA 0.173 4.524 4.350 0.002 0.000 0.209 444 E C 0.977 177.564 176.600 -0.021 0.000 0.986 444 E CA 0.142 56.634 56.400 0.153 0.000 0.974 444 E CB 0.642 30.421 29.700 0.132 0.000 1.030 444 E HN 0.375 nan 8.360 nan 0.000 0.490 445 R N -0.085 120.330 120.500 -0.141 0.000 2.568 445 R HA 0.188 4.529 4.340 0.002 0.000 0.254 445 R C 1.003 177.144 176.300 -0.264 0.000 0.925 445 R CA 0.308 56.209 56.100 -0.331 0.000 1.025 445 R CB 0.868 30.752 30.300 -0.693 0.000 1.428 445 R HN -0.070 nan 8.270 nan 0.000 0.573 446 G N 0.905 109.655 108.800 -0.083 0.000 2.254 446 G HA2 0.170 4.131 3.960 0.002 0.000 0.253 446 G HA3 0.170 4.131 3.960 0.002 0.000 0.253 446 G C 0.722 175.609 174.900 -0.023 0.000 1.246 446 G CA -0.213 44.913 45.100 0.044 0.000 0.946 446 G HN -0.051 nan 8.290 nan 0.000 0.474 447 V N 2.787 122.727 119.914 0.043 0.000 2.490 447 V HA 0.543 4.664 4.120 0.002 0.000 0.238 447 V C 1.410 177.642 176.094 0.229 0.000 1.056 447 V CA 1.830 64.161 62.300 0.053 0.000 1.075 447 V CB -0.325 31.494 31.823 -0.007 0.000 0.746 447 V HN 1.057 nan 8.190 nan 0.000 0.479 448 A N -1.216 121.738 122.820 0.225 0.000 2.604 448 A HA 0.700 5.021 4.320 0.002 0.000 0.295 448 A C -2.170 175.559 177.584 0.242 0.000 1.067 448 A CA -0.331 51.880 52.037 0.289 0.000 0.683 448 A CB 1.397 20.606 19.000 0.349 0.000 1.281 448 A HN 0.262 nan 8.150 nan 0.000 0.407 449 Y N 1.627 121.990 120.300 0.104 0.000 2.326 449 Y HA 0.699 5.250 4.550 0.002 0.000 0.329 449 Y C -1.592 174.360 175.900 0.088 0.000 0.973 449 Y CA -1.267 56.850 58.100 0.028 0.000 1.162 449 Y CB 1.137 39.552 38.460 -0.074 0.000 1.147 449 Y HN 0.500 nan 8.280 nan 0.000 0.456 450 I N 6.092 126.333 120.570 -0.548 0.000 2.330 450 I HA 0.263 4.434 4.170 0.002 0.000 0.289 450 I C -0.214 175.506 176.117 -0.663 0.000 1.001 450 I CA -0.500 60.526 61.300 -0.457 0.000 1.193 450 I CB 1.121 39.036 38.000 -0.142 0.000 1.345 450 I HN 0.674 nan 8.210 nan 0.000 0.461 451 N N 4.459 122.867 118.700 -0.488 0.000 2.513 451 N HA 0.716 5.457 4.740 0.002 0.000 0.274 451 N C -0.648 174.909 175.510 0.078 0.000 1.189 451 N CA -0.246 52.753 53.050 -0.086 0.000 0.975 451 N CB 1.082 39.736 38.487 0.279 0.000 1.157 451 N HN 0.639 nan 8.380 nan 0.000 0.465 452 A N 1.930 124.880 122.820 0.217 0.000 3.300 452 A HA 0.224 4.545 4.320 0.002 0.000 0.300 452 A C -0.641 177.085 177.584 0.237 0.000 1.099 452 A CA -0.686 51.468 52.037 0.196 0.000 0.846 452 A CB -0.166 18.942 19.000 0.180 0.000 1.255 452 A HN 0.780 nan 8.150 nan 0.000 0.519 453 D N 0.632 121.190 120.400 0.262 0.000 2.358 453 D HA 0.409 5.050 4.640 0.002 0.000 0.287 453 D C 0.865 177.278 176.300 0.188 0.000 1.181 453 D CA 0.148 54.311 54.000 0.272 0.000 1.103 453 D CB 0.507 41.547 40.800 0.401 0.000 1.168 453 D HN 0.299 nan 8.370 nan 0.000 0.552 454 S N -1.139 114.684 115.700 0.205 0.000 2.558 454 S HA 0.011 4.482 4.470 0.002 0.000 0.297 454 S C 0.788 175.433 174.600 0.074 0.000 1.283 454 S CA 0.161 58.449 58.200 0.146 0.000 1.044 454 S CB 0.528 63.855 63.200 0.211 0.000 0.789 454 S HN 0.396 nan 8.310 nan 0.000 0.500 455 S N 0.587 116.270 115.700 -0.028 0.000 2.512 455 S HA 0.290 4.761 4.470 0.002 0.000 0.216 455 S C 0.566 175.099 174.600 -0.111 0.000 1.006 455 S CA -0.281 57.853 58.200 -0.111 0.000 0.915 455 S CB -0.205 62.815 63.200 -0.300 0.000 0.824 455 S HN 0.712 nan 8.310 nan 0.000 0.497 456 I N -1.388 119.128 120.570 -0.090 0.000 3.145 456 I HA 0.647 4.818 4.170 0.002 0.000 0.313 456 I C -0.133 175.982 176.117 -0.003 0.000 1.122 456 I CA -0.920 60.374 61.300 -0.010 0.000 0.987 456 I CB 2.073 40.082 38.000 0.015 0.000 1.236 456 I HN -0.197 nan 8.210 nan 0.000 0.453 457 E N 0.774 121.049 120.200 0.125 0.000 2.267 457 E HA 0.284 4.636 4.350 0.002 0.000 0.186 457 E C 0.186 177.008 176.600 0.370 0.000 0.954 457 E CA 0.008 56.546 56.400 0.229 0.000 1.414 457 E CB 1.571 31.426 29.700 0.258 0.000 2.698 457 E HN 0.969 nan 8.360 nan 0.000 0.927 458 G N -0.161 108.829 108.800 0.317 0.000 2.650 458 G HA2 0.238 4.199 3.960 0.002 0.000 0.310 458 G HA3 0.238 4.199 3.960 0.002 0.000 0.310 458 G C -0.724 174.293 174.900 0.194 0.000 1.270 458 G CA -0.363 44.910 45.100 0.289 0.000 0.810 458 G HN -0.049 nan 8.290 nan 0.000 0.493 459 N N -1.308 117.474 118.700 0.136 0.000 2.168 459 N HA 0.047 4.788 4.740 0.002 0.000 0.216 459 N C -0.451 175.074 175.510 0.026 0.000 1.259 459 N CA -0.073 52.929 53.050 -0.081 0.000 0.902 459 N CB 1.336 39.928 38.487 0.175 0.000 1.079 459 N HN 0.340 nan 8.380 nan 0.000 0.507 460 Y N 3.091 123.381 120.300 -0.016 0.000 2.623 460 Y HA 0.166 4.717 4.550 0.002 0.000 0.341 460 Y C 0.426 176.213 175.900 -0.188 0.000 1.292 460 Y CA 0.528 58.595 58.100 -0.054 0.000 1.840 460 Y CB -0.719 37.710 38.460 -0.051 0.000 1.865 460 Y HN -0.025 nan 8.280 nan 0.000 0.440 461 T N 1.559 115.885 114.554 -0.380 0.000 0.541 461 T HA -0.246 4.105 4.350 0.002 0.000 0.774 461 T C -0.936 172.923 174.700 -1.401 0.000 0.992 461 T CA -0.046 61.603 62.100 -0.750 0.000 4.077 461 T CB -0.459 68.050 68.868 -0.598 0.000 2.303 461 T HN 0.547 nan 8.240 nan 0.000 0.398 462 L N 2.204 122.659 121.223 -1.280 0.000 2.371 462 L HA 0.736 5.077 4.340 0.002 0.000 0.272 462 L C 0.546 176.852 176.870 -0.939 0.000 1.124 462 L CA 0.119 54.173 54.840 -1.310 0.000 0.816 462 L CB 0.874 42.119 42.059 -1.357 0.000 1.129 462 L HN 0.643 nan 8.230 nan 0.000 0.448 463 R N 3.669 123.741 120.500 -0.714 0.000 2.561 463 R HA 0.771 5.112 4.340 0.002 0.000 0.297 463 R C -2.040 174.053 176.300 -0.346 0.000 0.969 463 R CA -0.631 55.227 56.100 -0.404 0.000 0.879 463 R CB 1.644 31.771 30.300 -0.288 0.000 1.178 463 R HN 0.557 nan 8.270 nan 0.000 0.445 464 V N 3.554 123.352 119.914 -0.193 0.000 2.841 464 V HA 0.457 4.578 4.120 0.002 0.000 0.310 464 V C -1.116 174.919 176.094 -0.098 0.000 1.090 464 V CA -0.842 61.361 62.300 -0.160 0.000 0.930 464 V CB 2.377 34.122 31.823 -0.130 0.000 1.014 464 V HN 0.819 nan 8.190 nan 0.000 0.425 465 D N 2.733 123.037 120.400 -0.160 0.000 2.896 465 D HA 0.743 5.384 4.640 0.002 0.000 0.241 465 D C -0.904 175.223 176.300 -0.289 0.000 1.188 465 D CA 0.046 53.916 54.000 -0.217 0.000 0.879 465 D CB 2.305 42.956 40.800 -0.248 0.000 1.553 465 D HN 0.953 nan 8.370 nan 0.000 0.515 466 C N -0.643 118.483 119.300 -0.291 0.000 3.224 466 C HA 0.453 4.914 4.460 0.002 0.000 0.348 466 C C 0.087 174.957 174.990 -0.200 0.000 1.242 466 C CA -1.037 57.806 59.018 -0.292 0.000 1.180 466 C CB 0.784 28.441 27.740 -0.138 0.000 1.458 466 C HN 0.592 nan 8.230 nan 0.000 0.485 467 T N 2.107 116.490 114.554 -0.284 0.000 2.866 467 T HA 0.260 4.611 4.350 0.002 0.000 0.293 467 T C -1.001 173.585 174.700 -0.190 0.000 1.005 467 T CA 0.418 62.412 62.100 -0.177 0.000 1.162 467 T CB 0.214 69.133 68.868 0.085 0.000 0.968 467 T HN 0.680 nan 8.240 nan 0.000 0.530 468 P HA -0.131 nan 4.420 nan 0.000 0.219 468 P C 1.442 178.345 177.300 -0.662 0.000 1.147 468 P CA 1.088 63.473 63.100 -1.192 0.000 0.821 468 P CB -0.029 30.947 31.700 -1.207 0.000 0.771 469 L N -2.320 118.731 121.223 -0.286 0.000 2.083 469 L HA -0.131 4.210 4.340 0.002 0.000 0.209 469 L C 2.127 178.957 176.870 -0.065 0.000 1.083 469 L CA 1.461 56.205 54.840 -0.160 0.000 0.752 469 L CB -0.696 41.117 42.059 -0.411 0.000 0.899 469 L HN 0.049 nan 8.230 nan 0.000 0.433 470 M N -2.092 117.496 119.600 -0.021 0.000 2.563 470 M HA -0.015 4.466 4.480 0.002 0.000 0.231 470 M C 1.402 177.845 176.300 0.239 0.000 1.136 470 M CA 0.124 55.508 55.300 0.141 0.000 1.026 470 M CB 0.036 32.700 32.600 0.107 0.000 1.597 470 M HN 0.086 nan 8.290 nan 0.000 0.495 471 Y N 0.472 120.739 120.300 -0.054 0.000 2.070 471 Y HA -0.209 4.342 4.550 0.002 0.000 0.279 471 Y C 2.914 178.710 175.900 -0.173 0.000 1.134 471 Y CA 1.453 59.464 58.100 -0.149 0.000 1.113 471 Y CB -1.265 37.045 38.460 -0.251 0.000 0.981 471 Y HN 0.236 nan 8.280 nan 0.000 0.487 472 S N -0.027 115.716 115.700 0.072 0.000 2.380 472 S HA -0.226 4.245 4.470 0.002 0.000 0.229 472 S C 2.175 176.882 174.600 0.178 0.000 1.043 472 S CA 1.528 59.783 58.200 0.092 0.000 1.038 472 S CB -0.756 62.515 63.200 0.119 0.000 0.872 472 S HN 0.355 nan 8.310 nan 0.000 0.456 473 L N 1.490 122.831 121.223 0.197 0.000 1.989 473 L HA -0.043 4.298 4.340 0.002 0.000 0.211 473 L C 2.296 179.301 176.870 0.225 0.000 1.071 473 L CA 1.867 56.834 54.840 0.211 0.000 0.749 473 L CB -0.952 41.246 42.059 0.232 0.000 0.890 473 L HN 0.223 nan 8.230 nan 0.000 0.431 474 V N -0.374 119.685 119.914 0.242 0.000 2.255 474 V HA -0.343 3.778 4.120 0.002 0.000 0.247 474 V C 2.507 178.861 176.094 0.434 0.000 1.051 474 V CA 2.011 64.485 62.300 0.290 0.000 1.018 474 V CB -0.971 31.031 31.823 0.298 0.000 0.641 474 V HN 0.553 nan 8.190 nan 0.000 0.445 475 H N 0.817 120.060 119.070 0.288 0.000 2.287 475 H HA -0.160 4.397 4.556 0.002 0.000 0.292 475 H C 2.340 177.739 175.328 0.117 0.000 1.068 475 H CA 2.168 58.368 56.048 0.253 0.000 1.192 475 H CB -0.840 29.020 29.762 0.163 0.000 1.360 475 H HN 0.338 nan 8.280 nan 0.000 0.516 476 N N 0.190 119.030 118.700 0.233 0.000 2.060 476 N HA -0.152 4.589 4.740 0.002 0.000 0.195 476 N C 2.061 177.642 175.510 0.118 0.000 1.028 476 N CA 1.239 54.360 53.050 0.117 0.000 0.861 476 N CB -0.658 37.904 38.487 0.125 0.000 1.029 476 N HN 0.244 nan 8.380 nan 0.000 0.428 477 L N 0.419 121.742 121.223 0.166 0.000 2.017 477 L HA -0.073 4.268 4.340 0.002 0.000 0.208 477 L C 2.177 179.136 176.870 0.148 0.000 1.073 477 L CA 1.934 56.866 54.840 0.153 0.000 0.745 477 L CB -1.453 40.705 42.059 0.165 0.000 0.894 477 L HN 0.115 nan 8.230 nan 0.000 0.432 478 T N -0.893 113.783 114.554 0.203 0.000 2.833 478 T HA -0.190 4.161 4.350 0.002 0.000 0.269 478 T C 1.905 176.746 174.700 0.235 0.000 1.054 478 T CA 1.572 63.814 62.100 0.237 0.000 1.135 478 T CB -0.135 68.978 68.868 0.409 0.000 0.869 478 T HN 0.404 nan 8.240 nan 0.000 0.466 479 K N 0.584 121.078 120.400 0.157 0.000 2.097 479 K HA -0.032 4.289 4.320 0.002 0.000 0.206 479 K C 1.508 178.154 176.600 0.076 0.000 1.049 479 K CA 1.098 57.423 56.287 0.064 0.000 0.933 479 K CB -0.028 32.376 32.500 -0.161 0.000 0.717 479 K HN 0.475 nan 8.250 nan 0.000 0.442 480 E N 0.764 121.007 120.200 0.071 0.000 2.311 480 E HA 0.139 4.490 4.350 0.002 0.000 0.198 480 E C -0.517 176.122 176.600 0.064 0.000 1.115 480 E CA -0.080 56.357 56.400 0.061 0.000 1.140 480 E CB 0.194 29.929 29.700 0.057 0.000 1.204 480 E HN 0.138 nan 8.360 nan 0.000 0.446 481 L N 1.271 122.541 121.223 0.080 0.000 2.386 481 L HA 0.351 4.692 4.340 0.002 0.000 0.271 481 L C -0.368 176.542 176.870 0.067 0.000 0.993 481 L CA -0.962 53.917 54.840 0.065 0.000 0.819 481 L CB 2.098 44.199 42.059 0.069 0.000 1.294 481 L HN -0.060 nan 8.230 nan 0.000 0.414 482 K N 1.845 122.273 120.400 0.046 0.000 2.447 482 K HA 0.087 4.409 4.320 0.002 0.000 0.281 482 K C -0.007 176.628 176.600 0.058 0.000 1.031 482 K CA 0.050 56.366 56.287 0.048 0.000 1.019 482 K CB 0.878 33.394 32.500 0.026 0.000 0.918 482 K HN 0.358 nan 8.250 nan 0.000 0.476 483 S N 3.904 119.646 115.700 0.071 0.000 2.465 483 S HA 0.180 4.651 4.470 0.002 0.000 0.279 483 S C -1.185 173.465 174.600 0.083 0.000 1.201 483 S CA -1.686 56.553 58.200 0.065 0.000 1.053 483 S CB 0.675 63.885 63.200 0.016 0.000 0.953 483 S HN 0.497 nan 8.310 nan 0.000 0.488 484 P HA 0.025 nan 4.420 nan 0.000 0.224 484 P C -0.106 177.280 177.300 0.144 0.000 1.157 484 P CA 0.126 63.272 63.100 0.077 0.000 0.799 484 P CB -0.103 31.630 31.700 0.055 0.000 0.809 485 D N 2.260 122.781 120.400 0.201 0.000 2.622 485 D HA -0.083 4.558 4.640 0.002 0.000 0.227 485 D C 0.629 177.090 176.300 0.268 0.000 1.159 485 D CA 0.935 55.069 54.000 0.223 0.000 0.865 485 D CB 0.712 41.493 40.800 -0.033 0.000 1.207 485 D HN 0.423 nan 8.370 nan 0.000 0.492 486 E N 0.413 120.776 120.200 0.271 0.000 2.257 486 E HA 0.380 4.731 4.350 0.002 0.000 0.278 486 E C 0.787 177.545 176.600 0.263 0.000 1.049 486 E CA -0.504 56.023 56.400 0.211 0.000 0.876 486 E CB 0.763 30.555 29.700 0.154 0.000 1.035 486 E HN 0.594 nan 8.360 nan 0.000 0.419 487 G N 3.060 111.954 108.800 0.157 0.000 2.163 487 G HA2 -0.245 3.716 3.960 0.002 0.000 0.213 487 G HA3 -0.245 3.716 3.960 0.002 0.000 0.213 487 G C -0.278 174.500 174.900 -0.204 0.000 0.991 487 G CA -0.240 44.851 45.100 -0.014 0.000 0.653 487 G HN 0.474 nan 8.290 nan 0.000 0.518 488 F N 2.350 122.314 119.950 0.024 0.000 2.622 488 F HA 0.349 4.877 4.527 0.002 0.000 0.338 488 F C 0.539 176.352 175.800 0.022 0.000 1.334 488 F CA -1.087 56.927 58.000 0.024 0.000 1.179 488 F CB 0.674 39.693 39.000 0.031 0.000 1.471 488 F HN 0.298 nan 8.300 nan 0.000 0.576 489 E N -0.302 119.962 120.200 0.106 0.000 2.299 489 E HA 0.407 4.758 4.350 0.002 0.000 0.272 489 E C 1.073 177.718 176.600 0.075 0.000 1.043 489 E CA 0.070 56.512 56.400 0.071 0.000 0.895 489 E CB 0.988 30.703 29.700 0.024 0.000 1.011 489 E HN 0.680 nan 8.360 nan 0.000 0.432 490 G N 3.233 112.077 108.800 0.074 0.000 2.258 490 G HA2 -0.274 3.687 3.960 0.002 0.000 0.274 490 G HA3 -0.274 3.687 3.960 0.002 0.000 0.274 490 G C -0.183 174.773 174.900 0.093 0.000 1.021 490 G CA 0.231 45.371 45.100 0.067 0.000 0.798 490 G HN 0.438 nan 8.290 nan 0.000 0.507 491 K N 0.690 121.175 120.400 0.142 0.000 2.164 491 K HA 0.534 4.855 4.320 0.002 0.000 0.258 491 K C 0.890 177.578 176.600 0.147 0.000 0.951 491 K CA -0.005 56.391 56.287 0.182 0.000 0.844 491 K CB 1.645 34.353 32.500 0.347 0.000 1.099 491 K HN 0.517 nan 8.250 nan 0.000 0.435 492 S N 2.204 117.989 115.700 0.142 0.000 2.568 492 S HA 0.026 4.497 4.470 0.002 0.000 0.282 492 S C 1.454 176.132 174.600 0.129 0.000 1.338 492 S CA -0.541 57.743 58.200 0.140 0.000 1.045 492 S CB 0.493 63.799 63.200 0.177 0.000 0.873 492 S HN 0.664 nan 8.310 nan 0.000 0.516 493 L N 1.872 123.169 121.223 0.125 0.000 2.079 493 L HA -0.120 4.221 4.340 0.002 0.000 0.210 493 L C 2.167 179.130 176.870 0.155 0.000 1.081 493 L CA 1.911 56.807 54.840 0.094 0.000 0.752 493 L CB -0.569 41.544 42.059 0.089 0.000 0.896 493 L HN 0.985 nan 8.230 nan 0.000 0.433 494 Y N 1.173 121.541 120.300 0.114 0.000 2.097 494 Y HA -0.325 4.226 4.550 0.002 0.000 0.282 494 Y C 2.490 178.409 175.900 0.032 0.000 1.152 494 Y CA 2.232 60.415 58.100 0.138 0.000 1.136 494 Y CB -0.262 38.239 38.460 0.068 0.000 0.975 494 Y HN 0.242 nan 8.280 nan 0.000 0.498 495 E N -0.485 119.784 120.200 0.115 0.000 2.033 495 E HA -0.300 4.051 4.350 0.002 0.000 0.199 495 E C 2.447 178.959 176.600 -0.146 0.000 1.011 495 E CA 1.718 58.122 56.400 0.007 0.000 0.815 495 E CB -0.476 29.315 29.700 0.151 0.000 0.755 495 E HN 0.482 nan 8.360 nan 0.000 0.451 496 S N 0.366 115.926 115.700 -0.233 0.000 2.369 496 S HA -0.241 4.230 4.470 0.002 0.000 0.225 496 S C 1.741 176.096 174.600 -0.409 0.000 1.043 496 S CA 1.723 59.529 58.200 -0.656 0.000 1.074 496 S CB -0.530 62.305 63.200 -0.610 0.000 0.962 496 S HN 0.531 nan 8.310 nan 0.000 0.433 497 W N 2.242 123.265 121.300 -0.463 0.000 2.335 497 W HA -0.085 4.576 4.660 0.002 0.000 0.311 497 W C 2.346 178.598 176.519 -0.445 0.000 1.213 497 W CA 2.267 59.342 57.345 -0.450 0.000 1.274 497 W CB -1.377 27.857 29.460 -0.377 0.000 1.148 497 W HN 0.362 nan 8.180 nan 0.000 0.498 498 T N 1.316 115.500 114.554 -0.617 0.000 2.569 498 T HA -0.280 4.071 4.350 0.002 0.000 0.263 498 T C 1.785 176.244 174.700 -0.401 0.000 1.074 498 T CA 2.556 64.224 62.100 -0.721 0.000 1.176 498 T CB -0.571 67.823 68.868 -0.792 0.000 0.863 498 T HN 0.119 nan 8.240 nan 0.000 0.410 499 K N 1.129 121.371 120.400 -0.263 0.000 2.107 499 K HA -0.175 4.146 4.320 0.002 0.000 0.211 499 K C 2.238 178.783 176.600 -0.091 0.000 1.049 499 K CA 1.497 57.714 56.287 -0.116 0.000 0.927 499 K CB -0.173 32.342 32.500 0.026 0.000 0.714 499 K HN 0.364 nan 8.250 nan 0.000 0.452 500 K N 0.342 120.639 120.400 -0.171 0.000 2.418 500 K HA -0.005 4.316 4.320 0.002 0.000 0.195 500 K C 0.454 177.026 176.600 -0.046 0.000 1.035 500 K CA 0.821 57.005 56.287 -0.170 0.000 1.003 500 K CB 0.395 32.547 32.500 -0.581 0.000 0.793 500 K HN 0.119 nan 8.250 nan 0.000 0.494 501 S N 0.244 115.875 115.700 -0.116 0.000 2.689 501 S HA 0.245 4.716 4.470 0.002 0.000 0.151 501 S C -3.108 171.387 174.600 -0.175 0.000 1.155 501 S CA -1.415 56.741 58.200 -0.074 0.000 1.144 501 S CB 0.903 64.068 63.200 -0.059 0.000 1.526 501 S HN -0.206 nan 8.310 nan 0.000 0.419 502 P HA 0.175 nan 4.420 nan 0.000 0.267 502 P C 0.079 177.296 177.300 -0.138 0.000 1.209 502 P CA 0.279 63.266 63.100 -0.188 0.000 0.763 502 P CB 0.705 32.325 31.700 -0.133 0.000 0.816 503 S N 5.316 120.909 115.700 -0.178 0.000 2.515 503 S HA 0.155 4.626 4.470 0.002 0.000 0.285 503 S C -2.034 172.551 174.600 -0.026 0.000 1.265 503 S CA -1.179 56.967 58.200 -0.091 0.000 1.079 503 S CB -0.585 62.564 63.200 -0.084 0.000 0.877 503 S HN 0.211 nan 8.310 nan 0.000 0.493 504 P HA 0.048 nan 4.420 nan 0.000 0.270 504 P C 0.827 178.163 177.300 0.061 0.000 1.221 504 P CA 0.278 63.393 63.100 0.025 0.000 0.788 504 P CB 0.299 32.019 31.700 0.033 0.000 0.904 505 E N -0.458 119.782 120.200 0.067 0.000 4.234 505 E HA -0.323 4.028 4.350 0.002 0.000 0.187 505 E C -0.424 176.290 176.600 0.190 0.000 1.237 505 E CA 1.021 57.488 56.400 0.113 0.000 2.362 505 E CB -1.427 28.342 29.700 0.114 0.000 1.813 505 E HN 0.350 nan 8.360 nan 0.000 0.402 506 F N 2.220 122.174 119.950 0.006 0.000 2.471 506 F HA 0.381 4.909 4.527 0.002 0.000 0.318 506 F C 0.963 176.754 175.800 -0.016 0.000 1.308 506 F CA 0.345 58.350 58.000 0.008 0.000 1.162 506 F CB 0.498 39.516 39.000 0.030 0.000 1.383 506 F HN 0.216 nan 8.300 nan 0.000 0.552 507 S N -0.298 115.295 115.700 -0.178 0.000 2.559 507 S HA -0.153 4.318 4.470 0.002 0.000 0.250 507 S C 2.069 176.495 174.600 -0.290 0.000 0.977 507 S CA 0.862 58.943 58.200 -0.200 0.000 0.958 507 S CB -0.703 62.401 63.200 -0.160 0.000 0.751 507 S HN 0.615 nan 8.310 nan 0.000 0.534 508 G N 1.117 109.625 108.800 -0.487 0.000 2.776 508 G HA2 0.318 4.279 3.960 0.002 0.000 0.209 508 G HA3 0.318 4.279 3.960 0.002 0.000 0.209 508 G C 0.363 175.179 174.900 -0.140 0.000 1.145 508 G CA 0.231 45.099 45.100 -0.386 0.000 0.791 508 G HN 0.707 nan 8.290 nan 0.000 0.530 509 M N -2.291 117.218 119.600 -0.151 0.000 2.578 509 M HA 0.424 4.905 4.480 0.002 0.000 0.276 509 M C -3.298 172.737 176.300 -0.442 0.000 1.245 509 M CA -2.373 52.790 55.300 -0.229 0.000 0.871 509 M CB 1.434 34.047 32.600 0.023 0.000 1.722 509 M HN -0.354 nan 8.290 nan 0.000 0.473 510 P HA 0.056 nan 4.420 nan 0.000 0.267 510 P C -1.128 175.756 177.300 -0.693 0.000 1.201 510 P CA -0.088 62.268 63.100 -1.240 0.000 0.775 510 P CB 0.406 30.502 31.700 -2.675 0.000 0.854 511 R N 3.622 123.819 120.500 -0.505 0.000 2.267 511 R HA 0.353 4.694 4.340 0.002 0.000 0.319 511 R C -0.759 175.523 176.300 -0.031 0.000 1.067 511 R CA -0.167 55.832 56.100 -0.168 0.000 0.936 511 R CB -0.232 30.041 30.300 -0.046 0.000 1.006 511 R HN 0.467 nan 8.270 nan 0.000 0.452 512 I N 3.827 124.337 120.570 -0.099 0.000 2.389 512 I HA 0.201 4.372 4.170 0.002 0.000 0.288 512 I C -0.114 175.928 176.117 -0.125 0.000 0.999 512 I CA -0.605 60.612 61.300 -0.138 0.000 1.129 512 I CB 2.102 39.775 38.000 -0.546 0.000 1.288 512 I HN 0.675 nan 8.210 nan 0.000 0.444 513 S N 5.221 120.889 115.700 -0.052 0.000 2.713 513 S HA 0.478 4.949 4.470 0.002 0.000 0.277 513 S C -0.122 174.414 174.600 -0.107 0.000 1.168 513 S CA -0.922 57.260 58.200 -0.031 0.000 0.994 513 S CB 1.169 64.385 63.200 0.025 0.000 1.054 513 S HN 0.446 nan 8.310 nan 0.000 0.555 514 K N 0.255 120.582 120.400 -0.122 0.000 2.087 514 K HA 0.465 4.787 4.320 0.002 0.000 0.255 514 K C 0.169 176.566 176.600 -0.338 0.000 0.988 514 K CA -0.601 55.513 56.287 -0.289 0.000 0.915 514 K CB 0.712 33.068 32.500 -0.241 0.000 1.043 514 K HN 0.347 nan 8.250 nan 0.000 0.457 515 L N 0.498 121.395 121.223 -0.544 0.000 2.635 515 L HA 0.259 4.600 4.340 0.002 0.000 0.144 515 L C 0.414 177.184 176.870 -0.167 0.000 1.632 515 L CA 0.536 55.060 54.840 -0.527 0.000 2.943 515 L CB -0.075 41.397 42.059 -0.978 0.000 3.002 515 L HN 0.944 nan 8.230 nan 0.000 0.812 516 G N 0.212 109.094 108.800 0.136 0.000 2.999 516 G HA2 -0.043 3.918 3.960 0.002 0.000 0.686 516 G HA3 -0.043 3.918 3.960 0.002 0.000 0.686 516 G C -0.120 174.898 174.900 0.197 0.000 1.057 516 G CA -0.357 44.879 45.100 0.226 0.000 0.784 516 G HN 1.365 nan 8.290 nan 0.000 0.575 517 S N 0.109 115.824 115.700 0.025 0.000 3.452 517 S HA 0.367 4.838 4.470 0.002 0.000 0.850 517 S C 1.924 176.517 174.600 -0.011 0.000 1.095 517 S CA 1.281 59.414 58.200 -0.112 0.000 1.136 517 S CB -1.036 61.996 63.200 -0.281 0.000 1.088 517 S HN 3.350 nan 8.310 nan 0.000 0.306 518 G N 4.236 112.972 108.800 -0.106 0.000 1.781 518 G HA2 -0.022 3.939 3.960 0.002 0.000 0.082 518 G HA3 -0.022 3.939 3.960 0.002 0.000 0.082 518 G C -0.287 174.551 174.900 -0.103 0.000 0.919 518 G CA -0.018 45.099 45.100 0.030 0.000 1.202 518 G HN 0.969 nan 8.290 nan 0.000 0.393 519 N N 1.421 120.059 118.700 -0.103 0.000 2.381 519 N HA 0.184 4.925 4.740 0.002 0.000 0.254 519 N C 0.872 176.175 175.510 -0.345 0.000 1.264 519 N CA 0.138 53.155 53.050 -0.055 0.000 0.942 519 N CB 0.647 39.349 38.487 0.358 0.000 1.190 519 N HN 0.445 nan 8.380 nan 0.000 0.495 520 D N 0.532 120.902 120.400 -0.051 0.000 2.244 520 D HA -0.236 4.405 4.640 0.002 0.000 0.197 520 D C 1.644 177.897 176.300 -0.078 0.000 1.006 520 D CA 1.398 55.320 54.000 -0.130 0.000 0.888 520 D CB -0.268 40.517 40.800 -0.026 0.000 0.912 520 D HN 0.604 nan 8.370 nan 0.000 0.452 521 F N 1.536 121.744 119.950 0.429 0.000 2.307 521 F HA -0.057 4.471 4.527 0.002 0.000 0.301 521 F C 2.039 178.022 175.800 0.305 0.000 1.076 521 F CA 0.866 59.244 58.000 0.631 0.000 1.383 521 F CB -0.847 38.517 39.000 0.607 0.000 1.055 521 F HN -0.107 nan 8.300 nan 0.000 0.526 522 E N 1.561 121.312 120.200 -0.749 0.000 2.086 522 E HA -0.260 4.091 4.350 0.002 0.000 0.205 522 E C 2.052 178.601 176.600 -0.085 0.000 1.027 522 E CA 2.951 59.124 56.400 -0.378 0.000 0.830 522 E CB -0.328 29.131 29.700 -0.402 0.000 0.751 522 E HN 0.358 nan 8.360 nan 0.000 0.456 523 V N 0.140 119.869 119.914 -0.309 0.000 2.233 523 V HA -0.282 3.839 4.120 0.002 0.000 0.247 523 V C 2.258 178.191 176.094 -0.267 0.000 1.050 523 V CA 2.349 64.399 62.300 -0.416 0.000 1.010 523 V CB -1.155 30.153 31.823 -0.859 0.000 0.637 523 V HN 0.303 nan 8.190 nan 0.000 0.444 524 F N -0.945 118.995 119.950 -0.017 0.000 2.161 524 F HA -0.135 4.393 4.527 0.002 0.000 0.300 524 F C 2.170 178.128 175.800 0.264 0.000 1.089 524 F CA 2.035 60.081 58.000 0.077 0.000 1.282 524 F CB -0.477 38.504 39.000 -0.032 0.000 1.010 524 F HN 0.123 nan 8.300 nan 0.000 0.485 525 F N 0.769 120.943 119.950 0.372 0.000 2.138 525 F HA 0.015 4.543 4.527 0.002 0.000 0.283 525 F C 2.266 178.248 175.800 0.304 0.000 1.100 525 F CA 1.108 59.328 58.000 0.366 0.000 1.189 525 F CB -0.761 38.506 39.000 0.444 0.000 1.060 525 F HN -0.272 nan 8.300 nan 0.000 0.492 526 Q N -0.111 119.798 119.800 0.182 0.000 2.482 526 Q HA 0.023 4.364 4.340 0.002 0.000 0.209 526 Q C 1.761 177.828 176.000 0.112 0.000 0.961 526 Q CA 0.550 56.392 55.803 0.065 0.000 0.945 526 Q CB 0.128 28.906 28.738 0.067 0.000 1.012 526 Q HN 0.389 nan 8.270 nan 0.000 0.515 527 R N -1.659 118.889 120.500 0.081 0.000 2.428 527 R HA 0.211 4.552 4.340 0.002 0.000 0.193 527 R C 1.181 177.495 176.300 0.023 0.000 0.852 527 R CA 0.158 56.298 56.100 0.065 0.000 1.055 527 R CB 0.252 30.573 30.300 0.035 0.000 1.343 527 R HN 0.205 nan 8.270 nan 0.000 0.655 528 L N -0.410 120.829 121.223 0.027 0.000 2.253 528 L HA 0.355 4.696 4.340 0.002 0.000 0.205 528 L C 0.692 177.586 176.870 0.040 0.000 1.078 528 L CA 0.853 55.719 54.840 0.044 0.000 0.805 528 L CB 0.380 42.495 42.059 0.094 0.000 0.963 528 L HN 0.591 nan 8.230 nan 0.000 0.459 529 G N 1.402 110.225 108.800 0.037 0.000 2.270 529 G HA2 -0.197 3.764 3.960 0.002 0.000 0.224 529 G HA3 -0.197 3.764 3.960 0.002 0.000 0.224 529 G C -0.200 174.765 174.900 0.107 0.000 1.079 529 G CA -0.507 44.578 45.100 -0.026 0.000 0.807 529 G HN 0.190 nan 8.290 nan 0.000 0.492 530 I N 1.269 121.991 120.570 0.253 0.000 2.312 530 I HA 0.539 4.710 4.170 0.002 0.000 0.290 530 I C 1.162 177.554 176.117 0.457 0.000 1.008 530 I CA -0.647 60.843 61.300 0.316 0.000 1.226 530 I CB 1.534 39.739 38.000 0.341 0.000 1.371 530 I HN 0.432 nan 8.210 nan 0.000 0.468 531 A N 5.628 128.662 122.820 0.358 0.000 2.587 531 A HA 0.337 4.658 4.320 0.002 0.000 0.235 531 A C 0.394 178.152 177.584 0.291 0.000 1.044 531 A CA 0.493 52.714 52.037 0.305 0.000 0.754 531 A CB -0.097 18.890 19.000 -0.023 0.000 0.968 531 A HN 0.861 nan 8.150 nan 0.000 0.509 532 S N 0.648 116.440 115.700 0.154 0.000 2.636 532 S HA 0.894 5.365 4.470 0.002 0.000 0.268 532 S C -0.283 174.196 174.600 -0.202 0.000 1.159 532 S CA -0.275 57.955 58.200 0.050 0.000 0.815 532 S CB 1.260 64.618 63.200 0.263 0.000 1.130 532 S HN 2.229 nan 8.310 nan 0.000 0.471 533 G N -0.107 108.570 108.800 -0.206 0.000 2.600 533 G HA2 0.779 4.740 3.960 0.002 0.000 0.293 533 G HA3 0.779 4.740 3.960 0.002 0.000 0.293 533 G C -1.815 172.930 174.900 -0.258 0.000 1.408 533 G CA -1.028 43.904 45.100 -0.280 0.000 0.782 533 G HN 0.980 nan 8.290 nan 0.000 0.482 534 R N -1.567 118.787 120.500 -0.244 0.000 2.817 534 R HA 0.914 5.255 4.340 0.002 0.000 0.268 534 R C -1.005 175.214 176.300 -0.135 0.000 1.027 534 R CA -0.887 55.115 56.100 -0.162 0.000 0.928 534 R CB 2.016 32.217 30.300 -0.164 0.000 1.228 534 R HN 1.541 nan 8.270 nan 0.000 0.469 535 A N 1.014 123.776 122.820 -0.097 0.000 2.500 535 A HA 0.609 4.930 4.320 0.002 0.000 0.291 535 A C -1.120 176.404 177.584 -0.100 0.000 1.048 535 A CA -0.841 51.112 52.037 -0.139 0.000 0.791 535 A CB 1.274 20.178 19.000 -0.160 0.000 1.309 535 A HN 0.748 nan 8.150 nan 0.000 0.397 536 R N 0.042 120.462 120.500 -0.133 0.000 3.150 536 R HA 0.684 5.025 4.340 0.002 0.000 0.236 536 R C -1.624 174.580 176.300 -0.160 0.000 1.469 536 R CA -0.727 55.325 56.100 -0.079 0.000 1.045 536 R CB 1.180 31.466 30.300 -0.024 0.000 1.481 536 R HN 0.635 nan 8.270 nan 0.000 0.506 537 Y N -0.142 120.057 120.300 -0.169 0.000 2.338 537 Y HA 0.343 4.894 4.550 0.002 0.000 0.333 537 Y C -0.202 175.592 175.900 -0.176 0.000 0.968 537 Y CA -0.012 57.949 58.100 -0.232 0.000 1.123 537 Y CB 2.331 40.640 38.460 -0.253 0.000 1.165 537 Y HN 0.429 nan 8.280 nan 0.000 0.452 538 T N 3.870 118.276 114.554 -0.247 0.000 2.807 538 T HA 0.450 4.801 4.350 0.002 0.000 0.277 538 T C -0.741 173.901 174.700 -0.095 0.000 1.006 538 T CA -0.876 61.123 62.100 -0.168 0.000 1.006 538 T CB 0.889 69.510 68.868 -0.411 0.000 1.274 538 T HN 0.631 nan 8.240 nan 0.000 0.569 539 K N 1.278 121.650 120.400 -0.046 0.000 2.127 539 K HA 0.406 4.727 4.320 0.002 0.000 0.240 539 K C 0.123 176.734 176.600 0.018 0.000 1.024 539 K CA -0.874 55.469 56.287 0.092 0.000 0.918 539 K CB 0.252 32.883 32.500 0.220 0.000 1.108 539 K HN 0.394 nan 8.250 nan 0.000 0.485 540 N N 0.585 119.277 118.700 -0.013 0.000 2.468 540 N HA -0.052 4.689 4.740 0.002 0.000 0.265 540 N C -0.159 175.432 175.510 0.135 0.000 1.199 540 N CA -0.005 52.908 53.050 -0.229 0.000 0.928 540 N CB 0.190 38.234 38.487 -0.738 0.000 1.059 540 N HN 0.725 nan 8.380 nan 0.000 0.467 541 W N 2.108 123.388 121.300 -0.034 0.000 2.721 541 W HA -0.027 4.634 4.660 0.002 0.000 0.245 541 W C 1.217 177.683 176.519 -0.088 0.000 1.276 541 W CA -0.166 57.152 57.345 -0.045 0.000 1.342 541 W CB 0.588 30.050 29.460 0.004 0.000 1.135 541 W HN 0.651 nan 8.180 nan 0.000 0.654 542 E N -1.681 118.590 120.200 0.117 0.000 2.391 542 E HA -0.036 4.315 4.350 0.002 0.000 0.206 542 E C 1.926 178.499 176.600 -0.046 0.000 0.851 542 E CA 0.532 56.939 56.400 0.013 0.000 1.059 542 E CB 0.007 29.713 29.700 0.009 0.000 1.065 542 E HN -0.033 nan 8.360 nan 0.000 0.512 543 T N 1.392 115.898 114.554 -0.080 0.000 2.777 543 T HA -0.041 4.310 4.350 0.002 0.000 0.266 543 T C 0.604 175.245 174.700 -0.098 0.000 1.040 543 T CA 0.982 63.031 62.100 -0.086 0.000 1.141 543 T CB -0.147 68.655 68.868 -0.111 0.000 0.868 543 T HN 0.083 nan 8.240 nan 0.000 0.444 544 N N 0.919 119.521 118.700 -0.163 0.000 2.443 544 N HA 0.281 5.022 4.740 0.002 0.000 0.269 544 N C 0.122 175.328 175.510 -0.507 0.000 0.985 544 N CA -0.365 52.391 53.050 -0.490 0.000 0.921 544 N CB 1.739 39.865 38.487 -0.601 0.000 1.195 544 N HN 0.129 nan 8.380 nan 0.000 0.492 545 K N 1.134 121.236 120.400 -0.497 0.000 2.361 545 K HA 0.096 4.417 4.320 0.002 0.000 0.194 545 K C 0.282 176.724 176.600 -0.263 0.000 1.032 545 K CA 0.272 56.381 56.287 -0.297 0.000 1.048 545 K CB 0.094 32.517 32.500 -0.127 0.000 0.842 545 K HN 0.437 nan 8.250 nan 0.000 0.526 546 F N 1.330 121.289 119.950 0.016 0.000 2.456 546 F HA 0.081 4.609 4.527 0.002 0.000 0.306 546 F C 1.674 177.448 175.800 -0.044 0.000 1.278 546 F CA -1.035 56.966 58.000 0.002 0.000 1.264 546 F CB -0.448 38.602 39.000 0.083 0.000 1.253 546 F HN -0.142 nan 8.300 nan 0.000 0.554 547 S N 0.500 116.337 115.700 0.229 0.000 2.163 547 S HA 0.360 4.831 4.470 0.002 0.000 0.151 547 S C 1.117 175.776 174.600 0.098 0.000 1.382 547 S CA -0.075 58.128 58.200 0.005 0.000 2.383 547 S CB -1.322 61.753 63.200 -0.208 0.000 0.325 547 S HN 1.018 nan 8.310 nan 0.000 0.349 548 G N 0.314 109.041 108.800 -0.122 0.000 2.631 548 G HA2 0.418 4.379 3.960 0.002 0.000 0.271 548 G HA3 0.418 4.379 3.960 0.002 0.000 0.271 548 G C -0.323 174.554 174.900 -0.039 0.000 1.302 548 G CA -0.322 44.645 45.100 -0.222 0.000 1.002 548 G HN 0.802 nan 8.290 nan 0.000 0.519 549 Y N -1.640 118.673 120.300 0.022 0.000 2.304 549 Y HA 0.563 5.114 4.550 0.002 0.000 0.327 549 Y C -2.405 173.417 175.900 -0.129 0.000 1.209 549 Y CA -3.487 54.631 58.100 0.031 0.000 1.299 549 Y CB -0.304 38.182 38.460 0.043 0.000 1.249 549 Y HN 0.172 nan 8.280 nan 0.000 0.519 550 P HA 0.219 nan 4.420 nan 0.000 0.268 550 P C -0.566 176.793 177.300 0.097 0.000 1.204 550 P CA 0.177 63.239 63.100 -0.063 0.000 0.768 550 P CB 0.440 32.141 31.700 0.001 0.000 0.842 551 L N -0.699 120.537 121.223 0.022 0.000 4.253 551 L HA -0.264 4.077 4.340 0.002 0.000 0.389 551 L C 1.109 178.084 176.870 0.174 0.000 1.092 551 L CA -0.184 54.728 54.840 0.119 0.000 1.053 551 L CB -2.206 39.944 42.059 0.153 0.000 2.114 551 L HN 0.345 nan 8.230 nan 0.000 0.607 552 Y N 1.702 121.845 120.300 -0.261 0.000 1.915 552 Y HA -0.232 4.319 4.550 0.002 0.000 0.195 552 Y C 1.709 177.579 175.900 -0.051 0.000 0.952 552 Y CA 2.237 60.050 58.100 -0.477 0.000 0.919 552 Y CB -0.331 37.699 38.460 -0.717 0.000 0.873 552 Y HN 0.303 nan 8.280 nan 0.000 0.570 553 H N 0.454 119.088 119.070 -0.726 0.000 2.553 553 H HA 0.322 4.879 4.556 0.002 0.000 0.222 553 H C -0.043 175.069 175.328 -0.360 0.000 1.779 553 H CA -0.244 55.383 56.048 -0.701 0.000 1.241 553 H CB -0.234 28.915 29.762 -1.022 0.000 1.647 553 H HN 0.275 nan 8.280 nan 0.000 0.523 554 S N -0.949 114.718 115.700 -0.054 0.000 2.739 554 S HA 0.220 4.691 4.470 0.002 0.000 0.306 554 S C 1.308 175.894 174.600 -0.023 0.000 1.115 554 S CA -0.827 57.376 58.200 0.006 0.000 0.985 554 S CB 1.543 64.828 63.200 0.142 0.000 1.133 554 S HN 0.088 nan 8.310 nan 0.000 0.541 555 V N 0.189 120.055 119.914 -0.080 0.000 2.270 555 V HA -0.130 3.991 4.120 0.002 0.000 0.245 555 V C 1.852 177.745 176.094 -0.335 0.000 1.043 555 V CA 1.624 63.767 62.300 -0.262 0.000 1.014 555 V CB -1.465 30.064 31.823 -0.491 0.000 0.645 555 V HN 0.906 nan 8.190 nan 0.000 0.447 556 Y N 0.493 120.682 120.300 -0.184 0.000 2.738 556 Y HA -0.098 4.453 4.550 0.002 0.000 0.293 556 Y C 1.407 176.990 175.900 -0.529 0.000 1.156 556 Y CA 0.467 58.237 58.100 -0.550 0.000 1.410 556 Y CB -0.924 37.160 38.460 -0.625 0.000 0.966 556 Y HN 0.341 nan 8.280 nan 0.000 0.568 557 E N 1.794 121.913 120.200 -0.136 0.000 1.814 557 E HA 0.079 4.430 4.350 0.002 0.000 0.264 557 E C -0.020 176.545 176.600 -0.057 0.000 1.179 557 E CA -0.115 56.248 56.400 -0.062 0.000 0.972 557 E CB 0.054 29.786 29.700 0.054 0.000 1.077 557 E HN 0.300 nan 8.360 nan 0.000 0.417 558 T N -0.847 113.624 114.554 -0.139 0.000 2.901 558 T HA 0.101 4.452 4.350 0.002 0.000 0.293 558 T C 0.724 175.467 174.700 0.072 0.000 1.084 558 T CA -0.819 61.212 62.100 -0.116 0.000 1.008 558 T CB 0.887 69.540 68.868 -0.358 0.000 1.170 558 T HN 0.324 nan 8.240 nan 0.000 0.509 559 Y N 1.825 122.179 120.300 0.090 0.000 2.002 559 Y HA -0.262 4.289 4.550 0.002 0.000 0.268 559 Y C 2.218 178.260 175.900 0.237 0.000 1.177 559 Y CA 2.629 60.860 58.100 0.218 0.000 1.111 559 Y CB -0.702 37.963 38.460 0.342 0.000 0.952 559 Y HN 0.847 nan 8.280 nan 0.000 0.491 560 E N 0.226 120.528 120.200 0.171 0.000 2.114 560 E HA -0.249 4.102 4.350 0.002 0.000 0.199 560 E C 2.032 178.756 176.600 0.207 0.000 1.008 560 E CA 1.465 57.947 56.400 0.138 0.000 0.810 560 E CB -0.785 29.137 29.700 0.369 0.000 0.739 560 E HN 0.528 nan 8.360 nan 0.000 0.456 561 L N 0.055 121.444 121.223 0.277 0.000 2.081 561 L HA -0.192 4.149 4.340 0.002 0.000 0.212 561 L C 1.915 178.971 176.870 0.310 0.000 1.080 561 L CA 1.562 56.596 54.840 0.324 0.000 0.754 561 L CB -0.346 41.783 42.059 0.116 0.000 0.893 561 L HN 0.051 nan 8.230 nan 0.000 0.433 562 V N -0.611 119.351 119.914 0.079 0.000 2.300 562 V HA -0.144 3.977 4.120 0.002 0.000 0.241 562 V C 2.559 178.617 176.094 -0.061 0.000 1.034 562 V CA 1.567 63.880 62.300 0.023 0.000 1.021 562 V CB -0.628 31.121 31.823 -0.123 0.000 0.662 562 V HN 0.502 nan 8.190 nan 0.000 0.458 563 E N 0.897 120.929 120.200 -0.281 0.000 2.130 563 E HA -0.262 4.089 4.350 0.002 0.000 0.196 563 E C 1.907 178.454 176.600 -0.088 0.000 0.998 563 E CA 1.542 57.779 56.400 -0.271 0.000 0.806 563 E CB 0.001 29.446 29.700 -0.425 0.000 0.738 563 E HN 0.562 nan 8.360 nan 0.000 0.459 564 K N -1.673 118.760 120.400 0.055 0.000 2.367 564 K HA 0.077 4.398 4.320 0.002 0.000 0.194 564 K C 0.850 177.438 176.600 -0.020 0.000 1.027 564 K CA 0.097 56.422 56.287 0.063 0.000 1.075 564 K CB 0.472 33.073 32.500 0.168 0.000 0.845 564 K HN 0.070 nan 8.250 nan 0.000 0.529 565 F N -2.597 117.422 119.950 0.114 0.000 2.767 565 F HA 0.180 4.708 4.527 0.002 0.000 0.329 565 F C 1.228 177.086 175.800 0.097 0.000 0.912 565 F CA -0.296 57.805 58.000 0.168 0.000 1.115 565 F CB 0.327 39.528 39.000 0.334 0.000 0.936 565 F HN -0.143 nan 8.300 nan 0.000 0.624 566 Y N -0.336 120.108 120.300 0.240 0.000 2.259 566 Y HA 0.188 4.739 4.550 0.002 0.000 0.285 566 Y C 0.498 176.436 175.900 0.064 0.000 1.130 566 Y CA 0.668 58.864 58.100 0.161 0.000 1.144 566 Y CB 0.255 38.759 38.460 0.074 0.000 1.093 566 Y HN -0.294 nan 8.280 nan 0.000 0.507 567 D N -0.684 119.719 120.400 0.006 0.000 2.513 567 D HA 0.265 4.906 4.640 0.002 0.000 0.295 567 D C -2.351 173.590 176.300 -0.599 0.000 1.202 567 D CA -2.240 51.593 54.000 -0.278 0.000 0.849 567 D CB 0.869 41.505 40.800 -0.275 0.000 1.116 567 D HN -0.084 nan 8.370 nan 0.000 0.502 568 P HA -0.157 nan 4.420 nan 0.000 0.214 568 P C 1.574 178.816 177.300 -0.096 0.000 1.163 568 P CA 1.126 64.107 63.100 -0.198 0.000 0.889 568 P CB 0.172 31.795 31.700 -0.128 0.000 0.790 569 M N -3.422 116.098 119.600 -0.133 0.000 2.492 569 M HA 0.095 4.576 4.480 0.002 0.000 0.262 569 M C 0.330 176.683 176.300 0.087 0.000 1.090 569 M CA 0.630 55.908 55.300 -0.037 0.000 1.110 569 M CB -1.143 31.384 32.600 -0.122 0.000 1.407 569 M HN -0.055 nan 8.290 nan 0.000 0.470 570 F N -0.449 119.378 119.950 -0.205 0.000 2.926 570 F HA -0.359 4.169 4.527 0.002 0.000 0.288 570 F C 1.189 176.903 175.800 -0.144 0.000 0.756 570 F CA 0.610 58.501 58.000 -0.181 0.000 1.292 570 F CB -1.821 37.080 39.000 -0.165 0.000 1.482 570 F HN 0.161 nan 8.300 nan 0.000 0.400 571 K N -0.275 120.007 120.400 -0.197 0.000 1.978 571 K HA -0.201 4.120 4.320 0.002 0.000 0.214 571 K C 1.520 178.050 176.600 -0.117 0.000 1.049 571 K CA 2.266 58.416 56.287 -0.229 0.000 0.939 571 K CB -0.492 31.719 32.500 -0.482 0.000 0.721 571 K HN 0.509 nan 8.250 nan 0.000 0.441 572 Y N 0.770 120.964 120.300 -0.177 0.000 2.139 572 Y HA -0.304 4.247 4.550 0.002 0.000 0.282 572 Y C 2.612 178.483 175.900 -0.048 0.000 1.179 572 Y CA 1.093 58.993 58.100 -0.333 0.000 1.161 572 Y CB -0.476 37.684 38.460 -0.500 0.000 0.970 572 Y HN 0.309 nan 8.280 nan 0.000 0.511 573 H N -0.782 118.346 119.070 0.097 0.000 2.357 573 H HA -0.172 4.385 4.556 0.002 0.000 0.301 573 H C 2.241 177.648 175.328 0.133 0.000 1.082 573 H CA 1.394 57.540 56.048 0.164 0.000 1.342 573 H CB -0.117 29.834 29.762 0.315 0.000 1.389 573 H HN 0.279 nan 8.280 nan 0.000 0.511 574 L N 0.599 121.955 121.223 0.223 0.000 2.046 574 L HA -0.143 4.198 4.340 0.002 0.000 0.208 574 L C 2.361 179.266 176.870 0.059 0.000 1.077 574 L CA 1.506 56.405 54.840 0.099 0.000 0.747 574 L CB -0.505 41.578 42.059 0.039 0.000 0.896 574 L HN 0.099 nan 8.230 nan 0.000 0.432 575 T N -1.202 113.397 114.554 0.075 0.000 2.614 575 T HA -0.194 4.157 4.350 0.002 0.000 0.263 575 T C 1.918 176.664 174.700 0.076 0.000 1.055 575 T CA 1.876 64.021 62.100 0.076 0.000 1.162 575 T CB -0.459 68.487 68.868 0.130 0.000 0.863 575 T HN 0.161 nan 8.240 nan 0.000 0.414 576 V N 1.975 121.953 119.914 0.107 0.000 2.313 576 V HA -0.301 3.820 4.120 0.002 0.000 0.253 576 V C 2.854 178.982 176.094 0.056 0.000 1.070 576 V CA 2.009 64.349 62.300 0.068 0.000 1.057 576 V CB -1.307 30.550 31.823 0.058 0.000 0.653 576 V HN 0.591 nan 8.190 nan 0.000 0.450 577 A N -0.753 122.108 122.820 0.068 0.000 1.908 577 A HA -0.313 4.008 4.320 0.002 0.000 0.218 577 A C 2.167 179.769 177.584 0.030 0.000 1.181 577 A CA 2.179 54.251 52.037 0.059 0.000 0.627 577 A CB -0.447 18.582 19.000 0.049 0.000 0.818 577 A HN 0.711 nan 8.150 nan 0.000 0.445 578 Q N -0.619 119.183 119.800 0.004 0.000 2.083 578 Q HA -0.060 4.281 4.340 0.002 0.000 0.198 578 Q C 2.157 178.195 176.000 0.062 0.000 0.969 578 Q CA 1.342 57.141 55.803 -0.006 0.000 0.838 578 Q CB -0.464 28.257 28.738 -0.028 0.000 0.900 578 Q HN 0.457 nan 8.270 nan 0.000 0.436 579 V N 1.634 121.575 119.914 0.045 0.000 2.219 579 V HA -0.327 3.794 4.120 0.002 0.000 0.248 579 V C 2.360 178.500 176.094 0.076 0.000 1.053 579 V CA 2.117 64.439 62.300 0.036 0.000 1.009 579 V CB -0.622 31.181 31.823 -0.033 0.000 0.636 579 V HN 0.326 nan 8.190 nan 0.000 0.445 580 R N -0.080 120.466 120.500 0.076 0.000 2.097 580 R HA -0.166 4.175 4.340 0.002 0.000 0.236 580 R C 2.476 178.892 176.300 0.194 0.000 1.135 580 R CA 1.732 57.898 56.100 0.110 0.000 0.934 580 R CB -1.224 29.142 30.300 0.109 0.000 0.846 580 R HN 0.614 nan 8.270 nan 0.000 0.431 581 G N 0.429 109.379 108.800 0.251 0.000 2.553 581 G HA2 -0.322 3.639 3.960 0.002 0.000 0.218 581 G HA3 -0.322 3.639 3.960 0.002 0.000 0.218 581 G C 1.568 176.701 174.900 0.387 0.000 1.195 581 G CA 1.219 46.582 45.100 0.438 0.000 0.779 581 G HN 0.496 nan 8.290 nan 0.000 0.577 582 G N 0.754 109.747 108.800 0.320 0.000 2.574 582 G HA2 -0.328 3.633 3.960 0.002 0.000 0.220 582 G HA3 -0.328 3.633 3.960 0.002 0.000 0.220 582 G C 1.864 176.933 174.900 0.283 0.000 1.173 582 G CA 1.709 46.977 45.100 0.280 0.000 0.772 582 G HN 0.326 nan 8.290 nan 0.000 0.585 583 M N 0.109 119.837 119.600 0.215 0.000 2.255 583 M HA -0.141 4.340 4.480 0.002 0.000 0.260 583 M C 2.802 179.221 176.300 0.198 0.000 1.069 583 M CA 1.336 56.746 55.300 0.184 0.000 1.089 583 M CB -1.571 31.107 32.600 0.131 0.000 1.269 583 M HN 0.128 nan 8.290 nan 0.000 0.434 584 V N 0.210 120.248 119.914 0.206 0.000 2.250 584 V HA -0.311 3.810 4.120 0.002 0.000 0.253 584 V C 2.253 178.468 176.094 0.202 0.000 1.065 584 V CA 2.335 64.747 62.300 0.187 0.000 1.039 584 V CB -0.960 31.029 31.823 0.276 0.000 0.647 584 V HN 0.274 nan 8.190 nan 0.000 0.446 585 F N 0.836 120.881 119.950 0.159 0.000 2.010 585 F HA -0.196 4.332 4.527 0.002 0.000 0.296 585 F C 2.618 178.475 175.800 0.094 0.000 1.146 585 F CA 2.276 60.355 58.000 0.132 0.000 1.181 585 F CB -0.482 38.548 39.000 0.050 0.000 0.965 585 F HN 0.107 nan 8.300 nan 0.000 0.480 586 E N 0.636 120.992 120.200 0.260 0.000 2.048 586 E HA -0.279 4.072 4.350 0.002 0.000 0.202 586 E C 2.401 179.008 176.600 0.010 0.000 1.021 586 E CA 2.068 58.548 56.400 0.132 0.000 0.825 586 E CB -1.061 28.754 29.700 0.191 0.000 0.756 586 E HN 0.464 nan 8.360 nan 0.000 0.454 587 L N 0.343 121.592 121.223 0.043 0.000 1.997 587 L HA -0.232 4.109 4.340 0.002 0.000 0.216 587 L C 2.310 179.125 176.870 -0.092 0.000 1.074 587 L CA 1.733 56.567 54.840 -0.011 0.000 0.763 587 L CB -0.476 41.618 42.059 0.058 0.000 0.890 587 L HN 0.082 nan 8.230 nan 0.000 0.434 588 A N -1.744 121.004 122.820 -0.120 0.000 2.276 588 A HA -0.020 4.301 4.320 0.002 0.000 0.212 588 A C 1.519 178.951 177.584 -0.253 0.000 1.230 588 A CA 1.075 52.997 52.037 -0.191 0.000 0.844 588 A CB -0.435 18.421 19.000 -0.240 0.000 0.860 588 A HN 0.530 nan 8.150 nan 0.000 0.486 589 N N -2.078 116.470 118.700 -0.253 0.000 2.066 589 N HA 0.033 4.774 4.740 0.002 0.000 0.232 589 N C 0.104 175.525 175.510 -0.148 0.000 1.316 589 N CA 0.440 53.331 53.050 -0.266 0.000 0.847 589 N CB 0.655 38.846 38.487 -0.493 0.000 1.165 589 N HN 0.091 nan 8.380 nan 0.000 0.471 590 S N 1.516 117.156 115.700 -0.100 0.000 2.455 590 S HA 0.170 4.641 4.470 0.002 0.000 0.278 590 S C 1.739 176.317 174.600 -0.035 0.000 1.216 590 S CA -0.526 57.654 58.200 -0.033 0.000 1.055 590 S CB -0.245 62.959 63.200 0.007 0.000 0.939 590 S HN 0.144 nan 8.310 nan 0.000 0.494 591 I N 5.291 125.853 120.570 -0.014 0.000 2.253 591 I HA -0.212 3.959 4.170 0.002 0.000 0.234 591 I C 1.141 177.265 176.117 0.012 0.000 0.978 591 I CA 1.570 62.870 61.300 -0.000 0.000 1.271 591 I CB -1.394 36.617 38.000 0.018 0.000 0.978 591 I HN 0.405 nan 8.210 nan 0.000 0.394 592 V N 2.607 122.543 119.914 0.036 0.000 2.481 592 V HA 0.213 4.334 4.120 0.002 0.000 0.286 592 V C 0.529 176.616 176.094 -0.011 0.000 1.042 592 V CA -0.684 61.649 62.300 0.055 0.000 0.928 592 V CB 1.519 33.417 31.823 0.125 0.000 0.986 592 V HN 0.131 nan 8.190 nan 0.000 0.462 593 L N 6.390 127.560 121.223 -0.088 0.000 2.525 593 L HA 0.085 4.426 4.340 0.002 0.000 0.278 593 L C -1.372 175.409 176.870 -0.148 0.000 1.218 593 L CA -0.981 53.701 54.840 -0.262 0.000 0.878 593 L CB 0.378 42.085 42.059 -0.587 0.000 1.127 593 L HN 0.523 nan 8.230 nan 0.000 0.492 594 P HA -0.078 nan 4.420 nan 0.000 0.261 594 P C -0.366 177.174 177.300 0.400 0.000 1.288 594 P CA 0.924 64.108 63.100 0.140 0.000 0.751 594 P CB -0.202 31.594 31.700 0.160 0.000 1.103 595 F N -0.300 119.730 119.950 0.133 0.000 2.378 595 F HA 0.312 4.840 4.527 0.002 0.000 0.325 595 F C 0.745 176.643 175.800 0.163 0.000 1.097 595 F CA -0.967 57.123 58.000 0.150 0.000 1.079 595 F CB 1.044 40.141 39.000 0.162 0.000 1.240 595 F HN -0.249 nan 8.300 nan 0.000 0.519 596 D N 0.790 121.396 120.400 0.342 0.000 2.364 596 D HA 0.181 4.822 4.640 0.002 0.000 0.251 596 D C 0.616 177.057 176.300 0.235 0.000 1.282 596 D CA -0.485 53.669 54.000 0.256 0.000 0.927 596 D CB 0.485 41.391 40.800 0.177 0.000 1.267 596 D HN 0.597 nan 8.370 nan 0.000 0.531 597 C N 1.958 121.434 119.300 0.294 0.000 2.392 597 C HA -0.237 4.224 4.460 0.002 0.000 0.276 597 C C 2.368 177.563 174.990 0.341 0.000 1.212 597 C CA 0.590 59.803 59.018 0.324 0.000 1.791 597 C CB -1.070 26.806 27.740 0.226 0.000 2.063 597 C HN 0.587 nan 8.230 nan 0.000 0.481 598 R N 1.467 122.111 120.500 0.241 0.000 2.133 598 R HA -0.138 4.203 4.340 0.002 0.000 0.247 598 R C 1.850 178.247 176.300 0.161 0.000 1.151 598 R CA 2.162 58.380 56.100 0.198 0.000 0.971 598 R CB -0.534 29.845 30.300 0.131 0.000 0.866 598 R HN 0.622 nan 8.270 nan 0.000 0.447 599 D N -0.374 120.075 120.400 0.081 0.000 2.144 599 D HA -0.172 4.469 4.640 0.002 0.000 0.199 599 D C 1.630 177.876 176.300 -0.090 0.000 0.984 599 D CA 1.180 55.133 54.000 -0.079 0.000 0.834 599 D CB -0.241 40.390 40.800 -0.282 0.000 0.955 599 D HN 0.306 nan 8.370 nan 0.000 0.465 600 Y N 1.327 121.596 120.300 -0.051 0.000 2.333 600 Y HA -0.205 4.346 4.550 0.002 0.000 0.290 600 Y C 2.380 178.196 175.900 -0.140 0.000 1.144 600 Y CA 1.014 59.047 58.100 -0.111 0.000 1.228 600 Y CB 0.111 38.556 38.460 -0.024 0.000 0.985 600 Y HN -0.064 nan 8.280 nan 0.000 0.542 601 A N -0.576 122.409 122.820 0.275 0.000 1.832 601 A HA -0.186 4.135 4.320 0.002 0.000 0.214 601 A C 2.270 179.906 177.584 0.086 0.000 1.200 601 A CA 2.006 54.205 52.037 0.270 0.000 0.610 601 A CB -1.296 17.947 19.000 0.405 0.000 0.842 601 A HN 0.204 nan 8.150 nan 0.000 0.444 602 V N 0.713 120.654 119.914 0.046 0.000 2.250 602 V HA -0.333 3.788 4.120 0.002 0.000 0.250 602 V C 2.732 178.751 176.094 -0.126 0.000 1.060 602 V CA 2.435 64.719 62.300 -0.027 0.000 1.030 602 V CB -1.734 30.063 31.823 -0.044 0.000 0.643 602 V HN 0.632 nan 8.190 nan 0.000 0.445 603 V N -1.505 118.274 119.914 -0.224 0.000 2.358 603 V HA -0.208 3.913 4.120 0.002 0.000 0.246 603 V C 2.277 177.972 176.094 -0.665 0.000 1.047 603 V CA 1.894 63.884 62.300 -0.517 0.000 1.035 603 V CB -0.912 30.615 31.823 -0.492 0.000 0.658 603 V HN 0.444 nan 8.190 nan 0.000 0.452 604 L N -0.114 120.982 121.223 -0.210 0.000 1.990 604 L HA -0.222 4.119 4.340 0.002 0.000 0.213 604 L C 2.949 179.870 176.870 0.084 0.000 1.072 604 L CA 2.464 57.331 54.840 0.044 0.000 0.755 604 L CB -0.706 41.354 42.059 0.001 0.000 0.889 604 L HN 0.366 nan 8.230 nan 0.000 0.432 605 R N 0.888 121.406 120.500 0.031 0.000 2.122 605 R HA -0.220 4.121 4.340 0.002 0.000 0.236 605 R C 2.174 178.525 176.300 0.085 0.000 1.129 605 R CA 1.967 58.121 56.100 0.090 0.000 0.925 605 R CB -0.460 29.895 30.300 0.092 0.000 0.850 605 R HN 0.205 nan 8.270 nan 0.000 0.431 606 K N -0.873 119.505 120.400 -0.037 0.000 2.052 606 K HA -0.267 4.054 4.320 0.002 0.000 0.215 606 K C 2.308 178.952 176.600 0.072 0.000 1.053 606 K CA 2.382 58.643 56.287 -0.043 0.000 0.934 606 K CB -0.598 31.775 32.500 -0.211 0.000 0.717 606 K HN 0.352 nan 8.250 nan 0.000 0.450 607 Y N 0.651 121.022 120.300 0.118 0.000 2.081 607 Y HA -0.336 4.215 4.550 0.002 0.000 0.280 607 Y C 2.729 178.814 175.900 0.308 0.000 1.163 607 Y CA 0.618 58.830 58.100 0.187 0.000 1.135 607 Y CB -0.400 38.100 38.460 0.068 0.000 0.970 607 Y HN 0.186 nan 8.280 nan 0.000 0.498 608 A N 0.484 123.543 122.820 0.399 0.000 1.859 608 A HA -0.258 4.063 4.320 0.002 0.000 0.217 608 A C 1.917 179.585 177.584 0.141 0.000 1.198 608 A CA 2.184 54.214 52.037 -0.012 0.000 0.629 608 A CB -0.941 17.758 19.000 -0.502 0.000 0.830 608 A HN 0.440 nan 8.150 nan 0.000 0.446 609 D N -0.347 120.229 120.400 0.292 0.000 2.137 609 D HA -0.231 4.410 4.640 0.002 0.000 0.189 609 D C 1.923 178.434 176.300 0.351 0.000 0.998 609 D CA 2.046 56.306 54.000 0.435 0.000 0.839 609 D CB -0.321 40.667 40.800 0.315 0.000 0.962 609 D HN 0.381 nan 8.370 nan 0.000 0.446 610 K N 1.121 121.685 120.400 0.272 0.000 2.034 610 K HA -0.199 4.122 4.320 0.002 0.000 0.214 610 K C 2.084 178.833 176.600 0.248 0.000 1.051 610 K CA 1.035 57.464 56.287 0.237 0.000 0.931 610 K CB -0.933 31.710 32.500 0.237 0.000 0.715 610 K HN 0.140 nan 8.250 nan 0.000 0.446 611 I N 0.127 120.878 120.570 0.301 0.000 2.315 611 I HA -0.171 4.000 4.170 0.002 0.000 0.248 611 I C 2.041 178.308 176.117 0.251 0.000 1.117 611 I CA 1.152 62.633 61.300 0.303 0.000 1.404 611 I CB -0.501 37.700 38.000 0.335 0.000 1.071 611 I HN 0.373 nan 8.210 nan 0.000 0.419 612 Y N 1.206 121.561 120.300 0.091 0.000 2.145 612 Y HA -0.286 4.266 4.550 0.002 0.000 0.286 612 Y C 2.742 178.537 175.900 -0.174 0.000 1.145 612 Y CA 1.934 59.903 58.100 -0.219 0.000 1.148 612 Y CB -0.915 37.598 38.460 0.090 0.000 0.981 612 Y HN 0.375 nan 8.280 nan 0.000 0.507 613 S N 0.014 115.650 115.700 -0.107 0.000 2.447 613 S HA -0.127 4.344 4.470 0.002 0.000 0.233 613 S C 1.859 176.378 174.600 -0.134 0.000 1.006 613 S CA 1.191 59.279 58.200 -0.187 0.000 0.957 613 S CB -0.786 62.416 63.200 0.004 0.000 0.773 613 S HN 0.451 nan 8.310 nan 0.000 0.507 614 I N 1.961 122.513 120.570 -0.029 0.000 2.252 614 I HA -0.052 4.119 4.170 0.002 0.000 0.245 614 I C 2.786 178.903 176.117 0.000 0.000 1.102 614 I CA 1.171 62.483 61.300 0.019 0.000 1.385 614 I CB -1.808 36.256 38.000 0.106 0.000 1.064 614 I HN 0.430 nan 8.210 nan 0.000 0.414 615 S N 0.426 116.109 115.700 -0.028 0.000 2.387 615 S HA -0.055 4.416 4.470 0.002 0.000 0.226 615 S C 1.835 176.419 174.600 -0.026 0.000 1.026 615 S CA 0.803 59.053 58.200 0.085 0.000 0.972 615 S CB -0.057 63.180 63.200 0.062 0.000 0.814 615 S HN 0.206 nan 8.310 nan 0.000 0.477 616 M N 1.365 120.770 119.600 -0.326 0.000 2.748 616 M HA 0.128 4.609 4.480 0.002 0.000 0.241 616 M C 1.180 177.360 176.300 -0.200 0.000 1.080 616 M CA 0.721 55.823 55.300 -0.329 0.000 1.068 616 M CB -0.873 31.404 32.600 -0.539 0.000 1.536 616 M HN 0.221 nan 8.290 nan 0.000 0.540 617 K N -0.422 119.867 120.400 -0.186 0.000 2.522 617 K HA -0.020 4.301 4.320 0.002 0.000 0.194 617 K C -0.086 176.161 176.600 -0.589 0.000 1.026 617 K CA 0.441 56.534 56.287 -0.324 0.000 1.119 617 K CB 0.268 32.565 32.500 -0.339 0.000 0.856 617 K HN 0.368 nan 8.250 nan 0.000 0.513 618 H N -0.819 118.249 119.070 -0.002 0.000 3.186 618 H HA 0.083 4.640 4.556 0.002 0.000 0.219 618 H C -2.090 173.188 175.328 -0.083 0.000 1.393 618 H CA -1.236 54.809 56.048 -0.005 0.000 1.183 618 H CB 0.746 30.561 29.762 0.090 0.000 2.346 618 H HN 0.050 nan 8.280 nan 0.000 0.535 619 P HA -0.303 nan 4.420 nan 0.000 0.220 619 P C 1.670 178.941 177.300 -0.048 0.000 1.155 619 P CA 1.551 64.622 63.100 -0.048 0.000 0.880 619 P CB 0.715 32.384 31.700 -0.051 0.000 0.790 620 Q N 0.160 119.941 119.800 -0.031 0.000 1.965 620 Q HA -0.186 4.155 4.340 0.002 0.000 0.200 620 Q C 2.252 178.197 176.000 -0.091 0.000 0.981 620 Q CA 1.633 57.410 55.803 -0.042 0.000 0.834 620 Q CB -0.336 28.393 28.738 -0.014 0.000 0.900 620 Q HN 0.109 nan 8.270 nan 0.000 0.426 621 E N 0.199 120.324 120.200 -0.126 0.000 2.219 621 E HA -0.208 4.143 4.350 0.002 0.000 0.198 621 E C 1.873 178.167 176.600 -0.510 0.000 0.998 621 E CA 1.441 57.665 56.400 -0.293 0.000 0.818 621 E CB -0.071 29.355 29.700 -0.456 0.000 0.741 621 E HN 0.415 nan 8.360 nan 0.000 0.477 622 M N -0.163 119.176 119.600 -0.434 0.000 2.077 622 M HA -0.178 4.303 4.480 0.002 0.000 0.261 622 M C 2.330 178.550 176.300 -0.133 0.000 1.070 622 M CA 1.467 56.565 55.300 -0.336 0.000 1.125 622 M CB -0.126 32.395 32.600 -0.132 0.000 1.339 622 M HN -0.075 nan 8.290 nan 0.000 0.409 623 K N -0.535 119.814 120.400 -0.085 0.000 2.148 623 K HA -0.101 4.220 4.320 0.002 0.000 0.204 623 K C 1.661 178.220 176.600 -0.068 0.000 1.050 623 K CA 1.514 57.774 56.287 -0.045 0.000 0.942 623 K CB 0.022 32.501 32.500 -0.035 0.000 0.724 623 K HN 0.233 nan 8.250 nan 0.000 0.446 624 T N 0.196 114.692 114.554 -0.096 0.000 2.607 624 T HA -0.188 4.163 4.350 0.002 0.000 0.267 624 T C 0.823 175.374 174.700 -0.248 0.000 1.049 624 T CA 1.665 63.663 62.100 -0.170 0.000 1.162 624 T CB -0.355 68.418 68.868 -0.159 0.000 0.863 624 T HN 0.268 nan 8.240 nan 0.000 0.424 625 Y N 1.291 121.478 120.300 -0.188 0.000 2.537 625 Y HA 0.469 5.020 4.550 0.002 0.000 0.303 625 Y C 1.186 177.060 175.900 -0.044 0.000 1.176 625 Y CA -0.638 57.398 58.100 -0.107 0.000 1.273 625 Y CB -0.592 37.799 38.460 -0.115 0.000 1.110 625 Y HN 0.120 nan 8.280 nan 0.000 0.518 626 S N 0.639 116.374 115.700 0.058 0.000 3.356 626 S HA -0.148 4.323 4.470 0.002 0.000 0.376 626 S C -0.462 174.214 174.600 0.126 0.000 0.924 626 S CA 0.062 58.304 58.200 0.070 0.000 1.316 626 S CB -1.190 62.040 63.200 0.050 0.000 0.922 626 S HN 0.194 nan 8.310 nan 0.000 0.553 627 V N 4.436 124.439 119.914 0.148 0.000 2.259 627 V HA 0.470 4.591 4.120 0.002 0.000 0.267 627 V C 0.626 176.920 176.094 0.333 0.000 1.051 627 V CA 0.081 62.534 62.300 0.254 0.000 0.830 627 V CB 1.023 33.048 31.823 0.337 0.000 1.080 627 V HN 0.716 nan 8.190 nan 0.000 0.467 628 S N 3.028 118.895 115.700 0.278 0.000 2.669 628 S HA 0.610 5.081 4.470 0.002 0.000 0.270 628 S C 0.072 174.938 174.600 0.444 0.000 1.225 628 S CA -0.104 58.298 58.200 0.336 0.000 0.991 628 S CB 0.966 64.283 63.200 0.195 0.000 0.987 628 S HN 0.488 nan 8.310 nan 0.000 0.552 629 F N -0.152 119.930 119.950 0.219 0.000 2.915 629 F HA 0.300 4.828 4.527 0.002 0.000 0.347 629 F C 1.370 177.328 175.800 0.264 0.000 1.104 629 F CA -0.480 57.674 58.000 0.256 0.000 1.126 629 F CB 0.313 39.569 39.000 0.426 0.000 1.145 629 F HN 0.510 nan 8.300 nan 0.000 0.541 630 D N 0.341 120.932 120.400 0.318 0.000 2.133 630 D HA -0.191 4.450 4.640 0.002 0.000 0.195 630 D C 2.214 178.630 176.300 0.194 0.000 0.997 630 D CA 2.047 56.184 54.000 0.228 0.000 0.840 630 D CB -0.456 40.424 40.800 0.134 0.000 0.947 630 D HN 0.293 nan 8.370 nan 0.000 0.452 631 S N 1.610 117.387 115.700 0.129 0.000 2.377 631 S HA -0.232 4.239 4.470 0.002 0.000 0.224 631 S C 2.103 176.743 174.600 0.067 0.000 1.042 631 S CA 1.082 59.337 58.200 0.091 0.000 1.086 631 S CB -0.936 62.308 63.200 0.073 0.000 0.995 631 S HN 0.214 nan 8.310 nan 0.000 0.428 632 L N 1.050 122.262 121.223 -0.018 0.000 1.971 632 L HA -0.008 4.333 4.340 0.002 0.000 0.215 632 L C 2.288 179.107 176.870 -0.086 0.000 1.072 632 L CA 1.732 56.492 54.840 -0.134 0.000 0.758 632 L CB -1.115 40.722 42.059 -0.370 0.000 0.889 632 L HN 0.285 nan 8.230 nan 0.000 0.433 633 F N -0.562 119.408 119.950 0.033 0.000 2.154 633 F HA -0.276 4.252 4.527 0.002 0.000 0.301 633 F C 2.864 178.693 175.800 0.048 0.000 1.087 633 F CA 1.713 59.734 58.000 0.036 0.000 1.274 633 F CB -0.717 38.280 39.000 -0.005 0.000 1.009 633 F HN 0.322 nan 8.300 nan 0.000 0.485 634 S N 0.119 115.950 115.700 0.217 0.000 2.349 634 S HA -0.231 4.240 4.470 0.002 0.000 0.216 634 S C 2.415 177.095 174.600 0.133 0.000 1.033 634 S CA 1.372 59.662 58.200 0.151 0.000 1.021 634 S CB -0.841 62.430 63.200 0.118 0.000 0.968 634 S HN 0.310 nan 8.310 nan 0.000 0.426 635 A N 1.211 124.097 122.820 0.111 0.000 1.909 635 A HA -0.157 4.164 4.320 0.002 0.000 0.221 635 A C 2.416 180.097 177.584 0.162 0.000 1.223 635 A CA 2.593 54.697 52.037 0.111 0.000 0.658 635 A CB -1.614 17.435 19.000 0.081 0.000 0.831 635 A HN 0.593 nan 8.150 nan 0.000 0.462 636 V N -0.138 119.864 119.914 0.147 0.000 2.282 636 V HA -0.343 3.778 4.120 0.002 0.000 0.249 636 V C 2.447 178.676 176.094 0.225 0.000 1.057 636 V CA 2.539 64.950 62.300 0.185 0.000 1.032 636 V CB -0.856 31.043 31.823 0.128 0.000 0.645 636 V HN 0.592 nan 8.190 nan 0.000 0.447 637 K N 0.344 120.857 120.400 0.189 0.000 1.988 637 K HA -0.282 4.039 4.320 0.002 0.000 0.221 637 K C 2.054 178.744 176.600 0.150 0.000 1.053 637 K CA 2.463 58.846 56.287 0.161 0.000 0.959 637 K CB -0.396 32.182 32.500 0.131 0.000 0.728 637 K HN 0.536 nan 8.250 nan 0.000 0.447 638 N N 0.411 119.187 118.700 0.127 0.000 2.061 638 N HA -0.213 4.528 4.740 0.002 0.000 0.193 638 N C 1.559 177.119 175.510 0.084 0.000 1.030 638 N CA 1.463 54.564 53.050 0.085 0.000 0.856 638 N CB -0.580 37.944 38.487 0.061 0.000 1.023 638 N HN 0.178 nan 8.380 nan 0.000 0.424 639 F N 1.603 121.578 119.950 0.042 0.000 2.063 639 F HA -0.295 4.233 4.527 0.002 0.000 0.298 639 F C 2.182 178.018 175.800 0.060 0.000 1.109 639 F CA 1.750 59.775 58.000 0.042 0.000 1.212 639 F CB -0.736 38.309 39.000 0.076 0.000 0.973 639 F HN -0.002 nan 8.300 nan 0.000 0.480 640 T N -0.054 114.687 114.554 0.312 0.000 2.684 640 T HA -0.227 4.124 4.350 0.002 0.000 0.267 640 T C 1.779 176.528 174.700 0.081 0.000 1.036 640 T CA 1.849 64.080 62.100 0.218 0.000 1.148 640 T CB -0.395 68.589 68.868 0.194 0.000 0.863 640 T HN 0.411 nan 8.240 nan 0.000 0.436 641 E N 0.283 120.518 120.200 0.058 0.000 2.072 641 E HA -0.074 4.277 4.350 0.002 0.000 0.191 641 E C 2.263 178.856 176.600 -0.012 0.000 0.985 641 E CA 0.781 57.198 56.400 0.027 0.000 0.801 641 E CB -0.116 29.604 29.700 0.032 0.000 0.750 641 E HN 0.364 nan 8.360 nan 0.000 0.452 642 I N 1.100 121.629 120.570 -0.069 0.000 2.252 642 I HA -0.193 3.978 4.170 0.002 0.000 0.245 642 I C 2.502 178.548 176.117 -0.118 0.000 1.102 642 I CA 0.979 62.210 61.300 -0.116 0.000 1.385 642 I CB -1.443 36.432 38.000 -0.209 0.000 1.064 642 I HN -0.011 nan 8.210 nan 0.000 0.414 643 A N 0.148 122.844 122.820 -0.207 0.000 1.930 643 A HA -0.198 4.123 4.320 0.002 0.000 0.217 643 A C 2.619 180.242 177.584 0.065 0.000 1.175 643 A CA 1.959 53.929 52.037 -0.110 0.000 0.627 643 A CB -0.778 18.139 19.000 -0.138 0.000 0.815 643 A HN 0.417 nan 8.150 nan 0.000 0.443 644 S N -0.150 115.574 115.700 0.040 0.000 2.365 644 S HA -0.251 4.220 4.470 0.002 0.000 0.221 644 S C 2.064 176.696 174.600 0.055 0.000 1.037 644 S CA 2.051 60.283 58.200 0.055 0.000 1.060 644 S CB -0.349 62.876 63.200 0.040 0.000 0.974 644 S HN 0.614 nan 8.310 nan 0.000 0.427 645 K N -0.332 120.095 120.400 0.044 0.000 2.063 645 K HA -0.109 4.212 4.320 0.002 0.000 0.208 645 K C 1.915 178.542 176.600 0.045 0.000 1.048 645 K CA 1.660 57.969 56.287 0.036 0.000 0.928 645 K CB -0.448 32.069 32.500 0.028 0.000 0.713 645 K HN 0.499 nan 8.250 nan 0.000 0.442 646 F N 1.630 121.557 119.950 -0.039 0.000 2.095 646 F HA -0.257 4.271 4.527 0.002 0.000 0.298 646 F C 2.578 178.382 175.800 0.006 0.000 1.104 646 F CA 1.669 59.650 58.000 -0.033 0.000 1.232 646 F CB -0.573 38.390 39.000 -0.061 0.000 0.987 646 F HN -0.075 nan 8.300 nan 0.000 0.475 647 S N -0.251 115.462 115.700 0.020 0.000 2.356 647 S HA -0.276 4.195 4.470 0.002 0.000 0.223 647 S C 2.180 176.724 174.600 -0.094 0.000 1.032 647 S CA 1.607 59.785 58.200 -0.037 0.000 1.005 647 S CB -0.690 62.566 63.200 0.093 0.000 0.867 647 S HN 0.656 nan 8.310 nan 0.000 0.449 648 E N 0.626 120.801 120.200 -0.043 0.000 2.049 648 E HA -0.233 4.118 4.350 0.002 0.000 0.198 648 E C 2.378 178.942 176.600 -0.059 0.000 1.007 648 E CA 1.147 57.529 56.400 -0.031 0.000 0.809 648 E CB -0.259 29.436 29.700 -0.009 0.000 0.749 648 E HN 0.420 nan 8.360 nan 0.000 0.450 649 R N 0.160 120.598 120.500 -0.105 0.000 2.193 649 R HA -0.147 4.194 4.340 0.002 0.000 0.229 649 R C 2.259 178.489 176.300 -0.116 0.000 1.110 649 R CA 0.648 56.682 56.100 -0.110 0.000 0.988 649 R CB -0.113 30.104 30.300 -0.140 0.000 0.871 649 R HN 0.224 nan 8.270 nan 0.000 0.458 650 L N 0.812 121.896 121.223 -0.231 0.000 2.240 650 L HA -0.073 4.268 4.340 0.002 0.000 0.211 650 L C 1.656 178.648 176.870 0.203 0.000 1.106 650 L CA 1.645 56.425 54.840 -0.100 0.000 0.793 650 L CB -0.068 41.805 42.059 -0.309 0.000 0.927 650 L HN 0.169 nan 8.230 nan 0.000 0.446 651 Q N -1.446 118.385 119.800 0.052 0.000 2.250 651 Q HA -0.065 4.276 4.340 0.002 0.000 0.200 651 Q C 1.372 177.336 176.000 -0.059 0.000 0.941 651 Q CA 0.982 56.777 55.803 -0.013 0.000 0.872 651 Q CB 0.143 28.869 28.738 -0.020 0.000 0.965 651 Q HN 0.455 nan 8.270 nan 0.000 0.480 652 D N 0.854 121.259 120.400 0.008 0.000 2.269 652 D HA -0.058 4.583 4.640 0.002 0.000 0.208 652 D C 0.433 176.740 176.300 0.011 0.000 0.963 652 D CA 0.352 54.351 54.000 -0.003 0.000 0.864 652 D CB 0.008 40.819 40.800 0.019 0.000 0.936 652 D HN 0.174 nan 8.370 nan 0.000 0.505 653 F N 2.420 122.334 119.950 -0.059 0.000 2.471 653 F HA 0.127 4.655 4.527 0.001 0.000 0.353 653 F C 0.439 176.218 175.800 -0.035 0.000 1.113 653 F CA -1.425 56.547 58.000 -0.046 0.000 1.262 653 F CB 0.378 39.345 39.000 -0.055 0.000 1.146 653 F HN -0.256 nan 8.300 nan 0.000 0.578 654 D N 4.224 124.579 120.400 -0.075 0.000 2.348 654 D HA 0.006 4.647 4.640 0.002 0.000 0.259 654 D C 0.142 176.342 176.300 -0.166 0.000 1.296 654 D CA -0.370 53.533 54.000 -0.161 0.000 0.931 654 D CB 1.002 41.780 40.800 -0.037 0.000 1.067 654 D HN 0.791 nan 8.370 nan 0.000 0.503 655 K N 1.254 121.404 120.400 -0.417 0.000 2.589 655 K HA -0.119 4.202 4.320 0.002 0.000 0.195 655 K C 1.772 178.360 176.600 -0.021 0.000 1.040 655 K CA 0.645 56.795 56.287 -0.229 0.000 0.950 655 K CB -0.065 32.253 32.500 -0.304 0.000 0.781 655 K HN 0.497 nan 8.250 nan 0.000 0.486 656 S N 1.161 116.847 115.700 -0.023 0.000 2.357 656 S HA -0.146 4.325 4.470 0.002 0.000 0.221 656 S C 1.078 175.701 174.600 0.038 0.000 1.031 656 S CA 0.395 58.597 58.200 0.003 0.000 0.982 656 S CB -0.409 62.787 63.200 -0.007 0.000 0.853 656 S HN 0.322 nan 8.310 nan 0.000 0.458 657 N N 3.843 122.584 118.700 0.068 0.000 2.399 657 N HA 0.114 4.855 4.740 0.002 0.000 0.259 657 N C -1.472 174.095 175.510 0.094 0.000 1.160 657 N CA -1.590 51.504 53.050 0.074 0.000 0.946 657 N CB 1.166 39.701 38.487 0.079 0.000 1.156 657 N HN 0.130 nan 8.380 nan 0.000 0.489 658 P HA -0.194 nan 4.420 nan 0.000 0.212 658 P C 1.549 178.870 177.300 0.035 0.000 1.178 658 P CA 1.229 64.358 63.100 0.049 0.000 0.915 658 P CB 0.235 31.949 31.700 0.024 0.000 0.788 659 I N -0.315 120.266 120.570 0.018 0.000 2.143 659 I HA -0.255 3.916 4.170 0.002 0.000 0.245 659 I C 2.773 178.880 176.117 -0.016 0.000 1.068 659 I CA 1.606 62.907 61.300 0.001 0.000 1.326 659 I CB -1.748 36.252 38.000 -0.001 0.000 1.028 659 I HN -0.180 nan 8.210 nan 0.000 0.412 660 V N 0.296 120.205 119.914 -0.007 0.000 2.261 660 V HA -0.274 3.847 4.120 0.002 0.000 0.246 660 V C 2.424 178.414 176.094 -0.174 0.000 1.047 660 V CA 1.976 64.231 62.300 -0.074 0.000 1.015 660 V CB -0.774 31.041 31.823 -0.013 0.000 0.642 660 V HN 0.458 nan 8.190 nan 0.000 0.446 661 L N 0.651 121.849 121.223 -0.043 0.000 1.991 661 L HA -0.274 4.067 4.340 0.002 0.000 0.221 661 L C 2.557 179.388 176.870 -0.066 0.000 1.079 661 L CA 2.797 57.633 54.840 -0.006 0.000 0.778 661 L CB -0.728 41.445 42.059 0.189 0.000 0.893 661 L HN 0.284 nan 8.230 nan 0.000 0.437 662 R N -0.464 120.023 120.500 -0.023 0.000 2.103 662 R HA -0.207 4.134 4.340 0.002 0.000 0.234 662 R C 2.259 178.545 176.300 -0.023 0.000 1.132 662 R CA 2.688 58.778 56.100 -0.017 0.000 0.925 662 R CB -0.713 29.581 30.300 -0.009 0.000 0.842 662 R HN 0.504 nan 8.270 nan 0.000 0.430 663 M N -0.494 119.081 119.600 -0.042 0.000 2.113 663 M HA -0.311 4.170 4.480 0.002 0.000 0.255 663 M C 2.295 178.578 176.300 -0.028 0.000 1.073 663 M CA 2.053 57.330 55.300 -0.037 0.000 1.091 663 M CB -0.369 32.196 32.600 -0.059 0.000 1.309 663 M HN 0.258 nan 8.290 nan 0.000 0.407 664 M N -0.190 119.345 119.600 -0.108 0.000 2.073 664 M HA -0.234 4.247 4.480 0.002 0.000 0.258 664 M C 1.905 178.252 176.300 0.078 0.000 1.070 664 M CA 1.811 57.066 55.300 -0.074 0.000 1.103 664 M CB -1.598 30.737 32.600 -0.441 0.000 1.321 664 M HN 0.328 nan 8.290 nan 0.000 0.405 665 N N 0.889 119.599 118.700 0.018 0.000 2.094 665 N HA -0.175 4.566 4.740 0.002 0.000 0.191 665 N C 1.248 176.798 175.510 0.067 0.000 1.023 665 N CA 1.468 54.541 53.050 0.037 0.000 0.857 665 N CB -0.447 38.036 38.487 -0.006 0.000 1.013 665 N HN 0.318 nan 8.380 nan 0.000 0.426 666 D N 0.911 121.368 120.400 0.095 0.000 2.178 666 D HA -0.106 4.535 4.640 0.002 0.000 0.201 666 D C 1.970 178.423 176.300 0.254 0.000 0.980 666 D CA 0.642 54.775 54.000 0.221 0.000 0.842 666 D CB -0.159 40.791 40.800 0.249 0.000 0.948 666 D HN 0.431 nan 8.370 nan 0.000 0.472 667 Q N -0.197 119.675 119.800 0.120 0.000 2.061 667 Q HA -0.162 4.179 4.340 0.002 0.000 0.204 667 Q C 2.119 178.113 176.000 -0.010 0.000 0.984 667 Q CA 0.744 56.546 55.803 -0.001 0.000 0.846 667 Q CB -0.140 28.542 28.738 -0.092 0.000 0.902 667 Q HN 0.221 nan 8.270 nan 0.000 0.421 668 L N 0.604 121.871 121.223 0.074 0.000 1.976 668 L HA -0.187 4.154 4.340 0.002 0.000 0.209 668 L C 2.424 179.471 176.870 0.295 0.000 1.071 668 L CA 1.742 56.696 54.840 0.190 0.000 0.746 668 L CB -1.062 41.136 42.059 0.232 0.000 0.890 668 L HN 0.318 nan 8.230 nan 0.000 0.432 669 M N -1.678 118.028 119.600 0.176 0.000 2.088 669 M HA -0.326 4.155 4.480 0.002 0.000 0.256 669 M C 2.188 178.509 176.300 0.035 0.000 1.071 669 M CA 2.155 57.519 55.300 0.106 0.000 1.097 669 M CB -0.312 32.200 32.600 -0.145 0.000 1.315 669 M HN 0.164 nan 8.290 nan 0.000 0.406 670 F N -0.086 119.908 119.950 0.074 0.000 2.604 670 F HA -0.074 4.454 4.527 0.001 0.000 0.298 670 F C 2.058 177.844 175.800 -0.024 0.000 1.131 670 F CA 0.361 58.370 58.000 0.015 0.000 1.457 670 F CB -0.270 38.707 39.000 -0.038 0.000 1.095 670 F HN 0.226 nan 8.300 nan 0.000 0.574 671 L N 0.261 121.568 121.223 0.140 0.000 1.989 671 L HA -0.274 4.067 4.340 0.002 0.000 0.211 671 L C 2.572 179.468 176.870 0.044 0.000 1.071 671 L CA 1.920 56.776 54.840 0.026 0.000 0.749 671 L CB -0.329 41.760 42.059 0.050 0.000 0.890 671 L HN 0.100 nan 8.230 nan 0.000 0.431 672 E N 0.391 120.678 120.200 0.145 0.000 2.114 672 E HA -0.315 4.036 4.350 0.002 0.000 0.199 672 E C 2.220 178.871 176.600 0.085 0.000 1.008 672 E CA 1.722 58.242 56.400 0.200 0.000 0.810 672 E CB -0.166 29.666 29.700 0.220 0.000 0.739 672 E HN 0.293 nan 8.360 nan 0.000 0.456 673 R N -0.809 119.723 120.500 0.052 0.000 2.148 673 R HA 0.042 4.383 4.340 0.002 0.000 0.227 673 R C 2.114 178.368 176.300 -0.078 0.000 1.103 673 R CA 0.959 57.065 56.100 0.010 0.000 0.983 673 R CB -0.286 30.091 30.300 0.129 0.000 0.874 673 R HN 0.248 nan 8.270 nan 0.000 0.451 674 A N -0.256 122.476 122.820 -0.146 0.000 2.076 674 A HA -0.148 4.173 4.320 0.002 0.000 0.220 674 A C 1.378 178.671 177.584 -0.486 0.000 1.160 674 A CA 1.066 52.902 52.037 -0.335 0.000 0.653 674 A CB -0.502 18.219 19.000 -0.464 0.000 0.801 674 A HN 0.360 nan 8.150 nan 0.000 0.455 675 F N -0.949 118.818 119.950 -0.305 0.000 2.731 675 F HA 0.279 4.807 4.527 0.002 0.000 0.304 675 F C -0.074 175.489 175.800 -0.394 0.000 1.133 675 F CA -0.265 57.510 58.000 -0.375 0.000 1.380 675 F CB 0.098 38.808 39.000 -0.484 0.000 1.079 675 F HN -0.028 nan 8.300 nan 0.000 0.550 676 I N 0.373 120.829 120.570 -0.189 0.000 2.304 676 I HA 0.076 4.247 4.170 0.002 0.000 0.291 676 I C -0.225 175.850 176.117 -0.070 0.000 1.018 676 I CA -0.527 60.689 61.300 -0.141 0.000 1.260 676 I CB 0.673 38.599 38.000 -0.122 0.000 1.390 676 I HN -0.153 nan 8.210 nan 0.000 0.475 677 D N 8.691 129.071 120.400 -0.033 0.000 2.411 677 D HA 0.290 4.931 4.640 0.002 0.000 0.225 677 D C -1.683 174.604 176.300 -0.022 0.000 1.156 677 D CA -1.913 52.080 54.000 -0.011 0.000 0.874 677 D CB 1.315 42.120 40.800 0.007 0.000 1.034 677 D HN 0.204 nan 8.370 nan 0.000 0.502 678 P HA -0.196 nan 4.420 nan 0.000 0.219 678 P C 0.992 178.260 177.300 -0.053 0.000 1.151 678 P CA 1.136 64.216 63.100 -0.034 0.000 0.850 678 P CB 0.147 31.831 31.700 -0.027 0.000 0.784 679 L N -2.974 118.218 121.223 -0.052 0.000 2.599 679 L HA 0.178 4.519 4.340 0.002 0.000 0.230 679 L C 1.460 178.279 176.870 -0.085 0.000 1.141 679 L CA 0.245 55.042 54.840 -0.071 0.000 0.877 679 L CB -1.344 40.679 42.059 -0.059 0.000 1.009 679 L HN 0.078 nan 8.230 nan 0.000 0.447 680 G N 0.488 109.249 108.800 -0.065 0.000 2.740 680 G HA2 -0.280 3.681 3.960 0.002 0.000 0.250 680 G HA3 -0.280 3.681 3.960 0.002 0.000 0.250 680 G C -0.238 174.640 174.900 -0.038 0.000 1.358 680 G CA -0.454 44.613 45.100 -0.055 0.000 0.897 680 G HN 0.072 nan 8.290 nan 0.000 0.567 681 L N 0.890 122.103 121.223 -0.016 0.000 2.468 681 L HA 0.372 4.713 4.340 0.002 0.000 0.254 681 L C -1.714 175.131 176.870 -0.041 0.000 1.171 681 L CA -1.747 53.088 54.840 -0.008 0.000 0.809 681 L CB 0.838 42.915 42.059 0.031 0.000 1.155 681 L HN 0.301 nan 8.230 nan 0.000 0.473 682 P HA -0.017 nan 4.420 nan 0.000 0.262 682 P C -0.745 176.517 177.300 -0.063 0.000 1.199 682 P CA 0.439 63.511 63.100 -0.046 0.000 0.763 682 P CB 0.166 31.847 31.700 -0.031 0.000 0.790 683 D N 2.045 122.398 120.400 -0.079 0.000 2.837 683 D HA -0.212 4.429 4.640 0.002 0.000 0.230 683 D C -0.364 175.865 176.300 -0.119 0.000 1.152 683 D CA 1.236 55.181 54.000 -0.092 0.000 0.736 683 D CB -0.945 39.813 40.800 -0.069 0.000 1.084 683 D HN 0.558 nan 8.370 nan 0.000 0.429 684 R N -1.073 119.337 120.500 -0.149 0.000 2.867 684 R HA 0.253 4.594 4.340 0.002 0.000 0.288 684 R C -2.387 173.755 176.300 -0.263 0.000 1.360 684 R CA -1.066 54.914 56.100 -0.200 0.000 1.042 684 R CB 1.689 31.921 30.300 -0.114 0.000 1.287 684 R HN -0.154 nan 8.270 nan 0.000 0.404 685 P HA 0.118 nan 4.420 nan 0.000 0.257 685 P C 0.050 176.974 177.300 -0.626 0.000 1.241 685 P CA 0.308 63.070 63.100 -0.563 0.000 0.816 685 P CB 0.317 31.582 31.700 -0.725 0.000 1.150 686 F N -2.101 117.715 119.950 -0.223 0.000 2.693 686 F HA 0.205 4.733 4.527 0.002 0.000 0.303 686 F C 0.593 176.341 175.800 -0.087 0.000 1.097 686 F CA -0.245 57.622 58.000 -0.223 0.000 1.330 686 F CB -0.051 38.759 39.000 -0.317 0.000 1.067 686 F HN -0.130 nan 8.300 nan 0.000 0.565 687 Y N 0.887 121.185 120.300 -0.004 0.000 2.402 687 Y HA 0.385 4.936 4.550 0.002 0.000 0.332 687 Y C 0.739 176.621 175.900 -0.030 0.000 0.960 687 Y CA -0.902 57.191 58.100 -0.012 0.000 1.228 687 Y CB 0.722 39.162 38.460 -0.033 0.000 1.120 687 Y HN -0.048 nan 8.280 nan 0.000 0.491 688 R N 0.767 121.356 120.500 0.148 0.000 2.565 688 R HA 0.064 4.405 4.340 0.002 0.000 0.347 688 R C -0.387 175.942 176.300 0.048 0.000 1.010 688 R CA -0.233 55.902 56.100 0.058 0.000 1.126 688 R CB 0.443 30.753 30.300 0.016 0.000 1.331 688 R HN 0.596 nan 8.270 nan 0.000 0.552 689 H N 1.225 120.259 119.070 -0.061 0.000 2.908 689 H HA 0.111 4.668 4.556 0.002 0.000 0.269 689 H C 1.351 176.610 175.328 -0.114 0.000 1.303 689 H CA -0.591 55.390 56.048 -0.112 0.000 1.341 689 H CB 0.626 30.247 29.762 -0.235 0.000 1.519 689 H HN -0.136 nan 8.280 nan 0.000 0.505 690 V N 4.960 124.968 119.914 0.157 0.000 2.353 690 V HA -0.400 3.721 4.120 0.002 0.000 0.260 690 V C 1.943 178.003 176.094 -0.057 0.000 1.091 690 V CA 1.578 63.932 62.300 0.090 0.000 1.088 690 V CB -0.569 31.333 31.823 0.130 0.000 0.672 690 V HN 0.774 nan 8.190 nan 0.000 0.455 691 I N -2.092 118.396 120.570 -0.138 0.000 2.368 691 I HA 0.060 4.231 4.170 0.002 0.000 0.238 691 I C 0.861 176.421 176.117 -0.929 0.000 1.076 691 I CA 0.850 61.672 61.300 -0.796 0.000 1.397 691 I CB -0.650 36.729 38.000 -1.035 0.000 1.141 691 I HN 0.264 nan 8.210 nan 0.000 0.430 692 Y N 0.825 120.637 120.300 -0.813 0.000 2.328 692 Y HA 0.641 5.192 4.550 0.002 0.000 0.337 692 Y C 0.117 175.761 175.900 -0.427 0.000 1.008 692 Y CA -0.680 57.051 58.100 -0.616 0.000 1.129 692 Y CB 1.350 39.515 38.460 -0.492 0.000 1.185 692 Y HN 0.214 nan 8.280 nan 0.000 0.476 693 A N 4.015 126.728 122.820 -0.179 0.000 2.594 693 A HA 0.466 4.787 4.320 0.002 0.000 0.301 693 A C -3.274 174.116 177.584 -0.323 0.000 1.022 693 A CA -1.560 50.312 52.037 -0.274 0.000 0.738 693 A CB 0.454 19.329 19.000 -0.210 0.000 1.263 693 A HN 0.426 nan 8.150 nan 0.000 0.409 694 P HA 0.118 nan 4.420 nan 0.000 0.261 694 P C 0.211 177.378 177.300 -0.222 0.000 1.173 694 P CA 0.629 63.508 63.100 -0.368 0.000 0.760 694 P CB 0.625 32.051 31.700 -0.457 0.000 0.783 695 S N 2.659 118.236 115.700 -0.206 0.000 2.549 695 S HA 0.040 4.511 4.470 0.002 0.000 0.279 695 S C 1.753 176.281 174.600 -0.119 0.000 1.321 695 S CA -0.051 58.056 58.200 -0.154 0.000 1.054 695 S CB 0.122 63.177 63.200 -0.242 0.000 0.899 695 S HN 0.442 nan 8.310 nan 0.000 0.497 696 S N 3.416 119.045 115.700 -0.118 0.000 2.380 696 S HA -0.165 4.306 4.470 0.002 0.000 0.229 696 S C 1.418 175.816 174.600 -0.336 0.000 1.043 696 S CA 1.600 59.656 58.200 -0.241 0.000 1.038 696 S CB -0.568 62.414 63.200 -0.362 0.000 0.872 696 S HN 0.873 nan 8.310 nan 0.000 0.456 697 H N 1.354 120.388 119.070 -0.059 0.000 2.366 697 H HA 0.171 4.728 4.556 0.002 0.000 0.330 697 H C 0.694 175.931 175.328 -0.151 0.000 1.142 697 H CA 0.808 56.789 56.048 -0.112 0.000 1.655 697 H CB -1.094 28.484 29.762 -0.307 0.000 1.519 697 H HN 0.494 nan 8.280 nan 0.000 0.609 698 N N 2.889 121.506 118.700 -0.139 0.000 2.439 698 N HA 0.005 4.746 4.740 0.002 0.000 0.243 698 N C 0.278 175.715 175.510 -0.121 0.000 1.088 698 N CA -0.044 52.942 53.050 -0.108 0.000 0.940 698 N CB 1.151 39.551 38.487 -0.144 0.000 1.180 698 N HN 0.288 nan 8.380 nan 0.000 0.505 699 K N 1.181 121.543 120.400 -0.063 0.000 2.148 699 K HA -0.173 4.148 4.320 0.002 0.000 0.204 699 K C 0.768 177.345 176.600 -0.038 0.000 1.050 699 K CA 1.101 57.320 56.287 -0.113 0.000 0.942 699 K CB -0.108 32.276 32.500 -0.194 0.000 0.724 699 K HN 0.493 nan 8.250 nan 0.000 0.446 700 Y N 0.818 121.096 120.300 -0.037 0.000 2.230 700 Y HA 0.123 4.674 4.550 0.002 0.000 0.294 700 Y C 1.670 177.528 175.900 -0.071 0.000 1.120 700 Y CA 0.679 58.790 58.100 0.019 0.000 1.129 700 Y CB -0.067 38.454 38.460 0.102 0.000 1.040 700 Y HN -0.087 nan 8.280 nan 0.000 0.519 701 A N 0.724 123.462 122.820 -0.137 0.000 2.412 701 A HA 0.404 4.725 4.320 0.002 0.000 0.253 701 A C 1.075 178.489 177.584 -0.283 0.000 1.334 701 A CA 0.386 52.282 52.037 -0.234 0.000 0.929 701 A CB -1.560 17.390 19.000 -0.084 0.000 0.983 701 A HN 0.425 nan 8.150 nan 0.000 0.508 702 G N -1.019 107.566 108.800 -0.358 0.000 2.547 702 G HA2 0.522 4.483 3.960 0.002 0.000 0.291 702 G HA3 0.522 4.483 3.960 0.002 0.000 0.291 702 G C -0.073 174.513 174.900 -0.524 0.000 1.211 702 G CA -0.360 44.396 45.100 -0.572 0.000 0.950 702 G HN 0.297 nan 8.290 nan 0.000 0.504 703 E N -0.837 118.948 120.200 -0.691 0.000 2.586 703 E HA 0.477 4.828 4.350 0.002 0.000 0.232 703 E C -0.107 176.297 176.600 -0.327 0.000 0.854 703 E CA -0.636 55.535 56.400 -0.381 0.000 0.938 703 E CB 1.118 30.684 29.700 -0.223 0.000 1.518 703 E HN 0.347 nan 8.360 nan 0.000 0.400 704 S N -0.776 114.752 115.700 -0.287 0.000 2.730 704 S HA 0.421 4.892 4.470 0.002 0.000 0.284 704 S C -0.283 174.206 174.600 -0.185 0.000 1.153 704 S CA -0.592 57.312 58.200 -0.494 0.000 0.995 704 S CB 0.170 62.701 63.200 -1.114 0.000 1.058 704 S HN 0.535 nan 8.310 nan 0.000 0.552 705 F N -0.663 119.133 119.950 -0.256 0.000 3.027 705 F HA -0.142 4.386 4.527 0.002 0.000 0.276 705 F C -2.000 173.781 175.800 -0.033 0.000 0.967 705 F CA -0.453 57.478 58.000 -0.115 0.000 0.929 705 F CB -1.619 37.353 39.000 -0.047 0.000 0.873 705 F HN 0.445 nan 8.300 nan 0.000 0.787 706 P HA -0.267 nan 4.420 nan 0.000 0.218 706 P C 1.921 179.299 177.300 0.131 0.000 1.154 706 P CA 2.194 65.328 63.100 0.058 0.000 0.872 706 P CB -0.037 31.636 31.700 -0.045 0.000 0.790 707 G N -0.303 108.560 108.800 0.105 0.000 2.553 707 G HA2 -0.296 3.665 3.960 0.002 0.000 0.218 707 G HA3 -0.296 3.665 3.960 0.002 0.000 0.218 707 G C 1.424 176.383 174.900 0.097 0.000 1.195 707 G CA 1.250 46.401 45.100 0.084 0.000 0.779 707 G HN 0.225 nan 8.290 nan 0.000 0.577 708 I N -0.693 119.950 120.570 0.121 0.000 2.142 708 I HA -0.127 4.044 4.170 0.002 0.000 0.240 708 I C 2.386 178.583 176.117 0.134 0.000 1.078 708 I CA 1.321 62.680 61.300 0.098 0.000 1.343 708 I CB -0.576 37.480 38.000 0.095 0.000 1.046 708 I HN 0.251 nan 8.210 nan 0.000 0.405 709 Y N 2.068 122.426 120.300 0.097 0.000 2.014 709 Y HA -0.409 4.142 4.550 0.002 0.000 0.272 709 Y C 2.399 178.372 175.900 0.122 0.000 1.164 709 Y CA 2.267 60.425 58.100 0.098 0.000 1.114 709 Y CB -0.490 38.002 38.460 0.053 0.000 0.961 709 Y HN 0.247 nan 8.280 nan 0.000 0.489 710 D N 0.088 120.660 120.400 0.287 0.000 2.158 710 D HA -0.244 4.397 4.640 0.002 0.000 0.197 710 D C 2.268 178.670 176.300 0.169 0.000 0.995 710 D CA 1.473 55.660 54.000 0.313 0.000 0.846 710 D CB -0.763 40.160 40.800 0.206 0.000 0.941 710 D HN 0.528 nan 8.370 nan 0.000 0.456 711 A N 0.911 123.761 122.820 0.050 0.000 1.883 711 A HA -0.147 4.174 4.320 0.002 0.000 0.217 711 A C 2.417 179.888 177.584 -0.189 0.000 1.186 711 A CA 1.107 53.107 52.037 -0.062 0.000 0.624 711 A CB -0.795 18.158 19.000 -0.077 0.000 0.822 711 A HN 0.218 nan 8.150 nan 0.000 0.444 712 L N -2.116 118.990 121.223 -0.195 0.000 2.240 712 L HA 0.081 4.422 4.340 0.002 0.000 0.211 712 L C 0.930 177.656 176.870 -0.241 0.000 1.106 712 L CA -0.355 54.315 54.840 -0.284 0.000 0.793 712 L CB -0.345 41.612 42.059 -0.170 0.000 0.927 712 L HN 0.385 nan 8.230 nan 0.000 0.446 713 F N 2.679 122.371 119.950 -0.430 0.000 2.549 713 F HA -0.157 4.371 4.527 0.002 0.000 0.400 713 F C 1.313 176.901 175.800 -0.353 0.000 1.011 713 F CA 0.269 57.994 58.000 -0.457 0.000 1.148 713 F CB -0.404 38.313 39.000 -0.471 0.000 0.993 713 F HN 0.171 nan 8.300 nan 0.000 0.540 714 D N 4.862 124.796 120.400 -0.775 0.000 2.811 714 D HA -0.309 4.332 4.640 0.002 0.000 0.231 714 D C 1.373 177.444 176.300 -0.380 0.000 1.157 714 D CA 0.997 54.605 54.000 -0.654 0.000 0.716 714 D CB -1.035 39.208 40.800 -0.929 0.000 1.077 714 D HN 0.802 nan 8.370 nan 0.000 0.428 715 I N 0.090 120.470 120.570 -0.318 0.000 2.454 715 I HA -0.237 3.934 4.170 0.002 0.000 0.254 715 I C 2.129 178.105 176.117 -0.235 0.000 1.156 715 I CA 1.210 62.310 61.300 -0.333 0.000 1.433 715 I CB 0.075 37.763 38.000 -0.519 0.000 1.082 715 I HN 0.138 nan 8.210 nan 0.000 0.432 716 E N 0.488 120.584 120.200 -0.173 0.000 2.055 716 E HA -0.295 4.056 4.350 0.002 0.000 0.209 716 E C 1.686 178.240 176.600 -0.077 0.000 1.036 716 E CA 2.005 58.352 56.400 -0.087 0.000 0.849 716 E CB -0.331 29.372 29.700 0.004 0.000 0.767 716 E HN 0.575 nan 8.360 nan 0.000 0.461 717 S N 0.724 116.365 115.700 -0.098 0.000 2.859 717 S HA 0.107 4.578 4.470 0.002 0.000 0.245 717 S C 0.229 174.778 174.600 -0.084 0.000 1.008 717 S CA -0.322 57.831 58.200 -0.077 0.000 1.089 717 S CB 0.042 63.195 63.200 -0.080 0.000 0.798 717 S HN -0.064 nan 8.310 nan 0.000 0.477 718 K N 1.563 121.904 120.400 -0.098 0.000 2.316 718 K HA 0.382 4.703 4.320 0.002 0.000 0.289 718 K C 0.977 177.547 176.600 -0.050 0.000 1.070 718 K CA -0.316 55.915 56.287 -0.094 0.000 0.928 718 K CB 0.475 32.888 32.500 -0.145 0.000 1.039 718 K HN 0.045 nan 8.250 nan 0.000 0.480 719 V N 2.078 121.971 119.914 -0.035 0.000 2.250 719 V HA -0.235 3.886 4.120 0.002 0.000 0.250 719 V C 0.919 177.014 176.094 0.002 0.000 1.060 719 V CA 2.010 64.302 62.300 -0.013 0.000 1.030 719 V CB -0.423 31.394 31.823 -0.009 0.000 0.643 719 V HN 0.823 nan 8.190 nan 0.000 0.445 720 D N -0.131 120.268 120.400 -0.002 0.000 2.518 720 D HA 0.203 4.844 4.640 0.002 0.000 0.230 720 D C -1.689 174.623 176.300 0.021 0.000 1.138 720 D CA -2.242 51.770 54.000 0.019 0.000 0.964 720 D CB 1.348 42.158 40.800 0.017 0.000 1.011 720 D HN 0.156 nan 8.370 nan 0.000 0.517 721 P HA -0.196 nan 4.420 nan 0.000 0.218 721 P C 1.343 178.621 177.300 -0.036 0.000 1.147 721 P CA 0.934 64.056 63.100 0.038 0.000 0.827 721 P CB 0.429 32.213 31.700 0.139 0.000 0.778 722 S N -1.050 114.729 115.700 0.132 0.000 2.336 722 S HA -0.083 4.388 4.470 0.002 0.000 0.216 722 S C 1.796 176.460 174.600 0.105 0.000 1.032 722 S CA 1.014 59.358 58.200 0.241 0.000 0.973 722 S CB -0.477 62.902 63.200 0.299 0.000 0.888 722 S HN 0.032 nan 8.310 nan 0.000 0.455 723 K N 1.142 121.580 120.400 0.064 0.000 2.103 723 K HA -0.049 4.272 4.320 0.002 0.000 0.207 723 K C 2.347 178.928 176.600 -0.031 0.000 1.048 723 K CA 1.022 57.325 56.287 0.027 0.000 0.930 723 K CB -0.473 32.035 32.500 0.013 0.000 0.716 723 K HN 0.438 nan 8.250 nan 0.000 0.444 724 A N 1.062 123.830 122.820 -0.087 0.000 1.896 724 A HA -0.220 4.101 4.320 0.002 0.000 0.220 724 A C 1.759 179.108 177.584 -0.391 0.000 1.206 724 A CA 1.907 53.800 52.037 -0.240 0.000 0.647 724 A CB -1.053 17.780 19.000 -0.277 0.000 0.828 724 A HN 0.500 nan 8.150 nan 0.000 0.455 725 W N -0.653 120.507 121.300 -0.232 0.000 2.770 725 W HA 0.247 4.908 4.660 0.002 0.000 0.256 725 W C 2.431 178.912 176.519 -0.063 0.000 1.291 725 W CA 0.425 57.664 57.345 -0.177 0.000 1.396 725 W CB -0.532 28.743 29.460 -0.310 0.000 1.114 725 W HN 0.392 nan 8.180 nan 0.000 0.637 726 G N 0.466 109.329 108.800 0.105 0.000 2.446 726 G HA2 -0.336 3.625 3.960 0.002 0.000 0.217 726 G HA3 -0.336 3.625 3.960 0.002 0.000 0.217 726 G C 1.338 176.265 174.900 0.044 0.000 1.168 726 G CA 1.536 46.692 45.100 0.093 0.000 0.771 726 G HN 0.218 nan 8.290 nan 0.000 0.551 727 E N 0.319 120.510 120.200 -0.016 0.000 2.038 727 E HA -0.113 4.238 4.350 0.002 0.000 0.195 727 E C 2.701 179.278 176.600 -0.039 0.000 1.000 727 E CA 1.220 57.599 56.400 -0.035 0.000 0.803 727 E CB -0.630 29.025 29.700 -0.075 0.000 0.750 727 E HN 0.190 nan 8.360 nan 0.000 0.448 728 V N 0.779 120.634 119.914 -0.098 0.000 2.255 728 V HA -0.271 3.850 4.120 0.002 0.000 0.247 728 V C 2.454 178.560 176.094 0.021 0.000 1.051 728 V CA 2.235 64.493 62.300 -0.070 0.000 1.018 728 V CB -0.557 31.175 31.823 -0.151 0.000 0.641 728 V HN 0.290 nan 8.190 nan 0.000 0.445 729 K N -0.512 119.949 120.400 0.101 0.000 2.286 729 K HA -0.252 4.069 4.320 0.002 0.000 0.203 729 K C 2.292 178.933 176.600 0.069 0.000 1.045 729 K CA 1.601 57.951 56.287 0.106 0.000 0.935 729 K CB -0.099 32.493 32.500 0.153 0.000 0.737 729 K HN 0.398 nan 8.250 nan 0.000 0.460 730 R N -0.078 120.464 120.500 0.070 0.000 2.057 730 R HA -0.080 4.261 4.340 0.002 0.000 0.224 730 R C 2.114 178.480 176.300 0.110 0.000 1.136 730 R CA 1.164 57.337 56.100 0.122 0.000 0.968 730 R CB -0.096 30.258 30.300 0.090 0.000 0.863 730 R HN 0.026 nan 8.270 nan 0.000 0.433 731 Q N 0.744 120.561 119.800 0.028 0.000 2.170 731 Q HA -0.135 4.206 4.340 0.002 0.000 0.203 731 Q C 1.988 177.958 176.000 -0.050 0.000 0.976 731 Q CA 1.966 57.766 55.803 -0.005 0.000 0.858 731 Q CB -0.312 28.425 28.738 -0.002 0.000 0.907 731 Q HN 0.579 nan 8.270 nan 0.000 0.433 732 I N -1.789 118.715 120.570 -0.109 0.000 2.208 732 I HA -0.273 3.898 4.170 0.002 0.000 0.245 732 I C 2.073 178.136 176.117 -0.090 0.000 1.097 732 I CA 1.629 62.771 61.300 -0.264 0.000 1.363 732 I CB -1.109 36.610 38.000 -0.468 0.000 1.051 732 I HN 0.155 nan 8.210 nan 0.000 0.413 733 Y N 2.355 122.590 120.300 -0.109 0.000 2.070 733 Y HA -0.193 4.358 4.550 0.002 0.000 0.280 733 Y C 2.402 178.319 175.900 0.028 0.000 1.148 733 Y CA 2.108 60.185 58.100 -0.039 0.000 1.125 733 Y CB -1.137 37.304 38.460 -0.031 0.000 0.975 733 Y HN 0.069 nan 8.280 nan 0.000 0.492 734 V N 1.407 121.139 119.914 -0.304 0.000 2.255 734 V HA -0.328 3.793 4.120 0.002 0.000 0.247 734 V C 2.866 178.935 176.094 -0.041 0.000 1.051 734 V CA 2.215 64.331 62.300 -0.306 0.000 1.018 734 V CB -2.033 29.677 31.823 -0.188 0.000 0.641 734 V HN 0.573 nan 8.190 nan 0.000 0.445 735 A N 0.340 123.154 122.820 -0.010 0.000 1.903 735 A HA -0.251 4.070 4.320 0.002 0.000 0.219 735 A C 2.458 180.073 177.584 0.053 0.000 1.191 735 A CA 2.927 55.007 52.037 0.072 0.000 0.638 735 A CB -1.065 17.903 19.000 -0.053 0.000 0.823 735 A HN 0.662 nan 8.150 nan 0.000 0.451 736 A N -1.068 121.744 122.820 -0.013 0.000 1.851 736 A HA -0.044 4.277 4.320 0.002 0.000 0.216 736 A C 2.067 179.693 177.584 0.070 0.000 1.195 736 A CA 1.821 53.872 52.037 0.023 0.000 0.622 736 A CB -0.920 18.108 19.000 0.047 0.000 0.831 736 A HN 0.860 nan 8.150 nan 0.000 0.444 737 F N 1.744 121.665 119.950 -0.049 0.000 2.043 737 F HA -0.248 4.280 4.527 0.002 0.000 0.297 737 F C 2.431 178.198 175.800 -0.055 0.000 1.118 737 F CA 2.593 60.555 58.000 -0.064 0.000 1.202 737 F CB -1.108 37.770 39.000 -0.203 0.000 0.965 737 F HN 0.250 nan 8.300 nan 0.000 0.482 738 T N 0.939 115.330 114.554 -0.273 0.000 2.580 738 T HA -0.241 4.110 4.350 0.002 0.000 0.265 738 T C 2.145 176.674 174.700 -0.284 0.000 1.063 738 T CA 2.419 64.306 62.100 -0.355 0.000 1.170 738 T CB -1.095 67.742 68.868 -0.052 0.000 0.863 738 T HN 0.201 nan 8.240 nan 0.000 0.418 739 V N 1.850 121.743 119.914 -0.036 0.000 2.278 739 V HA -0.282 3.839 4.120 0.002 0.000 0.251 739 V C 2.674 178.766 176.094 -0.002 0.000 1.062 739 V CA 2.265 64.601 62.300 0.059 0.000 1.038 739 V CB -0.927 30.986 31.823 0.150 0.000 0.646 739 V HN 0.386 nan 8.190 nan 0.000 0.447 740 Q N 0.721 120.481 119.800 -0.067 0.000 2.002 740 Q HA -0.175 4.166 4.340 0.002 0.000 0.204 740 Q C 2.186 178.069 176.000 -0.194 0.000 0.988 740 Q CA 2.566 58.326 55.803 -0.072 0.000 0.843 740 Q CB -0.849 27.858 28.738 -0.051 0.000 0.908 740 Q HN 0.574 nan 8.270 nan 0.000 0.420 741 A N 0.450 123.013 122.820 -0.429 0.000 1.908 741 A HA -0.097 4.224 4.320 0.002 0.000 0.218 741 A C 2.336 179.690 177.584 -0.383 0.000 1.181 741 A CA 2.217 53.971 52.037 -0.472 0.000 0.627 741 A CB -1.341 17.172 19.000 -0.813 0.000 0.818 741 A HN 0.579 nan 8.150 nan 0.000 0.445 742 A N -0.271 122.275 122.820 -0.456 0.000 1.940 742 A HA 0.096 4.417 4.320 0.002 0.000 0.219 742 A C 2.473 179.890 177.584 -0.279 0.000 1.176 742 A CA 2.302 53.989 52.037 -0.583 0.000 0.631 742 A CB -0.932 17.340 19.000 -1.213 0.000 0.814 742 A HN 1.047 nan 8.150 nan 0.000 0.446 743 A N -0.161 122.599 122.820 -0.099 0.000 1.840 743 A HA -0.124 4.197 4.320 0.002 0.000 0.214 743 A C 1.805 179.234 177.584 -0.259 0.000 1.198 743 A CA 1.385 53.293 52.037 -0.215 0.000 0.608 743 A CB -0.670 18.282 19.000 -0.080 0.000 0.839 743 A HN 0.588 nan 8.150 nan 0.000 0.443 744 E N -0.342 119.745 120.200 -0.187 0.000 2.301 744 E HA -0.197 4.154 4.350 0.002 0.000 0.202 744 E C 1.898 178.391 176.600 -0.178 0.000 1.017 744 E CA 1.533 57.838 56.400 -0.158 0.000 0.831 744 E CB -0.522 29.100 29.700 -0.129 0.000 0.742 744 E HN 0.665 nan 8.360 nan 0.000 0.491 745 T N 1.572 115.993 114.554 -0.221 0.000 2.652 745 T HA -0.156 4.195 4.350 0.002 0.000 0.267 745 T C 1.858 176.411 174.700 -0.246 0.000 1.039 745 T CA 1.011 62.977 62.100 -0.224 0.000 1.153 745 T CB -0.212 68.508 68.868 -0.246 0.000 0.863 745 T HN 0.165 nan 8.240 nan 0.000 0.428 746 L N 1.092 122.114 121.223 -0.334 0.000 2.551 746 L HA 0.091 4.432 4.340 0.002 0.000 0.228 746 L C 1.517 178.286 176.870 -0.169 0.000 1.153 746 L CA -0.126 54.454 54.840 -0.434 0.000 0.851 746 L CB -0.420 41.295 42.059 -0.573 0.000 0.959 746 L HN 0.138 nan 8.230 nan 0.000 0.451 747 S N 0.301 115.919 115.700 -0.137 0.000 2.585 747 S HA 0.038 4.509 4.470 0.002 0.000 0.273 747 S C 0.338 174.924 174.600 -0.023 0.000 1.339 747 S CA -0.603 57.560 58.200 -0.061 0.000 1.028 747 S CB 0.408 63.562 63.200 -0.076 0.000 0.906 747 S HN 0.209 nan 8.310 nan 0.000 0.528 748 E N 1.934 122.136 120.200 0.004 0.000 2.820 748 E HA -0.016 4.335 4.350 0.002 0.000 0.251 748 E C 0.220 176.811 176.600 -0.016 0.000 0.944 748 E CA -0.036 56.368 56.400 0.007 0.000 0.955 748 E CB 0.093 29.795 29.700 0.003 0.000 0.904 748 E HN 0.522 nan 8.360 nan 0.000 0.513 749 V N 1.378 121.281 119.914 -0.017 0.000 2.763 749 V HA 0.390 4.511 4.120 0.002 0.000 0.306 749 V C 0.690 176.766 176.094 -0.030 0.000 1.059 749 V CA -0.205 62.074 62.300 -0.035 0.000 1.138 749 V CB 0.227 32.027 31.823 -0.039 0.000 0.940 749 V HN 0.985 nan 8.190 nan 0.000 0.489 750 A N 0.000 122.799 122.820 -0.035 0.000 2.254 750 A HA 0.000 4.321 4.320 0.002 0.000 0.244 750 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 750 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 750 A HN 0.000 nan 8.150 nan 0.000 0.486