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 2vqa_1_B DATA FIRST_RESID 39 DATA SEQUENCE WRSLSNVVWG KDLPAFTYAF SKTPLVLYDG GTTKQVGTYN FPVSKGMAGV DATA SEQUENCE YMSLEPGAIR ELHWHANAAE WAYVMEGRTR ITLTSPEGKV EIADVDKGGL DATA SEQUENCE WYFPRGWGHS IEGIGPDTAK FLLVFNDGTF SEGATFSVTD WLSHTPIAWV DATA SEQUENCE EENLGWTAAQ VAQLPKKQVY ISSYGPASGP LASATPQGQT AKIEVPHTHN DATA SEQUENCE LLGQQPLVSL GGNELRLASA KEFPGSFNMT GALIHLEPGA MRQLHWHPNA DATA SEQUENCE DEWQYVLDGE MDLTVFASEG KASVSRLQQG DVGYVPKGYG HAIRNSSQKP DATA SEQUENCE LDIVVVFNDG DYQSIDLSTW LASNPSSVLG NTFQISPELT KKLPVQDTIF DATA SEQUENCE SLPTQP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 W HA 0.000 nan 4.660 nan 0.000 0.303 39 W C 0.000 176.699 176.519 0.300 0.000 1.175 39 W CA 0.000 57.401 57.345 0.093 0.000 1.226 39 W CB 0.000 29.406 29.460 -0.090 0.000 1.126 40 R N 1.607 122.340 120.500 0.389 0.000 2.679 40 R HA 0.514 4.854 4.340 0.000 0.000 0.269 40 R C 0.663 177.167 176.300 0.339 0.000 1.076 40 R CA 0.192 56.482 56.100 0.318 0.000 1.160 40 R CB 1.459 31.863 30.300 0.174 0.000 1.054 40 R HN 0.385 nan 8.270 nan 0.000 0.507 41 S N 0.573 116.406 115.700 0.221 0.000 2.595 41 S HA 0.286 4.756 4.470 0.000 0.000 0.281 41 S C 0.854 175.480 174.600 0.044 0.000 1.117 41 S CA -0.995 57.291 58.200 0.142 0.000 0.873 41 S CB 1.215 64.430 63.200 0.024 0.000 1.108 41 S HN 0.559 nan 8.310 nan 0.000 0.477 42 L N 1.594 122.833 121.223 0.028 0.000 2.131 42 L HA -0.067 4.273 4.340 0.000 0.000 0.210 42 L C 2.770 179.629 176.870 -0.020 0.000 1.092 42 L CA 1.633 56.478 54.840 0.008 0.000 0.759 42 L CB -0.617 41.447 42.059 0.009 0.000 0.903 42 L HN 0.949 nan 8.230 nan 0.000 0.435 43 S N -1.864 113.805 115.700 -0.053 0.000 2.501 43 S HA -0.036 4.434 4.470 0.000 0.000 0.220 43 S C 1.010 175.552 174.600 -0.096 0.000 0.997 43 S CA 0.130 58.286 58.200 -0.072 0.000 0.919 43 S CB -0.054 63.091 63.200 -0.090 0.000 0.778 43 S HN 0.494 nan 8.310 nan 0.000 0.523 44 N N 0.629 119.257 118.700 -0.120 0.000 2.782 44 N HA -0.134 4.606 4.740 0.000 0.000 0.251 44 N C 0.041 175.413 175.510 -0.231 0.000 1.101 44 N CA 0.824 53.793 53.050 -0.135 0.000 0.764 44 N CB -2.181 36.268 38.487 -0.064 0.000 1.122 44 N HN 0.553 nan 8.380 nan 0.000 0.561 45 V N 0.870 120.574 119.914 -0.349 0.000 2.843 45 V HA -0.086 4.034 4.120 0.000 0.000 0.305 45 V C 0.773 176.582 176.094 -0.476 0.000 1.120 45 V CA 0.232 62.294 62.300 -0.396 0.000 1.254 45 V CB 0.880 32.403 31.823 -0.499 0.000 0.901 45 V HN 0.058 nan 8.190 nan 0.000 0.503 46 V N 8.718 128.484 119.914 -0.247 0.000 2.352 46 V HA 0.146 4.266 4.120 0.000 0.000 0.253 46 V C 0.073 176.130 176.094 -0.062 0.000 1.083 46 V CA -0.403 61.818 62.300 -0.131 0.000 0.993 46 V CB -0.452 31.356 31.823 -0.026 0.000 1.111 46 V HN 0.935 nan 8.190 nan 0.000 0.490 47 W N 3.926 125.271 121.300 0.074 0.000 2.377 47 W HA 0.383 5.043 4.660 0.000 0.000 0.341 47 W C 1.541 178.103 176.519 0.072 0.000 1.240 47 W CA 1.368 58.755 57.345 0.069 0.000 1.311 47 W CB 0.078 29.571 29.460 0.056 0.000 1.175 47 W HN 0.873 nan 8.180 nan 0.000 0.571 48 G N 1.227 110.237 108.800 0.351 0.000 2.320 48 G HA2 -0.411 3.549 3.960 0.000 0.000 0.242 48 G HA3 -0.411 3.549 3.960 0.000 0.000 0.242 48 G C 0.655 175.640 174.900 0.143 0.000 1.033 48 G CA 0.376 45.614 45.100 0.231 0.000 0.620 48 G HN 0.532 nan 8.290 nan 0.000 0.517 49 K N 1.455 121.923 120.400 0.115 0.000 2.511 49 K HA 0.300 4.620 4.320 0.000 0.000 0.280 49 K C 0.663 177.292 176.600 0.047 0.000 1.008 49 K CA 0.911 57.235 56.287 0.061 0.000 1.050 49 K CB 0.048 32.568 32.500 0.034 0.000 0.889 49 K HN 0.236 nan 8.250 nan 0.000 0.484 50 D N 1.511 121.927 120.400 0.028 0.000 2.945 50 D HA -0.209 4.431 4.640 0.000 0.000 0.225 50 D C -0.903 175.408 176.300 0.019 0.000 1.158 50 D CA 1.192 55.201 54.000 0.015 0.000 0.805 50 D CB -0.893 39.912 40.800 0.008 0.000 1.098 50 D HN 0.389 nan 8.370 nan 0.000 0.426 51 L N -0.245 120.989 121.223 0.018 0.000 2.371 51 L HA 0.543 4.883 4.340 0.000 0.000 0.262 51 L C -1.887 174.897 176.870 -0.144 0.000 1.006 51 L CA -1.723 53.111 54.840 -0.011 0.000 0.818 51 L CB 2.187 44.318 42.059 0.120 0.000 1.354 51 L HN -0.257 nan 8.230 nan 0.000 0.415 52 P HA 0.253 nan 4.420 nan 0.000 0.276 52 P C -0.784 176.190 177.300 -0.544 0.000 1.252 52 P CA -0.517 62.372 63.100 -0.352 0.000 0.802 52 P CB 0.708 32.192 31.700 -0.360 0.000 1.035 53 A N 0.631 123.291 122.820 -0.266 0.000 2.511 53 A HA 0.164 4.484 4.320 0.000 0.000 0.242 53 A C 0.170 177.645 177.584 -0.182 0.000 1.069 53 A CA 0.076 52.045 52.037 -0.113 0.000 0.763 53 A CB -0.795 18.286 19.000 0.135 0.000 1.001 53 A HN 0.460 nan 8.150 nan 0.000 0.498 54 F N 0.582 120.673 119.950 0.236 0.000 2.678 54 F HA 0.161 4.688 4.527 0.000 0.000 0.305 54 F C 1.516 177.554 175.800 0.396 0.000 1.090 54 F CA 0.888 59.042 58.000 0.256 0.000 1.272 54 F CB 0.241 39.325 39.000 0.141 0.000 1.060 54 F HN 0.628 nan 8.300 nan 0.000 0.576 55 T N -3.083 111.737 114.554 0.443 0.000 2.916 55 T HA 0.563 4.913 4.350 0.000 0.000 0.292 55 T C -1.537 173.111 174.700 -0.086 0.000 1.055 55 T CA -0.711 61.491 62.100 0.170 0.000 1.009 55 T CB 2.415 71.317 68.868 0.057 0.000 1.118 55 T HN -0.000 nan 8.240 nan 0.000 0.497 56 Y N 0.941 120.892 120.300 -0.581 0.000 2.406 56 Y HA 0.589 5.139 4.550 0.000 0.000 0.340 56 Y C 0.088 175.821 175.900 -0.278 0.000 0.975 56 Y CA -1.042 56.687 58.100 -0.619 0.000 1.056 56 Y CB 1.840 39.535 38.460 -1.276 0.000 1.210 56 Y HN 1.029 nan 8.280 nan 0.000 0.448 57 A N 6.420 128.789 122.820 -0.752 0.000 3.004 57 A HA 0.031 4.351 4.320 0.000 0.000 0.252 57 A C 0.968 178.398 177.584 -0.257 0.000 1.802 57 A CA -0.028 51.751 52.037 -0.430 0.000 1.424 57 A CB -1.465 17.308 19.000 -0.378 0.000 1.005 57 A HN 0.855 nan 8.150 nan 0.000 0.631 58 F N 1.880 121.724 119.950 -0.176 0.000 2.161 58 F HA -0.247 4.281 4.527 0.000 0.000 0.300 58 F C 2.640 178.434 175.800 -0.010 0.000 1.089 58 F CA 1.790 59.836 58.000 0.077 0.000 1.282 58 F CB -0.520 38.579 39.000 0.166 0.000 1.010 58 F HN 0.543 nan 8.300 nan 0.000 0.485 59 S N -0.355 115.304 115.700 -0.068 0.000 2.402 59 S HA -0.247 4.223 4.470 0.000 0.000 0.233 59 S C 1.644 176.139 174.600 -0.175 0.000 1.030 59 S CA 1.450 59.549 58.200 -0.170 0.000 1.003 59 S CB -0.691 62.430 63.200 -0.131 0.000 0.813 59 S HN 0.541 nan 8.310 nan 0.000 0.477 60 K N 1.240 121.558 120.400 -0.138 0.000 2.446 60 K HA 0.211 4.531 4.320 0.000 0.000 0.203 60 K C -0.361 176.188 176.600 -0.084 0.000 1.027 60 K CA -0.042 56.176 56.287 -0.114 0.000 1.166 60 K CB 0.404 32.840 32.500 -0.106 0.000 0.869 60 K HN 0.210 nan 8.250 nan 0.000 0.504 61 T N 4.312 118.816 114.554 -0.084 0.000 2.794 61 T HA 0.145 4.495 4.350 0.000 0.000 0.296 61 T C -2.298 172.367 174.700 -0.059 0.000 0.949 61 T CA -1.433 60.669 62.100 0.003 0.000 1.101 61 T CB 0.788 69.751 68.868 0.159 0.000 0.905 61 T HN 0.081 nan 8.240 nan 0.000 0.516 62 P HA 0.078 nan 4.420 nan 0.000 0.265 62 P C -0.270 177.025 177.300 -0.010 0.000 1.193 62 P CA -0.164 62.924 63.100 -0.021 0.000 0.765 62 P CB 0.529 32.229 31.700 0.000 0.000 0.823 63 L N 2.532 123.744 121.223 -0.019 0.000 2.426 63 L HA 0.187 4.527 4.340 0.000 0.000 0.271 63 L C 0.547 177.443 176.870 0.043 0.000 1.169 63 L CA -0.757 54.101 54.840 0.029 0.000 0.836 63 L CB 0.491 42.570 42.059 0.034 0.000 1.112 63 L HN 0.131 nan 8.230 nan 0.000 0.465 64 V N 4.396 124.360 119.914 0.084 0.000 2.432 64 V HA 0.206 4.327 4.120 0.000 0.000 0.275 64 V C 0.354 176.456 176.094 0.015 0.000 1.043 64 V CA -0.580 61.732 62.300 0.020 0.000 0.925 64 V CB 1.388 33.235 31.823 0.040 0.000 0.985 64 V HN 0.381 nan 8.190 nan 0.000 0.466 65 L N 5.940 127.085 121.223 -0.129 0.000 2.305 65 L HA 0.510 4.850 4.340 0.000 0.000 0.281 65 L C -0.388 176.317 176.870 -0.276 0.000 1.085 65 L CA 0.186 54.976 54.840 -0.083 0.000 0.813 65 L CB 0.540 42.563 42.059 -0.061 0.000 1.157 65 L HN 0.590 nan 8.230 nan 0.000 0.436 66 Y N 0.175 120.534 120.300 0.098 0.000 2.686 66 Y HA 0.208 4.758 4.550 0.000 0.000 0.330 66 Y C 0.390 176.353 175.900 0.105 0.000 1.082 66 Y CA -1.012 57.158 58.100 0.117 0.000 1.158 66 Y CB 0.860 39.436 38.460 0.194 0.000 1.333 66 Y HN 0.477 nan 8.280 nan 0.000 0.519 67 D N 0.554 121.137 120.400 0.305 0.000 2.455 67 D HA 0.299 4.940 4.640 0.000 0.000 0.234 67 D C 0.713 177.118 176.300 0.175 0.000 1.224 67 D CA 1.252 55.367 54.000 0.192 0.000 0.999 67 D CB -0.623 40.280 40.800 0.171 0.000 1.072 67 D HN 0.774 nan 8.370 nan 0.000 0.514 68 G N 2.182 111.074 108.800 0.155 0.000 2.131 68 G HA2 -0.007 3.953 3.960 0.000 0.000 0.223 68 G HA3 -0.007 3.953 3.960 0.000 0.000 0.223 68 G C 0.414 175.407 174.900 0.155 0.000 0.990 68 G CA -0.255 44.926 45.100 0.136 0.000 0.671 68 G HN 0.943 nan 8.290 nan 0.000 0.521 69 G N -1.214 107.707 108.800 0.201 0.000 2.720 69 G HA2 0.935 4.895 3.960 0.000 0.000 0.295 69 G HA3 0.935 4.895 3.960 0.000 0.000 0.295 69 G C -0.527 174.537 174.900 0.274 0.000 1.437 69 G CA 0.729 45.954 45.100 0.209 0.000 0.886 69 G HN 1.568 nan 8.290 nan 0.000 0.509 70 T N -2.120 112.573 114.554 0.232 0.000 2.916 70 T HA 0.863 5.213 4.350 0.000 0.000 0.292 70 T C -0.553 174.322 174.700 0.293 0.000 1.064 70 T CA -0.757 61.508 62.100 0.276 0.000 1.011 70 T CB 2.416 71.424 68.868 0.233 0.000 1.152 70 T HN 1.352 nan 8.240 nan 0.000 0.510 71 T N 0.265 115.020 114.554 0.335 0.000 3.087 71 T HA 0.582 4.932 4.350 0.000 0.000 0.351 71 T C -2.079 172.816 174.700 0.324 0.000 1.520 71 T CA -0.828 61.482 62.100 0.350 0.000 1.111 71 T CB 1.126 70.200 68.868 0.344 0.000 1.353 71 T HN 1.244 nan 8.240 nan 0.000 0.481 72 K N 2.377 123.005 120.400 0.380 0.000 2.522 72 K HA 0.812 5.132 4.320 0.000 0.000 0.275 72 K C -1.617 175.340 176.600 0.596 0.000 1.006 72 K CA -1.081 55.419 56.287 0.355 0.000 0.890 72 K CB 2.015 34.607 32.500 0.154 0.000 1.475 72 K HN 0.761 nan 8.250 nan 0.000 0.441 73 Q N -0.197 120.010 119.800 0.678 0.000 2.426 73 Q HA 0.552 4.892 4.340 0.000 0.000 0.278 73 Q C -1.942 174.325 176.000 0.446 0.000 1.007 73 Q CA -1.181 54.981 55.803 0.599 0.000 0.850 73 Q CB 2.502 31.489 28.738 0.415 0.000 1.427 73 Q HN 0.438 nan 8.270 nan 0.000 0.391 74 V N 1.324 121.288 119.914 0.084 0.000 2.482 74 V HA 0.895 5.015 4.120 0.000 0.000 0.295 74 V C -0.781 175.188 176.094 -0.209 0.000 1.026 74 V CA 0.545 62.723 62.300 -0.203 0.000 0.856 74 V CB 1.026 32.484 31.823 -0.609 0.000 1.001 74 V HN 0.997 nan 8.190 nan 0.000 0.424 75 G N 3.272 111.644 108.800 -0.714 0.000 3.135 75 G HA2 0.425 4.385 3.960 0.000 0.000 0.278 75 G HA3 0.425 4.385 3.960 0.000 0.000 0.278 75 G C 0.825 175.171 174.900 -0.924 0.000 1.302 75 G CA 0.369 44.956 45.100 -0.854 0.000 0.880 75 G HN 1.063 nan 8.290 nan 0.000 0.574 76 T N -1.779 112.375 114.554 -0.667 0.000 2.929 76 T HA -0.189 4.161 4.350 0.000 0.000 0.271 76 T C 2.007 176.508 174.700 -0.332 0.000 1.085 76 T CA 2.215 64.066 62.100 -0.416 0.000 1.125 76 T CB -0.657 68.067 68.868 -0.241 0.000 0.874 76 T HN 0.601 nan 8.240 nan 0.000 0.494 77 Y N 3.481 123.747 120.300 -0.058 0.000 2.274 77 Y HA 0.010 4.560 4.550 0.000 0.000 0.290 77 Y C 2.001 177.887 175.900 -0.023 0.000 1.145 77 Y CA 0.904 58.979 58.100 -0.041 0.000 1.203 77 Y CB -1.023 37.411 38.460 -0.043 0.000 0.984 77 Y HN 0.463 nan 8.280 nan 0.000 0.533 78 N N -1.568 117.048 118.700 -0.141 0.000 2.159 78 N HA 0.045 4.785 4.740 0.000 0.000 0.217 78 N C -0.706 174.760 175.510 -0.073 0.000 1.223 78 N CA -0.277 52.756 53.050 -0.029 0.000 0.896 78 N CB 0.080 38.591 38.487 0.041 0.000 1.064 78 N HN 0.292 nan 8.380 nan 0.000 0.518 79 F N 1.253 120.971 119.950 -0.387 0.000 3.050 79 F HA 0.526 5.053 4.527 0.000 0.000 0.382 79 F C -2.422 173.205 175.800 -0.288 0.000 1.246 79 F CA -2.646 55.155 58.000 -0.332 0.000 1.217 79 F CB 1.601 40.287 39.000 -0.522 0.000 1.795 79 F HN -0.247 nan 8.300 nan 0.000 0.622 80 P HA -0.157 nan 4.420 nan 0.000 0.218 80 P C 1.933 178.973 177.300 -0.433 0.000 1.148 80 P CA 1.117 64.056 63.100 -0.269 0.000 0.822 80 P CB 0.443 32.050 31.700 -0.154 0.000 0.784 81 V N -0.835 118.685 119.914 -0.656 0.000 2.809 81 V HA -0.054 4.066 4.120 0.000 0.000 0.256 81 V C 1.406 176.933 176.094 -0.944 0.000 1.080 81 V CA 1.399 63.313 62.300 -0.643 0.000 1.102 81 V CB -0.971 30.513 31.823 -0.565 0.000 0.705 81 V HN 0.067 nan 8.190 nan 0.000 0.475 82 S N -0.185 114.760 115.700 -1.259 0.000 3.864 82 S HA 0.092 4.562 4.470 0.000 0.000 0.202 82 S C 1.348 175.442 174.600 -0.843 0.000 1.402 82 S CA -0.030 57.249 58.200 -1.535 0.000 1.072 82 S CB -0.507 62.203 63.200 -0.817 0.000 1.383 82 S HN 0.579 nan 8.310 nan 0.000 0.458 83 K N 0.824 120.846 120.400 -0.630 0.000 2.057 83 K HA 0.007 4.327 4.320 0.000 0.000 0.206 83 K C 2.113 178.662 176.600 -0.085 0.000 1.050 83 K CA 1.235 57.381 56.287 -0.236 0.000 0.935 83 K CB -0.196 32.231 32.500 -0.122 0.000 0.715 83 K HN 0.511 nan 8.250 nan 0.000 0.439 84 G N -0.470 108.357 108.800 0.045 0.000 2.777 84 G HA2 0.111 4.071 3.960 0.000 0.000 0.211 84 G HA3 0.111 4.071 3.960 0.000 0.000 0.211 84 G C 0.272 175.224 174.900 0.086 0.000 1.149 84 G CA 0.002 45.163 45.100 0.102 0.000 0.785 84 G HN 0.069 nan 8.290 nan 0.000 0.536 85 M N -0.127 119.529 119.600 0.094 0.000 2.365 85 M HA 0.556 5.036 4.480 0.000 0.000 0.287 85 M C -1.282 175.000 176.300 -0.030 0.000 1.154 85 M CA -0.502 54.809 55.300 0.019 0.000 0.941 85 M CB 2.778 35.381 32.600 0.004 0.000 1.704 85 M HN 0.011 nan 8.290 nan 0.000 0.479 86 A N 1.461 124.254 122.820 -0.044 0.000 2.356 86 A HA 0.999 5.319 4.320 0.000 0.000 0.323 86 A C -0.296 177.220 177.584 -0.112 0.000 1.119 86 A CA -0.586 51.453 52.037 0.003 0.000 0.790 86 A CB 1.521 20.613 19.000 0.155 0.000 1.273 86 A HN 0.895 nan 8.150 nan 0.000 0.452 87 G N -0.544 108.223 108.800 -0.054 0.000 2.495 87 G HA2 0.574 4.534 3.960 0.000 0.000 0.318 87 G HA3 0.574 4.534 3.960 0.000 0.000 0.318 87 G C -1.443 173.607 174.900 0.250 0.000 1.257 87 G CA -0.433 44.588 45.100 -0.131 0.000 0.962 87 G HN 0.867 nan 8.290 nan 0.000 0.483 88 V N 1.777 121.901 119.914 0.351 0.000 2.531 88 V HA 0.340 4.460 4.120 0.000 0.000 0.301 88 V C -1.134 175.238 176.094 0.464 0.000 1.034 88 V CA -0.885 61.717 62.300 0.503 0.000 0.865 88 V CB 1.582 33.755 31.823 0.583 0.000 0.995 88 V HN 0.759 nan 8.190 nan 0.000 0.424 89 Y N 5.923 126.506 120.300 0.472 0.000 2.313 89 Y HA 0.738 5.288 4.550 0.000 0.000 0.332 89 Y C -0.167 175.779 175.900 0.077 0.000 1.071 89 Y CA -0.276 57.975 58.100 0.251 0.000 1.169 89 Y CB 1.271 39.882 38.460 0.252 0.000 1.192 89 Y HN 0.713 nan 8.280 nan 0.000 0.487 90 M N 5.790 124.805 119.600 -0.975 0.000 2.484 90 M HA 0.490 4.970 4.480 0.000 0.000 0.289 90 M C -1.555 173.988 176.300 -1.262 0.000 1.206 90 M CA -0.486 54.298 55.300 -0.861 0.000 0.892 90 M CB 1.923 34.209 32.600 -0.524 0.000 1.712 90 M HN 0.721 nan 8.290 nan 0.000 0.462 91 S N 4.811 120.173 115.700 -0.563 0.000 2.526 91 S HA 0.848 5.318 4.470 0.000 0.000 0.293 91 S C -1.477 173.114 174.600 -0.014 0.000 1.092 91 S CA -0.771 57.253 58.200 -0.292 0.000 0.980 91 S CB 1.567 64.742 63.200 -0.041 0.000 1.048 91 S HN 0.768 nan 8.310 nan 0.000 0.483 92 L N 2.454 123.746 121.223 0.115 0.000 2.410 92 L HA 0.583 4.923 4.340 0.000 0.000 0.270 92 L C -0.019 176.937 176.870 0.143 0.000 0.983 92 L CA -0.899 54.044 54.840 0.170 0.000 0.822 92 L CB 1.949 44.156 42.059 0.247 0.000 1.285 92 L HN 0.647 nan 8.230 nan 0.000 0.409 93 E N 2.274 122.546 120.200 0.120 0.000 2.391 93 E HA 0.244 4.594 4.350 0.000 0.000 0.255 93 E C -2.314 174.341 176.600 0.090 0.000 1.187 93 E CA -1.860 54.599 56.400 0.099 0.000 0.941 93 E CB 0.210 29.964 29.700 0.089 0.000 1.010 93 E HN 0.243 nan 8.360 nan 0.000 0.458 94 P HA 0.002 nan 4.420 nan 0.000 0.261 94 P C 0.581 177.916 177.300 0.058 0.000 1.183 94 P CA 1.276 64.412 63.100 0.060 0.000 0.761 94 P CB 0.237 31.966 31.700 0.048 0.000 0.785 95 G N 2.431 111.265 108.800 0.056 0.000 2.212 95 G HA2 -0.250 3.710 3.960 0.000 0.000 0.266 95 G HA3 -0.250 3.710 3.960 0.000 0.000 0.266 95 G C 0.436 175.376 174.900 0.068 0.000 0.978 95 G CA 0.053 45.185 45.100 0.053 0.000 0.632 95 G HN 0.855 nan 8.290 nan 0.000 0.537 96 A N 0.057 122.925 122.820 0.081 0.000 2.409 96 A HA 0.710 5.030 4.320 0.000 0.000 0.267 96 A C 0.175 177.811 177.584 0.087 0.000 1.127 96 A CA 0.176 52.269 52.037 0.094 0.000 0.795 96 A CB 0.502 19.569 19.000 0.111 0.000 1.061 96 A HN 1.181 nan 8.150 nan 0.000 0.502 97 I N 1.924 122.538 120.570 0.073 0.000 2.441 97 I HA 0.519 4.689 4.170 0.000 0.000 0.295 97 I C 0.165 176.298 176.117 0.027 0.000 0.994 97 I CA -1.102 60.230 61.300 0.052 0.000 1.144 97 I CB 1.405 39.429 38.000 0.040 0.000 1.314 97 I HN 0.749 nan 8.210 nan 0.000 0.445 98 R N 6.796 127.312 120.500 0.027 0.000 2.242 98 R HA 0.167 4.507 4.340 0.000 0.000 0.334 98 R C -0.356 175.944 176.300 -0.001 0.000 1.071 98 R CA -0.311 55.765 56.100 -0.041 0.000 0.922 98 R CB 0.325 30.668 30.300 0.071 0.000 1.023 98 R HN 0.669 nan 8.270 nan 0.000 0.458 99 E N 3.788 123.957 120.200 -0.052 0.000 2.438 99 E HA -0.051 4.299 4.350 0.000 0.000 0.261 99 E C -0.553 176.099 176.600 0.087 0.000 1.103 99 E CA -0.448 55.962 56.400 0.017 0.000 0.959 99 E CB 0.485 30.191 29.700 0.009 0.000 0.958 99 E HN 0.512 nan 8.360 nan 0.000 0.447 100 L N 3.749 124.996 121.223 0.040 0.000 2.700 100 L HA -0.025 4.315 4.340 0.000 0.000 0.272 100 L C 0.595 177.516 176.870 0.086 0.000 1.176 100 L CA 0.577 55.416 54.840 -0.001 0.000 0.961 100 L CB -0.910 41.160 42.059 0.018 0.000 1.249 100 L HN 0.629 nan 8.230 nan 0.000 0.487 101 H N 2.319 121.309 119.070 -0.134 0.000 2.959 101 H HA 0.607 5.164 4.556 0.000 0.000 0.296 101 H C -1.369 173.851 175.328 -0.179 0.000 1.421 101 H CA -1.082 54.916 56.048 -0.083 0.000 1.206 101 H CB 1.496 31.184 29.762 -0.124 0.000 1.891 101 H HN 0.561 nan 8.280 nan 0.000 0.573 102 W N 0.110 121.300 121.300 -0.183 0.000 3.146 102 W HA 0.557 5.217 4.660 0.000 0.000 0.319 102 W C -2.261 174.260 176.519 0.004 0.000 1.258 102 W CA -1.033 56.130 57.345 -0.304 0.000 1.189 102 W CB 0.723 30.062 29.460 -0.201 0.000 1.412 102 W HN 0.914 nan 8.180 nan 0.000 0.567 103 H N 0.540 119.877 119.070 0.445 0.000 3.277 103 H HA 0.663 5.219 4.556 0.000 0.000 0.329 103 H C 0.152 175.674 175.328 0.323 0.000 1.034 103 H CA -0.602 55.651 56.048 0.342 0.000 1.530 103 H CB 0.844 30.910 29.762 0.507 0.000 1.837 103 H HN 0.766 nan 8.280 nan 0.000 0.493 104 A N 2.818 125.836 122.820 0.329 0.000 2.014 104 A HA -0.188 4.132 4.320 0.000 0.000 0.218 104 A C 1.971 179.695 177.584 0.234 0.000 1.163 104 A CA 1.148 53.338 52.037 0.255 0.000 0.652 104 A CB -0.389 18.703 19.000 0.154 0.000 0.808 104 A HN 0.880 nan 8.150 nan 0.000 0.449 105 N N 0.234 119.088 118.700 0.257 0.000 2.550 105 N HA 0.159 4.899 4.740 0.000 0.000 0.186 105 N C 0.266 175.903 175.510 0.211 0.000 1.110 105 N CA 1.123 54.305 53.050 0.219 0.000 0.912 105 N CB -0.094 38.528 38.487 0.226 0.000 0.968 105 N HN 0.452 nan 8.380 nan 0.000 0.448 106 A N -0.534 122.431 122.820 0.242 0.000 2.589 106 A HA 0.715 5.035 4.320 0.000 0.000 0.296 106 A C -1.218 176.473 177.584 0.179 0.000 1.062 106 A CA -0.446 51.685 52.037 0.158 0.000 0.686 106 A CB 1.087 20.112 19.000 0.042 0.000 1.282 106 A HN 0.340 nan 8.150 nan 0.000 0.404 107 A N 0.397 123.251 122.820 0.057 0.000 2.279 107 A HA 0.744 5.064 4.320 0.000 0.000 0.303 107 A C -0.082 177.404 177.584 -0.162 0.000 1.108 107 A CA -0.204 51.777 52.037 -0.093 0.000 0.830 107 A CB 0.676 19.565 19.000 -0.184 0.000 1.106 107 A HN 0.880 nan 8.150 nan 0.000 0.493 108 E N 0.729 120.729 120.200 -0.332 0.000 2.182 108 E HA 0.371 4.722 4.350 0.000 0.000 0.258 108 E C -1.833 174.498 176.600 -0.448 0.000 0.879 108 E CA -0.300 55.821 56.400 -0.465 0.000 0.754 108 E CB 0.863 30.504 29.700 -0.098 0.000 1.162 108 E HN 0.630 nan 8.360 nan 0.000 0.419 109 W N 4.618 125.564 121.300 -0.590 0.000 2.475 109 W HA 0.661 5.321 4.660 0.000 0.000 0.317 109 W C -1.305 174.847 176.519 -0.611 0.000 1.046 109 W CA -0.421 56.678 57.345 -0.410 0.000 1.215 109 W CB 1.401 30.735 29.460 -0.211 0.000 1.335 109 W HN 0.564 nan 8.180 nan 0.000 0.471 110 A N 5.456 127.527 122.820 -1.249 0.000 2.386 110 A HA 0.617 4.937 4.320 0.000 0.000 0.311 110 A C -2.441 174.355 177.584 -1.313 0.000 1.068 110 A CA -0.579 50.646 52.037 -1.355 0.000 0.743 110 A CB 1.115 18.657 19.000 -2.432 0.000 1.258 110 A HN 0.693 nan 8.150 nan 0.000 0.429 111 Y N 2.102 121.891 120.300 -0.851 0.000 2.364 111 Y HA 0.539 5.089 4.550 0.000 0.000 0.340 111 Y C -0.798 174.898 175.900 -0.340 0.000 0.975 111 Y CA -0.770 56.980 58.100 -0.582 0.000 1.089 111 Y CB 1.832 40.153 38.460 -0.232 0.000 1.192 111 Y HN 0.449 nan 8.280 nan 0.000 0.454 112 V N 8.792 128.172 119.914 -0.890 0.000 2.368 112 V HA 0.057 4.177 4.120 0.000 0.000 0.266 112 V C 0.841 176.618 176.094 -0.527 0.000 1.045 112 V CA 0.164 62.164 62.300 -0.501 0.000 0.899 112 V CB 0.790 32.415 31.823 -0.331 0.000 1.006 112 V HN 1.057 nan 8.190 nan 0.000 0.470 113 M N 2.441 121.956 119.600 -0.141 0.000 2.193 113 M HA 0.116 4.596 4.480 0.000 0.000 0.265 113 M C 0.607 176.937 176.300 0.049 0.000 1.071 113 M CA 1.431 56.757 55.300 0.044 0.000 1.140 113 M CB 0.219 32.928 32.600 0.182 0.000 1.369 113 M HN 0.553 nan 8.290 nan 0.000 0.423 114 E N -1.098 119.134 120.200 0.054 0.000 2.331 114 E HA 0.544 4.894 4.350 0.000 0.000 0.275 114 E C -0.234 176.404 176.600 0.064 0.000 0.895 114 E CA 0.466 56.905 56.400 0.065 0.000 0.753 114 E CB 1.855 31.613 29.700 0.096 0.000 1.216 114 E HN 0.340 nan 8.360 nan 0.000 0.434 115 G N 2.453 111.282 108.800 0.049 0.000 2.512 115 G HA2 -0.220 3.740 3.960 0.000 0.000 0.240 115 G HA3 -0.220 3.740 3.960 0.000 0.000 0.240 115 G C -0.796 174.127 174.900 0.039 0.000 1.246 115 G CA -0.110 45.022 45.100 0.053 0.000 0.919 115 G HN 0.561 nan 8.290 nan 0.000 0.577 116 R N -0.106 120.426 120.500 0.053 0.000 2.584 116 R HA 0.681 5.021 4.340 0.000 0.000 0.276 116 R C -0.143 176.185 176.300 0.046 0.000 1.046 116 R CA -0.027 56.094 56.100 0.034 0.000 0.906 116 R CB 2.274 32.588 30.300 0.023 0.000 1.215 116 R HN 1.089 nan 8.270 nan 0.000 0.449 117 T N -1.150 113.418 114.554 0.023 0.000 2.887 117 T HA 0.619 4.969 4.350 0.000 0.000 0.292 117 T C -0.733 173.940 174.700 -0.045 0.000 1.087 117 T CA -1.056 61.037 62.100 -0.011 0.000 1.009 117 T CB 2.160 70.988 68.868 -0.067 0.000 1.203 117 T HN 0.513 nan 8.240 nan 0.000 0.518 118 R N 0.637 121.088 120.500 -0.083 0.000 2.621 118 R HA 0.691 5.031 4.340 0.000 0.000 0.292 118 R C -1.114 175.076 176.300 -0.182 0.000 0.969 118 R CA -1.015 55.026 56.100 -0.099 0.000 0.887 118 R CB 1.022 31.288 30.300 -0.056 0.000 1.180 118 R HN 0.806 nan 8.270 nan 0.000 0.450 119 I N -0.069 120.378 120.570 -0.204 0.000 2.797 119 I HA 0.669 4.839 4.170 0.000 0.000 0.307 119 I C -0.490 175.526 176.117 -0.168 0.000 1.033 119 I CA -0.573 60.565 61.300 -0.270 0.000 1.071 119 I CB 2.357 40.138 38.000 -0.365 0.000 1.255 119 I HN 0.662 nan 8.210 nan 0.000 0.445 120 T N 2.557 116.985 114.554 -0.211 0.000 2.893 120 T HA 0.775 5.125 4.350 0.000 0.000 0.293 120 T C -1.178 173.353 174.700 -0.283 0.000 1.027 120 T CA -0.641 61.353 62.100 -0.176 0.000 0.988 120 T CB 1.589 70.377 68.868 -0.133 0.000 1.043 120 T HN 0.856 nan 8.240 nan 0.000 0.461 121 L N 2.215 123.316 121.223 -0.203 0.000 2.482 121 L HA 0.675 5.015 4.340 0.000 0.000 0.269 121 L C -0.796 176.002 176.870 -0.119 0.000 0.967 121 L CA -0.078 54.629 54.840 -0.221 0.000 0.851 121 L CB 2.181 44.168 42.059 -0.120 0.000 1.242 121 L HN 0.966 nan 8.230 nan 0.000 0.404 122 T N 2.913 117.382 114.554 -0.142 0.000 2.779 122 T HA 0.601 4.951 4.350 0.000 0.000 0.280 122 T C -0.060 174.407 174.700 -0.389 0.000 0.987 122 T CA -0.359 61.614 62.100 -0.212 0.000 0.966 122 T CB 1.272 70.022 68.868 -0.197 0.000 0.933 122 T HN 0.746 nan 8.240 nan 0.000 0.442 123 S N 3.077 118.401 115.700 -0.627 0.000 2.672 123 S HA 0.434 4.904 4.470 0.000 0.000 0.276 123 S C -2.024 172.058 174.600 -0.864 0.000 1.207 123 S CA -1.509 55.898 58.200 -1.322 0.000 1.002 123 S CB 0.914 63.237 63.200 -1.463 0.000 0.998 123 S HN 0.292 nan 8.310 nan 0.000 0.542 124 P HA 0.015 nan 4.420 nan 0.000 0.234 124 P C -0.211 176.895 177.300 -0.324 0.000 1.162 124 P CA 0.954 63.775 63.100 -0.466 0.000 0.759 124 P CB -0.175 31.324 31.700 -0.335 0.000 0.813 125 E N -1.077 118.915 120.200 -0.347 0.000 2.939 125 E HA 0.328 4.678 4.350 0.000 0.000 0.215 125 E C 0.793 177.271 176.600 -0.204 0.000 1.025 125 E CA -0.265 56.002 56.400 -0.222 0.000 1.259 125 E CB -0.241 29.355 29.700 -0.173 0.000 1.228 125 E HN -0.001 nan 8.360 nan 0.000 0.443 126 G N 2.128 110.793 108.800 -0.225 0.000 2.296 126 G HA2 -0.363 3.597 3.960 0.000 0.000 0.282 126 G HA3 -0.363 3.597 3.960 0.000 0.000 0.282 126 G C 0.057 174.858 174.900 -0.163 0.000 1.014 126 G CA 0.776 45.767 45.100 -0.180 0.000 0.812 126 G HN 0.215 nan 8.290 nan 0.000 0.508 127 K N -1.052 119.226 120.400 -0.204 0.000 2.123 127 K HA 0.731 5.051 4.320 0.000 0.000 0.259 127 K C -0.424 176.085 176.600 -0.152 0.000 0.960 127 K CA -0.815 55.381 56.287 -0.152 0.000 0.872 127 K CB 2.710 35.132 32.500 -0.131 0.000 1.079 127 K HN 0.110 nan 8.250 nan 0.000 0.440 128 V N 1.611 121.472 119.914 -0.088 0.000 2.789 128 V HA 0.309 4.429 4.120 0.000 0.000 0.311 128 V C -1.458 174.625 176.094 -0.018 0.000 1.073 128 V CA -0.561 61.696 62.300 -0.070 0.000 0.921 128 V CB 1.984 33.764 31.823 -0.073 0.000 1.009 128 V HN 0.862 nan 8.190 nan 0.000 0.426 129 E N 5.094 125.294 120.200 0.000 0.000 2.187 129 E HA 0.609 4.959 4.350 0.000 0.000 0.268 129 E C -1.508 175.099 176.600 0.010 0.000 0.896 129 E CA -0.635 55.790 56.400 0.042 0.000 0.766 129 E CB 1.726 31.497 29.700 0.118 0.000 1.142 129 E HN 0.671 nan 8.360 nan 0.000 0.408 130 I N 3.694 124.270 120.570 0.010 0.000 2.439 130 I HA 0.616 4.786 4.170 0.000 0.000 0.283 130 I C -0.592 175.528 176.117 0.006 0.000 1.023 130 I CA -0.530 60.764 61.300 -0.009 0.000 1.100 130 I CB 1.618 39.607 38.000 -0.019 0.000 1.238 130 I HN 0.562 nan 8.210 nan 0.000 0.445 131 A N 4.312 127.132 122.820 0.001 0.000 2.587 131 A HA 0.687 5.007 4.320 0.000 0.000 0.293 131 A C -1.598 175.981 177.584 -0.008 0.000 1.087 131 A CA -0.691 51.353 52.037 0.013 0.000 0.692 131 A CB 1.652 20.682 19.000 0.049 0.000 1.291 131 A HN 0.527 nan 8.150 nan 0.000 0.407 132 D N 0.241 120.639 120.400 -0.003 0.000 2.255 132 D HA 0.519 5.159 4.640 0.000 0.000 0.249 132 D C -0.709 175.592 176.300 0.002 0.000 1.078 132 D CA 0.343 54.337 54.000 -0.010 0.000 0.896 132 D CB 1.632 42.427 40.800 -0.008 0.000 1.194 132 D HN 0.202 nan 8.370 nan 0.000 0.429 133 V N 3.539 123.458 119.914 0.009 0.000 2.482 133 V HA 0.287 4.407 4.120 0.000 0.000 0.295 133 V C -0.358 175.732 176.094 -0.006 0.000 1.026 133 V CA -0.837 61.479 62.300 0.027 0.000 0.856 133 V CB 1.768 33.689 31.823 0.163 0.000 1.001 133 V HN 0.428 nan 8.190 nan 0.000 0.424 134 D N 2.338 122.710 120.400 -0.047 0.000 2.569 134 D HA 0.294 4.934 4.640 0.000 0.000 0.266 134 D C 0.088 176.320 176.300 -0.114 0.000 1.164 134 D CA -0.803 53.164 54.000 -0.055 0.000 1.071 134 D CB 0.960 41.736 40.800 -0.040 0.000 1.183 134 D HN 0.409 nan 8.370 nan 0.000 0.613 135 K N 0.046 120.388 120.400 -0.096 0.000 2.491 135 K HA 0.154 4.474 4.320 0.000 0.000 0.279 135 K C 0.728 177.213 176.600 -0.192 0.000 1.026 135 K CA 0.979 57.180 56.287 -0.143 0.000 1.070 135 K CB -0.238 32.228 32.500 -0.057 0.000 0.887 135 K HN 0.637 nan 8.250 nan 0.000 0.481 136 G N 2.407 110.965 108.800 -0.403 0.000 2.157 136 G HA2 -0.212 3.748 3.960 0.000 0.000 0.248 136 G HA3 -0.212 3.748 3.960 0.000 0.000 0.248 136 G C 0.233 174.985 174.900 -0.247 0.000 0.979 136 G CA -0.106 44.826 45.100 -0.281 0.000 0.650 136 G HN 0.953 nan 8.290 nan 0.000 0.529 137 G N -0.600 107.979 108.800 -0.369 0.000 2.434 137 G HA2 0.752 4.712 3.960 0.000 0.000 0.330 137 G HA3 0.752 4.712 3.960 0.000 0.000 0.330 137 G C -0.148 174.514 174.900 -0.397 0.000 1.155 137 G CA -0.906 44.027 45.100 -0.279 0.000 0.917 137 G HN 0.633 nan 8.290 nan 0.000 0.493 138 L N -0.399 120.598 121.223 -0.377 0.000 2.322 138 L HA 0.748 5.088 4.340 0.000 0.000 0.269 138 L C -0.587 176.064 176.870 -0.365 0.000 1.012 138 L CA -1.035 53.444 54.840 -0.601 0.000 0.815 138 L CB 2.066 43.730 42.059 -0.658 0.000 1.295 138 L HN 0.813 nan 8.230 nan 0.000 0.438 139 W N 0.677 121.690 121.300 -0.478 0.000 2.975 139 W HA 0.668 5.328 4.660 0.000 0.000 0.342 139 W C -1.857 174.467 176.519 -0.325 0.000 1.168 139 W CA -1.435 55.719 57.345 -0.318 0.000 1.141 139 W CB 0.609 29.794 29.460 -0.458 0.000 1.445 139 W HN 0.335 nan 8.180 nan 0.000 0.560 140 Y N 2.846 123.199 120.300 0.089 0.000 2.331 140 Y HA 0.589 5.139 4.550 0.000 0.000 0.326 140 Y C -1.901 174.085 175.900 0.143 0.000 1.020 140 Y CA -1.822 56.269 58.100 -0.015 0.000 1.136 140 Y CB 0.892 39.333 38.460 -0.032 0.000 1.157 140 Y HN 0.336 nan 8.280 nan 0.000 0.444 141 F N 7.711 127.410 119.950 -0.418 0.000 2.361 141 F HA 0.490 5.017 4.527 0.000 0.000 0.364 141 F C -2.331 173.001 175.800 -0.780 0.000 1.117 141 F CA -3.659 54.053 58.000 -0.480 0.000 1.071 141 F CB 0.925 39.606 39.000 -0.531 0.000 1.188 141 F HN 0.381 nan 8.300 nan 0.000 0.464 142 P HA 0.075 nan 4.420 nan 0.000 0.268 142 P C -0.184 176.899 177.300 -0.361 0.000 1.204 142 P CA -0.297 62.392 63.100 -0.685 0.000 0.768 142 P CB 0.425 31.369 31.700 -1.259 0.000 0.842 143 R N 2.736 123.186 120.500 -0.083 0.000 2.669 143 R HA -0.006 4.334 4.340 0.000 0.000 0.283 143 R C 1.447 177.892 176.300 0.241 0.000 0.851 143 R CA 1.218 57.398 56.100 0.133 0.000 1.126 143 R CB -1.375 29.023 30.300 0.163 0.000 0.883 143 R HN 0.943 nan 8.270 nan 0.000 0.418 144 G N 2.072 111.060 108.800 0.313 0.000 2.184 144 G HA2 -0.255 3.705 3.960 0.000 0.000 0.264 144 G HA3 -0.255 3.705 3.960 0.000 0.000 0.264 144 G C -0.372 174.731 174.900 0.337 0.000 0.975 144 G CA 0.043 45.347 45.100 0.340 0.000 0.642 144 G HN 0.597 nan 8.290 nan 0.000 0.536 145 W N 1.102 122.421 121.300 0.031 0.000 2.190 145 W HA 0.596 5.256 4.660 0.000 0.000 0.330 145 W C 0.973 177.483 176.519 -0.014 0.000 1.299 145 W CA -0.354 56.964 57.345 -0.045 0.000 1.215 145 W CB 0.346 29.768 29.460 -0.062 0.000 1.147 145 W HN 0.478 nan 8.180 nan 0.000 0.563 146 G N 3.280 112.116 108.800 0.059 0.000 2.395 146 G HA2 0.547 4.508 3.960 0.000 0.000 0.283 146 G HA3 0.547 4.508 3.960 0.000 0.000 0.283 146 G C -0.619 174.184 174.900 -0.162 0.000 1.178 146 G CA -0.330 44.728 45.100 -0.071 0.000 0.837 146 G HN 0.648 nan 8.290 nan 0.000 0.518 147 H N -1.130 117.685 119.070 -0.425 0.000 2.960 147 H HA 0.788 5.344 4.556 0.000 0.000 0.323 147 H C -0.820 174.217 175.328 -0.484 0.000 1.326 147 H CA -0.600 55.060 56.048 -0.646 0.000 1.124 147 H CB 1.494 30.489 29.762 -1.279 0.000 1.853 147 H HN 0.846 nan 8.280 nan 0.000 0.536 148 S N 0.310 115.833 115.700 -0.294 0.000 2.565 148 S HA 0.662 5.132 4.470 0.000 0.000 0.269 148 S C -1.371 173.143 174.600 -0.144 0.000 1.153 148 S CA -0.931 57.175 58.200 -0.156 0.000 0.835 148 S CB 1.538 64.672 63.200 -0.110 0.000 1.122 148 S HN 0.599 nan 8.310 nan 0.000 0.462 149 I N 1.179 121.709 120.570 -0.065 0.000 2.478 149 I HA 0.512 4.683 4.170 0.000 0.000 0.287 149 I C -0.465 175.626 176.117 -0.043 0.000 1.042 149 I CA -0.361 60.853 61.300 -0.143 0.000 1.067 149 I CB 1.991 39.898 38.000 -0.155 0.000 1.233 149 I HN 0.822 nan 8.210 nan 0.000 0.431 150 E N 4.214 124.378 120.200 -0.060 0.000 2.183 150 E HA 0.581 4.931 4.350 0.000 0.000 0.271 150 E C -0.138 176.478 176.600 0.027 0.000 0.919 150 E CA -0.777 55.626 56.400 0.005 0.000 0.781 150 E CB 1.851 31.551 29.700 -0.001 0.000 1.140 150 E HN 0.774 nan 8.360 nan 0.000 0.402 151 G N 5.091 113.943 108.800 0.087 0.000 2.358 151 G HA2 0.378 4.338 3.960 0.000 0.000 0.273 151 G HA3 0.378 4.338 3.960 0.000 0.000 0.273 151 G C 0.238 175.176 174.900 0.063 0.000 1.215 151 G CA -0.364 44.797 45.100 0.101 0.000 0.910 151 G HN 0.584 nan 8.290 nan 0.000 0.467 152 I N 0.629 121.228 120.570 0.048 0.000 3.062 152 I HA 0.841 5.011 4.170 0.000 0.000 0.316 152 I C 1.016 177.157 176.117 0.040 0.000 1.041 152 I CA -1.217 60.104 61.300 0.035 0.000 1.069 152 I CB 1.078 39.090 38.000 0.019 0.000 1.300 152 I HN 0.515 nan 8.210 nan 0.000 0.518 153 G N 1.059 109.878 108.800 0.032 0.000 2.680 153 G HA2 0.276 4.236 3.960 0.000 0.000 0.274 153 G HA3 0.276 4.236 3.960 0.000 0.000 0.274 153 G C -1.999 172.922 174.900 0.035 0.000 1.292 153 G CA -0.549 44.572 45.100 0.034 0.000 1.007 153 G HN 0.673 nan 8.290 nan 0.000 0.578 154 P HA 0.190 nan 4.420 nan 0.000 0.252 154 P C 0.092 177.417 177.300 0.041 0.000 1.211 154 P CA 0.442 63.563 63.100 0.034 0.000 0.824 154 P CB 0.922 32.639 31.700 0.028 0.000 1.077 155 D N -0.845 119.584 120.400 0.048 0.000 2.489 155 D HA 0.194 4.835 4.640 0.000 0.000 0.232 155 D C -0.133 176.208 176.300 0.069 0.000 1.230 155 D CA 0.002 54.035 54.000 0.055 0.000 1.101 155 D CB -0.005 40.827 40.800 0.052 0.000 1.198 155 D HN -0.245 nan 8.370 nan 0.000 0.611 156 T N 0.828 115.428 114.554 0.077 0.000 2.771 156 T HA 0.518 4.868 4.350 0.000 0.000 0.291 156 T C 0.018 174.781 174.700 0.106 0.000 0.954 156 T CA -0.535 61.620 62.100 0.092 0.000 1.045 156 T CB 1.059 69.984 68.868 0.094 0.000 0.917 156 T HN 0.363 nan 8.240 nan 0.000 0.484 157 A N 4.407 127.307 122.820 0.134 0.000 2.440 157 A HA 0.494 4.814 4.320 0.000 0.000 0.251 157 A C 0.207 177.891 177.584 0.166 0.000 1.089 157 A CA -0.304 51.846 52.037 0.188 0.000 0.779 157 A CB 0.237 19.398 19.000 0.269 0.000 1.022 157 A HN 0.794 nan 8.150 nan 0.000 0.492 158 K N 1.770 122.262 120.400 0.154 0.000 2.541 158 K HA 0.582 4.902 4.320 0.000 0.000 0.250 158 K C -1.491 175.127 176.600 0.029 0.000 0.950 158 K CA -0.167 56.098 56.287 -0.038 0.000 0.805 158 K CB 1.842 34.382 32.500 0.065 0.000 1.166 158 K HN 0.693 nan 8.250 nan 0.000 0.430 159 F N -0.061 119.767 119.950 -0.202 0.000 2.645 159 F HA 0.596 5.123 4.527 0.000 0.000 0.310 159 F C -1.281 174.395 175.800 -0.208 0.000 1.102 159 F CA -1.483 56.399 58.000 -0.198 0.000 0.952 159 F CB 1.025 39.910 39.000 -0.192 0.000 1.326 159 F HN 0.135 nan 8.300 nan 0.000 0.456 160 L N 2.835 124.073 121.223 0.026 0.000 2.309 160 L HA 0.609 4.949 4.340 0.000 0.000 0.282 160 L C -0.912 175.940 176.870 -0.030 0.000 1.036 160 L CA -0.859 53.985 54.840 0.006 0.000 0.806 160 L CB 1.825 43.894 42.059 0.016 0.000 1.220 160 L HN 0.587 nan 8.230 nan 0.000 0.429 161 L N 4.108 125.324 121.223 -0.012 0.000 2.325 161 L HA 0.563 4.903 4.340 0.000 0.000 0.281 161 L C -0.724 175.880 176.870 -0.443 0.000 1.004 161 L CA -0.705 54.004 54.840 -0.218 0.000 0.823 161 L CB 2.049 44.140 42.059 0.054 0.000 1.236 161 L HN 0.267 nan 8.230 nan 0.000 0.415 162 V N 3.308 122.852 119.914 -0.617 0.000 2.459 162 V HA 0.486 4.606 4.120 0.000 0.000 0.295 162 V C -0.527 175.104 176.094 -0.772 0.000 1.029 162 V CA -0.436 61.453 62.300 -0.686 0.000 0.874 162 V CB 1.678 33.129 31.823 -0.619 0.000 0.985 162 V HN 0.367 nan 8.190 nan 0.000 0.438 163 F N 2.937 122.675 119.950 -0.354 0.000 2.495 163 F HA 0.415 4.942 4.527 0.000 0.000 0.327 163 F C 0.810 176.476 175.800 -0.223 0.000 1.103 163 F CA -0.988 56.808 58.000 -0.340 0.000 0.949 163 F CB 1.573 40.236 39.000 -0.561 0.000 1.142 163 F HN 0.611 nan 8.300 nan 0.000 0.457 164 N N 1.211 119.904 118.700 -0.012 0.000 2.878 164 N HA 0.064 4.804 4.740 0.000 0.000 0.282 164 N C -1.218 174.318 175.510 0.043 0.000 1.284 164 N CA 0.072 53.118 53.050 -0.005 0.000 1.053 164 N CB -0.167 38.305 38.487 -0.025 0.000 1.382 164 N HN 0.523 nan 8.380 nan 0.000 0.529 165 D N -1.157 119.287 120.400 0.072 0.000 2.548 165 D HA 0.223 4.863 4.640 0.000 0.000 0.214 165 D C 0.643 177.003 176.300 0.100 0.000 1.345 165 D CA -0.562 53.493 54.000 0.091 0.000 0.945 165 D CB 0.916 41.794 40.800 0.131 0.000 1.499 165 D HN 0.167 nan 8.370 nan 0.000 0.579 166 G N 1.793 110.615 108.800 0.036 0.000 2.708 166 G HA2 -0.113 3.847 3.960 0.000 0.000 0.210 166 G HA3 -0.113 3.847 3.960 0.000 0.000 0.210 166 G C 1.095 175.989 174.900 -0.010 0.000 1.141 166 G CA 1.310 46.394 45.100 -0.026 0.000 0.788 166 G HN 0.519 nan 8.290 nan 0.000 0.531 167 T N -2.954 111.650 114.554 0.084 0.000 3.054 167 T HA 0.293 4.643 4.350 0.000 0.000 0.255 167 T C 0.644 175.471 174.700 0.211 0.000 1.035 167 T CA -0.801 61.390 62.100 0.153 0.000 0.941 167 T CB -0.197 68.730 68.868 0.098 0.000 1.026 167 T HN 0.034 nan 8.240 nan 0.000 0.533 168 F N 3.514 123.483 119.950 0.032 0.000 2.602 168 F HA 0.434 4.961 4.527 0.000 0.000 0.367 168 F C 0.318 176.079 175.800 -0.065 0.000 1.126 168 F CA 0.038 57.978 58.000 -0.101 0.000 1.321 168 F CB 0.581 39.407 39.000 -0.291 0.000 1.094 168 F HN 0.190 nan 8.300 nan 0.000 0.594 169 S N 4.097 119.122 115.700 -1.125 0.000 2.575 169 S HA 0.248 4.718 4.470 0.000 0.000 0.278 169 S C 0.345 174.279 174.600 -1.110 0.000 1.139 169 S CA -0.678 57.018 58.200 -0.839 0.000 0.954 169 S CB 1.562 64.389 63.200 -0.621 0.000 1.054 169 S HN 0.798 nan 8.310 nan 0.000 0.483 170 E N 3.544 123.382 120.200 -0.603 0.000 2.265 170 E HA 0.028 4.378 4.350 0.000 0.000 0.196 170 E C 1.753 178.208 176.600 -0.242 0.000 0.996 170 E CA 1.765 57.996 56.400 -0.282 0.000 0.832 170 E CB -0.524 29.238 29.700 0.104 0.000 0.756 170 E HN 0.842 nan 8.360 nan 0.000 0.491 171 G N -0.823 107.777 108.800 -0.334 0.000 2.744 171 G HA2 0.018 3.978 3.960 0.000 0.000 0.211 171 G HA3 0.018 3.978 3.960 0.000 0.000 0.211 171 G C 0.910 175.609 174.900 -0.335 0.000 1.143 171 G CA 0.429 45.342 45.100 -0.313 0.000 0.788 171 G HN 0.295 nan 8.290 nan 0.000 0.534 172 A N 0.602 123.168 122.820 -0.422 0.000 2.701 172 A HA 0.535 4.855 4.320 0.000 0.000 0.297 172 A C 1.110 178.467 177.584 -0.379 0.000 1.197 172 A CA 0.387 52.178 52.037 -0.410 0.000 0.963 172 A CB -0.344 18.427 19.000 -0.382 0.000 1.175 172 A HN 0.322 nan 8.150 nan 0.000 0.531 173 T N -3.079 111.303 114.554 -0.287 0.000 2.770 173 T HA 0.618 4.968 4.350 0.000 0.000 0.281 173 T C -0.339 174.155 174.700 -0.343 0.000 0.981 173 T CA -0.291 61.761 62.100 -0.080 0.000 0.955 173 T CB 0.415 69.343 68.868 0.100 0.000 1.060 173 T HN 0.117 nan 8.240 nan 0.000 0.531 174 F N 1.501 121.145 119.950 -0.511 0.000 2.334 174 F HA 0.422 4.949 4.527 0.000 0.000 0.367 174 F C 1.030 176.449 175.800 -0.636 0.000 1.115 174 F CA -0.722 56.715 58.000 -0.939 0.000 1.116 174 F CB 1.259 38.927 39.000 -2.219 0.000 1.230 174 F HN 0.686 nan 8.300 nan 0.000 0.484 175 S N 3.282 118.853 115.700 -0.214 0.000 2.499 175 S HA 0.174 4.644 4.470 0.000 0.000 0.279 175 S C 0.915 175.638 174.600 0.204 0.000 1.219 175 S CA -0.685 57.527 58.200 0.020 0.000 1.062 175 S CB 1.550 64.753 63.200 0.006 0.000 0.978 175 S HN 0.567 nan 8.310 nan 0.000 0.489 176 V N 4.984 125.094 119.914 0.327 0.000 2.490 176 V HA -0.133 3.987 4.120 0.000 0.000 0.250 176 V C 2.485 178.767 176.094 0.313 0.000 1.061 176 V CA 2.859 65.434 62.300 0.457 0.000 1.064 176 V CB -1.149 30.877 31.823 0.338 0.000 0.670 176 V HN 1.113 nan 8.190 nan 0.000 0.461 177 T N -2.847 111.825 114.554 0.197 0.000 2.770 177 T HA -0.188 4.162 4.350 0.000 0.000 0.263 177 T C 1.746 176.555 174.700 0.181 0.000 1.039 177 T CA 1.369 63.557 62.100 0.146 0.000 1.142 177 T CB -0.646 68.282 68.868 0.100 0.000 0.868 177 T HN 0.481 nan 8.240 nan 0.000 0.435 178 D N 0.221 120.717 120.400 0.159 0.000 2.133 178 D HA -0.167 4.473 4.640 0.000 0.000 0.192 178 D C 1.605 178.066 176.300 0.269 0.000 1.001 178 D CA 1.233 55.309 54.000 0.127 0.000 0.844 178 D CB -0.517 40.248 40.800 -0.059 0.000 0.944 178 D HN 0.476 nan 8.370 nan 0.000 0.447 179 W N 1.186 122.535 121.300 0.082 0.000 2.311 179 W HA -0.134 4.526 4.660 0.000 0.000 0.326 179 W C 2.113 178.718 176.519 0.143 0.000 1.239 179 W CA 1.171 58.603 57.345 0.145 0.000 1.258 179 W CB -1.032 28.575 29.460 0.245 0.000 1.165 179 W HN 0.062 nan 8.180 nan 0.000 0.466 180 L N 1.118 122.455 121.223 0.189 0.000 2.275 180 L HA -0.170 4.170 4.340 0.000 0.000 0.215 180 L C 2.422 179.315 176.870 0.038 0.000 1.119 180 L CA 1.660 56.478 54.840 -0.037 0.000 0.790 180 L CB -1.146 40.850 42.059 -0.104 0.000 0.919 180 L HN 0.121 nan 8.230 nan 0.000 0.443 181 S N -2.590 113.196 115.700 0.143 0.000 2.593 181 S HA -0.060 4.410 4.470 0.000 0.000 0.217 181 S C 0.896 175.484 174.600 -0.020 0.000 0.966 181 S CA 0.049 58.295 58.200 0.077 0.000 0.914 181 S CB -0.254 63.013 63.200 0.110 0.000 0.776 181 S HN 0.463 nan 8.310 nan 0.000 0.523 182 H N 0.853 119.960 119.070 0.061 0.000 2.492 182 H HA 0.467 5.023 4.556 0.000 0.000 0.264 182 H C -0.609 174.747 175.328 0.048 0.000 1.150 182 H CA -0.154 55.927 56.048 0.055 0.000 0.962 182 H CB 0.575 30.387 29.762 0.083 0.000 1.766 182 H HN 0.237 nan 8.280 nan 0.000 0.589 183 T N 1.135 115.718 114.554 0.047 0.000 2.893 183 T HA 0.316 4.666 4.350 0.000 0.000 0.291 183 T C -2.539 172.054 174.700 -0.178 0.000 1.028 183 T CA -1.673 60.392 62.100 -0.057 0.000 0.995 183 T CB 1.957 70.791 68.868 -0.055 0.000 1.051 183 T HN -0.058 nan 8.240 nan 0.000 0.470 184 P HA 0.152 nan 4.420 nan 0.000 0.260 184 P C 0.984 178.183 177.300 -0.168 0.000 1.185 184 P CA 0.113 62.972 63.100 -0.402 0.000 0.763 184 P CB 0.221 31.337 31.700 -0.974 0.000 0.776 185 I N 2.789 123.311 120.570 -0.079 0.000 2.113 185 I HA -0.382 3.788 4.170 0.000 0.000 0.242 185 I C 2.153 178.316 176.117 0.075 0.000 1.064 185 I CA 2.115 63.414 61.300 -0.002 0.000 1.320 185 I CB -0.743 37.258 38.000 0.002 0.000 1.028 185 I HN 0.408 nan 8.210 nan 0.000 0.406 186 A N 0.199 123.096 122.820 0.128 0.000 1.986 186 A HA -0.233 4.087 4.320 0.000 0.000 0.220 186 A C 1.866 179.630 177.584 0.300 0.000 1.171 186 A CA 1.839 54.002 52.037 0.211 0.000 0.640 186 A CB -0.897 18.254 19.000 0.252 0.000 0.811 186 A HN 0.573 nan 8.150 nan 0.000 0.451 187 W N -0.633 120.649 121.300 -0.031 0.000 2.453 187 W HA 0.057 4.717 4.660 0.000 0.000 0.289 187 W C 2.217 178.680 176.519 -0.093 0.000 1.215 187 W CA 0.508 57.822 57.345 -0.051 0.000 1.297 187 W CB -1.364 28.071 29.460 -0.042 0.000 1.113 187 W HN 0.112 nan 8.180 nan 0.000 0.551 188 V N 0.956 120.938 119.914 0.113 0.000 2.407 188 V HA -0.271 3.850 4.120 0.000 0.000 0.248 188 V C 2.088 178.152 176.094 -0.051 0.000 1.055 188 V CA 2.048 64.323 62.300 -0.043 0.000 1.049 188 V CB -0.805 30.967 31.823 -0.084 0.000 0.662 188 V HN 0.196 nan 8.190 nan 0.000 0.455 189 E N 0.186 120.410 120.200 0.039 0.000 2.038 189 E HA -0.308 4.042 4.350 0.000 0.000 0.195 189 E C 2.241 178.862 176.600 0.035 0.000 1.000 189 E CA 1.628 58.072 56.400 0.073 0.000 0.803 189 E CB -0.209 29.552 29.700 0.101 0.000 0.750 189 E HN 0.709 nan 8.360 nan 0.000 0.448 190 E N 1.070 121.282 120.200 0.021 0.000 2.077 190 E HA -0.218 4.132 4.350 0.000 0.000 0.193 190 E C 1.937 178.502 176.600 -0.058 0.000 0.989 190 E CA 1.181 57.569 56.400 -0.019 0.000 0.800 190 E CB -0.062 29.607 29.700 -0.052 0.000 0.746 190 E HN 0.158 nan 8.360 nan 0.000 0.452 191 N N -0.597 118.054 118.700 -0.083 0.000 2.166 191 N HA -0.097 4.643 4.740 0.000 0.000 0.186 191 N C 1.547 176.946 175.510 -0.184 0.000 1.019 191 N CA 0.737 53.707 53.050 -0.133 0.000 0.856 191 N CB 0.139 38.531 38.487 -0.158 0.000 0.993 191 N HN 0.152 nan 8.380 nan 0.000 0.426 192 L N -0.921 120.156 121.223 -0.244 0.000 2.616 192 L HA 0.294 4.635 4.340 0.000 0.000 0.229 192 L C 0.759 177.547 176.870 -0.136 0.000 1.110 192 L CA 0.031 54.629 54.840 -0.405 0.000 0.884 192 L CB 0.155 41.616 42.059 -0.997 0.000 1.115 192 L HN 0.170 nan 8.230 nan 0.000 0.481 193 G N 0.245 109.050 108.800 0.008 0.000 2.359 193 G HA2 -0.261 3.699 3.960 0.000 0.000 0.298 193 G HA3 -0.261 3.699 3.960 0.000 0.000 0.298 193 G C -0.798 174.323 174.900 0.368 0.000 1.030 193 G CA -0.102 45.082 45.100 0.139 0.000 1.149 193 G HN 0.213 nan 8.290 nan 0.000 0.512 194 W N -0.641 120.649 121.300 -0.018 0.000 2.950 194 W HA 0.715 5.375 4.660 0.000 0.000 0.340 194 W C 0.810 177.323 176.519 -0.009 0.000 1.139 194 W CA -0.578 56.758 57.345 -0.015 0.000 1.188 194 W CB 1.062 30.511 29.460 -0.018 0.000 1.426 194 W HN 0.599 nan 8.180 nan 0.000 0.531 195 T N -0.954 113.691 114.554 0.152 0.000 2.849 195 T HA 0.510 4.860 4.350 0.000 0.000 0.284 195 T C 1.096 175.858 174.700 0.105 0.000 1.004 195 T CA 0.178 62.328 62.100 0.083 0.000 1.021 195 T CB 1.397 70.270 68.868 0.008 0.000 1.013 195 T HN 0.534 nan 8.240 nan 0.000 0.527 196 A N 1.608 124.472 122.820 0.073 0.000 1.908 196 A HA 0.116 4.436 4.320 0.000 0.000 0.218 196 A C 2.713 180.328 177.584 0.052 0.000 1.181 196 A CA 2.129 54.207 52.037 0.068 0.000 0.627 196 A CB -1.650 17.378 19.000 0.046 0.000 0.818 196 A HN 1.360 nan 8.150 nan 0.000 0.445 197 A N -0.706 122.127 122.820 0.022 0.000 1.917 197 A HA -0.292 4.028 4.320 0.000 0.000 0.219 197 A C 2.135 179.711 177.584 -0.013 0.000 1.182 197 A CA 1.942 53.977 52.037 -0.003 0.000 0.633 197 A CB -0.631 18.354 19.000 -0.026 0.000 0.819 197 A HN 0.697 nan 8.150 nan 0.000 0.448 198 Q N -0.919 118.862 119.800 -0.032 0.000 2.123 198 Q HA -0.053 4.287 4.340 0.000 0.000 0.199 198 Q C 2.104 178.192 176.000 0.147 0.000 0.966 198 Q CA 1.353 57.086 55.803 -0.116 0.000 0.845 198 Q CB -0.257 28.232 28.738 -0.415 0.000 0.907 198 Q HN 0.481 nan 8.270 nan 0.000 0.439 199 V N 1.064 121.150 119.914 0.287 0.000 2.515 199 V HA -0.224 3.896 4.120 0.000 0.000 0.250 199 V C 2.166 178.352 176.094 0.152 0.000 1.058 199 V CA 1.592 64.069 62.300 0.296 0.000 1.064 199 V CB -0.749 31.193 31.823 0.199 0.000 0.675 199 V HN 0.369 nan 8.190 nan 0.000 0.461 200 A N -1.011 121.863 122.820 0.091 0.000 2.131 200 A HA -0.270 4.050 4.320 0.000 0.000 0.220 200 A C 2.107 179.718 177.584 0.045 0.000 1.158 200 A CA 1.652 53.719 52.037 0.050 0.000 0.665 200 A CB -0.384 18.633 19.000 0.028 0.000 0.795 200 A HN 0.646 nan 8.150 nan 0.000 0.460 201 Q N -0.740 119.096 119.800 0.060 0.000 2.331 201 Q HA 0.196 4.536 4.340 0.000 0.000 0.203 201 Q C 0.068 176.097 176.000 0.048 0.000 0.944 201 Q CA -0.100 55.727 55.803 0.040 0.000 0.892 201 Q CB -0.105 28.643 28.738 0.017 0.000 0.983 201 Q HN 0.637 nan 8.270 nan 0.000 0.482 202 L N 2.011 123.291 121.223 0.096 0.000 2.483 202 L HA 0.085 4.425 4.340 0.000 0.000 0.275 202 L C -1.908 174.981 176.870 0.031 0.000 1.220 202 L CA -1.717 53.165 54.840 0.070 0.000 0.833 202 L CB -0.302 41.805 42.059 0.079 0.000 1.102 202 L HN -0.036 nan 8.230 nan 0.000 0.490 203 P HA 0.038 nan 4.420 nan 0.000 0.270 203 P C -0.372 176.951 177.300 0.038 0.000 1.227 203 P CA -0.060 63.054 63.100 0.023 0.000 0.788 203 P CB 0.535 32.254 31.700 0.032 0.000 0.926 204 K N 0.088 120.511 120.400 0.038 0.000 2.353 204 K HA 0.097 4.417 4.320 0.000 0.000 0.195 204 K C 0.553 177.189 176.600 0.060 0.000 1.031 204 K CA 0.353 56.657 56.287 0.029 0.000 1.079 204 K CB 0.185 32.693 32.500 0.013 0.000 0.857 204 K HN 0.467 nan 8.250 nan 0.000 0.535 205 K N -0.870 119.591 120.400 0.100 0.000 2.571 205 K HA 0.136 4.457 4.320 0.000 0.000 0.289 205 K C -1.341 175.334 176.600 0.125 0.000 1.028 205 K CA -1.081 55.299 56.287 0.155 0.000 0.895 205 K CB 0.643 33.213 32.500 0.116 0.000 1.534 205 K HN -0.182 nan 8.250 nan 0.000 0.421 206 Q N 1.147 121.006 119.800 0.100 0.000 2.264 206 Q HA -0.002 4.338 4.340 0.000 0.000 0.296 206 Q C 0.121 176.188 176.000 0.111 0.000 1.103 206 Q CA -0.013 55.836 55.803 0.076 0.000 0.967 206 Q CB 0.719 29.470 28.738 0.022 0.000 1.090 206 Q HN 0.535 nan 8.270 nan 0.000 0.379 207 V N 4.984 124.965 119.914 0.112 0.000 2.407 207 V HA -0.174 3.946 4.120 0.000 0.000 0.245 207 V C 1.037 177.236 176.094 0.175 0.000 1.041 207 V CA 1.859 64.233 62.300 0.123 0.000 1.040 207 V CB -1.172 30.701 31.823 0.083 0.000 0.671 207 V HN 1.076 nan 8.190 nan 0.000 0.455 208 Y N -0.650 119.631 120.300 -0.033 0.000 2.765 208 Y HA -0.370 4.180 4.550 0.000 0.000 0.475 208 Y C 0.467 176.275 175.900 -0.153 0.000 1.140 208 Y CA 1.667 59.682 58.100 -0.140 0.000 2.801 208 Y CB -0.790 37.524 38.460 -0.243 0.000 1.100 208 Y HN 0.172 nan 8.280 nan 0.000 0.598 209 I N 0.979 121.493 120.570 -0.095 0.000 2.498 209 I HA 0.449 4.619 4.170 0.000 0.000 0.290 209 I C -0.515 175.655 176.117 0.088 0.000 1.032 209 I CA -0.409 60.846 61.300 -0.075 0.000 1.073 209 I CB 1.844 39.805 38.000 -0.065 0.000 1.251 209 I HN 0.251 nan 8.210 nan 0.000 0.426 210 S N 2.705 118.454 115.700 0.082 0.000 2.536 210 S HA 0.525 4.995 4.470 0.000 0.000 0.298 210 S C -0.012 174.669 174.600 0.135 0.000 1.083 210 S CA -0.306 57.971 58.200 0.128 0.000 0.995 210 S CB 1.615 64.887 63.200 0.120 0.000 1.058 210 S HN 0.572 nan 8.310 nan 0.000 0.488 211 S N 2.631 118.426 115.700 0.157 0.000 2.855 211 S HA 0.153 4.623 4.470 0.000 0.000 0.249 211 S C 0.346 175.028 174.600 0.135 0.000 1.033 211 S CA -0.426 57.850 58.200 0.128 0.000 1.038 211 S CB -0.141 63.122 63.200 0.105 0.000 0.960 211 S HN 0.766 nan 8.310 nan 0.000 0.548 212 Y N 3.003 123.336 120.300 0.056 0.000 2.333 212 Y HA 0.226 4.776 4.550 0.000 0.000 0.290 212 Y C 1.157 177.082 175.900 0.042 0.000 1.144 212 Y CA 1.581 59.711 58.100 0.050 0.000 1.228 212 Y CB -0.160 38.331 38.460 0.052 0.000 0.985 212 Y HN 0.418 nan 8.280 nan 0.000 0.542 213 G N 0.147 109.035 108.800 0.146 0.000 2.710 213 G HA2 -0.164 3.796 3.960 0.000 0.000 0.668 213 G HA3 -0.164 3.796 3.960 0.000 0.000 0.668 213 G C -2.576 172.414 174.900 0.150 0.000 1.320 213 G CA -0.700 44.439 45.100 0.066 0.000 0.860 213 G HN 0.310 nan 8.290 nan 0.000 0.538 214 P HA 0.568 nan 4.420 nan 0.000 0.278 214 P C 0.427 177.753 177.300 0.043 0.000 1.238 214 P CA 0.468 63.591 63.100 0.037 0.000 0.794 214 P CB 0.893 32.611 31.700 0.031 0.000 0.955 215 A N 2.775 125.613 122.820 0.030 0.000 2.555 215 A HA 0.147 4.467 4.320 0.000 0.000 0.233 215 A C 0.759 178.358 177.584 0.026 0.000 1.060 215 A CA 0.244 52.300 52.037 0.031 0.000 0.759 215 A CB -0.595 18.420 19.000 0.025 0.000 0.995 215 A HN 0.566 nan 8.150 nan 0.000 0.506 216 S N 0.348 116.062 115.700 0.023 0.000 2.593 216 S HA 0.496 4.966 4.470 0.000 0.000 0.269 216 S C 1.033 175.641 174.600 0.013 0.000 1.334 216 S CA 0.012 58.222 58.200 0.016 0.000 1.015 216 S CB 1.151 64.357 63.200 0.009 0.000 0.912 216 S HN 1.138 nan 8.310 nan 0.000 0.541 217 G N 1.118 109.924 108.800 0.010 0.000 2.641 217 G HA2 0.554 4.514 3.960 0.000 0.000 0.239 217 G HA3 0.554 4.514 3.960 0.000 0.000 0.239 217 G C -2.714 172.189 174.900 0.006 0.000 1.402 217 G CA -1.208 43.897 45.100 0.008 0.000 1.046 217 G HN 0.473 nan 8.290 nan 0.000 0.565 218 P HA 0.095 nan 4.420 nan 0.000 0.267 218 P C 0.908 178.209 177.300 0.002 0.000 1.200 218 P CA -0.594 62.508 63.100 0.004 0.000 0.772 218 P CB 0.761 32.464 31.700 0.004 0.000 0.855 219 L N 3.357 124.581 121.223 0.001 0.000 2.042 219 L HA -0.195 4.145 4.340 0.000 0.000 0.210 219 L C 2.079 178.949 176.870 0.000 0.000 1.076 219 L CA 2.378 57.218 54.840 -0.001 0.000 0.749 219 L CB -1.560 40.499 42.059 -0.001 0.000 0.893 219 L HN 0.476 nan 8.230 nan 0.000 0.432 220 A N -2.192 120.628 122.820 0.002 0.000 2.070 220 A HA -0.122 4.198 4.320 0.000 0.000 0.220 220 A C 2.322 179.906 177.584 0.001 0.000 1.159 220 A CA 1.726 53.764 52.037 0.002 0.000 0.656 220 A CB -0.565 18.436 19.000 0.002 0.000 0.800 220 A HN 0.505 nan 8.150 nan 0.000 0.453 221 S N -0.800 114.901 115.700 0.002 0.000 2.548 221 S HA 0.321 4.791 4.470 0.000 0.000 0.215 221 S C 1.188 175.789 174.600 0.001 0.000 0.976 221 S CA 0.298 58.499 58.200 0.002 0.000 0.908 221 S CB 0.058 63.260 63.200 0.003 0.000 0.781 221 S HN 0.663 nan 8.310 nan 0.000 0.519 222 A N 3.224 126.044 122.820 -0.001 0.000 3.051 222 A HA 0.332 4.652 4.320 0.000 0.000 0.257 222 A C 0.825 178.405 177.584 -0.006 0.000 1.785 222 A CA -0.333 51.702 52.037 -0.004 0.000 1.420 222 A CB -1.043 17.953 19.000 -0.007 0.000 1.063 222 A HN 0.355 nan 8.150 nan 0.000 0.630 223 T N -0.704 113.847 114.554 -0.004 0.000 2.882 223 T HA 0.588 4.938 4.350 0.000 0.000 0.287 223 T C -2.325 172.370 174.700 -0.009 0.000 0.992 223 T CA -1.736 60.361 62.100 -0.006 0.000 1.076 223 T CB 0.728 69.594 68.868 -0.004 0.000 0.961 223 T HN 0.239 nan 8.240 nan 0.000 0.490 224 P HA 0.185 nan 4.420 nan 0.000 0.268 224 P C 0.741 178.033 177.300 -0.013 0.000 1.208 224 P CA -0.354 62.734 63.100 -0.020 0.000 0.777 224 P CB 0.480 32.163 31.700 -0.028 0.000 0.875 225 Q N -0.055 119.737 119.800 -0.012 0.000 2.311 225 Q HA 0.096 4.436 4.340 0.000 0.000 0.203 225 Q C 0.782 176.778 176.000 -0.006 0.000 0.954 225 Q CA 0.694 56.496 55.803 -0.003 0.000 0.885 225 Q CB 0.127 28.869 28.738 0.006 0.000 0.963 225 Q HN 0.641 nan 8.270 nan 0.000 0.471 226 G N -0.153 108.638 108.800 -0.016 0.000 2.620 226 G HA2 0.218 4.178 3.960 0.000 0.000 0.301 226 G HA3 0.218 4.178 3.960 0.000 0.000 0.301 226 G C -0.961 173.925 174.900 -0.024 0.000 1.347 226 G CA -0.651 44.438 45.100 -0.019 0.000 0.971 226 G HN -0.120 nan 8.290 nan 0.000 0.488 227 Q N 0.721 120.507 119.800 -0.022 0.000 2.955 227 Q HA -0.017 4.323 4.340 0.000 0.000 0.361 227 Q C -0.158 175.822 176.000 -0.033 0.000 1.060 227 Q CA 1.072 56.861 55.803 -0.024 0.000 1.177 227 Q CB 0.038 28.762 28.738 -0.024 0.000 0.991 227 Q HN 0.431 nan 8.270 nan 0.000 0.414 228 T N 1.641 116.175 114.554 -0.033 0.000 2.928 228 T HA 0.533 4.883 4.350 0.000 0.000 0.296 228 T C -0.365 174.313 174.700 -0.037 0.000 1.000 228 T CA -0.498 61.576 62.100 -0.044 0.000 0.989 228 T CB 1.518 70.355 68.868 -0.052 0.000 1.005 228 T HN 0.604 nan 8.240 nan 0.000 0.442 229 A N 3.721 126.516 122.820 -0.041 0.000 2.466 229 A HA 0.429 4.749 4.320 0.000 0.000 0.238 229 A C 0.367 177.934 177.584 -0.028 0.000 1.074 229 A CA -0.077 51.941 52.037 -0.031 0.000 0.774 229 A CB 0.208 19.187 19.000 -0.034 0.000 1.015 229 A HN 0.743 nan 8.150 nan 0.000 0.498 230 K N 1.269 121.663 120.400 -0.010 0.000 2.118 230 K HA 0.402 4.722 4.320 0.000 0.000 0.267 230 K C -0.667 175.945 176.600 0.020 0.000 0.991 230 K CA -0.350 55.940 56.287 0.005 0.000 0.916 230 K CB 1.337 33.849 32.500 0.020 0.000 1.041 230 K HN 0.603 nan 8.250 nan 0.000 0.455 231 I N 2.520 123.113 120.570 0.039 0.000 2.598 231 I HA -0.110 4.061 4.170 0.000 0.000 0.284 231 I C 1.543 177.736 176.117 0.127 0.000 1.140 231 I CA 0.616 61.970 61.300 0.090 0.000 1.420 231 I CB 0.417 38.495 38.000 0.130 0.000 1.387 231 I HN 0.668 nan 8.210 nan 0.000 0.553 232 E N 4.182 124.461 120.200 0.132 0.000 2.251 232 E HA 0.053 4.403 4.350 0.000 0.000 0.194 232 E C 0.062 176.754 176.600 0.152 0.000 0.964 232 E CA 0.330 56.801 56.400 0.119 0.000 0.868 232 E CB 0.569 30.318 29.700 0.082 0.000 0.828 232 E HN 0.375 nan 8.360 nan 0.000 0.481 233 V N 4.726 124.758 119.914 0.197 0.000 2.446 233 V HA 0.050 4.170 4.120 0.000 0.000 0.276 233 V C -2.263 173.988 176.094 0.262 0.000 1.030 233 V CA -1.123 61.293 62.300 0.194 0.000 1.033 233 V CB 0.186 32.114 31.823 0.176 0.000 0.993 233 V HN 0.054 nan 8.190 nan 0.000 0.477 234 P HA 0.075 nan 4.420 nan 0.000 0.263 234 P C -0.163 177.320 177.300 0.305 0.000 1.195 234 P CA 0.279 63.541 63.100 0.271 0.000 0.762 234 P CB 0.247 32.093 31.700 0.242 0.000 0.799 235 H N -0.369 118.916 119.070 0.359 0.000 2.505 235 H HA 0.190 4.746 4.556 0.000 0.000 0.286 235 H C 0.607 176.258 175.328 0.539 0.000 1.072 235 H CA 0.208 56.524 56.048 0.447 0.000 1.141 235 H CB 0.140 30.134 29.762 0.388 0.000 1.550 235 H HN 0.365 nan 8.280 nan 0.000 0.547 236 T N -3.007 111.829 114.554 0.471 0.000 2.864 236 T HA 0.547 4.897 4.350 0.000 0.000 0.289 236 T C -1.085 173.546 174.700 -0.114 0.000 1.082 236 T CA -0.957 61.263 62.100 0.200 0.000 1.009 236 T CB 2.815 71.769 68.868 0.144 0.000 1.234 236 T HN 0.300 nan 8.240 nan 0.000 0.526 237 H N -0.187 118.597 119.070 -0.476 0.000 3.114 237 H HA 0.426 4.982 4.556 0.000 0.000 0.325 237 H C -1.686 173.411 175.328 -0.385 0.000 1.206 237 H CA -0.495 55.187 56.048 -0.610 0.000 1.316 237 H CB 1.282 30.180 29.762 -1.441 0.000 1.981 237 H HN 0.655 nan 8.280 nan 0.000 0.527 238 N N 4.505 122.795 118.700 -0.684 0.000 2.437 238 N HA 0.068 4.808 4.740 0.000 0.000 0.243 238 N C 0.082 175.454 175.510 -0.229 0.000 1.041 238 N CA -0.264 52.564 53.050 -0.371 0.000 0.940 238 N CB 0.825 39.138 38.487 -0.290 0.000 1.133 238 N HN 0.598 nan 8.380 nan 0.000 0.506 239 L N 4.960 126.192 121.223 0.015 0.000 2.121 239 L HA 0.197 4.537 4.340 0.000 0.000 0.200 239 L C 1.733 178.680 176.870 0.128 0.000 1.077 239 L CA 1.201 56.139 54.840 0.164 0.000 0.766 239 L CB -1.039 41.177 42.059 0.260 0.000 0.931 239 L HN 0.586 nan 8.230 nan 0.000 0.452 240 L N 0.149 121.465 121.223 0.156 0.000 2.187 240 L HA -0.035 4.305 4.340 0.000 0.000 0.213 240 L C 2.070 178.973 176.870 0.054 0.000 1.100 240 L CA 1.989 56.908 54.840 0.132 0.000 0.765 240 L CB -1.207 40.948 42.059 0.159 0.000 0.904 240 L HN 0.359 nan 8.230 nan 0.000 0.437 241 G N -1.571 107.235 108.800 0.010 0.000 2.813 241 G HA2 -0.065 3.895 3.960 0.000 0.000 0.209 241 G HA3 -0.065 3.895 3.960 0.000 0.000 0.209 241 G C 0.717 175.609 174.900 -0.014 0.000 1.150 241 G CA -0.274 44.816 45.100 -0.017 0.000 0.785 241 G HN 0.445 nan 8.290 nan 0.000 0.535 242 Q N 0.361 120.165 119.800 0.007 0.000 2.421 242 Q HA 0.154 4.494 4.340 0.000 0.000 0.255 242 Q C 0.033 176.045 176.000 0.020 0.000 1.013 242 Q CA -0.323 55.492 55.803 0.020 0.000 0.895 242 Q CB 0.566 29.341 28.738 0.062 0.000 1.271 242 Q HN 0.117 nan 8.270 nan 0.000 0.460 243 Q N 2.002 121.812 119.800 0.018 0.000 2.361 243 Q HA 0.137 4.477 4.340 0.000 0.000 0.276 243 Q C -2.185 173.830 176.000 0.026 0.000 1.022 243 Q CA -1.500 54.313 55.803 0.016 0.000 0.898 243 Q CB -0.177 28.569 28.738 0.014 0.000 1.246 243 Q HN 0.349 nan 8.270 nan 0.000 0.410 244 P HA -0.030 nan 4.420 nan 0.000 0.269 244 P C 0.406 177.728 177.300 0.037 0.000 1.209 244 P CA -0.187 62.937 63.100 0.039 0.000 0.776 244 P CB 0.540 32.266 31.700 0.043 0.000 0.876 245 L N 3.632 124.876 121.223 0.036 0.000 2.270 245 L HA 0.114 4.454 4.340 0.000 0.000 0.210 245 L C 0.117 177.005 176.870 0.031 0.000 1.104 245 L CA 1.491 56.340 54.840 0.016 0.000 0.804 245 L CB 0.385 42.431 42.059 -0.022 0.000 0.937 245 L HN 0.100 nan 8.230 nan 0.000 0.450 246 V N -1.096 118.863 119.914 0.074 0.000 2.851 246 V HA 0.484 4.604 4.120 0.000 0.000 0.307 246 V C -0.791 175.418 176.094 0.191 0.000 1.129 246 V CA -0.575 61.795 62.300 0.117 0.000 0.932 246 V CB 1.806 33.689 31.823 0.101 0.000 1.024 246 V HN 0.007 nan 8.190 nan 0.000 0.426 247 S N 3.810 119.601 115.700 0.152 0.000 2.779 247 S HA 0.781 5.251 4.470 0.000 0.000 0.293 247 S C -1.498 173.162 174.600 0.099 0.000 1.150 247 S CA -0.336 57.927 58.200 0.105 0.000 1.057 247 S CB 1.052 64.282 63.200 0.051 0.000 1.021 247 S HN 0.642 nan 8.310 nan 0.000 0.485 248 L N 4.466 125.733 121.223 0.074 0.000 2.441 248 L HA 0.709 5.049 4.340 0.000 0.000 0.270 248 L C 0.557 177.418 176.870 -0.015 0.000 0.973 248 L CA 0.567 55.445 54.840 0.064 0.000 0.842 248 L CB 1.191 43.348 42.059 0.165 0.000 1.239 248 L HN 0.828 nan 8.230 nan 0.000 0.406 249 G N 3.535 112.333 108.800 -0.003 0.000 2.412 249 G HA2 0.068 4.028 3.960 0.000 0.000 0.297 249 G HA3 0.068 4.028 3.960 0.000 0.000 0.297 249 G C 1.051 175.929 174.900 -0.037 0.000 0.965 249 G CA 1.013 46.103 45.100 -0.015 0.000 1.134 249 G HN 2.084 nan 8.290 nan 0.000 0.511 250 G N -1.018 107.760 108.800 -0.038 0.000 2.268 250 G HA2 -0.301 3.659 3.960 0.000 0.000 0.240 250 G HA3 -0.301 3.659 3.960 0.000 0.000 0.240 250 G C 0.353 175.228 174.900 -0.042 0.000 1.010 250 G CA 0.329 45.414 45.100 -0.024 0.000 0.618 250 G HN 1.029 nan 8.290 nan 0.000 0.516 251 N N 1.896 120.474 118.700 -0.203 0.000 2.499 251 N HA 0.490 5.230 4.740 0.000 0.000 0.281 251 N C -0.420 174.798 175.510 -0.487 0.000 1.098 251 N CA 0.380 53.116 53.050 -0.523 0.000 0.979 251 N CB 1.022 38.854 38.487 -1.093 0.000 1.121 251 N HN 0.637 nan 8.380 nan 0.000 0.466 252 E N 1.035 121.035 120.200 -0.333 0.000 2.321 252 E HA 0.353 4.703 4.350 0.000 0.000 0.278 252 E C -1.234 175.516 176.600 0.250 0.000 0.902 252 E CA -0.775 55.649 56.400 0.041 0.000 0.758 252 E CB 2.582 32.301 29.700 0.031 0.000 1.213 252 E HN 0.264 nan 8.360 nan 0.000 0.426 253 L N 1.736 123.152 121.223 0.322 0.000 2.362 253 L HA 0.540 4.880 4.340 0.000 0.000 0.275 253 L C -1.212 175.721 176.870 0.105 0.000 0.998 253 L CA -0.265 54.717 54.840 0.236 0.000 0.820 253 L CB 1.399 43.569 42.059 0.186 0.000 1.270 253 L HN 0.453 nan 8.230 nan 0.000 0.415 254 R N 4.273 124.819 120.500 0.076 0.000 2.494 254 R HA 0.732 5.072 4.340 0.000 0.000 0.305 254 R C -1.655 174.658 176.300 0.023 0.000 0.959 254 R CA -0.821 55.310 56.100 0.050 0.000 0.864 254 R CB 1.883 32.225 30.300 0.070 0.000 1.159 254 R HN 0.616 nan 8.270 nan 0.000 0.446 255 L N 2.057 123.276 121.223 -0.007 0.000 2.381 255 L HA 0.637 4.977 4.340 0.000 0.000 0.274 255 L C -1.248 175.617 176.870 -0.007 0.000 0.988 255 L CA -0.194 54.608 54.840 -0.063 0.000 0.824 255 L CB 2.074 43.998 42.059 -0.226 0.000 1.263 255 L HN 0.757 nan 8.230 nan 0.000 0.410 256 A N 3.617 126.459 122.820 0.035 0.000 2.508 256 A HA 0.670 4.990 4.320 0.000 0.000 0.336 256 A C -0.035 177.578 177.584 0.050 0.000 1.360 256 A CA 0.051 52.114 52.037 0.045 0.000 0.841 256 A CB 0.248 19.302 19.000 0.090 0.000 1.136 256 A HN 0.810 nan 8.150 nan 0.000 0.489 257 S N 1.351 117.043 115.700 -0.012 0.000 2.647 257 S HA 0.661 5.131 4.470 0.000 0.000 0.284 257 S C 1.402 175.979 174.600 -0.039 0.000 1.134 257 S CA 0.164 58.348 58.200 -0.026 0.000 1.027 257 S CB 0.803 63.986 63.200 -0.028 0.000 1.180 257 S HN 1.442 nan 8.310 nan 0.000 0.521 258 A N 0.213 122.990 122.820 -0.072 0.000 2.172 258 A HA 0.057 4.377 4.320 0.000 0.000 0.216 258 A C 2.045 179.601 177.584 -0.047 0.000 1.154 258 A CA 0.952 52.931 52.037 -0.097 0.000 0.701 258 A CB -0.740 18.208 19.000 -0.087 0.000 0.789 258 A HN 0.791 nan 8.150 nan 0.000 0.465 259 K N -0.066 120.321 120.400 -0.022 0.000 2.116 259 K HA -0.091 4.229 4.320 0.000 0.000 0.203 259 K C 1.573 178.185 176.600 0.020 0.000 1.052 259 K CA 1.305 57.592 56.287 -0.001 0.000 0.952 259 K CB 0.018 32.519 32.500 0.002 0.000 0.729 259 K HN 0.676 nan 8.250 nan 0.000 0.446 260 E N -0.337 119.874 120.200 0.018 0.000 2.415 260 E HA -0.047 4.303 4.350 0.000 0.000 0.197 260 E C 0.083 176.710 176.600 0.045 0.000 1.007 260 E CA 0.275 56.707 56.400 0.053 0.000 0.890 260 E CB 0.225 29.966 29.700 0.068 0.000 0.891 260 E HN 0.100 nan 8.360 nan 0.000 0.496 261 F N 3.258 123.058 119.950 -0.251 0.000 2.710 261 F HA 0.364 4.891 4.527 0.000 0.000 0.345 261 F C -2.315 173.373 175.800 -0.186 0.000 1.362 261 F CA -3.258 54.562 58.000 -0.301 0.000 1.175 261 F CB 1.495 40.169 39.000 -0.543 0.000 1.561 261 F HN -0.261 nan 8.300 nan 0.000 0.593 262 P HA -0.036 nan 4.420 nan 0.000 0.225 262 P C 1.654 178.739 177.300 -0.359 0.000 1.148 262 P CA 1.313 64.301 63.100 -0.186 0.000 0.779 262 P CB 0.173 31.834 31.700 -0.066 0.000 0.780 263 G N 0.362 108.804 108.800 -0.597 0.000 2.418 263 G HA2 -0.214 3.747 3.960 0.000 0.000 0.217 263 G HA3 -0.214 3.747 3.960 0.000 0.000 0.217 263 G C 1.178 175.479 174.900 -0.998 0.000 1.158 263 G CA 0.416 45.028 45.100 -0.814 0.000 0.771 263 G HN 0.384 nan 8.290 nan 0.000 0.545 264 S N 1.110 115.891 115.700 -1.532 0.000 4.175 264 S HA 0.197 4.667 4.470 0.000 0.000 0.193 264 S C 1.392 175.361 174.600 -1.052 0.000 1.373 264 S CA -0.311 56.882 58.200 -1.678 0.000 0.908 264 S CB -0.976 61.585 63.200 -1.064 0.000 1.547 264 S HN 0.391 nan 8.310 nan 0.000 0.440 265 F N 2.696 122.154 119.950 -0.821 0.000 2.216 265 F HA 0.029 4.556 4.527 0.000 0.000 0.300 265 F C 1.301 176.932 175.800 -0.282 0.000 1.085 265 F CA 1.069 58.821 58.000 -0.413 0.000 1.326 265 F CB -0.411 38.436 39.000 -0.255 0.000 1.027 265 F HN 0.547 nan 8.300 nan 0.000 0.497 266 N N 0.046 118.131 118.700 -1.024 0.000 2.291 266 N HA 0.235 4.975 4.740 0.000 0.000 0.244 266 N C -0.740 174.541 175.510 -0.382 0.000 1.216 266 N CA -0.159 52.550 53.050 -0.568 0.000 0.879 266 N CB -0.049 38.080 38.487 -0.597 0.000 1.167 266 N HN 0.372 nan 8.380 nan 0.000 0.515 267 M N -0.151 119.215 119.600 -0.392 0.000 2.433 267 M HA 0.383 4.863 4.480 0.000 0.000 0.290 267 M C -1.289 174.854 176.300 -0.261 0.000 1.173 267 M CA -0.303 54.830 55.300 -0.278 0.000 0.905 267 M CB 2.737 35.213 32.600 -0.206 0.000 1.692 267 M HN -0.166 nan 8.290 nan 0.000 0.462 268 T N 0.996 115.409 114.554 -0.235 0.000 2.876 268 T HA 0.786 5.136 4.350 0.000 0.000 0.289 268 T C -0.369 174.167 174.700 -0.273 0.000 1.014 268 T CA -0.704 61.321 62.100 -0.126 0.000 0.986 268 T CB 2.058 70.940 68.868 0.022 0.000 1.021 268 T HN 0.843 nan 8.240 nan 0.000 0.458 269 G N 0.455 109.157 108.800 -0.163 0.000 2.563 269 G HA2 0.780 4.740 3.960 0.000 0.000 0.302 269 G HA3 0.780 4.740 3.960 0.000 0.000 0.302 269 G C -1.523 173.416 174.900 0.066 0.000 1.301 269 G CA -0.747 44.204 45.100 -0.249 0.000 0.965 269 G HN 0.959 nan 8.290 nan 0.000 0.480 270 A N 0.674 123.519 122.820 0.041 0.000 2.556 270 A HA 0.835 5.155 4.320 0.000 0.000 0.294 270 A C -1.277 176.330 177.584 0.037 0.000 1.091 270 A CA -0.605 51.468 52.037 0.060 0.000 0.704 270 A CB 1.503 20.538 19.000 0.058 0.000 1.300 270 A HN 0.704 nan 8.150 nan 0.000 0.406 271 L N 1.682 122.930 121.223 0.042 0.000 2.313 271 L HA 0.559 4.899 4.340 0.000 0.000 0.283 271 L C -0.916 176.013 176.870 0.098 0.000 1.013 271 L CA -0.214 54.646 54.840 0.034 0.000 0.816 271 L CB 1.474 43.547 42.059 0.024 0.000 1.236 271 L HN 0.587 nan 8.230 nan 0.000 0.419 272 I N 2.390 123.030 120.570 0.117 0.000 2.378 272 I HA 0.265 4.436 4.170 0.000 0.000 0.291 272 I C -0.693 175.514 176.117 0.150 0.000 0.992 272 I CA -0.605 60.801 61.300 0.177 0.000 1.154 272 I CB 1.702 39.822 38.000 0.199 0.000 1.315 272 I HN 0.557 nan 8.210 nan 0.000 0.448 273 H N 6.629 125.713 119.070 0.025 0.000 2.481 273 H HA 0.627 5.183 4.556 0.000 0.000 0.333 273 H C -1.663 173.589 175.328 -0.126 0.000 1.066 273 H CA -0.519 55.509 56.048 -0.034 0.000 1.209 273 H CB 1.303 31.041 29.762 -0.041 0.000 1.445 273 H HN 0.351 nan 8.280 nan 0.000 0.488 274 L N 5.053 125.974 121.223 -0.504 0.000 2.376 274 L HA 0.311 4.651 4.340 0.000 0.000 0.275 274 L C -0.629 176.018 176.870 -0.371 0.000 0.987 274 L CA -0.611 54.020 54.840 -0.348 0.000 0.828 274 L CB 1.516 43.486 42.059 -0.149 0.000 1.249 274 L HN 0.748 nan 8.230 nan 0.000 0.409 275 E N 4.609 124.659 120.200 -0.251 0.000 2.374 275 E HA 0.253 4.603 4.350 0.000 0.000 0.260 275 E C -2.291 174.254 176.600 -0.093 0.000 1.101 275 E CA -1.852 54.461 56.400 -0.145 0.000 0.907 275 E CB 0.174 29.830 29.700 -0.073 0.000 1.014 275 E HN 0.315 nan 8.360 nan 0.000 0.427 276 P HA -0.061 nan 4.420 nan 0.000 0.258 276 P C 0.672 177.958 177.300 -0.023 0.000 1.172 276 P CA 1.335 64.414 63.100 -0.035 0.000 0.762 276 P CB 0.104 31.791 31.700 -0.022 0.000 0.764 277 G N 2.118 110.911 108.800 -0.012 0.000 2.234 277 G HA2 -0.156 3.804 3.960 0.000 0.000 0.235 277 G HA3 -0.156 3.804 3.960 0.000 0.000 0.235 277 G C 0.421 175.328 174.900 0.012 0.000 0.997 277 G CA 0.008 45.110 45.100 0.003 0.000 0.623 277 G HN 0.838 nan 8.290 nan 0.000 0.514 278 A N 0.607 123.426 122.820 -0.002 0.000 2.271 278 A HA 0.931 5.251 4.320 0.000 0.000 0.288 278 A C 0.329 177.943 177.584 0.050 0.000 1.094 278 A CA 0.583 52.628 52.037 0.013 0.000 0.828 278 A CB 0.431 19.409 19.000 -0.037 0.000 1.091 278 A HN 1.634 nan 8.150 nan 0.000 0.493 279 M N 0.051 119.715 119.600 0.106 0.000 2.575 279 M HA 0.585 5.065 4.480 0.000 0.000 0.284 279 M C -0.602 175.848 176.300 0.250 0.000 1.253 279 M CA -0.752 54.633 55.300 0.142 0.000 0.861 279 M CB 1.770 34.429 32.600 0.098 0.000 1.733 279 M HN 0.502 nan 8.290 nan 0.000 0.462 280 R N 2.288 122.922 120.500 0.224 0.000 2.298 280 R HA 0.278 4.618 4.340 0.000 0.000 0.310 280 R C -0.424 175.895 176.300 0.032 0.000 1.068 280 R CA -0.025 56.138 56.100 0.104 0.000 0.957 280 R CB 0.951 31.294 30.300 0.072 0.000 1.003 280 R HN 0.827 nan 8.270 nan 0.000 0.454 281 Q N 2.215 121.982 119.800 -0.054 0.000 2.479 281 Q HA -0.013 4.327 4.340 0.000 0.000 0.267 281 Q C 0.043 176.082 176.000 0.065 0.000 1.071 281 Q CA 0.178 55.976 55.803 -0.009 0.000 0.935 281 Q CB 0.510 29.215 28.738 -0.054 0.000 1.295 281 Q HN 0.433 nan 8.270 nan 0.000 0.476 282 L N 3.826 125.091 121.223 0.070 0.000 2.559 282 L HA -0.018 4.322 4.340 0.000 0.000 0.274 282 L C 0.401 177.341 176.870 0.116 0.000 1.205 282 L CA 0.381 55.270 54.840 0.082 0.000 0.907 282 L CB -0.427 41.680 42.059 0.080 0.000 1.153 282 L HN 0.646 nan 8.230 nan 0.000 0.490 283 H N 1.815 120.775 119.070 -0.182 0.000 2.960 283 H HA 0.522 5.078 4.556 0.000 0.000 0.323 283 H C -1.591 173.658 175.328 -0.130 0.000 1.326 283 H CA -1.265 54.635 56.048 -0.247 0.000 1.124 283 H CB 1.152 30.657 29.762 -0.428 0.000 1.853 283 H HN 0.613 nan 8.280 nan 0.000 0.536 284 W N 0.240 121.346 121.300 -0.323 0.000 3.083 284 W HA 0.588 5.248 4.660 0.000 0.000 0.333 284 W C -1.824 174.504 176.519 -0.318 0.000 1.217 284 W CA -0.957 56.226 57.345 -0.270 0.000 1.170 284 W CB 1.031 30.439 29.460 -0.088 0.000 1.437 284 W HN 0.513 nan 8.180 nan 0.000 0.557 285 H N 1.875 121.084 119.070 0.232 0.000 2.541 285 H HA 0.231 4.787 4.556 0.000 0.000 0.316 285 H C -1.919 173.492 175.328 0.138 0.000 1.043 285 H CA -1.870 54.184 56.048 0.010 0.000 1.232 285 H CB 1.697 31.474 29.762 0.024 0.000 1.406 285 H HN 0.153 nan 8.280 nan 0.000 0.469 286 P HA -0.142 nan 4.420 nan 0.000 0.218 286 P C 1.032 178.386 177.300 0.090 0.000 1.149 286 P CA 1.226 64.435 63.100 0.181 0.000 0.817 286 P CB 0.437 32.179 31.700 0.071 0.000 0.785 287 N N -1.670 117.048 118.700 0.029 0.000 2.177 287 N HA 0.310 5.050 4.740 0.000 0.000 0.218 287 N C -0.219 175.289 175.510 -0.004 0.000 1.182 287 N CA -0.333 52.716 53.050 -0.003 0.000 0.882 287 N CB 0.603 39.062 38.487 -0.046 0.000 1.052 287 N HN -0.065 nan 8.380 nan 0.000 0.519 288 A N -0.188 122.646 122.820 0.024 0.000 2.574 288 A HA 0.488 4.808 4.320 0.000 0.000 0.297 288 A C -1.510 176.092 177.584 0.030 0.000 1.062 288 A CA -0.803 51.250 52.037 0.026 0.000 0.686 288 A CB 1.295 20.310 19.000 0.025 0.000 1.285 288 A HN 0.136 nan 8.150 nan 0.000 0.403 289 D N 0.735 121.117 120.400 -0.030 0.000 2.329 289 D HA 0.342 4.982 4.640 0.000 0.000 0.246 289 D C -0.443 175.719 176.300 -0.231 0.000 1.111 289 D CA 0.135 54.019 54.000 -0.194 0.000 0.941 289 D CB 1.585 42.261 40.800 -0.207 0.000 1.169 289 D HN 0.619 nan 8.370 nan 0.000 0.441 290 E N 0.597 120.517 120.200 -0.466 0.000 2.199 290 E HA 0.272 4.622 4.350 0.000 0.000 0.265 290 E C -1.713 174.641 176.600 -0.411 0.000 0.882 290 E CA -0.837 55.252 56.400 -0.518 0.000 0.759 290 E CB 1.458 30.914 29.700 -0.406 0.000 1.148 290 E HN 0.417 nan 8.360 nan 0.000 0.412 291 W N 4.383 125.429 121.300 -0.424 0.000 2.478 291 W HA 0.331 4.991 4.660 0.000 0.000 0.318 291 W C -1.012 175.419 176.519 -0.147 0.000 1.062 291 W CA -0.243 57.021 57.345 -0.135 0.000 1.210 291 W CB 1.300 30.744 29.460 -0.027 0.000 1.325 291 W HN 0.481 nan 8.180 nan 0.000 0.496 292 Q N 4.881 124.343 119.800 -0.563 0.000 2.397 292 Q HA 0.410 4.750 4.340 0.000 0.000 0.275 292 Q C -1.911 173.695 176.000 -0.656 0.000 1.090 292 Q CA -1.163 54.390 55.803 -0.417 0.000 0.809 292 Q CB 3.324 31.921 28.738 -0.235 0.000 1.362 292 Q HN 0.573 nan 8.270 nan 0.000 0.431 293 Y N 0.316 120.382 120.300 -0.389 0.000 2.457 293 Y HA 0.461 5.011 4.550 0.000 0.000 0.343 293 Y C -1.339 174.532 175.900 -0.047 0.000 0.994 293 Y CA -1.023 56.938 58.100 -0.231 0.000 1.031 293 Y CB 1.498 39.974 38.460 0.026 0.000 1.246 293 Y HN 0.455 nan 8.280 nan 0.000 0.449 294 V N 8.332 128.027 119.914 -0.365 0.000 2.389 294 V HA 0.069 4.190 4.120 0.000 0.000 0.264 294 V C 0.883 176.952 176.094 -0.041 0.000 1.049 294 V CA 0.168 62.371 62.300 -0.161 0.000 0.932 294 V CB 0.607 32.319 31.823 -0.184 0.000 1.011 294 V HN 0.950 nan 8.190 nan 0.000 0.475 295 L N 3.455 124.792 121.223 0.190 0.000 2.072 295 L HA 0.089 4.429 4.340 0.000 0.000 0.205 295 L C 0.469 177.447 176.870 0.181 0.000 1.079 295 L CA 1.107 56.127 54.840 0.300 0.000 0.752 295 L CB -0.037 42.189 42.059 0.277 0.000 0.906 295 L HN 0.925 nan 8.230 nan 0.000 0.436 296 D N -3.060 117.403 120.400 0.105 0.000 2.663 296 D HA 0.540 5.180 4.640 0.000 0.000 0.233 296 D C -0.190 176.127 176.300 0.029 0.000 1.240 296 D CA 0.099 54.140 54.000 0.068 0.000 0.774 296 D CB 1.184 42.037 40.800 0.089 0.000 1.443 296 D HN 0.143 nan 8.370 nan 0.000 0.441 297 G N 0.025 108.832 108.800 0.011 0.000 2.512 297 G HA2 0.107 4.067 3.960 0.000 0.000 0.210 297 G HA3 0.107 4.067 3.960 0.000 0.000 0.210 297 G C -1.246 173.643 174.900 -0.018 0.000 1.295 297 G CA -0.474 44.622 45.100 -0.007 0.000 0.934 297 G HN 0.769 nan 8.290 nan 0.000 0.554 298 E N -0.113 120.075 120.200 -0.019 0.000 2.281 298 E HA 0.467 4.817 4.350 0.000 0.000 0.266 298 E C -0.296 176.299 176.600 -0.008 0.000 0.893 298 E CA -0.508 55.883 56.400 -0.016 0.000 0.798 298 E CB 1.477 31.173 29.700 -0.007 0.000 1.245 298 E HN 0.591 nan 8.360 nan 0.000 0.410 299 M N 2.670 122.263 119.600 -0.011 0.000 2.478 299 M HA 0.331 4.811 4.480 0.000 0.000 0.327 299 M C -1.163 175.147 176.300 0.017 0.000 1.187 299 M CA -0.343 54.956 55.300 -0.002 0.000 1.022 299 M CB 1.179 33.768 32.600 -0.018 0.000 1.629 299 M HN 0.276 nan 8.290 nan 0.000 0.461 300 D N 4.203 124.620 120.400 0.027 0.000 2.408 300 D HA 0.417 5.057 4.640 0.000 0.000 0.243 300 D C -1.531 174.743 176.300 -0.043 0.000 1.075 300 D CA -0.272 53.736 54.000 0.014 0.000 0.832 300 D CB 2.188 43.042 40.800 0.090 0.000 1.162 300 D HN 0.407 nan 8.370 nan 0.000 0.515 301 L N 2.025 123.187 121.223 -0.102 0.000 2.333 301 L HA 0.428 4.768 4.340 0.000 0.000 0.280 301 L C -0.502 176.254 176.870 -0.189 0.000 1.004 301 L CA -0.138 54.649 54.840 -0.089 0.000 0.820 301 L CB 2.088 44.126 42.059 -0.034 0.000 1.247 301 L HN 0.171 nan 8.230 nan 0.000 0.416 302 T N 4.186 118.648 114.554 -0.153 0.000 2.823 302 T HA 0.777 5.127 4.350 0.000 0.000 0.279 302 T C -1.250 173.420 174.700 -0.049 0.000 0.998 302 T CA -0.368 61.629 62.100 -0.172 0.000 0.994 302 T CB 0.942 69.693 68.868 -0.195 0.000 0.960 302 T HN 0.408 nan 8.240 nan 0.000 0.448 303 V N 5.453 125.334 119.914 -0.057 0.000 2.638 303 V HA 0.615 4.735 4.120 0.000 0.000 0.306 303 V C -1.065 175.039 176.094 0.017 0.000 1.052 303 V CA -0.993 61.227 62.300 -0.135 0.000 0.885 303 V CB 1.719 33.133 31.823 -0.682 0.000 0.999 303 V HN 0.869 nan 8.190 nan 0.000 0.424 304 F N 4.064 123.955 119.950 -0.098 0.000 2.449 304 F HA 0.783 5.310 4.527 0.000 0.000 0.342 304 F C 0.343 175.974 175.800 -0.282 0.000 1.127 304 F CA -0.460 57.482 58.000 -0.097 0.000 0.975 304 F CB 1.969 40.946 39.000 -0.038 0.000 1.146 304 F HN 0.508 nan 8.300 nan 0.000 0.444 305 A N 4.066 126.211 122.820 -1.125 0.000 2.545 305 A HA 0.579 4.899 4.320 0.000 0.000 0.263 305 A C 0.352 177.293 177.584 -1.071 0.000 1.202 305 A CA 0.458 51.772 52.037 -1.205 0.000 0.959 305 A CB -0.564 18.055 19.000 -0.633 0.000 1.124 305 A HN 1.573 nan 8.150 nan 0.000 0.543 306 S N -0.068 114.888 115.700 -1.239 0.000 3.052 306 S HA -0.056 4.414 4.470 0.000 0.000 0.831 306 S C -0.249 174.133 174.600 -0.363 0.000 0.941 306 S CA 0.577 58.368 58.200 -0.681 0.000 1.352 306 S CB -1.334 61.554 63.200 -0.520 0.000 0.958 306 S HN 1.374 nan 8.310 nan 0.000 0.243 307 E N 0.915 121.015 120.200 -0.167 0.000 2.320 307 E HA -0.130 4.220 4.350 0.000 0.000 0.234 307 E C 0.804 177.376 176.600 -0.045 0.000 1.183 307 E CA 1.367 57.716 56.400 -0.084 0.000 0.713 307 E CB -2.140 27.504 29.700 -0.093 0.000 1.226 307 E HN 2.361 nan 8.360 nan 0.000 0.382 308 G N 0.528 109.342 108.800 0.023 0.000 2.283 308 G HA2 -0.382 3.578 3.960 0.000 0.000 0.280 308 G HA3 -0.382 3.578 3.960 0.000 0.000 0.280 308 G C -0.078 174.830 174.900 0.014 0.000 1.029 308 G CA 1.130 46.258 45.100 0.048 0.000 0.840 308 G HN 0.298 nan 8.290 nan 0.000 0.505 309 K N -0.281 120.108 120.400 -0.019 0.000 2.376 309 K HA 0.788 5.108 4.320 0.000 0.000 0.257 309 K C -0.039 176.585 176.600 0.039 0.000 0.939 309 K CA -0.012 56.269 56.287 -0.011 0.000 0.809 309 K CB 2.286 34.764 32.500 -0.038 0.000 1.121 309 K HN 0.732 nan 8.250 nan 0.000 0.425 310 A N 1.523 124.432 122.820 0.149 0.000 2.606 310 A HA 0.754 5.074 4.320 0.000 0.000 0.293 310 A C -1.182 176.689 177.584 0.478 0.000 1.082 310 A CA -0.689 51.531 52.037 0.305 0.000 0.685 310 A CB 1.871 21.129 19.000 0.430 0.000 1.284 310 A HN 0.497 nan 8.150 nan 0.000 0.408 311 S N -1.048 114.945 115.700 0.488 0.000 2.634 311 S HA 0.851 5.322 4.470 0.000 0.000 0.296 311 S C -1.179 173.460 174.600 0.065 0.000 1.104 311 S CA -0.493 57.971 58.200 0.439 0.000 0.920 311 S CB 1.854 65.345 63.200 0.484 0.000 1.111 311 S HN 1.816 nan 8.310 nan 0.000 0.493 312 V N 1.649 121.372 119.914 -0.318 0.000 3.120 312 V HA 0.935 5.055 4.120 0.000 0.000 0.303 312 V C -1.478 174.210 176.094 -0.678 0.000 1.238 312 V CA 0.005 61.822 62.300 -0.805 0.000 1.008 312 V CB 1.918 32.681 31.823 -1.766 0.000 1.064 312 V HN 1.261 nan 8.190 nan 0.000 0.434 313 S N 4.912 120.270 115.700 -0.570 0.000 2.627 313 S HA 0.664 5.135 4.470 0.000 0.000 0.268 313 S C -1.272 173.267 174.600 -0.102 0.000 1.130 313 S CA -1.062 56.978 58.200 -0.266 0.000 0.819 313 S CB 1.635 64.789 63.200 -0.076 0.000 1.100 313 S HN 0.952 nan 8.310 nan 0.000 0.465 314 R N -0.232 120.297 120.500 0.048 0.000 2.474 314 R HA 0.791 5.131 4.340 0.000 0.000 0.295 314 R C -1.473 174.831 176.300 0.006 0.000 0.980 314 R CA -0.576 55.563 56.100 0.066 0.000 0.934 314 R CB 1.002 31.378 30.300 0.126 0.000 1.101 314 R HN 0.577 nan 8.270 nan 0.000 0.469 315 L N 2.815 124.028 121.223 -0.017 0.000 2.346 315 L HA 0.386 4.726 4.340 0.000 0.000 0.276 315 L C -0.318 176.516 176.870 -0.060 0.000 1.006 315 L CA -0.727 54.080 54.840 -0.056 0.000 0.817 315 L CB 1.702 43.711 42.059 -0.083 0.000 1.272 315 L HN 0.421 nan 8.230 nan 0.000 0.421 316 Q N 1.204 120.958 119.800 -0.076 0.000 2.249 316 Q HA 0.256 4.597 4.340 0.000 0.000 0.226 316 Q C -0.313 175.624 176.000 -0.106 0.000 0.983 316 Q CA -0.640 55.119 55.803 -0.073 0.000 0.930 316 Q CB 0.707 29.404 28.738 -0.068 0.000 1.193 316 Q HN 0.606 nan 8.270 nan 0.000 0.508 317 Q N -0.336 119.413 119.800 -0.084 0.000 2.304 317 Q HA 0.170 4.510 4.340 0.000 0.000 0.301 317 Q C 0.394 176.297 176.000 -0.161 0.000 1.063 317 Q CA 1.175 56.919 55.803 -0.098 0.000 0.947 317 Q CB -0.090 28.628 28.738 -0.033 0.000 1.201 317 Q HN 0.834 nan 8.270 nan 0.000 0.389 318 G N 3.105 111.716 108.800 -0.315 0.000 2.176 318 G HA2 -0.205 3.755 3.960 0.000 0.000 0.253 318 G HA3 -0.205 3.755 3.960 0.000 0.000 0.253 318 G C -0.403 174.281 174.900 -0.361 0.000 0.979 318 G CA 0.176 45.043 45.100 -0.387 0.000 0.641 318 G HN 0.722 nan 8.290 nan 0.000 0.530 319 D N -0.453 119.751 120.400 -0.326 0.000 2.340 319 D HA 0.643 5.283 4.640 0.000 0.000 0.251 319 D C 0.251 176.387 176.300 -0.275 0.000 1.080 319 D CA -0.178 53.709 54.000 -0.188 0.000 0.971 319 D CB 1.945 42.651 40.800 -0.157 0.000 1.137 319 D HN 0.138 nan 8.370 nan 0.000 0.475 320 V N 0.014 119.799 119.914 -0.215 0.000 2.604 320 V HA 0.709 4.829 4.120 0.000 0.000 0.305 320 V C 0.460 176.370 176.094 -0.306 0.000 1.043 320 V CA -0.698 61.381 62.300 -0.368 0.000 0.888 320 V CB 2.002 33.570 31.823 -0.424 0.000 0.995 320 V HN 0.608 nan 8.190 nan 0.000 0.429 321 G N 2.225 110.841 108.800 -0.307 0.000 2.448 321 G HA2 0.640 4.600 3.960 0.000 0.000 0.324 321 G HA3 0.640 4.600 3.960 0.000 0.000 0.324 321 G C -2.072 172.844 174.900 0.026 0.000 1.203 321 G CA -0.507 44.558 45.100 -0.059 0.000 0.954 321 G HN 0.612 nan 8.290 nan 0.000 0.480 322 Y N 1.610 121.984 120.300 0.124 0.000 2.361 322 Y HA 0.517 5.067 4.550 0.000 0.000 0.328 322 Y C -1.104 174.797 175.900 0.002 0.000 1.044 322 Y CA -0.815 57.315 58.100 0.050 0.000 1.085 322 Y CB 2.149 40.643 38.460 0.057 0.000 1.194 322 Y HN 0.429 nan 8.280 nan 0.000 0.438 323 V N 8.734 128.285 119.914 -0.605 0.000 2.334 323 V HA 0.411 4.531 4.120 0.000 0.000 0.281 323 V C -2.312 173.311 176.094 -0.785 0.000 1.016 323 V CA -2.136 59.804 62.300 -0.600 0.000 0.832 323 V CB 1.153 32.577 31.823 -0.666 0.000 0.999 323 V HN 0.661 nan 8.190 nan 0.000 0.439 324 P HA 0.067 nan 4.420 nan 0.000 0.269 324 P C -0.104 176.894 177.300 -0.503 0.000 1.209 324 P CA -0.360 62.375 63.100 -0.608 0.000 0.776 324 P CB 0.535 31.769 31.700 -0.777 0.000 0.876 325 K N 1.935 122.190 120.400 -0.242 0.000 2.550 325 K HA -0.006 4.314 4.320 0.000 0.000 0.280 325 K C 1.236 177.868 176.600 0.053 0.000 0.987 325 K CA 1.403 57.661 56.287 -0.048 0.000 1.048 325 K CB -0.778 31.721 32.500 -0.002 0.000 0.879 325 K HN 0.805 nan 8.250 nan 0.000 0.491 326 G N 3.118 112.027 108.800 0.181 0.000 2.234 326 G HA2 -0.310 3.650 3.960 0.000 0.000 0.260 326 G HA3 -0.310 3.650 3.960 0.000 0.000 0.260 326 G C -0.027 175.003 174.900 0.217 0.000 0.987 326 G CA 0.308 45.529 45.100 0.202 0.000 0.625 326 G HN 0.703 nan 8.290 nan 0.000 0.532 327 Y N 1.442 121.719 120.300 -0.039 0.000 2.425 327 Y HA 0.396 4.946 4.550 0.000 0.000 0.331 327 Y C 1.581 177.539 175.900 0.097 0.000 1.157 327 Y CA -0.468 57.585 58.100 -0.078 0.000 1.372 327 Y CB 0.949 39.296 38.460 -0.189 0.000 1.253 327 Y HN 0.255 nan 8.280 nan 0.000 0.536 328 G N 3.624 112.584 108.800 0.266 0.000 2.406 328 G HA2 0.329 4.289 3.960 0.000 0.000 0.251 328 G HA3 0.329 4.289 3.960 0.000 0.000 0.251 328 G C -0.771 174.315 174.900 0.309 0.000 1.271 328 G CA -0.159 45.146 45.100 0.342 0.000 0.859 328 G HN 0.813 nan 8.290 nan 0.000 0.540 329 H N -0.677 118.359 119.070 -0.057 0.000 2.981 329 H HA 0.795 5.351 4.556 0.000 0.000 0.327 329 H C -0.936 174.339 175.328 -0.089 0.000 1.342 329 H CA -0.774 55.214 56.048 -0.100 0.000 1.123 329 H CB 1.370 31.044 29.762 -0.148 0.000 1.851 329 H HN 1.094 nan 8.280 nan 0.000 0.531 330 A N 1.316 124.131 122.820 -0.010 0.000 2.604 330 A HA 0.552 4.872 4.320 0.000 0.000 0.295 330 A C -1.284 176.343 177.584 0.071 0.000 1.067 330 A CA -0.475 51.578 52.037 0.028 0.000 0.683 330 A CB 1.640 20.660 19.000 0.035 0.000 1.281 330 A HN 0.959 nan 8.150 nan 0.000 0.407 331 I N -0.145 120.487 120.570 0.103 0.000 2.545 331 I HA 0.874 5.044 4.170 0.000 0.000 0.292 331 I C -0.766 175.399 176.117 0.080 0.000 1.040 331 I CA -0.705 60.645 61.300 0.083 0.000 1.068 331 I CB 1.952 40.016 38.000 0.106 0.000 1.251 331 I HN 0.842 nan 8.210 nan 0.000 0.424 332 R N 4.272 124.805 120.500 0.056 0.000 2.686 332 R HA 0.375 4.715 4.340 0.000 0.000 0.286 332 R C -1.180 175.151 176.300 0.051 0.000 0.969 332 R CA -0.707 55.431 56.100 0.063 0.000 0.898 332 R CB 1.520 31.863 30.300 0.071 0.000 1.183 332 R HN 0.786 nan 8.270 nan 0.000 0.456 333 N N 1.639 120.359 118.700 0.033 0.000 2.469 333 N HA 0.091 4.831 4.740 0.000 0.000 0.239 333 N C -0.939 174.585 175.510 0.022 0.000 1.053 333 N CA 0.004 53.061 53.050 0.012 0.000 0.937 333 N CB 1.208 39.677 38.487 -0.030 0.000 1.163 333 N HN 0.513 nan 8.380 nan 0.000 0.509 334 S N 0.572 116.296 115.700 0.039 0.000 2.622 334 S HA 0.067 4.537 4.470 0.000 0.000 0.236 334 S C 0.684 175.289 174.600 0.007 0.000 0.956 334 S CA -0.569 57.652 58.200 0.036 0.000 0.971 334 S CB -0.246 62.996 63.200 0.070 0.000 0.782 334 S HN 0.711 nan 8.310 nan 0.000 0.468 335 S N 0.357 116.056 115.700 -0.001 0.000 2.768 335 S HA 0.493 4.963 4.470 0.000 0.000 0.300 335 S C 0.457 175.049 174.600 -0.014 0.000 1.122 335 S CA -0.501 57.693 58.200 -0.010 0.000 0.995 335 S CB 1.015 64.209 63.200 -0.011 0.000 1.195 335 S HN -0.020 nan 8.310 nan 0.000 0.547 336 Q N 0.079 119.871 119.800 -0.014 0.000 2.356 336 Q HA 0.393 4.733 4.340 0.000 0.000 0.205 336 Q C -0.278 175.715 176.000 -0.011 0.000 0.901 336 Q CA 0.706 56.502 55.803 -0.012 0.000 0.938 336 Q CB 0.134 28.865 28.738 -0.011 0.000 1.081 336 Q HN 0.617 nan 8.270 nan 0.000 0.517 337 K N -0.425 119.967 120.400 -0.013 0.000 2.316 337 K HA 0.557 4.877 4.320 0.000 0.000 0.234 337 K C -2.592 173.990 176.600 -0.029 0.000 1.054 337 K CA -2.118 54.163 56.287 -0.010 0.000 0.879 337 K CB 0.849 33.348 32.500 -0.002 0.000 1.252 337 K HN -0.212 nan 8.250 nan 0.000 0.471 338 P HA 0.268 nan 4.420 nan 0.000 0.276 338 P C -1.302 175.932 177.300 -0.109 0.000 1.261 338 P CA -0.627 62.415 63.100 -0.097 0.000 0.800 338 P CB 0.499 32.186 31.700 -0.021 0.000 1.066 339 L N 0.333 121.424 121.223 -0.219 0.000 2.431 339 L HA 0.612 4.952 4.340 0.000 0.000 0.266 339 L C -1.758 175.030 176.870 -0.137 0.000 0.978 339 L CA -0.100 54.661 54.840 -0.131 0.000 0.822 339 L CB 2.016 44.014 42.059 -0.103 0.000 1.310 339 L HN 0.192 nan 8.230 nan 0.000 0.409 340 D N 6.328 126.723 120.400 -0.008 0.000 2.788 340 D HA 0.517 5.157 4.640 0.000 0.000 0.247 340 D C -0.955 175.390 176.300 0.075 0.000 1.236 340 D CA 0.001 54.040 54.000 0.065 0.000 0.898 340 D CB 2.437 43.324 40.800 0.146 0.000 1.401 340 D HN 0.698 nan 8.370 nan 0.000 0.549 341 I N -0.911 119.701 120.570 0.071 0.000 2.689 341 I HA 0.630 4.800 4.170 0.000 0.000 0.299 341 I C -0.959 175.194 176.117 0.059 0.000 1.059 341 I CA -1.006 60.340 61.300 0.077 0.000 1.055 341 I CB 2.279 40.307 38.000 0.047 0.000 1.243 341 I HN 0.044 nan 8.210 nan 0.000 0.425 342 V N 6.262 126.220 119.914 0.073 0.000 2.532 342 V HA 0.737 4.857 4.120 0.000 0.000 0.295 342 V C -0.344 175.784 176.094 0.057 0.000 1.041 342 V CA -0.223 62.084 62.300 0.012 0.000 0.926 342 V CB 1.773 33.551 31.823 -0.074 0.000 0.992 342 V HN 0.715 nan 8.190 nan 0.000 0.457 343 V N 4.686 124.590 119.914 -0.017 0.000 2.789 343 V HA 0.870 4.991 4.120 0.000 0.000 0.311 343 V C -0.917 174.974 176.094 -0.338 0.000 1.073 343 V CA -0.573 61.647 62.300 -0.134 0.000 0.921 343 V CB 1.662 33.370 31.823 -0.192 0.000 1.009 343 V HN 0.669 nan 8.190 nan 0.000 0.426 344 V N 3.727 123.375 119.914 -0.444 0.000 2.735 344 V HA 0.679 4.799 4.120 0.000 0.000 0.310 344 V C -0.941 174.709 176.094 -0.740 0.000 1.061 344 V CA -0.330 61.582 62.300 -0.647 0.000 0.913 344 V CB 1.852 33.310 31.823 -0.609 0.000 1.005 344 V HN 0.827 nan 8.190 nan 0.000 0.428 345 F N 2.296 122.042 119.950 -0.341 0.000 2.520 345 F HA 0.441 4.968 4.527 0.000 0.000 0.322 345 F C 0.737 176.387 175.800 -0.251 0.000 1.103 345 F CA -0.965 56.882 58.000 -0.255 0.000 0.926 345 F CB 1.795 40.658 39.000 -0.227 0.000 1.154 345 F HN 0.607 nan 8.300 nan 0.000 0.453 346 N N 0.641 119.336 118.700 -0.008 0.000 2.484 346 N HA 0.077 4.817 4.740 0.000 0.000 0.245 346 N C -1.119 174.362 175.510 -0.047 0.000 1.184 346 N CA 0.045 53.064 53.050 -0.051 0.000 0.884 346 N CB -0.153 38.318 38.487 -0.027 0.000 1.182 346 N HN 0.492 nan 8.380 nan 0.000 0.493 347 D N -1.632 118.738 120.400 -0.050 0.000 2.753 347 D HA 0.388 5.028 4.640 0.000 0.000 0.224 347 D C 0.634 176.870 176.300 -0.108 0.000 1.213 347 D CA -0.683 53.270 54.000 -0.078 0.000 0.833 347 D CB 1.779 42.539 40.800 -0.066 0.000 1.607 347 D HN 0.089 nan 8.370 nan 0.000 0.463 348 G N 1.334 110.057 108.800 -0.127 0.000 2.650 348 G HA2 -0.034 3.926 3.960 0.000 0.000 0.214 348 G HA3 -0.034 3.926 3.960 0.000 0.000 0.214 348 G C 0.378 175.230 174.900 -0.079 0.000 1.136 348 G CA 0.173 45.194 45.100 -0.133 0.000 0.789 348 G HN 0.394 nan 8.290 nan 0.000 0.536 349 D N -0.670 119.688 120.400 -0.069 0.000 2.392 349 D HA 0.252 4.892 4.640 0.000 0.000 0.228 349 D C -1.035 175.211 176.300 -0.091 0.000 1.074 349 D CA -1.046 52.919 54.000 -0.058 0.000 0.838 349 D CB 0.512 41.279 40.800 -0.054 0.000 1.067 349 D HN 0.081 nan 8.370 nan 0.000 0.511 350 Y N 3.528 123.704 120.300 -0.207 0.000 2.436 350 Y HA 0.275 4.825 4.550 0.000 0.000 0.336 350 Y C -0.583 175.169 175.900 -0.246 0.000 1.049 350 Y CA 0.192 58.102 58.100 -0.317 0.000 1.294 350 Y CB 0.375 38.649 38.460 -0.310 0.000 1.179 350 Y HN 0.321 nan 8.280 nan 0.000 0.520 351 Q N 4.772 124.054 119.800 -0.863 0.000 2.304 351 Q HA 0.477 4.817 4.340 0.000 0.000 0.270 351 Q C -1.311 174.259 176.000 -0.717 0.000 1.035 351 Q CA -0.969 54.435 55.803 -0.663 0.000 0.781 351 Q CB 2.211 30.744 28.738 -0.341 0.000 1.261 351 Q HN 0.657 nan 8.270 nan 0.000 0.444 352 S N 3.167 118.467 115.700 -0.667 0.000 2.548 352 S HA 0.666 5.136 4.470 0.000 0.000 0.276 352 S C -1.281 172.991 174.600 -0.547 0.000 1.129 352 S CA -0.524 57.353 58.200 -0.539 0.000 0.931 352 S CB 0.848 63.787 63.200 -0.436 0.000 1.068 352 S HN 0.581 nan 8.310 nan 0.000 0.480 353 I N 3.801 123.893 120.570 -0.796 0.000 2.382 353 I HA 0.362 4.532 4.170 0.000 0.000 0.286 353 I C -0.841 174.868 176.117 -0.681 0.000 1.002 353 I CA -0.685 60.104 61.300 -0.852 0.000 1.135 353 I CB 1.671 38.865 38.000 -1.343 0.000 1.288 353 I HN 0.556 nan 8.210 nan 0.000 0.448 354 D N 4.914 125.115 120.400 -0.331 0.000 2.255 354 D HA 0.115 4.756 4.640 0.000 0.000 0.249 354 D C 0.923 177.236 176.300 0.022 0.000 1.078 354 D CA -0.415 53.505 54.000 -0.134 0.000 0.896 354 D CB 1.937 42.668 40.800 -0.115 0.000 1.194 354 D HN 0.352 nan 8.370 nan 0.000 0.429 355 L N 2.970 124.274 121.223 0.135 0.000 2.043 355 L HA -0.271 4.069 4.340 0.000 0.000 0.212 355 L C 2.044 179.036 176.870 0.204 0.000 1.075 355 L CA 2.226 57.235 54.840 0.281 0.000 0.752 355 L CB -0.737 41.455 42.059 0.221 0.000 0.891 355 L HN 0.499 nan 8.230 nan 0.000 0.432 356 S N -2.184 113.574 115.700 0.096 0.000 2.348 356 S HA -0.214 4.256 4.470 0.000 0.000 0.221 356 S C 1.896 176.538 174.600 0.070 0.000 1.033 356 S CA 1.582 59.817 58.200 0.057 0.000 1.010 356 S CB -1.474 61.736 63.200 0.016 0.000 0.891 356 S HN 0.556 nan 8.310 nan 0.000 0.442 357 T N 0.564 115.149 114.554 0.052 0.000 2.737 357 T HA -0.152 4.199 4.350 0.000 0.000 0.269 357 T C 1.213 176.008 174.700 0.159 0.000 1.040 357 T CA 1.587 63.720 62.100 0.055 0.000 1.142 357 T CB -0.542 68.318 68.868 -0.012 0.000 0.861 357 T HN 0.642 nan 8.240 nan 0.000 0.456 358 W N 1.813 123.102 121.300 -0.018 0.000 2.408 358 W HA 0.135 4.795 4.660 0.000 0.000 0.311 358 W C 1.816 178.375 176.519 0.066 0.000 1.190 358 W CA 0.282 57.648 57.345 0.036 0.000 1.321 358 W CB -0.905 28.614 29.460 0.098 0.000 1.143 358 W HN 0.174 nan 8.180 nan 0.000 0.501 359 L N 0.767 122.035 121.223 0.075 0.000 2.131 359 L HA -0.162 4.178 4.340 0.000 0.000 0.210 359 L C 2.558 179.424 176.870 -0.008 0.000 1.092 359 L CA 1.294 56.101 54.840 -0.055 0.000 0.759 359 L CB -1.433 40.612 42.059 -0.023 0.000 0.903 359 L HN 0.023 nan 8.230 nan 0.000 0.435 360 A N 0.250 123.090 122.820 0.035 0.000 1.969 360 A HA -0.177 4.143 4.320 0.000 0.000 0.218 360 A C 2.449 180.054 177.584 0.034 0.000 1.169 360 A CA 1.772 53.825 52.037 0.027 0.000 0.635 360 A CB -0.501 18.517 19.000 0.030 0.000 0.810 360 A HN 0.507 nan 8.150 nan 0.000 0.445 361 S N -0.437 115.303 115.700 0.066 0.000 2.603 361 S HA 0.077 4.547 4.470 0.000 0.000 0.220 361 S C 0.475 175.108 174.600 0.055 0.000 0.967 361 S CA -0.404 57.840 58.200 0.074 0.000 0.920 361 S CB -0.364 62.910 63.200 0.124 0.000 0.773 361 S HN 0.518 nan 8.310 nan 0.000 0.529 362 N N 2.948 121.659 118.700 0.019 0.000 2.466 362 N HA 0.433 5.173 4.740 0.000 0.000 0.294 362 N C -2.861 172.648 175.510 -0.002 0.000 1.129 362 N CA -1.348 51.701 53.050 -0.001 0.000 0.931 362 N CB 1.304 39.758 38.487 -0.056 0.000 1.193 362 N HN 0.250 nan 8.380 nan 0.000 0.500 363 P HA 0.178 nan 4.420 nan 0.000 0.276 363 P C 0.299 177.597 177.300 -0.003 0.000 1.244 363 P CA -0.206 62.894 63.100 0.001 0.000 0.801 363 P CB 0.916 32.618 31.700 0.003 0.000 1.006 364 S N 1.075 116.774 115.700 -0.001 0.000 2.353 364 S HA -0.185 4.285 4.470 0.000 0.000 0.222 364 S C 2.069 176.671 174.600 0.004 0.000 1.035 364 S CA 2.141 60.342 58.200 0.001 0.000 1.025 364 S CB -1.125 62.075 63.200 -0.000 0.000 0.902 364 S HN 0.780 nan 8.310 nan 0.000 0.440 365 S N 1.791 117.491 115.700 -0.000 0.000 2.372 365 S HA -0.149 4.321 4.470 0.000 0.000 0.227 365 S C 1.894 176.488 174.600 -0.009 0.000 1.044 365 S CA 1.585 59.784 58.200 -0.003 0.000 1.050 365 S CB -1.042 62.155 63.200 -0.004 0.000 0.901 365 S HN 0.295 nan 8.310 nan 0.000 0.447 366 V N 2.345 122.250 119.914 -0.016 0.000 2.295 366 V HA -0.134 3.986 4.120 0.000 0.000 0.246 366 V C 2.619 178.686 176.094 -0.044 0.000 1.049 366 V CA 1.975 64.253 62.300 -0.037 0.000 1.024 366 V CB -0.938 30.860 31.823 -0.042 0.000 0.648 366 V HN 0.451 nan 8.190 nan 0.000 0.447 367 L N 0.379 121.600 121.223 -0.003 0.000 1.994 367 L HA -0.062 4.278 4.340 0.000 0.000 0.208 367 L C 2.735 179.694 176.870 0.149 0.000 1.071 367 L CA 1.908 56.803 54.840 0.091 0.000 0.745 367 L CB -1.362 40.761 42.059 0.107 0.000 0.892 367 L HN 0.440 nan 8.230 nan 0.000 0.431 368 G N -0.114 108.733 108.800 0.078 0.000 2.476 368 G HA2 -0.358 3.602 3.960 0.000 0.000 0.218 368 G HA3 -0.358 3.602 3.960 0.000 0.000 0.218 368 G C 1.468 176.396 174.900 0.047 0.000 1.164 368 G CA 1.178 46.319 45.100 0.068 0.000 0.768 368 G HN 0.316 nan 8.290 nan 0.000 0.560 369 N N 0.085 118.787 118.700 0.004 0.000 2.188 369 N HA -0.066 4.674 4.740 0.000 0.000 0.184 369 N C 2.313 177.782 175.510 -0.069 0.000 1.018 369 N CA 1.663 54.697 53.050 -0.026 0.000 0.858 369 N CB -0.526 37.940 38.487 -0.035 0.000 0.989 369 N HN 0.224 nan 8.380 nan 0.000 0.426 370 T N -0.476 113.998 114.554 -0.133 0.000 2.737 370 T HA -0.028 4.322 4.350 0.000 0.000 0.265 370 T C 1.220 175.715 174.700 -0.342 0.000 1.038 370 T CA 1.038 62.955 62.100 -0.304 0.000 1.144 370 T CB -0.268 68.280 68.868 -0.533 0.000 0.866 370 T HN 0.187 nan 8.240 nan 0.000 0.434 371 F N 1.149 121.055 119.950 -0.074 0.000 2.789 371 F HA 0.248 4.775 4.527 0.000 0.000 0.300 371 F C 1.004 176.775 175.800 -0.048 0.000 1.132 371 F CA -0.147 57.814 58.000 -0.065 0.000 1.404 371 F CB -0.453 38.505 39.000 -0.071 0.000 1.114 371 F HN 0.097 nan 8.300 nan 0.000 0.584 372 Q N 1.097 120.953 119.800 0.093 0.000 2.459 372 Q HA -0.201 4.139 4.340 0.000 0.000 0.322 372 Q C -0.592 175.440 176.000 0.055 0.000 1.427 372 Q CA 0.636 56.469 55.803 0.049 0.000 0.861 372 Q CB -2.307 26.445 28.738 0.024 0.000 1.137 372 Q HN 0.646 nan 8.270 nan 0.000 0.394 373 I N -3.854 116.751 120.570 0.057 0.000 3.095 373 I HA 0.682 4.852 4.170 0.000 0.000 0.310 373 I C 0.448 176.575 176.117 0.017 0.000 1.196 373 I CA -1.138 60.182 61.300 0.033 0.000 0.985 373 I CB 1.916 39.933 38.000 0.028 0.000 1.250 373 I HN 0.097 nan 8.210 nan 0.000 0.446 374 S N 1.657 117.359 115.700 0.003 0.000 2.573 374 S HA 0.290 4.760 4.470 0.000 0.000 0.277 374 S C -1.842 172.756 174.600 -0.003 0.000 1.346 374 S CA -0.515 57.684 58.200 -0.001 0.000 1.034 374 S CB 0.515 63.712 63.200 -0.006 0.000 0.879 374 S HN 0.623 nan 8.310 nan 0.000 0.528 375 P HA -0.150 nan 4.420 nan 0.000 0.216 375 P C 1.212 178.507 177.300 -0.010 0.000 1.157 375 P CA 1.572 64.670 63.100 -0.004 0.000 0.880 375 P CB -0.051 31.647 31.700 -0.003 0.000 0.791 376 E N -0.654 119.539 120.200 -0.011 0.000 2.048 376 E HA -0.211 4.139 4.350 0.000 0.000 0.202 376 E C 1.897 178.483 176.600 -0.022 0.000 1.021 376 E CA 1.099 57.490 56.400 -0.015 0.000 0.825 376 E CB -1.466 28.226 29.700 -0.013 0.000 0.756 376 E HN 0.098 nan 8.360 nan 0.000 0.454 377 L N 0.801 122.008 121.223 -0.027 0.000 2.083 377 L HA -0.151 4.189 4.340 0.000 0.000 0.209 377 L C 1.973 178.810 176.870 -0.055 0.000 1.083 377 L CA 2.032 56.846 54.840 -0.043 0.000 0.752 377 L CB -1.052 40.979 42.059 -0.046 0.000 0.899 377 L HN 0.162 nan 8.230 nan 0.000 0.433 378 T N 0.033 114.563 114.554 -0.039 0.000 2.699 378 T HA -0.198 4.152 4.350 0.000 0.000 0.268 378 T C 1.687 176.363 174.700 -0.040 0.000 1.036 378 T CA 1.574 63.652 62.100 -0.036 0.000 1.147 378 T CB -0.209 68.655 68.868 -0.007 0.000 0.862 378 T HN 0.335 nan 8.240 nan 0.000 0.446 379 K N 1.228 121.610 120.400 -0.031 0.000 2.504 379 K HA 0.031 4.351 4.320 0.000 0.000 0.195 379 K C 1.414 177.993 176.600 -0.034 0.000 1.036 379 K CA 0.694 56.965 56.287 -0.027 0.000 0.984 379 K CB -0.024 32.465 32.500 -0.019 0.000 0.788 379 K HN 0.378 nan 8.250 nan 0.000 0.488 380 K N 0.796 121.168 120.400 -0.047 0.000 2.397 380 K HA 0.222 4.542 4.320 0.000 0.000 0.202 380 K C 0.441 176.999 176.600 -0.070 0.000 1.022 380 K CA -0.175 56.081 56.287 -0.050 0.000 1.141 380 K CB 0.272 32.743 32.500 -0.048 0.000 0.857 380 K HN -0.007 nan 8.250 nan 0.000 0.514 381 L N 1.682 122.855 121.223 -0.084 0.000 2.475 381 L HA 0.204 4.544 4.340 0.000 0.000 0.253 381 L C -1.993 174.840 176.870 -0.062 0.000 1.198 381 L CA -2.134 52.643 54.840 -0.104 0.000 0.814 381 L CB -0.046 41.934 42.059 -0.131 0.000 1.134 381 L HN -0.121 nan 8.230 nan 0.000 0.478 382 P HA -0.024 nan 4.420 nan 0.000 0.268 382 P C 0.074 177.364 177.300 -0.015 0.000 1.205 382 P CA -0.064 63.020 63.100 -0.026 0.000 0.771 382 P CB 0.600 32.291 31.700 -0.015 0.000 0.858 383 V N -0.625 119.284 119.914 -0.009 0.000 3.346 383 V HA 0.299 4.419 4.120 0.000 0.000 0.309 383 V C -0.009 176.086 176.094 0.001 0.000 1.457 383 V CA 0.158 62.456 62.300 -0.003 0.000 1.069 383 V CB -1.026 30.794 31.823 -0.005 0.000 0.944 383 V HN 0.688 nan 8.190 nan 0.000 0.449 384 Q N -0.831 118.970 119.800 0.001 0.000 2.756 384 Q HA 0.546 4.886 4.340 0.000 0.000 0.295 384 Q C -2.124 173.875 176.000 -0.002 0.000 0.903 384 Q CA -0.726 55.078 55.803 0.001 0.000 0.768 384 Q CB 1.614 30.353 28.738 0.001 0.000 1.472 384 Q HN 0.134 nan 8.270 nan 0.000 0.416 385 D N 0.620 121.015 120.400 -0.008 0.000 2.505 385 D HA 0.313 4.953 4.640 0.000 0.000 0.250 385 D C -0.094 176.190 176.300 -0.027 0.000 1.164 385 D CA -0.284 53.703 54.000 -0.022 0.000 0.870 385 D CB 1.933 42.712 40.800 -0.035 0.000 1.160 385 D HN 0.668 nan 8.370 nan 0.000 0.549 386 T N 1.080 115.622 114.554 -0.020 0.000 3.069 386 T HA 0.214 4.564 4.350 0.000 0.000 0.252 386 T C 1.794 176.466 174.700 -0.046 0.000 1.053 386 T CA 0.184 62.282 62.100 -0.003 0.000 0.964 386 T CB -0.278 68.613 68.868 0.039 0.000 1.005 386 T HN 0.602 nan 8.240 nan 0.000 0.532 387 I N -1.541 118.947 120.570 -0.136 0.000 4.300 387 I HA -0.312 3.858 4.170 0.000 0.000 0.079 387 I C 0.003 175.821 176.117 -0.498 0.000 0.562 387 I CA 1.489 62.585 61.300 -0.341 0.000 1.126 387 I CB -1.318 36.432 38.000 -0.416 0.000 1.002 387 I HN 0.285 nan 8.210 nan 0.000 0.174 388 F N 1.159 121.094 119.950 -0.025 0.000 2.457 388 F HA 0.631 5.158 4.527 0.000 0.000 0.330 388 F C 0.655 176.451 175.800 -0.006 0.000 1.069 388 F CA -0.519 57.473 58.000 -0.013 0.000 1.009 388 F CB 1.241 40.239 39.000 -0.003 0.000 1.276 388 F HN -0.230 nan 8.300 nan 0.000 0.492 389 S N 1.408 117.235 115.700 0.211 0.000 2.561 389 S HA 0.577 5.047 4.470 0.000 0.000 0.303 389 S C -0.589 174.071 174.600 0.100 0.000 1.110 389 S CA -0.754 57.516 58.200 0.117 0.000 1.034 389 S CB 0.846 64.091 63.200 0.075 0.000 1.010 389 S HN 0.363 nan 8.310 nan 0.000 0.482 390 L N 3.353 124.617 121.223 0.069 0.000 2.464 390 L HA 0.353 4.693 4.340 0.000 0.000 0.264 390 L C -2.085 174.803 176.870 0.031 0.000 1.199 390 L CA -1.930 52.934 54.840 0.039 0.000 0.818 390 L CB -0.251 41.824 42.059 0.028 0.000 1.102 390 L HN 0.327 nan 8.230 nan 0.000 0.473 391 P HA 0.032 nan 4.420 nan 0.000 0.268 391 P C 0.313 177.623 177.300 0.017 0.000 1.204 391 P CA -0.087 63.025 63.100 0.019 0.000 0.768 391 P CB 0.596 32.303 31.700 0.012 0.000 0.842 392 T N -1.961 112.603 114.554 0.018 0.000 3.044 392 T HA 0.114 4.464 4.350 0.000 0.000 0.260 392 T C 0.634 175.341 174.700 0.010 0.000 1.019 392 T CA -0.143 61.965 62.100 0.013 0.000 0.921 392 T CB -0.157 68.719 68.868 0.014 0.000 1.053 392 T HN 0.144 nan 8.240 nan 0.000 0.533 393 Q N 3.880 123.686 119.800 0.011 0.000 2.286 393 Q HA 0.440 4.781 4.340 0.000 0.000 0.267 393 Q C -1.989 174.013 176.000 0.004 0.000 1.028 393 Q CA -1.468 54.340 55.803 0.008 0.000 0.901 393 Q CB 0.509 29.252 28.738 0.008 0.000 1.183 393 Q HN 0.442 nan 8.270 nan 0.000 0.392 394 P HA 0.000 nan 4.420 nan 0.000 0.216 394 P CA 0.000 63.100 63.100 0.001 0.000 0.800 394 P CB 0.000 31.700 31.700 0.001 0.000 0.726