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 1z14_1_A DATA FIRST_RESID 39 DATA SEQUENCE GVGVSTGSYD NQTHYRFLGD GWVEITALAT RLVHLNMPKS ENYCRIRVHN DATA SEQUENCE TTDTSVKGNM AKDDAHEQIW TPWSLVDANA WGVWLQPSDW QYICNTMSQL DATA SEQUENCE NLVSLDQEIF NVVLKTVTEQ DLGGQAIKIY NNDLTACMMV AVDSNNILPY DATA SEQUENCE TPAANSMETL GFYPWKPTIA SPYRYYFCVD RDLSVTYENQ EGTVEHNVMG DATA SEQUENCE TPKGMNSQFF TIENTQQITL LRTGDEFATG TYYFDTNPVK LTHTWQTNRQ DATA SEQUENCE LGQPPLLSTF PEADTDAGTL TAQGSRHGTT QMGVNWVSEA IRTRPAQVGF DATA SEQUENCE CQPHNDFEAS RAGPFAAPKV PADITQGVDK EANGSVRYSY GKQHGENWAS DATA SEQUENCE HGPAPERYTW DETSFGSGRD TKDGFIQSAP LVVPPPLNGI LTNANPIGTK DATA SEQUENCE NDIHFSNVFN SYGPLTAFSH PSPVYPQGQI WDKELDLEHK PRLHITAPFV DATA SEQUENCE CKNNAPGQML VRLGPNLTDQ YDPNGATLSR IVTYGTFFWK GKLTMRAKLR DATA SEQUENCE ANTTWNPVYQ VSAEDNGNSY MSVTKWLPTA TGNMQSVPLI TRPVARNTY 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 39 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 39 G C 0.000 174.918 174.900 0.029 0.000 0.946 39 G CA 0.000 45.114 45.100 0.024 0.000 0.502 40 V N 0.470 120.401 119.914 0.027 0.000 2.567 40 V HA 0.693 4.813 4.120 -0.001 0.000 0.289 40 V C 1.193 177.306 176.094 0.031 0.000 1.049 40 V CA 1.374 63.692 62.300 0.031 0.000 0.969 40 V CB 1.229 33.068 31.823 0.027 0.000 0.995 40 V HN 1.721 nan 8.190 nan 0.000 0.471 41 G N 3.797 112.619 108.800 0.037 0.000 2.144 41 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.218 41 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.218 41 G C -0.127 174.795 174.900 0.035 0.000 0.988 41 G CA 0.177 45.297 45.100 0.035 0.000 0.659 41 G HN 2.006 nan 8.290 nan 0.000 0.522 42 V N -2.429 117.509 119.914 0.041 0.000 2.686 42 V HA 0.887 5.007 4.120 -0.001 0.000 0.306 42 V C 0.424 176.549 176.094 0.053 0.000 1.065 42 V CA -0.287 62.036 62.300 0.038 0.000 0.894 42 V CB 1.491 33.331 31.823 0.028 0.000 1.004 42 V HN 0.557 nan 8.190 nan 0.000 0.424 43 S N 3.000 118.729 115.700 0.050 0.000 2.576 43 S HA 0.337 4.806 4.470 -0.001 0.000 0.272 43 S C 1.206 175.845 174.600 0.065 0.000 1.352 43 S CA 0.391 58.634 58.200 0.071 0.000 1.021 43 S CB 0.975 64.202 63.200 0.045 0.000 0.887 43 S HN 1.264 nan 8.310 nan 0.000 0.542 44 T N -1.979 112.647 114.554 0.120 0.000 3.111 44 T HA 0.532 4.882 4.350 -0.001 0.000 0.284 44 T C 0.379 174.986 174.700 -0.156 0.000 0.983 44 T CA 0.022 62.160 62.100 0.062 0.000 0.900 44 T CB 0.313 69.281 68.868 0.166 0.000 1.132 44 T HN 0.777 nan 8.240 nan 0.000 0.531 45 G N 0.341 108.953 108.800 -0.314 0.000 2.600 45 G HA2 0.555 4.514 3.960 -0.001 0.000 0.293 45 G HA3 0.555 4.514 3.960 -0.001 0.000 0.293 45 G C -1.782 172.782 174.900 -0.560 0.000 1.408 45 G CA -0.504 43.906 45.100 -1.149 0.000 0.782 45 G HN 0.267 nan 8.290 nan 0.000 0.482 46 S N -1.495 113.873 115.700 -0.553 0.000 2.568 46 S HA 0.681 5.151 4.470 -0.001 0.000 0.302 46 S C -1.452 173.209 174.600 0.101 0.000 1.082 46 S CA -0.579 57.547 58.200 -0.123 0.000 1.009 46 S CB 1.369 64.500 63.200 -0.115 0.000 1.069 46 S HN 0.764 nan 8.310 nan 0.000 0.500 47 Y N 2.867 123.197 120.300 0.050 0.000 2.323 47 Y HA 0.606 5.156 4.550 -0.001 0.000 0.331 47 Y C -0.422 175.540 175.900 0.103 0.000 1.092 47 Y CA -0.149 58.023 58.100 0.120 0.000 1.150 47 Y CB 1.040 39.555 38.460 0.093 0.000 1.200 47 Y HN 0.673 nan 8.280 nan 0.000 0.472 48 D N 4.455 124.610 120.400 -0.409 0.000 2.871 48 D HA 0.137 4.776 4.640 -0.001 0.000 0.209 48 D C -1.623 174.490 176.300 -0.311 0.000 1.292 48 D CA -0.321 53.545 54.000 -0.223 0.000 0.869 48 D CB 1.146 41.910 40.800 -0.062 0.000 1.663 48 D HN 0.759 nan 8.370 nan 0.000 0.557 49 N N 3.115 121.709 118.700 -0.176 0.000 2.588 49 N HA 0.097 4.837 4.740 -0.001 0.000 0.298 49 N C -0.665 174.851 175.510 0.009 0.000 1.718 49 N CA -0.074 52.929 53.050 -0.079 0.000 0.888 49 N CB 1.006 39.477 38.487 -0.027 0.000 1.389 49 N HN 0.455 nan 8.380 nan 0.000 0.491 50 Q N -0.370 119.406 119.800 -0.041 0.000 2.185 50 Q HA 0.448 4.788 4.340 -0.001 0.000 0.225 50 Q C -0.533 175.346 176.000 -0.202 0.000 0.983 50 Q CA -0.241 55.491 55.803 -0.118 0.000 0.950 50 Q CB 1.378 29.980 28.738 -0.227 0.000 1.176 50 Q HN 0.005 nan 8.270 nan 0.000 0.510 51 T N 1.052 115.434 114.554 -0.285 0.000 2.937 51 T HA 0.372 4.721 4.350 -0.001 0.000 0.297 51 T C -1.470 173.034 174.700 -0.326 0.000 0.991 51 T CA -0.701 61.250 62.100 -0.249 0.000 0.990 51 T CB 0.492 69.334 68.868 -0.042 0.000 0.991 51 T HN 0.426 nan 8.240 nan 0.000 0.440 52 H N 1.261 120.282 119.070 -0.083 0.000 2.469 52 H HA 0.551 5.106 4.556 -0.001 0.000 0.342 52 H C -1.143 174.075 175.328 -0.182 0.000 1.115 52 H CA -0.705 55.327 56.048 -0.027 0.000 1.204 52 H CB 1.274 31.042 29.762 0.009 0.000 1.492 52 H HN 0.506 nan 8.280 nan 0.000 0.499 53 Y N 1.368 121.751 120.300 0.138 0.000 2.352 53 Y HA 0.438 4.987 4.550 -0.001 0.000 0.339 53 Y C 0.245 176.067 175.900 -0.129 0.000 0.992 53 Y CA -0.781 57.279 58.100 -0.067 0.000 1.100 53 Y CB 1.295 39.707 38.460 -0.079 0.000 1.192 53 Y HN 0.368 nan 8.280 nan 0.000 0.458 54 R N 3.298 123.713 120.500 -0.141 0.000 2.480 54 R HA 0.447 4.786 4.340 -0.001 0.000 0.306 54 R C -1.862 174.306 176.300 -0.219 0.000 0.958 54 R CA -0.868 55.195 56.100 -0.062 0.000 0.861 54 R CB 1.368 31.663 30.300 -0.007 0.000 1.171 54 R HN 0.530 nan 8.270 nan 0.000 0.445 55 F N 4.025 124.044 119.950 0.116 0.000 2.404 55 F HA 0.335 4.861 4.527 -0.001 0.000 0.354 55 F C 0.302 176.158 175.800 0.093 0.000 1.122 55 F CA -0.787 57.276 58.000 0.105 0.000 1.080 55 F CB 0.872 39.921 39.000 0.082 0.000 1.131 55 F HN 0.041 nan 8.300 nan 0.000 0.471 56 L N 1.664 123.037 121.223 0.249 0.000 2.397 56 L HA 0.661 5.000 4.340 -0.001 0.000 0.266 56 L C 0.914 177.916 176.870 0.219 0.000 1.040 56 L CA -0.967 53.994 54.840 0.202 0.000 0.800 56 L CB 0.296 42.463 42.059 0.180 0.000 1.324 56 L HN 0.626 nan 8.230 nan 0.000 0.469 57 G N -1.032 107.875 108.800 0.177 0.000 2.606 57 G HA2 0.336 4.296 3.960 -0.001 0.000 0.252 57 G HA3 0.336 4.296 3.960 -0.001 0.000 0.252 57 G C -0.377 174.645 174.900 0.204 0.000 1.206 57 G CA -0.083 45.109 45.100 0.153 0.000 0.861 57 G HN 0.781 nan 8.290 nan 0.000 0.561 58 D N -1.238 119.238 120.400 0.126 0.000 2.907 58 D HA -0.153 4.486 4.640 -0.001 0.000 0.226 58 D C 1.535 177.788 176.300 -0.078 0.000 1.141 58 D CA 2.356 56.406 54.000 0.082 0.000 0.779 58 D CB -1.414 39.522 40.800 0.226 0.000 1.095 58 D HN 1.669 nan 8.370 nan 0.000 0.430 59 G N -1.509 107.278 108.800 -0.022 0.000 2.200 59 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.267 59 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.267 59 G C 0.324 175.123 174.900 -0.169 0.000 0.993 59 G CA 0.571 45.621 45.100 -0.083 0.000 0.701 59 G HN 0.431 nan 8.290 nan 0.000 0.524 60 W N -1.205 120.125 121.300 0.051 0.000 2.184 60 W HA 0.533 5.192 4.660 -0.001 0.000 0.338 60 W C 0.326 176.845 176.519 0.000 0.000 1.257 60 W CA -0.524 56.830 57.345 0.015 0.000 1.243 60 W CB 1.181 30.643 29.460 0.003 0.000 1.122 60 W HN 0.160 nan 8.180 nan 0.000 0.585 61 V N 1.690 121.727 119.914 0.205 0.000 2.733 61 V HA 0.170 4.289 4.120 -0.001 0.000 0.306 61 V C -0.667 175.417 176.094 -0.016 0.000 1.084 61 V CA -1.365 60.924 62.300 -0.017 0.000 0.905 61 V CB 1.579 33.298 31.823 -0.173 0.000 1.010 61 V HN 0.516 nan 8.190 nan 0.000 0.424 62 E N 4.898 125.054 120.200 -0.074 0.000 2.146 62 E HA 0.600 4.949 4.350 -0.001 0.000 0.282 62 E C -1.273 175.247 176.600 -0.134 0.000 0.989 62 E CA -0.487 55.870 56.400 -0.072 0.000 0.799 62 E CB 1.092 30.762 29.700 -0.050 0.000 1.088 62 E HN 0.670 nan 8.360 nan 0.000 0.397 63 I N 3.821 124.298 120.570 -0.155 0.000 2.404 63 I HA 0.247 4.417 4.170 -0.001 0.000 0.293 63 I C -0.437 175.566 176.117 -0.190 0.000 0.992 63 I CA -0.762 60.379 61.300 -0.264 0.000 1.149 63 I CB 2.124 39.937 38.000 -0.312 0.000 1.315 63 I HN 0.452 nan 8.210 nan 0.000 0.446 64 T N 5.265 119.715 114.554 -0.173 0.000 2.842 64 T HA 0.545 4.894 4.350 -0.001 0.000 0.308 64 T C -0.079 174.581 174.700 -0.066 0.000 1.041 64 T CA -0.520 61.533 62.100 -0.079 0.000 0.964 64 T CB 1.199 70.079 68.868 0.019 0.000 0.972 64 T HN 0.656 nan 8.240 nan 0.000 0.460 65 A N 4.533 127.338 122.820 -0.024 0.000 2.260 65 A HA 0.737 5.057 4.320 -0.001 0.000 0.308 65 A C -0.267 177.454 177.584 0.228 0.000 1.254 65 A CA -0.582 51.519 52.037 0.107 0.000 0.874 65 A CB 0.239 19.373 19.000 0.223 0.000 1.153 65 A HN 0.861 nan 8.150 nan 0.000 0.527 66 L N 2.216 123.534 121.223 0.158 0.000 2.322 66 L HA 0.747 5.086 4.340 -0.001 0.000 0.281 66 L C 0.197 177.129 176.870 0.104 0.000 1.014 66 L CA -0.388 54.534 54.840 0.136 0.000 0.815 66 L CB 1.931 44.005 42.059 0.024 0.000 1.247 66 L HN 0.812 nan 8.230 nan 0.000 0.421 67 A N 2.123 124.971 122.820 0.046 0.000 2.455 67 A HA 0.827 5.146 4.320 -0.001 0.000 0.300 67 A C -0.809 176.717 177.584 -0.098 0.000 1.040 67 A CA -0.422 51.586 52.037 -0.048 0.000 0.697 67 A CB 1.880 20.800 19.000 -0.133 0.000 1.265 67 A HN 0.560 nan 8.150 nan 0.000 0.407 68 T N 2.348 116.854 114.554 -0.080 0.000 2.876 68 T HA 0.799 5.148 4.350 -0.001 0.000 0.289 68 T C -0.629 174.239 174.700 0.280 0.000 1.014 68 T CA -0.748 61.372 62.100 0.033 0.000 0.986 68 T CB 1.386 70.063 68.868 -0.319 0.000 1.021 68 T HN 0.634 nan 8.240 nan 0.000 0.458 69 R N 1.210 121.970 120.500 0.433 0.000 2.707 69 R HA 0.494 4.833 4.340 -0.001 0.000 0.272 69 R C -1.658 174.710 176.300 0.114 0.000 1.011 69 R CA -1.013 55.256 56.100 0.281 0.000 0.893 69 R CB 2.119 32.501 30.300 0.137 0.000 1.233 69 R HN 0.500 nan 8.270 nan 0.000 0.464 70 L N 2.125 123.280 121.223 -0.113 0.000 2.257 70 L HA 0.417 4.756 4.340 -0.001 0.000 0.290 70 L C -0.926 175.676 176.870 -0.447 0.000 1.044 70 L CA -0.401 54.130 54.840 -0.514 0.000 0.810 70 L CB 1.316 43.048 42.059 -0.544 0.000 1.193 70 L HN 0.299 nan 8.230 nan 0.000 0.425 71 V N 5.138 124.645 119.914 -0.678 0.000 2.532 71 V HA 0.343 4.463 4.120 -0.001 0.000 0.295 71 V C -0.539 175.180 176.094 -0.624 0.000 1.041 71 V CA -0.632 61.243 62.300 -0.707 0.000 0.926 71 V CB 1.381 32.554 31.823 -1.084 0.000 0.992 71 V HN 0.880 nan 8.190 nan 0.000 0.457 72 H N 4.009 122.837 119.070 -0.402 0.000 2.481 72 H HA 0.685 5.241 4.556 -0.001 0.000 0.333 72 H C -1.212 174.044 175.328 -0.121 0.000 1.066 72 H CA -0.691 55.223 56.048 -0.223 0.000 1.209 72 H CB 1.453 31.133 29.762 -0.136 0.000 1.445 72 H HN 0.518 nan 8.280 nan 0.000 0.488 73 L N 4.919 126.027 121.223 -0.191 0.000 2.362 73 L HA 0.439 4.778 4.340 -0.001 0.000 0.275 73 L C -1.050 175.817 176.870 -0.004 0.000 0.998 73 L CA -0.315 54.527 54.840 0.004 0.000 0.820 73 L CB 1.624 43.733 42.059 0.083 0.000 1.270 73 L HN 0.799 nan 8.230 nan 0.000 0.415 74 N N 3.157 121.927 118.700 0.117 0.000 2.443 74 N HA 0.549 5.288 4.740 -0.001 0.000 0.293 74 N C -0.553 175.002 175.510 0.076 0.000 1.159 74 N CA -0.737 52.391 53.050 0.131 0.000 0.904 74 N CB 1.507 40.093 38.487 0.165 0.000 1.214 74 N HN 0.644 nan 8.380 nan 0.000 0.513 75 M N 1.558 121.201 119.600 0.071 0.000 2.252 75 M HA 0.130 4.610 4.480 -0.001 0.000 0.329 75 M C -2.151 174.171 176.300 0.036 0.000 1.101 75 M CA -0.772 54.548 55.300 0.033 0.000 1.117 75 M CB 0.516 33.139 32.600 0.038 0.000 1.563 75 M HN 0.340 nan 8.290 nan 0.000 0.445 76 P HA 0.095 nan 4.420 nan 0.000 0.275 76 P C -0.145 177.204 177.300 0.082 0.000 1.227 76 P CA -0.372 62.761 63.100 0.054 0.000 0.781 76 P CB 0.640 32.333 31.700 -0.010 0.000 0.906 77 K N 0.636 121.121 120.400 0.140 0.000 2.044 77 K HA -0.077 4.243 4.320 -0.001 0.000 0.210 77 K C 0.880 177.500 176.600 0.034 0.000 1.049 77 K CA 1.543 57.867 56.287 0.062 0.000 0.927 77 K CB -0.270 32.232 32.500 0.003 0.000 0.713 77 K HN 0.494 nan 8.250 nan 0.000 0.443 78 S N -0.174 115.574 115.700 0.079 0.000 2.548 78 S HA 0.215 4.684 4.470 -0.001 0.000 0.286 78 S C -0.026 174.612 174.600 0.063 0.000 1.098 78 S CA -0.666 57.564 58.200 0.050 0.000 0.930 78 S CB 1.531 64.743 63.200 0.021 0.000 1.070 78 S HN 0.039 nan 8.310 nan 0.000 0.480 79 E N 2.272 122.494 120.200 0.037 0.000 2.463 79 E HA 0.133 4.482 4.350 -0.001 0.000 0.191 79 E C -0.460 176.161 176.600 0.036 0.000 1.083 79 E CA 0.274 56.684 56.400 0.016 0.000 0.872 79 E CB -0.307 29.410 29.700 0.029 0.000 0.966 79 E HN 0.446 nan 8.360 nan 0.000 0.491 80 N N -0.401 118.338 118.700 0.066 0.000 2.402 80 N HA 0.256 4.995 4.740 -0.001 0.000 0.294 80 N C -1.039 174.554 175.510 0.139 0.000 1.203 80 N CA -0.571 52.549 53.050 0.117 0.000 0.838 80 N CB 0.704 39.266 38.487 0.125 0.000 1.306 80 N HN -0.112 nan 8.380 nan 0.000 0.510 81 Y N -0.021 120.417 120.300 0.231 0.000 2.313 81 Y HA 0.394 4.943 4.550 -0.001 0.000 0.332 81 Y C -0.133 175.830 175.900 0.105 0.000 1.071 81 Y CA -0.355 57.896 58.100 0.252 0.000 1.169 81 Y CB 0.808 39.496 38.460 0.379 0.000 1.192 81 Y HN 0.325 nan 8.280 nan 0.000 0.487 82 C N 4.094 123.546 119.300 0.252 0.000 2.408 82 C HA 0.517 4.976 4.460 -0.001 0.000 0.321 82 C C -0.023 174.940 174.990 -0.045 0.000 1.245 82 C CA -1.373 57.681 59.018 0.059 0.000 1.523 82 C CB 1.197 28.953 27.740 0.027 0.000 2.178 82 C HN 0.814 nan 8.230 nan 0.000 0.488 83 R N 2.822 123.217 120.500 -0.175 0.000 2.198 83 R HA 0.695 5.035 4.340 -0.001 0.000 0.339 83 R C -1.188 175.019 176.300 -0.155 0.000 1.020 83 R CA -0.085 55.861 56.100 -0.257 0.000 0.864 83 R CB 0.183 30.231 30.300 -0.420 0.000 1.105 83 R HN 0.786 nan 8.270 nan 0.000 0.463 84 I N 4.006 124.515 120.570 -0.102 0.000 2.433 84 I HA 0.399 4.568 4.170 -0.001 0.000 0.292 84 I C 0.094 176.163 176.117 -0.081 0.000 1.001 84 I CA -0.986 60.264 61.300 -0.084 0.000 1.119 84 I CB 2.038 39.993 38.000 -0.074 0.000 1.289 84 I HN 0.512 nan 8.210 nan 0.000 0.438 85 R N 4.468 124.917 120.500 -0.086 0.000 2.486 85 R HA 0.756 5.095 4.340 -0.001 0.000 0.286 85 R C -1.494 174.723 176.300 -0.138 0.000 0.999 85 R CA -0.489 55.553 56.100 -0.097 0.000 0.993 85 R CB 1.671 31.944 30.300 -0.046 0.000 1.084 85 R HN 0.436 nan 8.270 nan 0.000 0.487 86 V N 3.827 123.611 119.914 -0.217 0.000 2.532 86 V HA 0.230 4.349 4.120 -0.001 0.000 0.294 86 V C -1.265 174.789 176.094 -0.067 0.000 1.036 86 V CA -0.575 61.615 62.300 -0.183 0.000 0.876 86 V CB 1.406 33.023 31.823 -0.343 0.000 1.012 86 V HN 0.821 nan 8.190 nan 0.000 0.432 87 H N 5.264 124.294 119.070 -0.066 0.000 2.658 87 H HA 0.412 4.968 4.556 -0.001 0.000 0.337 87 H C 0.079 175.401 175.328 -0.010 0.000 1.009 87 H CA -0.710 55.325 56.048 -0.023 0.000 1.231 87 H CB 1.368 31.120 29.762 -0.017 0.000 1.508 87 H HN 0.705 nan 8.280 nan 0.000 0.517 88 N N 3.838 122.686 118.700 0.247 0.000 2.920 88 N HA -0.052 4.687 4.740 -0.001 0.000 0.310 88 N C 0.891 176.423 175.510 0.037 0.000 1.384 88 N CA 0.068 53.177 53.050 0.099 0.000 1.083 88 N CB 0.205 38.751 38.487 0.099 0.000 1.389 88 N HN 0.736 nan 8.380 nan 0.000 0.521 89 T N -2.870 111.608 114.554 -0.126 0.000 2.649 89 T HA -0.336 4.013 4.350 -0.001 0.000 0.268 89 T C 1.733 176.380 174.700 -0.088 0.000 1.036 89 T CA 2.276 64.247 62.100 -0.216 0.000 1.157 89 T CB -1.159 67.503 68.868 -0.343 0.000 0.861 89 T HN 0.377 nan 8.240 nan 0.000 0.445 90 T N 0.616 115.130 114.554 -0.067 0.000 2.946 90 T HA -0.190 4.160 4.350 -0.001 0.000 0.270 90 T C 1.327 176.015 174.700 -0.019 0.000 1.129 90 T CA 1.888 63.964 62.100 -0.040 0.000 1.103 90 T CB -0.639 68.211 68.868 -0.029 0.000 0.839 90 T HN 0.518 nan 8.240 nan 0.000 0.544 91 D N -0.555 119.842 120.400 -0.004 0.000 2.626 91 D HA 0.084 4.723 4.640 -0.001 0.000 0.274 91 D C 2.386 178.696 176.300 0.016 0.000 1.045 91 D CA 1.397 55.404 54.000 0.011 0.000 0.925 91 D CB -0.306 40.511 40.800 0.030 0.000 1.260 91 D HN 0.558 nan 8.370 nan 0.000 0.490 92 T N -0.022 114.551 114.554 0.032 0.000 2.833 92 T HA -0.133 4.216 4.350 -0.001 0.000 0.269 92 T C 1.982 176.693 174.700 0.018 0.000 1.054 92 T CA 1.647 63.775 62.100 0.046 0.000 1.135 92 T CB -0.404 68.529 68.868 0.108 0.000 0.869 92 T HN 0.034 nan 8.240 nan 0.000 0.466 93 S N 0.678 116.372 115.700 -0.008 0.000 2.555 93 S HA 0.127 4.596 4.470 -0.001 0.000 0.230 93 S C 0.676 175.260 174.600 -0.027 0.000 0.978 93 S CA -0.355 57.831 58.200 -0.024 0.000 0.934 93 S CB -0.764 62.409 63.200 -0.046 0.000 0.766 93 S HN 0.398 nan 8.310 nan 0.000 0.533 94 V N 2.861 122.762 119.914 -0.021 0.000 2.498 94 V HA 0.222 4.341 4.120 -0.001 0.000 0.279 94 V C 0.367 176.441 176.094 -0.033 0.000 1.048 94 V CA -0.922 61.362 62.300 -0.027 0.000 0.967 94 V CB 0.833 32.644 31.823 -0.020 0.000 0.988 94 V HN 0.355 nan 8.190 nan 0.000 0.473 95 K N 3.361 123.731 120.400 -0.050 0.000 2.484 95 K HA 0.289 4.608 4.320 -0.001 0.000 0.280 95 K C 1.175 177.742 176.600 -0.054 0.000 1.013 95 K CA 0.913 57.157 56.287 -0.071 0.000 1.029 95 K CB 0.082 32.513 32.500 -0.115 0.000 0.902 95 K HN 1.167 nan 8.250 nan 0.000 0.481 96 G N 2.546 111.317 108.800 -0.048 0.000 2.198 96 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.257 96 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.257 96 G C 0.112 174.992 174.900 -0.034 0.000 1.042 96 G CA 0.047 45.133 45.100 -0.023 0.000 0.791 96 G HN 0.685 nan 8.290 nan 0.000 0.502 97 N N -0.878 117.802 118.700 -0.033 0.000 2.235 97 N HA 0.339 5.079 4.740 -0.001 0.000 0.231 97 N C 2.042 177.537 175.510 -0.025 0.000 1.177 97 N CA 0.160 53.195 53.050 -0.025 0.000 0.874 97 N CB 0.043 38.526 38.487 -0.007 0.000 1.097 97 N HN 0.335 nan 8.380 nan 0.000 0.518 98 M N 0.492 120.061 119.600 -0.052 0.000 2.088 98 M HA -0.173 4.306 4.480 -0.001 0.000 0.256 98 M C 2.123 178.414 176.300 -0.014 0.000 1.071 98 M CA 1.748 57.024 55.300 -0.039 0.000 1.097 98 M CB -0.904 31.641 32.600 -0.091 0.000 1.315 98 M HN 0.205 nan 8.290 nan 0.000 0.406 99 A N -0.506 122.256 122.820 -0.096 0.000 2.093 99 A HA -0.195 4.124 4.320 -0.001 0.000 0.222 99 A C 2.068 179.717 177.584 0.109 0.000 1.162 99 A CA 1.658 53.712 52.037 0.029 0.000 0.655 99 A CB -0.708 18.259 19.000 -0.055 0.000 0.805 99 A HN 0.518 nan 8.150 nan 0.000 0.461 100 K N 0.028 120.467 120.400 0.065 0.000 2.417 100 K HA 0.016 4.335 4.320 -0.001 0.000 0.196 100 K C -0.238 176.418 176.600 0.093 0.000 1.023 100 K CA -0.022 56.311 56.287 0.077 0.000 1.122 100 K CB -0.047 32.484 32.500 0.051 0.000 0.850 100 K HN 0.509 nan 8.250 nan 0.000 0.521 101 D N 2.892 123.356 120.400 0.106 0.000 2.414 101 D HA -0.050 4.589 4.640 -0.001 0.000 0.242 101 D C -0.387 175.998 176.300 0.142 0.000 1.129 101 D CA 0.303 54.377 54.000 0.123 0.000 0.885 101 D CB 0.694 41.568 40.800 0.124 0.000 1.198 101 D HN 0.159 nan 8.370 nan 0.000 0.437 102 D N 1.700 122.192 120.400 0.154 0.000 3.285 102 D HA 0.293 4.932 4.640 -0.001 0.000 0.273 102 D C -1.218 175.226 176.300 0.240 0.000 1.295 102 D CA -0.636 53.478 54.000 0.190 0.000 0.762 102 D CB -0.365 40.536 40.800 0.168 0.000 1.379 102 D HN 0.310 nan 8.370 nan 0.000 0.612 103 A N 1.658 124.594 122.820 0.192 0.000 2.317 103 A HA 0.817 5.136 4.320 -0.001 0.000 0.327 103 A C -0.220 177.470 177.584 0.176 0.000 1.178 103 A CA -0.359 51.737 52.037 0.099 0.000 0.817 103 A CB 1.147 20.102 19.000 -0.074 0.000 1.189 103 A HN 0.657 nan 8.150 nan 0.000 0.489 104 H N -0.310 118.791 119.070 0.051 0.000 2.876 104 H HA 0.526 5.081 4.556 -0.001 0.000 0.284 104 H C -1.598 173.793 175.328 0.105 0.000 1.445 104 H CA -0.554 55.555 56.048 0.101 0.000 1.141 104 H CB 0.844 30.735 29.762 0.215 0.000 1.816 104 H HN 0.617 nan 8.280 nan 0.000 0.511 105 E N 0.845 121.169 120.200 0.207 0.000 2.234 105 E HA 0.350 4.699 4.350 -0.001 0.000 0.266 105 E C -1.263 175.544 176.600 0.345 0.000 0.877 105 E CA -0.578 55.907 56.400 0.143 0.000 0.758 105 E CB 2.352 32.164 29.700 0.187 0.000 1.170 105 E HN 0.611 nan 8.360 nan 0.000 0.415 106 Q N 3.736 123.660 119.800 0.208 0.000 2.451 106 Q HA 0.529 4.868 4.340 -0.001 0.000 0.281 106 Q C -0.834 175.140 176.000 -0.042 0.000 1.099 106 Q CA -1.050 54.835 55.803 0.137 0.000 0.806 106 Q CB 1.604 30.414 28.738 0.121 0.000 1.419 106 Q HN 0.377 nan 8.270 nan 0.000 0.427 107 I N 1.758 122.180 120.570 -0.246 0.000 2.336 107 I HA 0.273 4.442 4.170 -0.001 0.000 0.292 107 I C -0.734 175.250 176.117 -0.221 0.000 0.991 107 I CA -0.337 60.744 61.300 -0.366 0.000 1.227 107 I CB 1.035 38.537 38.000 -0.830 0.000 1.366 107 I HN 0.756 nan 8.210 nan 0.000 0.466 108 W N 8.158 129.359 121.300 -0.166 0.000 2.376 108 W HA 0.392 5.051 4.660 -0.001 0.000 0.312 108 W C -0.600 175.948 176.519 0.047 0.000 1.060 108 W CA -0.589 56.712 57.345 -0.074 0.000 1.221 108 W CB 1.664 31.087 29.460 -0.061 0.000 1.281 108 W HN 0.631 nan 8.180 nan 0.000 0.456 109 T N 3.666 117.942 114.554 -0.463 0.000 2.902 109 T HA 0.391 4.740 4.350 -0.001 0.000 0.283 109 T C -1.618 172.804 174.700 -0.464 0.000 1.009 109 T CA -1.844 60.121 62.100 -0.223 0.000 1.051 109 T CB 2.328 71.353 68.868 0.261 0.000 0.999 109 T HN 0.402 nan 8.240 nan 0.000 0.474 110 P HA 0.107 nan 4.420 nan 0.000 0.242 110 P C -0.589 176.594 177.300 -0.194 0.000 1.197 110 P CA -0.009 62.993 63.100 -0.162 0.000 0.765 110 P CB -0.053 31.522 31.700 -0.209 0.000 0.936 111 W N 0.507 121.705 121.300 -0.170 0.000 2.448 111 W HA 0.389 5.048 4.660 -0.001 0.000 0.339 111 W C 0.596 177.068 176.519 -0.078 0.000 1.124 111 W CA 0.014 57.313 57.345 -0.077 0.000 1.262 111 W CB 0.818 30.271 29.460 -0.011 0.000 1.251 111 W HN -0.272 nan 8.180 nan 0.000 0.597 112 S N 1.816 117.631 115.700 0.192 0.000 2.648 112 S HA 0.815 5.284 4.470 -0.001 0.000 0.305 112 S C -0.884 173.793 174.600 0.127 0.000 1.094 112 S CA -0.932 57.334 58.200 0.110 0.000 0.983 112 S CB 1.200 64.442 63.200 0.069 0.000 1.101 112 S HN 0.418 nan 8.310 nan 0.000 0.514 113 L N -1.358 119.910 121.223 0.076 0.000 2.409 113 L HA 0.869 5.208 4.340 -0.001 0.000 0.262 113 L C -1.436 175.441 176.870 0.012 0.000 0.992 113 L CA -1.112 53.748 54.840 0.034 0.000 0.817 113 L CB 1.592 43.639 42.059 -0.020 0.000 1.350 113 L HN 0.347 nan 8.230 nan 0.000 0.411 114 V N 1.620 121.535 119.914 0.002 0.000 2.334 114 V HA 0.299 4.418 4.120 -0.001 0.000 0.267 114 V C -0.620 175.411 176.094 -0.105 0.000 1.040 114 V CA 0.087 62.346 62.300 -0.069 0.000 0.866 114 V CB 0.650 32.448 31.823 -0.042 0.000 1.019 114 V HN 0.840 nan 8.190 nan 0.000 0.468 115 D N 3.784 124.101 120.400 -0.139 0.000 2.308 115 D HA 0.681 5.320 4.640 -0.001 0.000 0.242 115 D C 0.393 176.582 176.300 -0.186 0.000 1.059 115 D CA -0.247 53.684 54.000 -0.115 0.000 0.830 115 D CB 1.956 42.694 40.800 -0.103 0.000 1.161 115 D HN 0.562 nan 8.370 nan 0.000 0.494 116 A N 3.723 126.476 122.820 -0.111 0.000 2.538 116 A HA 0.132 4.452 4.320 -0.001 0.000 0.269 116 A C 0.772 178.368 177.584 0.020 0.000 1.231 116 A CA -0.433 51.529 52.037 -0.126 0.000 0.948 116 A CB -0.066 18.877 19.000 -0.094 0.000 1.110 116 A HN 0.510 nan 8.150 nan 0.000 0.529 117 N N 2.436 121.000 118.700 -0.227 0.000 2.814 117 N HA 0.358 5.097 4.740 -0.001 0.000 0.304 117 N C -0.554 174.682 175.510 -0.457 0.000 1.211 117 N CA 0.925 53.556 53.050 -0.698 0.000 1.158 117 N CB -0.422 37.512 38.487 -0.922 0.000 1.458 117 N HN 0.509 nan 8.380 nan 0.000 0.519 118 A N 1.689 124.321 122.820 -0.313 0.000 2.534 118 A HA 0.184 4.503 4.320 -0.001 0.000 0.300 118 A C 0.309 177.720 177.584 -0.289 0.000 1.054 118 A CA -0.867 50.986 52.037 -0.307 0.000 0.858 118 A CB -0.346 18.538 19.000 -0.194 0.000 1.333 118 A HN 0.431 nan 8.150 nan 0.000 0.391 119 W N 2.237 123.413 121.300 -0.205 0.000 2.290 119 W HA -0.202 4.457 4.660 -0.001 0.000 0.323 119 W C 2.270 178.517 176.519 -0.453 0.000 1.260 119 W CA 2.554 59.788 57.345 -0.184 0.000 1.266 119 W CB -0.336 28.903 29.460 -0.367 0.000 1.149 119 W HN 0.979 nan 8.180 nan 0.000 0.482 120 G N 0.264 108.538 108.800 -0.877 0.000 2.562 120 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.223 120 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.223 120 G C 1.379 175.646 174.900 -1.054 0.000 1.102 120 G CA 1.773 45.937 45.100 -1.560 0.000 0.742 120 G HN 0.246 nan 8.290 nan 0.000 0.587 121 V N -0.680 118.758 119.914 -0.793 0.000 2.307 121 V HA -0.145 3.974 4.120 -0.001 0.000 0.245 121 V C 2.421 178.225 176.094 -0.483 0.000 1.045 121 V CA 2.026 63.968 62.300 -0.597 0.000 1.024 121 V CB -0.562 30.796 31.823 -0.774 0.000 0.651 121 V HN 0.647 nan 8.190 nan 0.000 0.449 122 W N -0.565 120.735 121.300 -0.000 0.000 2.494 122 W HA 0.281 4.941 4.660 -0.001 0.000 0.286 122 W C 0.962 177.573 176.519 0.154 0.000 1.218 122 W CA -0.076 57.335 57.345 0.110 0.000 1.313 122 W CB -0.272 29.272 29.460 0.139 0.000 1.105 122 W HN 0.111 nan 8.180 nan 0.000 0.561 123 L N 0.251 121.721 121.223 0.412 0.000 2.335 123 L HA 0.419 4.758 4.340 -0.001 0.000 0.268 123 L C 0.046 177.119 176.870 0.339 0.000 1.016 123 L CA -1.136 53.945 54.840 0.401 0.000 0.805 123 L CB 1.154 43.539 42.059 0.543 0.000 1.311 123 L HN -0.235 nan 8.230 nan 0.000 0.456 124 Q N 1.450 121.426 119.800 0.294 0.000 2.333 124 Q HA 0.262 4.601 4.340 -0.001 0.000 0.265 124 Q C -1.857 174.253 176.000 0.183 0.000 0.989 124 Q CA -1.886 54.068 55.803 0.251 0.000 0.842 124 Q CB 2.016 30.878 28.738 0.206 0.000 1.262 124 Q HN 0.205 nan 8.270 nan 0.000 0.451 125 P HA -0.415 nan 4.420 nan 0.000 0.227 125 P C 1.090 178.303 177.300 -0.145 0.000 1.106 125 P CA 2.740 65.804 63.100 -0.061 0.000 0.998 125 P CB -0.249 31.442 31.700 -0.014 0.000 0.769 126 S N -0.466 115.186 115.700 -0.081 0.000 2.380 126 S HA -0.255 4.215 4.470 -0.001 0.000 0.229 126 S C 1.755 176.360 174.600 0.009 0.000 1.043 126 S CA 2.029 60.186 58.200 -0.072 0.000 1.038 126 S CB -1.455 61.721 63.200 -0.040 0.000 0.872 126 S HN 0.142 nan 8.310 nan 0.000 0.456 127 D N 0.420 120.878 120.400 0.098 0.000 2.092 127 D HA -0.117 4.522 4.640 -0.001 0.000 0.193 127 D C 1.585 177.965 176.300 0.134 0.000 0.994 127 D CA 1.166 55.299 54.000 0.222 0.000 0.828 127 D CB -0.571 40.407 40.800 0.296 0.000 0.963 127 D HN 0.610 nan 8.370 nan 0.000 0.450 128 W N 2.198 123.395 121.300 -0.172 0.000 2.325 128 W HA -0.235 4.424 4.660 -0.001 0.000 0.299 128 W C 2.197 178.574 176.519 -0.237 0.000 1.215 128 W CA 1.594 58.744 57.345 -0.325 0.000 1.244 128 W CB -0.111 28.824 29.460 -0.876 0.000 1.140 128 W HN 0.116 nan 8.180 nan 0.000 0.523 129 Q N -0.509 119.224 119.800 -0.113 0.000 1.993 129 Q HA -0.327 4.012 4.340 -0.001 0.000 0.202 129 Q C 2.474 178.419 176.000 -0.091 0.000 0.984 129 Q CA 2.163 57.891 55.803 -0.125 0.000 0.837 129 Q CB -1.409 27.256 28.738 -0.122 0.000 0.902 129 Q HN 0.409 nan 8.270 nan 0.000 0.423 130 Y N 0.951 121.148 120.300 -0.171 0.000 2.014 130 Y HA -0.351 4.198 4.550 -0.001 0.000 0.272 130 Y C 2.132 177.925 175.900 -0.179 0.000 1.164 130 Y CA 1.995 60.001 58.100 -0.157 0.000 1.114 130 Y CB -0.242 38.138 38.460 -0.134 0.000 0.961 130 Y HN 0.195 nan 8.280 nan 0.000 0.489 131 I N -0.287 120.109 120.570 -0.291 0.000 2.091 131 I HA -0.465 3.704 4.170 -0.001 0.000 0.239 131 I C 2.604 178.444 176.117 -0.461 0.000 1.061 131 I CA 1.709 62.736 61.300 -0.455 0.000 1.317 131 I CB -0.916 36.830 38.000 -0.424 0.000 1.031 131 I HN 0.434 nan 8.210 nan 0.000 0.401 132 C N 0.631 119.613 119.300 -0.530 0.000 2.425 132 C HA -0.129 4.330 4.460 -0.001 0.000 0.277 132 C C 2.522 177.377 174.990 -0.226 0.000 1.280 132 C CA 0.765 59.536 59.018 -0.412 0.000 1.744 132 C CB -1.473 26.008 27.740 -0.432 0.000 1.989 132 C HN 0.545 nan 8.230 nan 0.000 0.491 133 N N 0.159 118.746 118.700 -0.188 0.000 2.457 133 N HA -0.044 4.695 4.740 -0.001 0.000 0.180 133 N C 1.502 176.938 175.510 -0.123 0.000 1.050 133 N CA 1.196 54.177 53.050 -0.115 0.000 0.906 133 N CB -0.126 38.319 38.487 -0.070 0.000 0.968 133 N HN 0.566 nan 8.380 nan 0.000 0.445 134 T N -0.688 113.739 114.554 -0.212 0.000 2.987 134 T HA 0.260 4.609 4.350 -0.001 0.000 0.248 134 T C 0.632 175.200 174.700 -0.220 0.000 0.997 134 T CA -0.114 61.853 62.100 -0.223 0.000 1.013 134 T CB 0.686 69.337 68.868 -0.361 0.000 1.077 134 T HN -0.073 nan 8.240 nan 0.000 0.483 135 M N 1.849 121.295 119.600 -0.256 0.000 2.283 135 M HA 0.375 4.854 4.480 -0.001 0.000 0.314 135 M C 1.346 177.551 176.300 -0.158 0.000 1.153 135 M CA -0.520 54.657 55.300 -0.206 0.000 1.084 135 M CB 1.288 33.760 32.600 -0.214 0.000 1.468 135 M HN 0.101 nan 8.290 nan 0.000 0.474 136 S N -0.558 115.059 115.700 -0.138 0.000 2.505 136 S HA 0.286 4.755 4.470 -0.001 0.000 0.216 136 S C -0.124 174.432 174.600 -0.073 0.000 1.018 136 S CA -0.198 57.940 58.200 -0.103 0.000 0.911 136 S CB 0.021 63.154 63.200 -0.112 0.000 0.818 136 S HN 0.727 nan 8.310 nan 0.000 0.497 137 Q N -0.344 119.414 119.800 -0.069 0.000 2.647 137 Q HA 0.688 5.027 4.340 -0.001 0.000 0.283 137 Q C -1.859 174.157 176.000 0.028 0.000 0.943 137 Q CA -1.146 54.653 55.803 -0.006 0.000 0.813 137 Q CB 1.199 29.951 28.738 0.024 0.000 1.477 137 Q HN 0.321 nan 8.270 nan 0.000 0.393 138 L N 1.420 122.705 121.223 0.103 0.000 2.472 138 L HA 0.742 5.081 4.340 -0.001 0.000 0.260 138 L C -2.101 174.927 176.870 0.263 0.000 0.963 138 L CA -0.454 54.474 54.840 0.146 0.000 0.829 138 L CB 2.497 44.621 42.059 0.109 0.000 1.348 138 L HN 0.854 nan 8.230 nan 0.000 0.408 139 N N 2.643 121.420 118.700 0.128 0.000 2.357 139 N HA 0.523 5.262 4.740 -0.001 0.000 0.284 139 N C -1.640 173.675 175.510 -0.325 0.000 1.236 139 N CA -0.440 52.602 53.050 -0.014 0.000 0.774 139 N CB 2.194 40.704 38.487 0.039 0.000 1.534 139 N HN 0.519 nan 8.380 nan 0.000 0.478 140 L N 1.520 122.321 121.223 -0.704 0.000 2.375 140 L HA 0.384 4.723 4.340 -0.001 0.000 0.271 140 L C 1.003 177.595 176.870 -0.464 0.000 1.107 140 L CA 0.138 54.468 54.840 -0.850 0.000 0.806 140 L CB 1.421 42.575 42.059 -1.510 0.000 1.146 140 L HN 0.477 nan 8.230 nan 0.000 0.447 141 V N -0.190 119.516 119.914 -0.346 0.000 3.449 141 V HA 0.351 4.470 4.120 -0.001 0.000 0.208 141 V C 0.229 176.377 176.094 0.090 0.000 1.269 141 V CA 0.668 62.920 62.300 -0.080 0.000 1.301 141 V CB 0.987 32.752 31.823 -0.096 0.000 1.306 141 V HN 0.800 nan 8.190 nan 0.000 0.531 142 S N 0.141 115.825 115.700 -0.027 0.000 2.627 142 S HA 0.816 5.286 4.470 -0.001 0.000 0.283 142 S C -1.600 172.975 174.600 -0.042 0.000 1.127 142 S CA -0.542 57.585 58.200 -0.121 0.000 0.863 142 S CB 2.440 65.378 63.200 -0.436 0.000 1.121 142 S HN 0.394 nan 8.310 nan 0.000 0.479 143 L N 1.364 122.533 121.223 -0.090 0.000 2.470 143 L HA 0.717 5.057 4.340 -0.001 0.000 0.268 143 L C -1.920 174.896 176.870 -0.091 0.000 0.964 143 L CA -0.084 54.704 54.840 -0.087 0.000 0.839 143 L CB 1.982 43.977 42.059 -0.107 0.000 1.276 143 L HN 0.856 nan 8.230 nan 0.000 0.403 144 D N 3.884 124.256 120.400 -0.047 0.000 2.646 144 D HA 0.533 5.172 4.640 -0.001 0.000 0.245 144 D C -1.243 175.065 176.300 0.014 0.000 1.099 144 D CA -0.186 53.792 54.000 -0.037 0.000 0.849 144 D CB 2.302 43.055 40.800 -0.078 0.000 1.448 144 D HN 0.624 nan 8.370 nan 0.000 0.489 145 Q N 0.921 120.729 119.800 0.014 0.000 2.421 145 Q HA 0.513 4.853 4.340 -0.001 0.000 0.280 145 Q C -0.959 175.036 176.000 -0.009 0.000 1.085 145 Q CA -0.983 54.822 55.803 0.003 0.000 0.807 145 Q CB 3.297 32.187 28.738 0.253 0.000 1.405 145 Q HN 0.475 nan 8.270 nan 0.000 0.419 146 E N 1.196 121.376 120.200 -0.032 0.000 2.375 146 E HA 0.580 4.929 4.350 -0.001 0.000 0.280 146 E C -1.489 175.283 176.600 0.287 0.000 0.972 146 E CA -0.706 55.759 56.400 0.108 0.000 0.782 146 E CB 1.639 31.351 29.700 0.020 0.000 1.229 146 E HN 0.481 nan 8.360 nan 0.000 0.439 147 I N 3.130 123.957 120.570 0.430 0.000 2.441 147 I HA 0.631 4.800 4.170 -0.001 0.000 0.295 147 I C -0.864 175.552 176.117 0.498 0.000 0.994 147 I CA -0.860 60.688 61.300 0.414 0.000 1.144 147 I CB 1.073 39.196 38.000 0.206 0.000 1.314 147 I HN 0.638 nan 8.210 nan 0.000 0.445 148 F N 3.423 123.538 119.950 0.275 0.000 2.773 148 F HA 0.441 4.967 4.527 -0.001 0.000 0.314 148 F C -0.349 175.645 175.800 0.323 0.000 1.160 148 F CA -1.161 56.974 58.000 0.225 0.000 0.920 148 F CB 1.074 40.154 39.000 0.133 0.000 1.323 148 F HN 0.486 nan 8.300 nan 0.000 0.457 149 N N 0.945 119.879 118.700 0.389 0.000 2.726 149 N HA -0.128 4.611 4.740 -0.001 0.000 0.253 149 N C -0.985 174.685 175.510 0.266 0.000 1.059 149 N CA 0.563 53.795 53.050 0.303 0.000 0.701 149 N CB -0.399 38.255 38.487 0.278 0.000 0.899 149 N HN 0.507 nan 8.380 nan 0.000 0.548 150 V N 1.086 121.120 119.914 0.200 0.000 2.715 150 V HA 0.322 4.442 4.120 -0.001 0.000 0.299 150 V C 0.911 177.060 176.094 0.092 0.000 1.054 150 V CA -0.062 62.329 62.300 0.153 0.000 1.077 150 V CB 1.851 33.728 31.823 0.089 0.000 0.972 150 V HN 0.080 nan 8.190 nan 0.000 0.484 151 V N 5.918 125.858 119.914 0.044 0.000 2.623 151 V HA 0.508 4.627 4.120 -0.001 0.000 0.304 151 V C -0.504 175.515 176.094 -0.125 0.000 1.054 151 V CA -0.471 61.808 62.300 -0.035 0.000 0.882 151 V CB 1.833 33.621 31.823 -0.058 0.000 1.002 151 V HN 0.637 nan 8.190 nan 0.000 0.424 152 L N 4.533 125.677 121.223 -0.131 0.000 2.362 152 L HA 0.700 5.040 4.340 -0.001 0.000 0.275 152 L C -0.425 176.323 176.870 -0.204 0.000 0.998 152 L CA -0.566 54.163 54.840 -0.185 0.000 0.820 152 L CB 2.270 44.268 42.059 -0.102 0.000 1.270 152 L HN 0.580 nan 8.230 nan 0.000 0.415 153 K N 0.995 121.200 120.400 -0.325 0.000 2.477 153 K HA 0.659 4.978 4.320 -0.001 0.000 0.255 153 K C -0.932 175.700 176.600 0.054 0.000 0.952 153 K CA -0.743 55.441 56.287 -0.170 0.000 0.826 153 K CB 2.857 35.216 32.500 -0.235 0.000 1.331 153 K HN 0.647 nan 8.250 nan 0.000 0.437 154 T N -1.926 112.721 114.554 0.155 0.000 2.908 154 T HA 0.660 5.009 4.350 -0.001 0.000 0.290 154 T C -0.274 174.548 174.700 0.203 0.000 1.034 154 T CA -0.870 61.337 62.100 0.178 0.000 1.010 154 T CB 1.303 70.222 68.868 0.085 0.000 1.068 154 T HN 0.336 nan 8.240 nan 0.000 0.481 155 V N -0.185 119.814 119.914 0.142 0.000 2.628 155 V HA 0.978 5.097 4.120 -0.001 0.000 0.306 155 V C -0.179 175.891 176.094 -0.039 0.000 1.045 155 V CA -0.545 61.767 62.300 0.020 0.000 0.905 155 V CB 1.130 32.941 31.823 -0.020 0.000 0.997 155 V HN 1.391 nan 8.190 nan 0.000 0.436 156 T N 0.835 115.329 114.554 -0.101 0.000 2.883 156 T HA 0.752 5.101 4.350 -0.001 0.000 0.301 156 T C -0.796 173.834 174.700 -0.116 0.000 1.158 156 T CA -0.706 61.347 62.100 -0.078 0.000 1.007 156 T CB 2.232 71.071 68.868 -0.049 0.000 1.186 156 T HN 0.842 nan 8.240 nan 0.000 0.499 157 E N 0.233 120.383 120.200 -0.083 0.000 2.221 157 E HA 0.622 4.971 4.350 -0.001 0.000 0.268 157 E C -0.730 175.833 176.600 -0.061 0.000 0.933 157 E CA -0.819 55.530 56.400 -0.084 0.000 0.809 157 E CB 2.187 31.846 29.700 -0.068 0.000 1.190 157 E HN 0.674 nan 8.360 nan 0.000 0.406 158 Q N 0.935 120.700 119.800 -0.058 0.000 2.565 158 Q HA 0.226 4.565 4.340 -0.001 0.000 0.294 158 Q C -1.572 174.408 176.000 -0.034 0.000 1.005 158 Q CA -0.832 54.947 55.803 -0.041 0.000 0.771 158 Q CB 1.680 30.395 28.738 -0.039 0.000 1.486 158 Q HN 0.408 nan 8.270 nan 0.000 0.422 159 D N 2.363 122.748 120.400 -0.025 0.000 2.264 159 D HA 0.257 4.896 4.640 -0.001 0.000 0.250 159 D C -0.746 175.544 176.300 -0.017 0.000 1.113 159 D CA 0.043 54.031 54.000 -0.020 0.000 0.871 159 D CB 1.223 42.014 40.800 -0.016 0.000 1.167 159 D HN 0.289 nan 8.370 nan 0.000 0.447 160 L N 2.122 123.336 121.223 -0.016 0.000 2.480 160 L HA 0.315 4.654 4.340 -0.001 0.000 0.253 160 L C 0.398 177.262 176.870 -0.010 0.000 1.324 160 L CA -0.020 54.813 54.840 -0.012 0.000 0.916 160 L CB 0.152 42.204 42.059 -0.012 0.000 1.160 160 L HN 0.683 nan 8.230 nan 0.000 0.503 161 G N 1.822 110.617 108.800 -0.009 0.000 2.248 161 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.252 161 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.252 161 G C 1.004 175.899 174.900 -0.009 0.000 1.085 161 G CA 0.414 45.510 45.100 -0.007 0.000 0.845 161 G HN 1.630 nan 8.290 nan 0.000 0.494 162 G N -1.774 107.021 108.800 -0.010 0.000 2.320 162 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.242 162 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.242 162 G C 0.528 175.420 174.900 -0.013 0.000 1.033 162 G CA 1.168 46.261 45.100 -0.011 0.000 0.620 162 G HN 1.126 nan 8.290 nan 0.000 0.517 163 Q N 0.700 120.492 119.800 -0.014 0.000 2.306 163 Q HA 0.651 4.991 4.340 -0.001 0.000 0.241 163 Q C 0.307 176.295 176.000 -0.021 0.000 0.948 163 Q CA 0.419 56.213 55.803 -0.016 0.000 0.886 163 Q CB 1.475 30.204 28.738 -0.015 0.000 1.227 163 Q HN 0.898 nan 8.270 nan 0.000 0.457 164 A N 2.754 125.559 122.820 -0.025 0.000 2.253 164 A HA 0.522 4.841 4.320 -0.001 0.000 0.316 164 A C -0.252 177.308 177.584 -0.040 0.000 1.327 164 A CA -0.528 51.489 52.037 -0.033 0.000 0.917 164 A CB -0.315 18.665 19.000 -0.033 0.000 1.162 164 A HN 0.543 nan 8.150 nan 0.000 0.535 165 I N -0.588 119.952 120.570 -0.049 0.000 2.750 165 I HA 0.605 4.774 4.170 -0.001 0.000 0.308 165 I C -0.177 175.875 176.117 -0.108 0.000 1.016 165 I CA -1.105 60.158 61.300 -0.061 0.000 1.098 165 I CB 1.260 39.234 38.000 -0.043 0.000 1.279 165 I HN 0.420 nan 8.210 nan 0.000 0.454 166 K N 4.115 124.419 120.400 -0.161 0.000 2.172 166 K HA 0.655 4.974 4.320 -0.001 0.000 0.276 166 K C -1.004 175.315 176.600 -0.468 0.000 1.013 166 K CA -0.352 55.735 56.287 -0.333 0.000 0.913 166 K CB 1.429 33.674 32.500 -0.426 0.000 1.055 166 K HN 0.536 nan 8.250 nan 0.000 0.461 167 I N 3.237 123.533 120.570 -0.456 0.000 2.404 167 I HA 0.256 4.425 4.170 -0.001 0.000 0.293 167 I C -0.868 175.003 176.117 -0.410 0.000 0.992 167 I CA -0.991 60.111 61.300 -0.331 0.000 1.149 167 I CB 1.004 38.923 38.000 -0.136 0.000 1.315 167 I HN 0.471 nan 8.210 nan 0.000 0.446 168 Y N 4.508 124.837 120.300 0.047 0.000 2.331 168 Y HA 0.401 4.950 4.550 -0.001 0.000 0.338 168 Y C 0.053 175.992 175.900 0.066 0.000 0.976 168 Y CA -0.470 57.678 58.100 0.080 0.000 1.137 168 Y CB 1.121 39.645 38.460 0.108 0.000 1.172 168 Y HN 0.510 nan 8.280 nan 0.000 0.478 169 N N 1.906 120.728 118.700 0.204 0.000 2.272 169 N HA 0.257 4.996 4.740 -0.001 0.000 0.305 169 N C -1.293 174.272 175.510 0.091 0.000 1.103 169 N CA -0.970 52.151 53.050 0.118 0.000 0.791 169 N CB 1.061 39.590 38.487 0.069 0.000 1.356 169 N HN 0.553 nan 8.380 nan 0.000 0.486 170 N N 1.342 120.074 118.700 0.054 0.000 2.458 170 N HA 0.043 4.782 4.740 -0.001 0.000 0.270 170 N C -1.401 174.116 175.510 0.012 0.000 1.102 170 N CA 0.265 53.327 53.050 0.020 0.000 0.967 170 N CB 0.805 39.302 38.487 0.017 0.000 1.078 170 N HN 0.559 nan 8.380 nan 0.000 0.471 171 D N 3.701 124.098 120.400 -0.006 0.000 2.349 171 D HA 0.194 4.834 4.640 -0.001 0.000 0.232 171 D C 1.038 177.331 176.300 -0.011 0.000 1.071 171 D CA -0.399 53.598 54.000 -0.005 0.000 0.832 171 D CB 1.130 41.925 40.800 -0.009 0.000 1.086 171 D HN 0.384 nan 8.370 nan 0.000 0.504 172 L N 2.396 123.618 121.223 -0.002 0.000 2.102 172 L HA -0.052 4.287 4.340 -0.001 0.000 0.202 172 L C 2.536 179.404 176.870 -0.002 0.000 1.076 172 L CA 1.112 55.952 54.840 0.000 0.000 0.761 172 L CB -0.689 41.374 42.059 0.007 0.000 0.921 172 L HN 0.490 nan 8.230 nan 0.000 0.444 173 T N -1.291 113.262 114.554 -0.002 0.000 2.929 173 T HA 0.044 4.394 4.350 -0.001 0.000 0.271 173 T C 1.010 175.703 174.700 -0.011 0.000 1.085 173 T CA 0.424 62.521 62.100 -0.004 0.000 1.125 173 T CB -0.452 68.413 68.868 -0.004 0.000 0.874 173 T HN 0.233 nan 8.240 nan 0.000 0.494 174 A N 1.007 123.817 122.820 -0.017 0.000 2.483 174 A HA 0.502 4.822 4.320 -0.001 0.000 0.238 174 A C 0.904 178.470 177.584 -0.030 0.000 1.070 174 A CA -0.311 51.710 52.037 -0.027 0.000 0.770 174 A CB -0.460 18.520 19.000 -0.032 0.000 1.008 174 A HN 1.009 nan 8.150 nan 0.000 0.497 175 C N 1.599 120.876 119.300 -0.038 0.000 2.973 175 C HA 0.898 5.357 4.460 -0.001 0.000 0.329 175 C C -0.193 174.761 174.990 -0.061 0.000 1.327 175 C CA -0.901 58.093 59.018 -0.040 0.000 1.632 175 C CB 0.947 28.668 27.740 -0.032 0.000 2.098 175 C HN 1.095 nan 8.230 nan 0.000 0.469 176 M N 1.446 121.006 119.600 -0.067 0.000 2.664 176 M HA 0.726 5.205 4.480 -0.001 0.000 0.314 176 M C -1.415 174.823 176.300 -0.103 0.000 1.200 176 M CA -0.710 54.532 55.300 -0.097 0.000 0.916 176 M CB 2.082 34.619 32.600 -0.104 0.000 1.717 176 M HN 0.886 nan 8.290 nan 0.000 0.470 177 M N 2.897 122.423 119.600 -0.124 0.000 2.393 177 M HA 0.627 5.107 4.480 -0.001 0.000 0.316 177 M C -1.482 174.822 176.300 0.008 0.000 1.087 177 M CA -0.772 54.497 55.300 -0.051 0.000 0.937 177 M CB 2.326 34.892 32.600 -0.057 0.000 1.668 177 M HN 0.470 nan 8.290 nan 0.000 0.438 178 V N 1.555 121.445 119.914 -0.041 0.000 2.962 178 V HA 1.030 5.149 4.120 -0.001 0.000 0.313 178 V C -0.790 175.195 176.094 -0.180 0.000 1.099 178 V CA -0.748 61.442 62.300 -0.184 0.000 0.971 178 V CB 1.991 33.451 31.823 -0.605 0.000 1.028 178 V HN 0.968 nan 8.190 nan 0.000 0.430 179 A N 2.077 124.770 122.820 -0.212 0.000 2.608 179 A HA 0.882 5.201 4.320 -0.001 0.000 0.292 179 A C -1.879 175.615 177.584 -0.151 0.000 1.066 179 A CA -0.525 51.394 52.037 -0.197 0.000 0.676 179 A CB 2.034 20.871 19.000 -0.271 0.000 1.277 179 A HN 0.942 nan 8.150 nan 0.000 0.413 180 V N 1.592 121.455 119.914 -0.085 0.000 2.567 180 V HA 0.330 4.449 4.120 -0.001 0.000 0.298 180 V C -0.994 175.062 176.094 -0.064 0.000 1.047 180 V CA -0.353 61.924 62.300 -0.038 0.000 0.880 180 V CB 1.831 33.703 31.823 0.080 0.000 1.009 180 V HN 0.966 nan 8.190 nan 0.000 0.429 181 D N 3.051 123.389 120.400 -0.104 0.000 2.608 181 D HA 0.087 4.726 4.640 -0.001 0.000 0.224 181 D C 1.494 177.756 176.300 -0.062 0.000 1.123 181 D CA 0.519 54.450 54.000 -0.115 0.000 1.030 181 D CB 0.543 41.245 40.800 -0.164 0.000 1.093 181 D HN 0.605 nan 8.370 nan 0.000 0.497 182 S N 1.281 116.959 115.700 -0.037 0.000 2.481 182 S HA -0.085 4.384 4.470 -0.001 0.000 0.231 182 S C 1.255 175.840 174.600 -0.024 0.000 0.996 182 S CA 0.312 58.504 58.200 -0.013 0.000 0.942 182 S CB -0.234 62.972 63.200 0.010 0.000 0.768 182 S HN 0.497 nan 8.310 nan 0.000 0.520 183 N N 1.612 120.282 118.700 -0.050 0.000 2.280 183 N HA 0.141 4.880 4.740 -0.001 0.000 0.192 183 N C -0.794 174.671 175.510 -0.074 0.000 1.109 183 N CA -0.148 52.867 53.050 -0.057 0.000 0.855 183 N CB -0.005 38.443 38.487 -0.064 0.000 0.974 183 N HN 0.199 nan 8.380 nan 0.000 0.482 184 N N 1.570 120.224 118.700 -0.078 0.000 2.667 184 N HA -0.162 4.577 4.740 -0.001 0.000 0.263 184 N C 0.410 175.839 175.510 -0.134 0.000 1.038 184 N CA 0.333 53.332 53.050 -0.084 0.000 0.749 184 N CB -0.601 37.843 38.487 -0.072 0.000 0.892 184 N HN 0.337 nan 8.380 nan 0.000 0.546 185 I N -0.662 119.788 120.570 -0.200 0.000 2.400 185 I HA 0.007 4.176 4.170 -0.001 0.000 0.248 185 I C 1.646 177.453 176.117 -0.516 0.000 1.109 185 I CA 0.785 61.894 61.300 -0.318 0.000 1.425 185 I CB -0.405 37.401 38.000 -0.323 0.000 1.094 185 I HN 0.238 nan 8.210 nan 0.000 0.425 186 L N 1.647 122.618 121.223 -0.421 0.000 2.453 186 L HA 0.212 4.551 4.340 -0.001 0.000 0.261 186 L C -2.062 174.712 176.870 -0.160 0.000 1.179 186 L CA -1.623 52.970 54.840 -0.411 0.000 0.813 186 L CB -0.453 41.459 42.059 -0.244 0.000 1.110 186 L HN -0.107 nan 8.230 nan 0.000 0.466 187 P HA -0.025 nan 4.420 nan 0.000 0.267 187 P C -1.008 176.450 177.300 0.264 0.000 1.205 187 P CA -0.026 63.148 63.100 0.124 0.000 0.765 187 P CB 0.163 31.944 31.700 0.135 0.000 0.828 188 Y N 3.312 123.676 120.300 0.107 0.000 2.442 188 Y HA 0.300 4.849 4.550 -0.001 0.000 0.330 188 Y C 0.658 176.655 175.900 0.162 0.000 1.129 188 Y CA 0.426 58.597 58.100 0.119 0.000 1.365 188 Y CB 0.308 38.826 38.460 0.098 0.000 1.233 188 Y HN 0.302 nan 8.280 nan 0.000 0.529 189 T N 5.267 119.703 114.554 -0.196 0.000 3.198 189 T HA 0.404 4.753 4.350 -0.001 0.000 0.352 189 T C -2.919 171.635 174.700 -0.244 0.000 1.197 189 T CA -2.055 59.984 62.100 -0.101 0.000 1.427 189 T CB 0.528 69.451 68.868 0.091 0.000 0.983 189 T HN 0.319 nan 8.240 nan 0.000 0.560 190 P HA 0.258 nan 4.420 nan 0.000 0.260 190 P C 1.013 178.230 177.300 -0.138 0.000 1.185 190 P CA -0.118 62.821 63.100 -0.269 0.000 0.763 190 P CB 0.472 32.073 31.700 -0.165 0.000 0.776 191 A N 4.579 127.323 122.820 -0.126 0.000 2.066 191 A HA -0.036 4.283 4.320 -0.001 0.000 0.218 191 A C 2.073 179.637 177.584 -0.033 0.000 1.157 191 A CA 1.479 53.479 52.037 -0.062 0.000 0.670 191 A CB -1.098 17.872 19.000 -0.050 0.000 0.804 191 A HN 0.524 nan 8.150 nan 0.000 0.453 192 A N 0.287 123.081 122.820 -0.043 0.000 2.070 192 A HA -0.206 4.113 4.320 -0.001 0.000 0.220 192 A C 1.795 179.393 177.584 0.024 0.000 1.159 192 A CA 1.497 53.541 52.037 0.012 0.000 0.656 192 A CB -0.874 18.113 19.000 -0.021 0.000 0.800 192 A HN 0.728 nan 8.150 nan 0.000 0.453 193 N N -0.245 118.451 118.700 -0.006 0.000 2.205 193 N HA -0.099 4.640 4.740 -0.001 0.000 0.186 193 N C 0.415 175.929 175.510 0.006 0.000 1.015 193 N CA 1.334 54.386 53.050 0.003 0.000 0.862 193 N CB -0.015 38.470 38.487 -0.003 0.000 0.986 193 N HN 0.418 nan 8.380 nan 0.000 0.429 194 S N 0.175 115.871 115.700 -0.006 0.000 2.741 194 S HA 0.243 4.712 4.470 -0.001 0.000 0.247 194 S C -0.032 174.538 174.600 -0.051 0.000 1.050 194 S CA -0.334 57.855 58.200 -0.017 0.000 1.025 194 S CB 0.604 63.790 63.200 -0.024 0.000 0.897 194 S HN 0.174 nan 8.310 nan 0.000 0.508 195 M N 1.896 121.472 119.600 -0.039 0.000 2.206 195 M HA -0.192 4.287 4.480 -0.001 0.000 0.197 195 M C 0.160 176.252 176.300 -0.348 0.000 0.375 195 M CA 0.735 55.930 55.300 -0.174 0.000 0.410 195 M CB -1.508 30.963 32.600 -0.215 0.000 1.204 195 M HN 0.388 nan 8.290 nan 0.000 0.932 196 E N -1.996 118.148 120.200 -0.094 0.000 2.734 196 E HA 0.176 4.525 4.350 -0.001 0.000 0.211 196 E C 1.103 177.747 176.600 0.072 0.000 0.991 196 E CA 0.514 56.888 56.400 -0.043 0.000 1.065 196 E CB 0.393 30.070 29.700 -0.038 0.000 1.047 196 E HN 0.741 nan 8.360 nan 0.000 0.470 197 T N -1.180 113.508 114.554 0.224 0.000 3.092 197 T HA 0.215 4.564 4.350 -0.001 0.000 0.374 197 T C 0.479 175.215 174.700 0.061 0.000 1.190 197 T CA -0.462 61.706 62.100 0.113 0.000 1.021 197 T CB 0.501 69.449 68.868 0.133 0.000 1.556 197 T HN -0.141 nan 8.240 nan 0.000 0.540 198 L N 0.686 121.854 121.223 -0.093 0.000 2.399 198 L HA 0.584 4.924 4.340 -0.001 0.000 0.265 198 L C 1.344 178.090 176.870 -0.207 0.000 1.089 198 L CA -0.081 54.656 54.840 -0.171 0.000 0.802 198 L CB 0.197 42.068 42.059 -0.314 0.000 1.180 198 L HN 1.011 nan 8.230 nan 0.000 0.454 199 G N 0.655 109.330 108.800 -0.208 0.000 2.432 199 G HA2 0.101 4.060 3.960 -0.001 0.000 0.239 199 G HA3 0.101 4.060 3.960 -0.001 0.000 0.239 199 G C 0.500 175.348 174.900 -0.087 0.000 1.291 199 G CA -0.262 44.678 45.100 -0.266 0.000 0.863 199 G HN 0.622 nan 8.290 nan 0.000 0.560 200 F N 0.521 120.196 119.950 -0.459 0.000 2.811 200 F HA 0.147 4.673 4.527 -0.001 0.000 0.301 200 F C -0.034 175.422 175.800 -0.574 0.000 1.151 200 F CA -0.329 57.354 58.000 -0.530 0.000 1.412 200 F CB 0.073 38.679 39.000 -0.656 0.000 1.113 200 F HN 0.283 nan 8.300 nan 0.000 0.579 201 Y N 0.363 120.587 120.300 -0.127 0.000 2.328 201 Y HA 0.290 4.839 4.550 -0.001 0.000 0.333 201 Y C -1.884 173.772 175.900 -0.406 0.000 0.958 201 Y CA -2.892 54.937 58.100 -0.452 0.000 1.167 201 Y CB 0.821 38.889 38.460 -0.653 0.000 1.151 201 Y HN -0.199 nan 8.280 nan 0.000 0.470 202 P HA -0.167 nan 4.420 nan 0.000 0.215 202 P C 0.887 178.377 177.300 0.317 0.000 1.157 202 P CA 1.714 64.957 63.100 0.240 0.000 0.868 202 P CB -0.007 31.981 31.700 0.480 0.000 0.788 203 W N -0.667 120.788 121.300 0.259 0.000 3.204 203 W HA 0.235 4.894 4.660 -0.001 0.000 0.249 203 W C -0.080 176.514 176.519 0.125 0.000 1.322 203 W CA -0.199 57.252 57.345 0.177 0.000 1.593 203 W CB -0.602 28.952 29.460 0.157 0.000 1.122 203 W HN -0.198 nan 8.180 nan 0.000 0.710 204 K N 1.194 121.524 120.400 -0.116 0.000 2.397 204 K HA 0.319 4.638 4.320 -0.001 0.000 0.253 204 K C -2.456 174.080 176.600 -0.107 0.000 0.932 204 K CA -2.073 54.130 56.287 -0.139 0.000 0.795 204 K CB 2.093 34.424 32.500 -0.281 0.000 1.159 204 K HN -0.388 nan 8.250 nan 0.000 0.424 205 P HA 0.034 nan 4.420 nan 0.000 0.271 205 P C -0.566 176.647 177.300 -0.146 0.000 1.233 205 P CA 0.074 63.094 63.100 -0.134 0.000 0.795 205 P CB 0.585 32.202 31.700 -0.138 0.000 0.936 206 T N -0.643 113.817 114.554 -0.156 0.000 2.681 206 T HA 0.672 5.022 4.350 -0.001 0.000 0.296 206 T C -0.612 174.007 174.700 -0.134 0.000 1.157 206 T CA -0.308 61.706 62.100 -0.144 0.000 1.025 206 T CB 0.687 69.470 68.868 -0.142 0.000 1.441 206 T HN 0.329 nan 8.240 nan 0.000 0.504 207 I N -1.234 119.274 120.570 -0.104 0.000 3.264 207 I HA 0.973 5.142 4.170 -0.001 0.000 0.315 207 I C -0.528 175.559 176.117 -0.051 0.000 1.154 207 I CA -1.834 59.428 61.300 -0.062 0.000 0.962 207 I CB 0.842 38.816 38.000 -0.045 0.000 1.265 207 I HN 0.772 nan 8.210 nan 0.000 0.463 208 A N 0.979 123.794 122.820 -0.008 0.000 2.294 208 A HA 0.811 5.130 4.320 -0.001 0.000 0.330 208 A C -0.144 177.447 177.584 0.012 0.000 1.133 208 A CA -0.461 51.579 52.037 0.005 0.000 0.836 208 A CB 0.886 19.918 19.000 0.053 0.000 1.190 208 A HN 0.902 nan 8.150 nan 0.000 0.492 209 S N 1.794 117.498 115.700 0.007 0.000 2.537 209 S HA 0.566 5.035 4.470 -0.001 0.000 0.275 209 S C -2.507 172.100 174.600 0.012 0.000 1.272 209 S CA -1.497 56.708 58.200 0.008 0.000 1.050 209 S CB 0.660 63.859 63.200 -0.000 0.000 0.961 209 S HN 0.532 nan 8.310 nan 0.000 0.496 210 P HA 0.118 nan 4.420 nan 0.000 0.279 210 P C -1.243 175.974 177.300 -0.137 0.000 1.239 210 P CA -0.392 62.633 63.100 -0.126 0.000 0.789 210 P CB 0.279 31.829 31.700 -0.250 0.000 0.933 211 Y N 5.205 125.362 120.300 -0.239 0.000 2.480 211 Y HA 0.187 4.736 4.550 -0.001 0.000 0.341 211 Y C 0.807 176.580 175.900 -0.211 0.000 1.031 211 Y CA -0.042 57.973 58.100 -0.142 0.000 1.295 211 Y CB 0.352 38.811 38.460 -0.001 0.000 1.162 211 Y HN 0.371 nan 8.280 nan 0.000 0.523 212 R N 5.865 126.004 120.500 -0.601 0.000 2.698 212 R HA 0.588 4.928 4.340 -0.001 0.000 0.275 212 R C -2.165 173.854 176.300 -0.468 0.000 1.001 212 R CA -0.910 54.890 56.100 -0.501 0.000 0.896 212 R CB 1.896 32.041 30.300 -0.259 0.000 1.218 212 R HN 0.625 nan 8.270 nan 0.000 0.462 213 Y N -0.865 119.219 120.300 -0.360 0.000 2.534 213 Y HA 0.489 5.038 4.550 -0.001 0.000 0.345 213 Y C -1.356 174.532 175.900 -0.019 0.000 1.031 213 Y CA -1.777 56.194 58.100 -0.215 0.000 1.022 213 Y CB 0.726 39.123 38.460 -0.105 0.000 1.292 213 Y HN 0.477 nan 8.280 nan 0.000 0.459 214 Y N 2.482 122.931 120.300 0.249 0.000 2.702 214 Y HA 0.193 4.742 4.550 -0.001 0.000 0.336 214 Y C -0.110 175.991 175.900 0.335 0.000 1.235 214 Y CA 0.398 58.629 58.100 0.218 0.000 1.492 214 Y CB 0.184 38.725 38.460 0.135 0.000 1.308 214 Y HN 0.675 nan 8.280 nan 0.000 0.589 215 F N 2.385 122.511 119.950 0.293 0.000 2.556 215 F HA 0.517 5.043 4.527 -0.001 0.000 0.327 215 F C -0.724 175.170 175.800 0.156 0.000 1.059 215 F CA -1.922 56.193 58.000 0.191 0.000 0.953 215 F CB 1.041 40.089 39.000 0.080 0.000 1.227 215 F HN 0.521 nan 8.300 nan 0.000 0.478 216 C N 6.503 125.176 119.300 -1.045 0.000 2.265 216 C HA 0.827 5.287 4.460 -0.001 0.000 0.332 216 C C -0.902 173.852 174.990 -0.393 0.000 1.248 216 C CA -0.170 58.505 59.018 -0.571 0.000 1.727 216 C CB -1.336 26.124 27.740 -0.466 0.000 2.348 216 C HN 0.724 nan 8.230 nan 0.000 0.519 217 V N 4.073 123.923 119.914 -0.108 0.000 2.891 217 V HA 0.544 4.663 4.120 -0.001 0.000 0.304 217 V C -0.874 175.217 176.094 -0.004 0.000 1.171 217 V CA -0.639 61.655 62.300 -0.009 0.000 0.943 217 V CB 1.610 33.479 31.823 0.077 0.000 1.037 217 V HN 0.692 nan 8.190 nan 0.000 0.427 218 D N 3.050 123.448 120.400 -0.003 0.000 2.362 218 D HA 0.544 5.184 4.640 -0.001 0.000 0.242 218 D C -0.092 176.212 176.300 0.007 0.000 1.132 218 D CA 0.036 54.037 54.000 0.002 0.000 0.907 218 D CB 1.083 41.884 40.800 0.002 0.000 1.195 218 D HN 0.655 nan 8.370 nan 0.000 0.429 219 R N 1.554 122.060 120.500 0.011 0.000 2.584 219 R HA 0.296 4.635 4.340 -0.001 0.000 0.276 219 R C -1.969 174.344 176.300 0.022 0.000 1.046 219 R CA -0.544 55.559 56.100 0.005 0.000 0.906 219 R CB 1.706 32.002 30.300 -0.007 0.000 1.215 219 R HN 0.419 nan 8.270 nan 0.000 0.449 220 D N 3.178 123.597 120.400 0.031 0.000 2.646 220 D HA 0.516 5.155 4.640 -0.001 0.000 0.245 220 D C -1.342 175.001 176.300 0.071 0.000 1.099 220 D CA -0.490 53.533 54.000 0.038 0.000 0.849 220 D CB 1.692 42.501 40.800 0.015 0.000 1.448 220 D HN 0.333 nan 8.370 nan 0.000 0.489 221 L N 1.810 123.071 121.223 0.063 0.000 2.505 221 L HA 0.404 4.743 4.340 -0.001 0.000 0.266 221 L C -0.951 175.953 176.870 0.057 0.000 0.954 221 L CA -0.260 54.627 54.840 0.078 0.000 0.852 221 L CB 2.008 44.112 42.059 0.075 0.000 1.282 221 L HN 0.231 nan 8.230 nan 0.000 0.403 222 S N 2.184 117.926 115.700 0.069 0.000 2.632 222 S HA 0.673 5.142 4.470 -0.001 0.000 0.271 222 S C -0.569 174.044 174.600 0.022 0.000 1.260 222 S CA -0.619 57.610 58.200 0.048 0.000 1.010 222 S CB 1.534 64.781 63.200 0.077 0.000 0.965 222 S HN 0.456 nan 8.310 nan 0.000 0.534 223 V N 2.482 122.404 119.914 0.014 0.000 2.498 223 V HA 0.610 4.729 4.120 -0.001 0.000 0.279 223 V C 0.482 176.581 176.094 0.008 0.000 1.048 223 V CA -0.520 61.783 62.300 0.006 0.000 0.967 223 V CB 0.373 32.204 31.823 0.013 0.000 0.988 223 V HN 1.061 nan 8.190 nan 0.000 0.473 224 T N 1.568 116.119 114.554 -0.005 0.000 2.816 224 T HA 0.797 5.147 4.350 -0.001 0.000 0.299 224 T C -1.122 173.574 174.700 -0.006 0.000 1.230 224 T CA -0.810 61.250 62.100 -0.066 0.000 1.007 224 T CB 2.068 70.871 68.868 -0.109 0.000 1.289 224 T HN 0.901 nan 8.240 nan 0.000 0.508 225 Y N -1.559 118.719 120.300 -0.038 0.000 2.562 225 Y HA 0.753 5.303 4.550 -0.001 0.000 0.345 225 Y C 1.225 177.105 175.900 -0.034 0.000 1.045 225 Y CA -1.323 56.751 58.100 -0.044 0.000 1.028 225 Y CB 0.859 39.292 38.460 -0.045 0.000 1.297 225 Y HN 0.795 nan 8.280 nan 0.000 0.463 226 E N 1.435 121.739 120.200 0.173 0.000 2.661 226 E HA -0.361 3.988 4.350 -0.001 0.000 0.250 226 E C 0.044 176.665 176.600 0.035 0.000 1.059 226 E CA 2.970 59.431 56.400 0.100 0.000 1.381 226 E CB -0.223 29.554 29.700 0.128 0.000 1.255 226 E HN 0.800 nan 8.360 nan 0.000 0.469 227 N N -0.342 118.370 118.700 0.019 0.000 2.545 227 N HA 0.028 4.768 4.740 -0.001 0.000 0.283 227 N C -1.332 174.078 175.510 -0.168 0.000 1.596 227 N CA -0.083 52.927 53.050 -0.066 0.000 0.862 227 N CB 0.590 39.073 38.487 -0.006 0.000 1.422 227 N HN 0.276 nan 8.380 nan 0.000 0.489 228 Q N 2.039 121.562 119.800 -0.462 0.000 2.283 228 Q HA -0.071 4.268 4.340 -0.001 0.000 0.301 228 Q C 0.236 176.063 176.000 -0.287 0.000 1.063 228 Q CA 0.371 55.787 55.803 -0.645 0.000 0.952 228 Q CB 0.710 28.730 28.738 -1.198 0.000 1.166 228 Q HN 0.215 nan 8.270 nan 0.000 0.381 229 E N 3.417 123.518 120.200 -0.165 0.000 2.366 229 E HA 0.498 4.847 4.350 -0.001 0.000 0.266 229 E C 0.305 176.846 176.600 -0.098 0.000 1.051 229 E CA 0.360 56.702 56.400 -0.097 0.000 0.884 229 E CB 1.246 30.916 29.700 -0.049 0.000 1.006 229 E HN 0.844 nan 8.360 nan 0.000 0.417 230 G N 0.719 109.474 108.800 -0.075 0.000 2.297 230 G HA2 0.040 3.999 3.960 -0.001 0.000 0.209 230 G HA3 0.040 3.999 3.960 -0.001 0.000 0.209 230 G C -0.730 174.130 174.900 -0.067 0.000 1.267 230 G CA -0.180 44.882 45.100 -0.063 0.000 1.127 230 G HN 0.924 nan 8.290 nan 0.000 0.498 231 T N -1.749 112.768 114.554 -0.060 0.000 2.841 231 T HA 0.550 4.899 4.350 -0.001 0.000 0.296 231 T C -0.410 174.259 174.700 -0.052 0.000 1.166 231 T CA 0.381 62.447 62.100 -0.058 0.000 1.007 231 T CB 1.554 70.391 68.868 -0.051 0.000 1.253 231 T HN 1.444 nan 8.240 nan 0.000 0.511 232 V N 4.829 124.715 119.914 -0.048 0.000 2.229 232 V HA 0.182 4.302 4.120 -0.001 0.000 0.245 232 V C 1.723 177.801 176.094 -0.027 0.000 1.243 232 V CA -0.242 62.040 62.300 -0.029 0.000 1.176 232 V CB -0.551 31.258 31.823 -0.024 0.000 1.323 232 V HN 0.850 nan 8.190 nan 0.000 0.499 233 E N 2.444 122.635 120.200 -0.014 0.000 2.054 233 E HA -0.229 4.120 4.350 -0.001 0.000 0.225 233 E C 0.215 176.721 176.600 -0.157 0.000 1.048 233 E CA 1.900 58.273 56.400 -0.045 0.000 0.899 233 E CB -0.120 29.640 29.700 0.101 0.000 0.801 233 E HN 0.830 nan 8.360 nan 0.000 0.495 234 H N -0.651 118.424 119.070 0.010 0.000 2.492 234 H HA 0.416 4.971 4.556 -0.001 0.000 0.345 234 H C 0.019 175.369 175.328 0.037 0.000 1.136 234 H CA -0.445 55.617 56.048 0.022 0.000 1.202 234 H CB 1.110 30.885 29.762 0.022 0.000 1.524 234 H HN 0.023 nan 8.280 nan 0.000 0.506 235 N N 2.739 121.534 118.700 0.157 0.000 2.805 235 N HA 0.095 4.834 4.740 -0.001 0.000 0.216 235 N C -1.588 174.048 175.510 0.209 0.000 1.447 235 N CA -0.081 53.069 53.050 0.166 0.000 0.785 235 N CB 0.372 38.936 38.487 0.128 0.000 1.458 235 N HN 0.397 nan 8.380 nan 0.000 0.547 236 V N -0.545 119.473 119.914 0.173 0.000 3.019 236 V HA 0.807 4.926 4.120 -0.001 0.000 0.317 236 V C -0.153 175.974 176.094 0.054 0.000 1.094 236 V CA -0.901 61.488 62.300 0.148 0.000 1.000 236 V CB 2.218 34.120 31.823 0.131 0.000 1.060 236 V HN 0.274 nan 8.190 nan 0.000 0.443 237 M N 2.627 122.249 119.600 0.037 0.000 2.197 237 M HA 0.783 5.262 4.480 -0.001 0.000 0.301 237 M C 0.184 176.496 176.300 0.019 0.000 0.987 237 M CA 0.245 55.526 55.300 -0.032 0.000 0.921 237 M CB 1.261 33.807 32.600 -0.089 0.000 1.569 237 M HN 1.195 nan 8.290 nan 0.000 0.431 238 G N 1.840 110.652 108.800 0.019 0.000 2.486 238 G HA2 0.560 4.520 3.960 -0.001 0.000 0.272 238 G HA3 0.560 4.520 3.960 -0.001 0.000 0.272 238 G C -0.445 174.482 174.900 0.044 0.000 1.426 238 G CA 0.080 45.200 45.100 0.032 0.000 1.058 238 G HN 0.774 nan 8.290 nan 0.000 0.531 239 T N -2.397 112.187 114.554 0.049 0.000 2.926 239 T HA 0.631 4.980 4.350 -0.001 0.000 0.289 239 T C -2.970 171.781 174.700 0.086 0.000 1.054 239 T CA -1.584 60.556 62.100 0.065 0.000 1.015 239 T CB 1.701 70.599 68.868 0.050 0.000 1.167 239 T HN 0.245 nan 8.240 nan 0.000 0.526 240 P HA 0.193 nan 4.420 nan 0.000 0.261 240 P C -0.636 176.717 177.300 0.087 0.000 1.183 240 P CA -0.035 63.174 63.100 0.182 0.000 0.761 240 P CB 0.227 32.061 31.700 0.222 0.000 0.785 241 K N 1.929 122.350 120.400 0.036 0.000 2.130 241 K HA 0.324 4.643 4.320 -0.001 0.000 0.268 241 K C 1.624 178.236 176.600 0.021 0.000 0.983 241 K CA -0.555 55.740 56.287 0.014 0.000 0.893 241 K CB 1.315 33.805 32.500 -0.018 0.000 1.066 241 K HN 0.440 nan 8.250 nan 0.000 0.450 242 G N 2.046 110.861 108.800 0.025 0.000 2.422 242 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 242 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 242 G C 1.179 176.089 174.900 0.017 0.000 1.146 242 G CA 0.757 45.874 45.100 0.029 0.000 0.769 242 G HN 0.510 nan 8.290 nan 0.000 0.547 243 M N 0.286 119.889 119.600 0.005 0.000 2.562 243 M HA 0.126 4.606 4.480 -0.001 0.000 0.257 243 M C 0.881 177.171 176.300 -0.015 0.000 1.099 243 M CA 0.629 55.928 55.300 -0.001 0.000 1.099 243 M CB 0.300 32.899 32.600 -0.001 0.000 1.427 243 M HN 0.072 nan 8.290 nan 0.000 0.489 244 N N -0.846 117.830 118.700 -0.041 0.000 2.194 244 N HA 0.124 4.863 4.740 -0.001 0.000 0.231 244 N C -0.690 174.732 175.510 -0.146 0.000 1.247 244 N CA -0.010 52.991 53.050 -0.082 0.000 0.884 244 N CB 0.787 39.209 38.487 -0.108 0.000 1.146 244 N HN -0.095 nan 8.380 nan 0.000 0.516 245 S N 1.186 116.841 115.700 -0.075 0.000 2.455 245 S HA 0.238 4.707 4.470 -0.001 0.000 0.278 245 S C 0.045 174.688 174.600 0.071 0.000 1.216 245 S CA -0.194 58.002 58.200 -0.006 0.000 1.055 245 S CB 0.756 64.083 63.200 0.211 0.000 0.939 245 S HN 0.132 nan 8.310 nan 0.000 0.494 246 Q N 2.599 122.463 119.800 0.107 0.000 2.394 246 Q HA 0.335 4.674 4.340 -0.001 0.000 0.261 246 Q C -1.408 174.603 176.000 0.018 0.000 1.023 246 Q CA -0.112 55.637 55.803 -0.090 0.000 0.720 246 Q CB 1.627 30.217 28.738 -0.246 0.000 1.241 246 Q HN 0.763 nan 8.270 nan 0.000 0.483 247 F N 3.985 123.789 119.950 -0.243 0.000 2.361 247 F HA 0.524 5.050 4.527 -0.001 0.000 0.364 247 F C -1.375 174.267 175.800 -0.263 0.000 1.117 247 F CA -0.859 57.066 58.000 -0.126 0.000 1.071 247 F CB 0.592 39.547 39.000 -0.076 0.000 1.188 247 F HN 0.378 nan 8.300 nan 0.000 0.464 248 F N 2.911 122.906 119.950 0.076 0.000 2.507 248 F HA 0.522 5.048 4.527 -0.001 0.000 0.327 248 F C 0.363 175.889 175.800 -0.457 0.000 1.068 248 F CA -0.910 56.930 58.000 -0.267 0.000 0.965 248 F CB 2.310 41.194 39.000 -0.193 0.000 1.192 248 F HN 0.385 nan 8.300 nan 0.000 0.476 249 T N 0.102 114.489 114.554 -0.278 0.000 2.893 249 T HA 0.412 4.761 4.350 -0.001 0.000 0.291 249 T C 0.765 175.424 174.700 -0.068 0.000 1.028 249 T CA -0.783 61.119 62.100 -0.330 0.000 0.995 249 T CB 1.253 69.845 68.868 -0.460 0.000 1.051 249 T HN 0.353 nan 8.240 nan 0.000 0.470 250 I N 1.681 122.272 120.570 0.034 0.000 2.142 250 I HA -0.052 4.118 4.170 -0.001 0.000 0.240 250 I C 2.422 178.430 176.117 -0.182 0.000 1.078 250 I CA 1.343 62.460 61.300 -0.305 0.000 1.343 250 I CB -1.588 35.780 38.000 -1.054 0.000 1.046 250 I HN 0.739 nan 8.210 nan 0.000 0.405 251 E N 1.032 121.253 120.200 0.034 0.000 2.187 251 E HA -0.202 4.147 4.350 -0.001 0.000 0.199 251 E C 1.685 178.294 176.600 0.014 0.000 1.004 251 E CA 1.101 57.555 56.400 0.091 0.000 0.813 251 E CB -0.368 29.457 29.700 0.209 0.000 0.736 251 E HN 0.484 nan 8.360 nan 0.000 0.468 252 N N -0.958 117.725 118.700 -0.029 0.000 2.280 252 N HA 0.024 4.764 4.740 -0.001 0.000 0.192 252 N C 0.878 176.351 175.510 -0.061 0.000 1.109 252 N CA 1.134 54.158 53.050 -0.043 0.000 0.855 252 N CB 0.770 39.218 38.487 -0.067 0.000 0.974 252 N HN 0.323 nan 8.380 nan 0.000 0.482 253 T N -3.672 110.826 114.554 -0.094 0.000 2.966 253 T HA 0.192 4.541 4.350 -0.001 0.000 0.254 253 T C 0.596 175.220 174.700 -0.126 0.000 0.961 253 T CA -0.223 61.809 62.100 -0.114 0.000 0.915 253 T CB 0.767 69.540 68.868 -0.158 0.000 1.186 253 T HN -0.201 nan 8.240 nan 0.000 0.505 254 Q N 1.074 120.786 119.800 -0.147 0.000 2.306 254 Q HA 0.478 4.817 4.340 -0.001 0.000 0.269 254 Q C -1.065 174.880 176.000 -0.091 0.000 1.053 254 Q CA -0.615 55.102 55.803 -0.145 0.000 0.879 254 Q CB 1.810 30.408 28.738 -0.233 0.000 1.344 254 Q HN 0.463 nan 8.270 nan 0.000 0.464 255 Q N 1.317 121.079 119.800 -0.064 0.000 2.390 255 Q HA 0.354 4.694 4.340 -0.001 0.000 0.249 255 Q C -1.093 174.896 176.000 -0.018 0.000 0.996 255 Q CA -0.434 55.357 55.803 -0.021 0.000 0.899 255 Q CB 0.321 29.062 28.738 0.004 0.000 1.216 255 Q HN 0.374 nan 8.270 nan 0.000 0.465 256 I N 3.073 123.642 120.570 -0.000 0.000 2.395 256 I HA 0.193 4.363 4.170 -0.001 0.000 0.289 256 I C 0.166 176.302 176.117 0.032 0.000 1.023 256 I CA 0.167 61.481 61.300 0.024 0.000 1.350 256 I CB 1.716 39.781 38.000 0.108 0.000 1.409 256 I HN 0.433 nan 8.210 nan 0.000 0.507 257 T N 6.977 121.529 114.554 -0.003 0.000 2.795 257 T HA 0.585 4.935 4.350 -0.001 0.000 0.282 257 T C -0.245 174.448 174.700 -0.012 0.000 0.980 257 T CA -0.485 61.619 62.100 0.006 0.000 1.012 257 T CB 0.802 69.674 68.868 0.007 0.000 0.936 257 T HN 0.080 nan 8.240 nan 0.000 0.457 258 L N 4.257 125.488 121.223 0.013 0.000 2.325 258 L HA 0.684 5.023 4.340 -0.001 0.000 0.279 258 L C -0.705 176.166 176.870 0.003 0.000 1.054 258 L CA -0.553 54.287 54.840 0.000 0.000 0.804 258 L CB 1.020 43.084 42.059 0.009 0.000 1.200 258 L HN 0.532 nan 8.230 nan 0.000 0.436 259 L N 0.860 122.074 121.223 -0.014 0.000 2.516 259 L HA 0.652 4.991 4.340 -0.001 0.000 0.267 259 L C -0.288 176.582 176.870 -0.000 0.000 0.957 259 L CA -0.836 54.008 54.840 0.006 0.000 0.860 259 L CB 1.387 43.457 42.059 0.019 0.000 1.265 259 L HN 0.405 nan 8.230 nan 0.000 0.403 260 R N 0.189 120.696 120.500 0.013 0.000 2.571 260 R HA 0.386 4.725 4.340 -0.001 0.000 0.259 260 R C 1.166 177.483 176.300 0.027 0.000 1.226 260 R CA 0.043 56.149 56.100 0.011 0.000 1.157 260 R CB 0.482 30.789 30.300 0.012 0.000 1.220 260 R HN 0.833 nan 8.270 nan 0.000 0.605 261 T N -0.553 114.018 114.554 0.027 0.000 2.759 261 T HA -0.115 4.234 4.350 -0.001 0.000 0.269 261 T C 1.745 176.485 174.700 0.067 0.000 1.042 261 T CA 1.874 64.002 62.100 0.047 0.000 1.140 261 T CB -0.433 68.457 68.868 0.037 0.000 0.864 261 T HN 0.733 nan 8.240 nan 0.000 0.455 262 G N 0.860 109.693 108.800 0.054 0.000 2.572 262 G HA2 0.056 4.015 3.960 -0.001 0.000 0.216 262 G HA3 0.056 4.015 3.960 -0.001 0.000 0.216 262 G C 0.465 175.406 174.900 0.069 0.000 1.133 262 G CA -0.024 45.112 45.100 0.059 0.000 0.791 262 G HN 0.483 nan 8.290 nan 0.000 0.538 263 D N 0.351 120.793 120.400 0.071 0.000 2.411 263 D HA 0.457 5.097 4.640 -0.001 0.000 0.251 263 D C 0.310 176.683 176.300 0.122 0.000 1.201 263 D CA 0.197 54.247 54.000 0.083 0.000 0.996 263 D CB 1.314 42.158 40.800 0.073 0.000 1.101 263 D HN 0.451 nan 8.370 nan 0.000 0.504 264 E N -0.863 119.421 120.200 0.140 0.000 2.412 264 E HA 0.586 4.936 4.350 -0.001 0.000 0.279 264 E C -1.932 174.811 176.600 0.239 0.000 0.984 264 E CA -0.968 55.550 56.400 0.196 0.000 0.788 264 E CB 1.463 31.256 29.700 0.154 0.000 1.277 264 E HN 0.277 nan 8.360 nan 0.000 0.455 265 F N 1.256 121.253 119.950 0.078 0.000 2.619 265 F HA 0.872 5.399 4.527 -0.001 0.000 0.308 265 F C -1.902 173.931 175.800 0.055 0.000 1.097 265 F CA -0.123 57.906 58.000 0.048 0.000 0.953 265 F CB 2.053 41.071 39.000 0.030 0.000 1.287 265 F HN 0.928 nan 8.300 nan 0.000 0.446 266 A N 2.319 124.520 122.820 -1.032 0.000 2.572 266 A HA 0.714 5.033 4.320 -0.001 0.000 0.295 266 A C -0.780 176.241 177.584 -0.939 0.000 1.072 266 A CA -0.228 51.380 52.037 -0.714 0.000 0.691 266 A CB 1.293 20.100 19.000 -0.322 0.000 1.291 266 A HN 1.083 nan 8.150 nan 0.000 0.404 267 T N -0.434 113.867 114.554 -0.422 0.000 2.927 267 T HA 0.689 5.038 4.350 -0.001 0.000 0.281 267 T C 0.836 175.444 174.700 -0.154 0.000 0.998 267 T CA 0.122 62.094 62.100 -0.214 0.000 1.019 267 T CB 1.276 70.149 68.868 0.009 0.000 1.061 267 T HN 1.498 nan 8.240 nan 0.000 0.518 268 G N 0.283 109.027 108.800 -0.094 0.000 2.486 268 G HA2 0.465 4.424 3.960 -0.001 0.000 0.272 268 G HA3 0.465 4.424 3.960 -0.001 0.000 0.272 268 G C -0.339 174.525 174.900 -0.059 0.000 1.426 268 G CA -0.628 44.429 45.100 -0.070 0.000 1.058 268 G HN 0.854 nan 8.290 nan 0.000 0.531 269 T N -0.208 114.312 114.554 -0.057 0.000 2.837 269 T HA 0.391 4.740 4.350 -0.001 0.000 0.285 269 T C -1.219 173.400 174.700 -0.133 0.000 0.984 269 T CA 0.125 62.141 62.100 -0.140 0.000 1.049 269 T CB 1.110 69.844 68.868 -0.223 0.000 0.947 269 T HN 0.361 nan 8.240 nan 0.000 0.472 270 Y N 3.024 123.104 120.300 -0.366 0.000 2.352 270 Y HA 0.538 5.087 4.550 -0.001 0.000 0.339 270 Y C -1.625 173.958 175.900 -0.528 0.000 0.992 270 Y CA -1.460 56.421 58.100 -0.364 0.000 1.100 270 Y CB 0.726 38.927 38.460 -0.432 0.000 1.192 270 Y HN 0.577 nan 8.280 nan 0.000 0.458 271 Y N 6.089 125.890 120.300 -0.831 0.000 2.331 271 Y HA 0.423 4.972 4.550 -0.001 0.000 0.338 271 Y C -0.898 174.542 175.900 -0.767 0.000 0.992 271 Y CA -0.935 56.841 58.100 -0.540 0.000 1.121 271 Y CB 0.656 38.906 38.460 -0.351 0.000 1.184 271 Y HN 0.480 nan 8.280 nan 0.000 0.469 272 F N 1.737 121.569 119.950 -0.196 0.000 2.389 272 F HA 0.232 4.758 4.527 -0.001 0.000 0.337 272 F C 0.442 176.175 175.800 -0.111 0.000 1.112 272 F CA -0.559 57.383 58.000 -0.097 0.000 1.192 272 F CB 0.760 39.700 39.000 -0.101 0.000 1.185 272 F HN 0.388 nan 8.300 nan 0.000 0.552 273 D N 1.641 122.108 120.400 0.112 0.000 2.434 273 D HA 0.239 4.878 4.640 -0.001 0.000 0.275 273 D C -0.664 175.694 176.300 0.096 0.000 1.172 273 D CA -0.233 53.796 54.000 0.047 0.000 0.916 273 D CB 0.319 41.110 40.800 -0.015 0.000 1.041 273 D HN 0.588 nan 8.370 nan 0.000 0.501 274 T N 0.015 114.634 114.554 0.107 0.000 2.887 274 T HA 0.572 4.922 4.350 -0.001 0.000 0.292 274 T C -0.010 174.772 174.700 0.137 0.000 1.087 274 T CA -1.043 61.146 62.100 0.148 0.000 1.009 274 T CB 1.389 70.377 68.868 0.200 0.000 1.203 274 T HN 0.017 nan 8.240 nan 0.000 0.518 275 N N 1.718 120.529 118.700 0.184 0.000 2.492 275 N HA 0.538 5.277 4.740 -0.001 0.000 0.289 275 N C -2.694 172.961 175.510 0.241 0.000 1.133 275 N CA -1.602 51.528 53.050 0.133 0.000 0.961 275 N CB 1.011 39.520 38.487 0.038 0.000 1.186 275 N HN 0.456 nan 8.380 nan 0.000 0.493 276 P HA 0.215 nan 4.420 nan 0.000 0.274 276 P C -0.604 176.767 177.300 0.119 0.000 1.246 276 P CA -0.371 62.867 63.100 0.230 0.000 0.795 276 P CB 0.786 32.578 31.700 0.154 0.000 1.006 277 V N 1.720 121.720 119.914 0.143 0.000 2.540 277 V HA 0.285 4.404 4.120 -0.001 0.000 0.302 277 V C 0.252 176.371 176.094 0.042 0.000 1.035 277 V CA -0.756 61.551 62.300 0.012 0.000 0.873 277 V CB 1.574 33.371 31.823 -0.043 0.000 0.992 277 V HN 0.422 nan 8.190 nan 0.000 0.428 278 K N 4.018 124.431 120.400 0.021 0.000 2.270 278 K HA 0.459 4.778 4.320 -0.001 0.000 0.276 278 K C 0.081 176.698 176.600 0.028 0.000 1.023 278 K CA -0.281 56.019 56.287 0.022 0.000 0.955 278 K CB 0.978 33.490 32.500 0.020 0.000 0.975 278 K HN 0.532 nan 8.250 nan 0.000 0.471 279 L N 2.039 123.262 121.223 -0.001 0.000 2.872 279 L HA 0.104 4.444 4.340 -0.001 0.000 0.245 279 L C 0.560 177.439 176.870 0.015 0.000 1.211 279 L CA -0.146 54.685 54.840 -0.015 0.000 1.013 279 L CB 0.431 42.431 42.059 -0.097 0.000 1.326 279 L HN 0.622 nan 8.230 nan 0.000 0.525 280 T N -1.003 113.569 114.554 0.030 0.000 2.908 280 T HA 0.487 4.836 4.350 -0.001 0.000 0.290 280 T C -0.562 174.180 174.700 0.069 0.000 1.034 280 T CA -0.465 61.642 62.100 0.012 0.000 1.010 280 T CB 1.368 70.219 68.868 -0.028 0.000 1.068 280 T HN 0.439 nan 8.240 nan 0.000 0.481 281 H N 0.074 119.210 119.070 0.111 0.000 2.615 281 H HA 0.804 5.359 4.556 -0.001 0.000 0.346 281 H C 0.113 175.528 175.328 0.146 0.000 1.200 281 H CA -0.673 55.434 56.048 0.098 0.000 1.264 281 H CB 0.850 30.648 29.762 0.059 0.000 1.699 281 H HN 0.673 nan 8.280 nan 0.000 0.567 282 T N -1.116 113.627 114.554 0.314 0.000 2.948 282 T HA 0.247 4.596 4.350 -0.001 0.000 0.285 282 T C 0.203 175.214 174.700 0.519 0.000 1.019 282 T CA -0.490 61.771 62.100 0.269 0.000 1.013 282 T CB 1.412 70.359 68.868 0.130 0.000 1.117 282 T HN 1.025 nan 8.240 nan 0.000 0.533 283 W N -1.004 120.466 121.300 0.284 0.000 3.900 283 W HA 0.218 4.877 4.660 -0.001 0.000 0.186 283 W C -0.330 176.315 176.519 0.210 0.000 1.082 283 W CA -0.561 56.977 57.345 0.322 0.000 1.537 283 W CB -0.091 29.556 29.460 0.312 0.000 0.639 283 W HN 0.544 nan 8.180 nan 0.000 0.912 284 Q N 3.285 122.730 119.800 -0.593 0.000 2.283 284 Q HA 0.156 4.496 4.340 -0.001 0.000 0.301 284 Q C 0.692 176.648 176.000 -0.074 0.000 1.063 284 Q CA 1.386 56.865 55.803 -0.540 0.000 0.952 284 Q CB 0.874 29.158 28.738 -0.756 0.000 1.166 284 Q HN 0.135 nan 8.270 nan 0.000 0.381 285 T N -1.792 112.794 114.554 0.053 0.000 2.949 285 T HA 0.173 4.523 4.350 -0.001 0.000 0.287 285 T C 1.008 175.727 174.700 0.032 0.000 1.034 285 T CA -0.944 61.203 62.100 0.078 0.000 1.018 285 T CB 1.138 70.083 68.868 0.128 0.000 1.135 285 T HN 0.601 nan 8.240 nan 0.000 0.532 286 N N -0.040 118.678 118.700 0.030 0.000 2.396 286 N HA -0.146 4.593 4.740 -0.001 0.000 0.191 286 N C 1.282 176.798 175.510 0.010 0.000 1.015 286 N CA 0.936 53.989 53.050 0.003 0.000 0.893 286 N CB -0.048 38.448 38.487 0.015 0.000 0.956 286 N HN 0.520 nan 8.380 nan 0.000 0.445 287 R N -0.001 120.525 120.500 0.044 0.000 2.388 287 R HA 0.111 4.451 4.340 -0.001 0.000 0.247 287 R C 0.145 176.491 176.300 0.077 0.000 0.931 287 R CA 0.132 56.267 56.100 0.059 0.000 1.082 287 R CB 0.485 30.831 30.300 0.077 0.000 1.135 287 R HN 0.170 nan 8.270 nan 0.000 0.525 288 Q N 0.395 120.231 119.800 0.059 0.000 2.106 288 Q HA 0.288 4.627 4.340 -0.001 0.000 0.273 288 Q C -1.135 174.878 176.000 0.022 0.000 0.853 288 Q CA -0.015 55.834 55.803 0.077 0.000 1.118 288 Q CB 1.309 30.126 28.738 0.133 0.000 1.240 288 Q HN 0.087 nan 8.270 nan 0.000 0.445 289 L N 0.411 121.637 121.223 0.005 0.000 2.298 289 L HA 0.868 5.207 4.340 -0.001 0.000 0.284 289 L C 0.581 177.493 176.870 0.069 0.000 1.013 289 L CA -0.661 54.169 54.840 -0.017 0.000 0.824 289 L CB 1.134 43.062 42.059 -0.219 0.000 1.221 289 L HN 0.372 nan 8.230 nan 0.000 0.418 290 G N 2.799 111.752 108.800 0.254 0.000 2.447 290 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.220 290 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.220 290 G C -0.994 173.996 174.900 0.150 0.000 1.261 290 G CA -0.699 44.548 45.100 0.245 0.000 1.000 290 G HN 0.569 nan 8.290 nan 0.000 0.515 291 Q N 1.774 121.641 119.800 0.113 0.000 2.369 291 Q HA 0.404 4.743 4.340 -0.001 0.000 0.247 291 Q C -1.607 174.439 176.000 0.077 0.000 1.083 291 Q CA -1.520 54.334 55.803 0.085 0.000 0.905 291 Q CB 0.515 29.296 28.738 0.071 0.000 1.305 291 Q HN 0.509 nan 8.270 nan 0.000 0.465 292 P HA 0.054 nan 4.420 nan 0.000 0.266 292 P C -2.514 174.819 177.300 0.056 0.000 1.193 292 P CA -0.801 62.341 63.100 0.069 0.000 0.770 292 P CB -0.210 31.535 31.700 0.074 0.000 0.836 293 P HA -0.006 nan 4.420 nan 0.000 0.269 293 P C -0.263 177.052 177.300 0.025 0.000 1.211 293 P CA -0.112 63.011 63.100 0.039 0.000 0.781 293 P CB 0.175 31.895 31.700 0.033 0.000 0.877 294 L N 3.379 124.621 121.223 0.030 0.000 2.315 294 L HA 0.192 4.531 4.340 -0.001 0.000 0.283 294 L C -0.870 175.989 176.870 -0.019 0.000 1.089 294 L CA -0.184 54.671 54.840 0.025 0.000 0.833 294 L CB -0.704 41.389 42.059 0.056 0.000 1.170 294 L HN 0.091 nan 8.230 nan 0.000 0.442 295 L N 4.280 125.454 121.223 -0.082 0.000 2.439 295 L HA 0.304 4.643 4.340 -0.001 0.000 0.269 295 L C 1.368 178.151 176.870 -0.146 0.000 1.179 295 L CA 0.775 55.491 54.840 -0.207 0.000 0.828 295 L CB 0.738 42.493 42.059 -0.507 0.000 1.106 295 L HN 0.804 nan 8.230 nan 0.000 0.467 296 S N -1.905 113.718 115.700 -0.127 0.000 2.559 296 S HA 0.203 4.672 4.470 -0.001 0.000 0.226 296 S C 0.509 175.115 174.600 0.011 0.000 1.030 296 S CA 0.331 58.524 58.200 -0.013 0.000 0.956 296 S CB 0.068 63.269 63.200 0.002 0.000 0.900 296 S HN 0.780 nan 8.310 nan 0.000 0.510 297 T N -0.082 114.405 114.554 -0.113 0.000 2.971 297 T HA 0.726 5.076 4.350 -0.001 0.000 0.304 297 T C -1.258 173.334 174.700 -0.181 0.000 1.038 297 T CA -0.651 61.439 62.100 -0.017 0.000 1.007 297 T CB 0.920 69.783 68.868 -0.007 0.000 1.055 297 T HN 0.038 nan 8.240 nan 0.000 0.451 298 F N 2.645 122.598 119.950 0.006 0.000 2.420 298 F HA 0.564 5.090 4.527 -0.001 0.000 0.342 298 F C -1.993 173.808 175.800 0.002 0.000 1.113 298 F CA -2.340 55.663 58.000 0.004 0.000 1.059 298 F CB 0.888 39.890 39.000 0.003 0.000 1.128 298 F HN 0.406 nan 8.300 nan 0.000 0.475 299 P HA 0.041 nan 4.420 nan 0.000 0.265 299 P C -0.016 177.339 177.300 0.092 0.000 1.187 299 P CA 0.233 63.377 63.100 0.073 0.000 0.766 299 P CB 0.596 32.323 31.700 0.045 0.000 0.820 300 E N 0.771 121.007 120.200 0.060 0.000 2.498 300 E HA 0.348 4.697 4.350 -0.001 0.000 0.203 300 E C 0.067 176.686 176.600 0.032 0.000 1.013 300 E CA -0.133 56.295 56.400 0.048 0.000 0.927 300 E CB 0.617 30.340 29.700 0.039 0.000 1.012 300 E HN 0.457 nan 8.360 nan 0.000 0.482 301 A N 0.808 123.645 122.820 0.028 0.000 2.549 301 A HA 0.250 4.569 4.320 -0.001 0.000 0.297 301 A C -0.405 177.190 177.584 0.018 0.000 1.061 301 A CA -0.705 51.343 52.037 0.019 0.000 0.690 301 A CB 1.155 20.164 19.000 0.014 0.000 1.287 301 A HN -0.095 nan 8.150 nan 0.000 0.402 302 D N 1.449 121.857 120.400 0.014 0.000 2.417 302 D HA -0.128 4.512 4.640 -0.001 0.000 0.225 302 D C 1.648 177.953 176.300 0.008 0.000 0.983 302 D CA 2.074 56.081 54.000 0.011 0.000 0.949 302 D CB -0.069 40.736 40.800 0.008 0.000 0.879 302 D HN 0.740 nan 8.370 nan 0.000 0.520 303 T N -3.235 111.324 114.554 0.008 0.000 2.990 303 T HA 0.009 4.359 4.350 -0.001 0.000 0.249 303 T C 0.710 175.412 174.700 0.004 0.000 1.039 303 T CA -0.437 61.666 62.100 0.005 0.000 1.036 303 T CB 0.659 69.529 68.868 0.004 0.000 0.994 303 T HN -0.177 nan 8.240 nan 0.000 0.489 304 D N 2.089 122.493 120.400 0.007 0.000 2.384 304 D HA 0.627 5.266 4.640 -0.001 0.000 0.244 304 D C 0.067 176.366 176.300 -0.001 0.000 1.251 304 D CA -0.135 53.868 54.000 0.005 0.000 0.961 304 D CB 0.959 41.766 40.800 0.011 0.000 1.116 304 D HN 0.507 nan 8.370 nan 0.000 0.484 305 A N -0.656 122.159 122.820 -0.009 0.000 2.387 305 A HA 0.754 5.073 4.320 -0.001 0.000 0.303 305 A C 0.129 177.690 177.584 -0.038 0.000 1.145 305 A CA -0.303 51.722 52.037 -0.021 0.000 0.801 305 A CB 1.578 20.567 19.000 -0.020 0.000 1.342 305 A HN 0.473 nan 8.150 nan 0.000 0.440 306 G N -1.080 107.679 108.800 -0.068 0.000 2.601 306 G HA2 0.652 4.611 3.960 -0.001 0.000 0.317 306 G HA3 0.652 4.611 3.960 -0.001 0.000 0.317 306 G C -0.295 174.543 174.900 -0.103 0.000 1.246 306 G CA 0.170 45.196 45.100 -0.122 0.000 1.012 306 G HN 1.507 nan 8.290 nan 0.000 0.494 307 T N -1.981 112.497 114.554 -0.127 0.000 2.909 307 T HA 0.677 5.026 4.350 -0.001 0.000 0.299 307 T C -0.308 174.338 174.700 -0.091 0.000 1.073 307 T CA -0.760 61.291 62.100 -0.083 0.000 0.999 307 T CB 1.347 70.182 68.868 -0.054 0.000 1.098 307 T HN 0.435 nan 8.240 nan 0.000 0.477 308 L N 1.559 122.749 121.223 -0.055 0.000 2.376 308 L HA 0.680 5.019 4.340 -0.001 0.000 0.267 308 L C 1.073 177.928 176.870 -0.025 0.000 1.035 308 L CA -1.422 53.394 54.840 -0.041 0.000 0.800 308 L CB 0.931 42.979 42.059 -0.018 0.000 1.290 308 L HN 0.931 nan 8.230 nan 0.000 0.462 309 T N -1.284 113.260 114.554 -0.017 0.000 2.860 309 T HA 0.449 4.798 4.350 -0.001 0.000 0.299 309 T C 0.250 174.942 174.700 -0.014 0.000 1.045 309 T CA -0.726 61.364 62.100 -0.018 0.000 1.071 309 T CB 0.863 69.714 68.868 -0.029 0.000 0.985 309 T HN 0.707 nan 8.240 nan 0.000 0.537 310 A N 2.085 124.896 122.820 -0.015 0.000 2.546 310 A HA 0.115 4.434 4.320 -0.001 0.000 0.243 310 A C 1.600 179.194 177.584 0.016 0.000 1.063 310 A CA -0.376 51.658 52.037 -0.005 0.000 0.757 310 A CB -0.242 18.751 19.000 -0.011 0.000 0.991 310 A HN 0.956 nan 8.150 nan 0.000 0.503 311 Q N 2.519 122.348 119.800 0.049 0.000 2.217 311 Q HA -0.209 4.130 4.340 -0.001 0.000 0.209 311 Q C 1.925 178.026 176.000 0.167 0.000 0.988 311 Q CA 1.635 57.520 55.803 0.136 0.000 0.878 311 Q CB -0.268 28.594 28.738 0.206 0.000 0.909 311 Q HN 0.960 nan 8.270 nan 0.000 0.424 312 G N 0.837 109.701 108.800 0.106 0.000 2.484 312 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.218 312 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.218 312 G C 1.115 176.047 174.900 0.054 0.000 1.130 312 G CA 0.923 46.089 45.100 0.109 0.000 0.784 312 G HN 0.425 nan 8.290 nan 0.000 0.543 313 S N -1.233 114.468 115.700 0.002 0.000 2.809 313 S HA 0.423 4.892 4.470 -0.001 0.000 0.248 313 S C 0.226 174.714 174.600 -0.186 0.000 1.071 313 S CA -0.701 57.459 58.200 -0.065 0.000 1.059 313 S CB 0.558 63.728 63.200 -0.050 0.000 0.923 313 S HN 0.295 nan 8.310 nan 0.000 0.516 314 R N 1.405 121.823 120.500 -0.137 0.000 2.486 314 R HA 0.368 4.707 4.340 -0.001 0.000 0.286 314 R C -0.686 175.486 176.300 -0.213 0.000 0.999 314 R CA -0.468 55.520 56.100 -0.187 0.000 0.993 314 R CB 0.509 30.788 30.300 -0.035 0.000 1.084 314 R HN 0.390 nan 8.270 nan 0.000 0.487 315 H N 0.784 119.876 119.070 0.036 0.000 2.482 315 H HA 0.563 5.118 4.556 -0.001 0.000 0.344 315 H C 0.540 175.881 175.328 0.021 0.000 1.151 315 H CA 0.305 56.368 56.048 0.026 0.000 1.300 315 H CB 1.818 31.595 29.762 0.024 0.000 1.494 315 H HN 0.927 nan 8.280 nan 0.000 0.542 316 G N 0.213 109.101 108.800 0.147 0.000 2.350 316 G HA2 0.258 4.217 3.960 -0.001 0.000 0.276 316 G HA3 0.258 4.217 3.960 -0.001 0.000 0.276 316 G C -1.171 173.750 174.900 0.035 0.000 1.313 316 G CA -0.245 44.900 45.100 0.075 0.000 0.903 316 G HN 0.825 nan 8.290 nan 0.000 0.490 317 T N -2.385 112.174 114.554 0.009 0.000 2.956 317 T HA 0.893 5.242 4.350 -0.001 0.000 0.312 317 T C -0.217 174.460 174.700 -0.039 0.000 1.151 317 T CA 0.403 62.495 62.100 -0.014 0.000 1.024 317 T CB 1.791 70.655 68.868 -0.006 0.000 1.140 317 T HN 2.131 nan 8.240 nan 0.000 0.473 318 T N -0.574 113.943 114.554 -0.062 0.000 2.754 318 T HA 0.530 4.880 4.350 -0.001 0.000 0.296 318 T C -0.417 174.238 174.700 -0.076 0.000 1.205 318 T CA -0.918 61.130 62.100 -0.086 0.000 1.009 318 T CB 1.866 70.642 68.868 -0.154 0.000 1.368 318 T HN 0.580 nan 8.240 nan 0.000 0.509 319 Q N 0.082 119.836 119.800 -0.077 0.000 2.165 319 Q HA 0.331 4.670 4.340 -0.001 0.000 0.245 319 Q C -0.596 175.363 176.000 -0.068 0.000 0.841 319 Q CA -0.394 55.374 55.803 -0.058 0.000 1.078 319 Q CB 0.447 29.161 28.738 -0.040 0.000 1.169 319 Q HN 0.450 nan 8.270 nan 0.000 0.475 320 M N -1.051 118.484 119.600 -0.108 0.000 2.456 320 M HA 0.346 4.826 4.480 -0.001 0.000 0.324 320 M C 1.119 177.345 176.300 -0.125 0.000 1.124 320 M CA -0.494 54.734 55.300 -0.120 0.000 0.959 320 M CB 1.185 33.671 32.600 -0.191 0.000 1.692 320 M HN 0.131 nan 8.290 nan 0.000 0.444 321 G N 1.542 110.295 108.800 -0.079 0.000 2.625 321 G HA2 0.152 4.111 3.960 -0.001 0.000 0.214 321 G HA3 0.152 4.111 3.960 -0.001 0.000 0.214 321 G C 0.695 175.554 174.900 -0.068 0.000 1.132 321 G CA 0.317 45.383 45.100 -0.057 0.000 0.782 321 G HN 0.659 nan 8.290 nan 0.000 0.538 322 V N -1.462 118.373 119.914 -0.131 0.000 3.484 322 V HA 0.188 4.307 4.120 -0.001 0.000 0.304 322 V C 0.383 176.394 176.094 -0.139 0.000 1.116 322 V CA -0.129 62.092 62.300 -0.131 0.000 1.187 322 V CB 0.570 32.138 31.823 -0.426 0.000 1.062 322 V HN 0.082 nan 8.190 nan 0.000 0.489 323 N N 2.644 121.374 118.700 0.051 0.000 2.538 323 N HA 0.380 5.119 4.740 -0.001 0.000 0.291 323 N C -0.607 175.035 175.510 0.221 0.000 1.323 323 N CA -0.352 52.756 53.050 0.097 0.000 0.934 323 N CB 0.255 38.818 38.487 0.128 0.000 1.255 323 N HN 0.874 nan 8.380 nan 0.000 0.509 324 W N -1.379 119.925 121.300 0.006 0.000 2.961 324 W HA 0.739 5.398 4.660 -0.001 0.000 0.368 324 W C -1.565 174.958 176.519 0.006 0.000 1.213 324 W CA -1.017 56.328 57.345 0.000 0.000 1.173 324 W CB 0.283 29.743 29.460 0.000 0.000 1.487 324 W HN -0.230 nan 8.180 nan 0.000 0.585 325 V N 1.994 122.044 119.914 0.227 0.000 2.817 325 V HA 0.683 4.802 4.120 -0.001 0.000 0.303 325 V C -1.052 175.167 176.094 0.209 0.000 1.151 325 V CA -0.105 62.220 62.300 0.042 0.000 0.929 325 V CB 1.427 33.247 31.823 -0.005 0.000 1.030 325 V HN 1.076 nan 8.190 nan 0.000 0.427 326 S N 2.885 118.692 115.700 0.178 0.000 2.569 326 S HA 0.617 5.086 4.470 -0.001 0.000 0.280 326 S C 0.479 175.151 174.600 0.120 0.000 1.111 326 S CA -0.095 58.232 58.200 0.212 0.000 0.887 326 S CB 1.873 65.291 63.200 0.363 0.000 1.095 326 S HN 0.882 nan 8.310 nan 0.000 0.476 327 E N 1.900 122.162 120.200 0.103 0.000 2.113 327 E HA -0.216 4.134 4.350 -0.001 0.000 0.210 327 E C 2.100 178.743 176.600 0.071 0.000 1.040 327 E CA 2.533 58.979 56.400 0.077 0.000 0.847 327 E CB -0.725 29.020 29.700 0.076 0.000 0.755 327 E HN 0.866 nan 8.360 nan 0.000 0.459 328 A N -0.060 122.817 122.820 0.095 0.000 2.067 328 A HA -0.070 4.249 4.320 -0.001 0.000 0.219 328 A C 2.237 179.856 177.584 0.058 0.000 1.158 328 A CA 1.207 53.296 52.037 0.086 0.000 0.661 328 A CB -0.410 18.663 19.000 0.121 0.000 0.801 328 A HN 0.455 nan 8.150 nan 0.000 0.452 329 I N -1.844 118.752 120.570 0.043 0.000 3.854 329 I HA 0.141 4.310 4.170 -0.001 0.000 0.312 329 I C 1.012 177.095 176.117 -0.056 0.000 1.273 329 I CA -0.211 61.072 61.300 -0.029 0.000 1.298 329 I CB -0.174 37.745 38.000 -0.134 0.000 1.071 329 I HN 0.255 nan 8.210 nan 0.000 0.428 330 R N 1.222 121.707 120.500 -0.025 0.000 2.756 330 R HA -0.025 4.314 4.340 -0.001 0.000 0.264 330 R C -0.029 176.257 176.300 -0.023 0.000 1.026 330 R CA 0.366 56.452 56.100 -0.023 0.000 1.121 330 R CB 0.524 30.828 30.300 0.007 0.000 0.999 330 R HN 0.040 nan 8.270 nan 0.000 0.449 331 T N 3.202 117.742 114.554 -0.024 0.000 2.832 331 T HA 0.274 4.623 4.350 -0.001 0.000 0.296 331 T C -0.658 174.027 174.700 -0.025 0.000 0.968 331 T CA -0.454 61.631 62.100 -0.026 0.000 1.107 331 T CB 0.247 69.101 68.868 -0.024 0.000 0.916 331 T HN 0.414 nan 8.240 nan 0.000 0.517 332 R N 4.055 124.531 120.500 -0.039 0.000 2.807 332 R HA 0.370 4.709 4.340 -0.001 0.000 0.276 332 R C -1.802 174.443 176.300 -0.091 0.000 0.979 332 R CA -2.090 53.969 56.100 -0.068 0.000 0.928 332 R CB -0.301 29.956 30.300 -0.072 0.000 1.191 332 R HN 0.397 nan 8.270 nan 0.000 0.471 333 P HA -0.131 nan 4.420 nan 0.000 0.214 333 P C -0.205 177.025 177.300 -0.116 0.000 1.169 333 P CA 1.812 64.820 63.100 -0.155 0.000 0.908 333 P CB 0.307 31.817 31.700 -0.316 0.000 0.791 334 A N -2.121 120.622 122.820 -0.128 0.000 2.534 334 A HA 0.510 4.830 4.320 -0.001 0.000 0.300 334 A C -1.484 176.066 177.584 -0.056 0.000 1.223 334 A CA -0.565 51.425 52.037 -0.078 0.000 0.666 334 A CB 0.564 19.522 19.000 -0.070 0.000 1.316 334 A HN 0.021 nan 8.150 nan 0.000 0.468 335 Q N 0.866 120.654 119.800 -0.021 0.000 2.340 335 Q HA 0.569 4.908 4.340 -0.001 0.000 0.259 335 Q C -1.633 174.399 176.000 0.054 0.000 0.964 335 Q CA -0.483 55.329 55.803 0.015 0.000 0.900 335 Q CB 1.167 29.922 28.738 0.028 0.000 1.228 335 Q HN 0.494 nan 8.270 nan 0.000 0.449 336 V N 4.816 124.764 119.914 0.056 0.000 2.372 336 V HA 0.586 4.705 4.120 -0.001 0.000 0.261 336 V C 0.775 176.958 176.094 0.148 0.000 1.055 336 V CA 0.682 63.040 62.300 0.097 0.000 0.930 336 V CB -0.232 31.627 31.823 0.060 0.000 1.031 336 V HN 1.044 nan 8.190 nan 0.000 0.479 337 G N 4.870 113.805 108.800 0.225 0.000 2.757 337 G HA2 0.002 3.961 3.960 -0.001 0.000 0.638 337 G HA3 0.002 3.961 3.960 -0.001 0.000 0.638 337 G C -0.908 174.226 174.900 0.388 0.000 1.344 337 G CA -0.161 45.110 45.100 0.285 0.000 0.855 337 G HN 1.794 nan 8.290 nan 0.000 0.537 338 F N -3.246 116.662 119.950 -0.070 0.000 2.744 338 F HA 0.581 5.107 4.527 -0.001 0.000 0.311 338 F C -0.082 175.641 175.800 -0.128 0.000 1.144 338 F CA -1.541 56.410 58.000 -0.081 0.000 0.938 338 F CB 0.434 39.399 39.000 -0.059 0.000 1.292 338 F HN 0.792 nan 8.300 nan 0.000 0.444 339 C N 2.535 121.677 119.300 -0.263 0.000 2.499 339 C HA 0.404 4.863 4.460 -0.001 0.000 0.386 339 C C -0.175 174.472 174.990 -0.572 0.000 1.293 339 C CA -0.269 58.520 59.018 -0.382 0.000 1.884 339 C CB 0.036 27.687 27.740 -0.149 0.000 2.509 339 C HN 0.660 nan 8.230 nan 0.000 0.566 340 Q N 4.839 124.250 119.800 -0.648 0.000 2.293 340 Q HA 0.354 4.693 4.340 -0.001 0.000 0.261 340 Q C -2.384 173.345 176.000 -0.453 0.000 0.960 340 Q CA -1.714 53.742 55.803 -0.577 0.000 0.882 340 Q CB 1.717 30.084 28.738 -0.619 0.000 1.275 340 Q HN 0.532 nan 8.270 nan 0.000 0.445 341 P HA -0.065 nan 4.420 nan 0.000 0.266 341 P C -1.171 176.100 177.300 -0.049 0.000 1.215 341 P CA 0.362 63.387 63.100 -0.125 0.000 0.763 341 P CB 0.153 31.826 31.700 -0.044 0.000 0.806 342 H N 1.166 120.208 119.070 -0.045 0.000 2.458 342 H HA 0.363 4.918 4.556 -0.001 0.000 0.330 342 H C -0.006 175.329 175.328 0.013 0.000 1.111 342 H CA -1.149 54.880 56.048 -0.032 0.000 1.245 342 H CB 0.369 30.114 29.762 -0.029 0.000 1.456 342 H HN 0.221 nan 8.280 nan 0.000 0.488 343 N N 1.074 119.862 118.700 0.146 0.000 2.746 343 N HA -0.200 4.540 4.740 -0.001 0.000 0.250 343 N C -1.327 174.310 175.510 0.212 0.000 1.055 343 N CA 0.999 54.139 53.050 0.150 0.000 0.699 343 N CB -1.011 37.595 38.487 0.198 0.000 0.919 343 N HN 0.778 nan 8.380 nan 0.000 0.548 344 D N 0.381 120.816 120.400 0.058 0.000 2.380 344 D HA 0.220 4.859 4.640 -0.001 0.000 0.230 344 D C -0.571 175.687 176.300 -0.071 0.000 1.154 344 D CA -0.120 53.910 54.000 0.049 0.000 0.859 344 D CB -0.081 40.715 40.800 -0.007 0.000 1.045 344 D HN 0.212 nan 8.370 nan 0.000 0.495 345 F N 2.433 122.319 119.950 -0.107 0.000 2.404 345 F HA 0.339 4.865 4.527 -0.001 0.000 0.345 345 F C 1.288 176.897 175.800 -0.319 0.000 1.110 345 F CA -0.466 57.413 58.000 -0.202 0.000 1.130 345 F CB 1.195 40.111 39.000 -0.140 0.000 1.129 345 F HN 0.235 nan 8.300 nan 0.000 0.500 346 E N 1.588 121.458 120.200 -0.549 0.000 2.396 346 E HA 0.904 5.253 4.350 -0.001 0.000 0.251 346 E C -1.162 174.993 176.600 -0.742 0.000 0.949 346 E CA -1.483 54.578 56.400 -0.566 0.000 0.834 346 E CB 2.209 31.582 29.700 -0.546 0.000 1.309 346 E HN 0.587 nan 8.360 nan 0.000 0.405 347 A N 0.393 122.973 122.820 -0.400 0.000 2.590 347 A HA 0.624 4.943 4.320 -0.001 0.000 0.296 347 A C -1.107 176.497 177.584 0.035 0.000 1.050 347 A CA -0.244 51.699 52.037 -0.157 0.000 0.697 347 A CB 1.854 20.793 19.000 -0.101 0.000 1.277 347 A HN 0.405 nan 8.150 nan 0.000 0.411 348 S N -0.533 115.241 115.700 0.123 0.000 2.663 348 S HA 0.361 4.830 4.470 -0.001 0.000 0.264 348 S C -0.322 174.344 174.600 0.110 0.000 1.112 348 S CA -0.425 57.849 58.200 0.123 0.000 0.823 348 S CB 0.649 63.961 63.200 0.188 0.000 1.111 348 S HN 0.782 nan 8.310 nan 0.000 0.476 349 R N 0.678 121.218 120.500 0.066 0.000 2.362 349 R HA 0.124 4.463 4.340 -0.001 0.000 0.204 349 R C 0.835 177.156 176.300 0.035 0.000 1.088 349 R CA 0.915 57.037 56.100 0.036 0.000 1.121 349 R CB -0.480 29.829 30.300 0.015 0.000 0.954 349 R HN 0.543 nan 8.270 nan 0.000 0.478 350 A N -0.670 122.187 122.820 0.061 0.000 2.596 350 A HA 0.441 4.761 4.320 -0.001 0.000 0.276 350 A C 0.352 177.989 177.584 0.089 0.000 0.962 350 A CA 0.221 52.290 52.037 0.053 0.000 1.010 350 A CB 0.855 19.872 19.000 0.027 0.000 1.220 350 A HN 0.369 nan 8.150 nan 0.000 0.549 351 G N -0.230 108.647 108.800 0.128 0.000 2.302 351 G HA2 0.301 4.260 3.960 -0.001 0.000 0.276 351 G HA3 0.301 4.260 3.960 -0.001 0.000 0.276 351 G C -3.676 171.337 174.900 0.188 0.000 1.316 351 G CA -0.021 45.154 45.100 0.126 0.000 0.988 351 G HN 0.217 nan 8.290 nan 0.000 0.479 352 P HA 0.840 nan 4.420 nan 0.000 0.288 352 P C -1.382 176.048 177.300 0.217 0.000 1.300 352 P CA -0.600 62.549 63.100 0.081 0.000 0.910 352 P CB 1.717 33.483 31.700 0.111 0.000 1.256 353 F N -3.363 116.662 119.950 0.125 0.000 2.769 353 F HA 0.650 5.176 4.527 -0.001 0.000 0.313 353 F C -1.737 173.917 175.800 -0.244 0.000 1.146 353 F CA -1.676 56.324 58.000 0.000 0.000 0.934 353 F CB 0.291 39.267 39.000 -0.040 0.000 1.283 353 F HN 0.329 nan 8.300 nan 0.000 0.443 354 A N 1.866 124.544 122.820 -0.238 0.000 2.347 354 A HA 0.716 5.035 4.320 -0.001 0.000 0.287 354 A C 0.323 177.853 177.584 -0.091 0.000 1.199 354 A CA -0.057 51.625 52.037 -0.591 0.000 0.851 354 A CB -0.498 18.129 19.000 -0.622 0.000 1.118 354 A HN 1.722 nan 8.150 nan 0.000 0.525 355 A N 5.802 128.559 122.820 -0.105 0.000 2.524 355 A HA 0.497 4.816 4.320 -0.001 0.000 0.250 355 A C -1.649 175.917 177.584 -0.029 0.000 1.078 355 A CA -0.877 51.192 52.037 0.053 0.000 0.761 355 A CB -0.466 18.537 19.000 0.005 0.000 1.012 355 A HN 0.723 nan 8.150 nan 0.000 0.500 356 P HA 0.251 nan 4.420 nan 0.000 0.269 356 P C -0.744 176.525 177.300 -0.052 0.000 1.215 356 P CA -0.033 63.043 63.100 -0.040 0.000 0.780 356 P CB 0.657 32.335 31.700 -0.038 0.000 0.898 357 K N 0.967 121.333 120.400 -0.057 0.000 2.221 357 K HA 0.397 4.717 4.320 -0.001 0.000 0.258 357 K C -0.755 175.807 176.600 -0.063 0.000 0.944 357 K CA -0.889 55.349 56.287 -0.081 0.000 0.823 357 K CB 1.545 33.993 32.500 -0.085 0.000 1.113 357 K HN 0.114 nan 8.250 nan 0.000 0.431 358 V N 5.623 125.483 119.914 -0.089 0.000 2.470 358 V HA 0.152 4.271 4.120 -0.001 0.000 0.276 358 V C -1.994 174.074 176.094 -0.043 0.000 1.040 358 V CA -1.505 60.762 62.300 -0.055 0.000 1.008 358 V CB 0.620 32.383 31.823 -0.100 0.000 0.990 358 V HN 0.665 nan 8.190 nan 0.000 0.477 359 P HA 0.412 nan 4.420 nan 0.000 0.270 359 P C -0.399 176.928 177.300 0.046 0.000 1.227 359 P CA 0.288 63.423 63.100 0.058 0.000 0.788 359 P CB 0.627 32.413 31.700 0.145 0.000 0.926 360 A N 0.515 123.356 122.820 0.035 0.000 2.544 360 A HA 0.442 4.761 4.320 -0.001 0.000 0.291 360 A C -1.346 176.237 177.584 -0.000 0.000 1.055 360 A CA -0.560 51.490 52.037 0.023 0.000 0.651 360 A CB 0.138 19.135 19.000 -0.005 0.000 1.296 360 A HN 0.478 nan 8.150 nan 0.000 0.431 361 D N -0.194 120.206 120.400 0.001 0.000 2.382 361 D HA 0.308 4.947 4.640 -0.001 0.000 0.240 361 D C 1.281 177.606 176.300 0.042 0.000 1.146 361 D CA 0.456 54.466 54.000 0.016 0.000 0.897 361 D CB 0.418 41.285 40.800 0.112 0.000 1.197 361 D HN 0.673 nan 8.370 nan 0.000 0.432 362 I N -0.604 119.992 120.570 0.044 0.000 3.728 362 I HA 0.131 4.300 4.170 -0.001 0.000 0.307 362 I C 1.036 177.183 176.117 0.050 0.000 1.276 362 I CA 0.284 61.603 61.300 0.033 0.000 1.285 362 I CB -1.192 36.812 38.000 0.008 0.000 1.038 362 I HN 0.676 nan 8.210 nan 0.000 0.445 363 T N 0.497 115.100 114.554 0.081 0.000 11.211 363 T HA -0.398 3.951 4.350 -0.001 0.000 0.581 363 T C 0.668 175.389 174.700 0.036 0.000 1.288 363 T CA 1.884 64.025 62.100 0.068 0.000 3.104 363 T CB -1.050 67.856 68.868 0.063 0.000 2.594 363 T HN 0.508 nan 8.240 nan 0.000 0.303 364 Q N 0.556 120.373 119.800 0.029 0.000 2.431 364 Q HA 0.451 4.790 4.340 -0.001 0.000 0.244 364 Q C 2.506 178.516 176.000 0.016 0.000 0.880 364 Q CA 0.937 56.746 55.803 0.010 0.000 0.954 364 Q CB -0.299 28.443 28.738 0.007 0.000 1.105 364 Q HN 0.989 nan 8.270 nan 0.000 0.558 365 G N 1.021 109.838 108.800 0.029 0.000 2.740 365 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.208 365 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.208 365 G C 0.746 175.663 174.900 0.027 0.000 1.148 365 G CA 0.570 45.689 45.100 0.032 0.000 0.795 365 G HN 0.572 nan 8.290 nan 0.000 0.526 366 V N -2.582 117.344 119.914 0.020 0.000 4.931 366 V HA -0.252 3.867 4.120 -0.001 0.000 0.254 366 V C -0.243 175.862 176.094 0.018 0.000 0.620 366 V CA 0.848 63.155 62.300 0.012 0.000 0.715 366 V CB -2.243 29.581 31.823 0.002 0.000 0.589 366 V HN 0.434 nan 8.190 nan 0.000 0.982 367 D N 1.273 121.691 120.400 0.031 0.000 2.671 367 D HA 0.095 4.734 4.640 -0.001 0.000 0.228 367 D C 1.402 177.722 176.300 0.034 0.000 1.102 367 D CA 0.363 54.390 54.000 0.044 0.000 1.044 367 D CB 0.627 41.466 40.800 0.066 0.000 1.113 367 D HN 0.726 nan 8.370 nan 0.000 0.480 368 K N 0.784 121.195 120.400 0.019 0.000 1.977 368 K HA -0.184 4.135 4.320 -0.001 0.000 0.218 368 K C 1.680 178.293 176.600 0.022 0.000 1.051 368 K CA 1.088 57.380 56.287 0.008 0.000 0.953 368 K CB 0.089 32.585 32.500 -0.005 0.000 0.727 368 K HN 0.296 nan 8.250 nan 0.000 0.445 369 E N 0.322 120.540 120.200 0.031 0.000 2.209 369 E HA -0.191 4.158 4.350 -0.001 0.000 0.196 369 E C 1.923 178.566 176.600 0.071 0.000 0.993 369 E CA 0.945 57.370 56.400 0.042 0.000 0.819 369 E CB -0.110 29.614 29.700 0.040 0.000 0.745 369 E HN 0.361 nan 8.360 nan 0.000 0.477 370 A N 1.448 124.331 122.820 0.106 0.000 2.014 370 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 370 A C 1.521 179.108 177.584 0.006 0.000 1.163 370 A CA 0.797 52.945 52.037 0.185 0.000 0.652 370 A CB 0.089 19.246 19.000 0.261 0.000 0.808 370 A HN 0.081 nan 8.150 nan 0.000 0.449 371 N N -0.456 118.238 118.700 -0.010 0.000 2.328 371 N HA 0.213 4.952 4.740 -0.001 0.000 0.247 371 N C 0.738 176.227 175.510 -0.036 0.000 1.165 371 N CA 0.674 53.690 53.050 -0.057 0.000 0.873 371 N CB 0.527 38.991 38.487 -0.038 0.000 1.125 371 N HN 0.479 nan 8.380 nan 0.000 0.513 372 G N 0.997 109.784 108.800 -0.022 0.000 2.341 372 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.292 372 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.292 372 G C 0.249 175.175 174.900 0.042 0.000 1.021 372 G CA 0.502 45.602 45.100 -0.001 0.000 0.905 372 G HN 0.301 nan 8.290 nan 0.000 0.508 373 S N -1.778 113.951 115.700 0.049 0.000 2.572 373 S HA 0.404 4.873 4.470 -0.001 0.000 0.267 373 S C 0.735 175.410 174.600 0.125 0.000 1.361 373 S CA 0.155 58.413 58.200 0.096 0.000 1.009 373 S CB 1.541 64.764 63.200 0.040 0.000 0.888 373 S HN 0.729 nan 8.310 nan 0.000 0.553 374 V N 1.925 121.978 119.914 0.232 0.000 2.495 374 V HA 0.474 4.593 4.120 -0.001 0.000 0.298 374 V C -0.003 176.186 176.094 0.159 0.000 1.031 374 V CA -0.781 61.606 62.300 0.145 0.000 0.871 374 V CB 1.597 33.483 31.823 0.105 0.000 0.988 374 V HN 0.706 nan 8.190 nan 0.000 0.432 375 R N 2.913 123.424 120.500 0.019 0.000 2.207 375 R HA 0.474 4.813 4.340 -0.001 0.000 0.334 375 R C -1.542 174.772 176.300 0.023 0.000 1.013 375 R CA -0.293 55.861 56.100 0.090 0.000 0.858 375 R CB 0.541 30.876 30.300 0.059 0.000 1.094 375 R HN 0.666 nan 8.270 nan 0.000 0.457 376 Y N 1.625 122.080 120.300 0.259 0.000 2.330 376 Y HA 0.316 4.865 4.550 -0.001 0.000 0.336 376 Y C 0.031 176.139 175.900 0.347 0.000 1.036 376 Y CA -0.315 57.970 58.100 0.309 0.000 1.125 376 Y CB 2.167 40.851 38.460 0.373 0.000 1.194 376 Y HN 0.487 nan 8.280 nan 0.000 0.469 377 S N 4.396 120.322 115.700 0.377 0.000 2.669 377 S HA 0.432 4.901 4.470 -0.001 0.000 0.315 377 S C -1.327 173.421 174.600 0.246 0.000 1.106 377 S CA -0.824 57.501 58.200 0.209 0.000 1.107 377 S CB -0.135 63.122 63.200 0.096 0.000 0.990 377 S HN 0.556 nan 8.310 nan 0.000 0.471 378 Y N 0.161 120.525 120.300 0.107 0.000 2.630 378 Y HA 0.944 5.494 4.550 -0.001 0.000 0.337 378 Y C 0.451 176.359 175.900 0.014 0.000 1.051 378 Y CA -1.517 56.611 58.100 0.048 0.000 1.121 378 Y CB 0.086 38.597 38.460 0.085 0.000 1.299 378 Y HN 0.537 nan 8.280 nan 0.000 0.498 379 G N 0.699 109.570 108.800 0.118 0.000 2.557 379 G HA2 0.266 4.226 3.960 -0.001 0.000 0.292 379 G HA3 0.266 4.226 3.960 -0.001 0.000 0.292 379 G C 0.035 175.035 174.900 0.167 0.000 1.237 379 G CA -0.999 44.129 45.100 0.046 0.000 0.978 379 G HN 0.768 nan 8.290 nan 0.000 0.498 380 K N -0.869 119.614 120.400 0.138 0.000 2.057 380 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 380 K C 2.377 179.220 176.600 0.404 0.000 1.050 380 K CA 1.235 57.693 56.287 0.285 0.000 0.935 380 K CB -0.032 32.577 32.500 0.182 0.000 0.715 380 K HN 0.586 nan 8.250 nan 0.000 0.439 381 Q N 0.338 120.275 119.800 0.229 0.000 2.500 381 Q HA -0.142 4.198 4.340 -0.001 0.000 0.213 381 Q C 0.122 176.136 176.000 0.022 0.000 0.974 381 Q CA 1.184 57.117 55.803 0.218 0.000 0.918 381 Q CB 0.198 29.008 28.738 0.120 0.000 0.980 381 Q HN 0.405 nan 8.270 nan 0.000 0.505 382 H N -2.324 116.591 119.070 -0.258 0.000 2.567 382 H HA 0.335 4.890 4.556 -0.001 0.000 0.267 382 H C 0.463 175.559 175.328 -0.386 0.000 1.148 382 H CA 0.482 56.047 56.048 -0.806 0.000 1.031 382 H CB 1.386 30.786 29.762 -0.604 0.000 1.691 382 H HN 0.326 nan 8.280 nan 0.000 0.588 383 G N -0.158 108.707 108.800 0.108 0.000 3.180 383 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.197 383 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.197 383 G C 0.268 175.402 174.900 0.390 0.000 1.149 383 G CA -0.236 44.987 45.100 0.205 0.000 0.847 383 G HN 0.364 nan 8.290 nan 0.000 0.469 384 E N 1.550 122.063 120.200 0.523 0.000 2.565 384 E HA 0.050 4.399 4.350 -0.001 0.000 0.268 384 E C 0.347 177.050 176.600 0.171 0.000 1.000 384 E CA -0.096 56.448 56.400 0.239 0.000 0.964 384 E CB 0.206 29.954 29.700 0.081 0.000 0.955 384 E HN 0.334 nan 8.360 nan 0.000 0.459 385 N N 3.232 121.970 118.700 0.062 0.000 2.454 385 N HA -0.110 4.629 4.740 -0.001 0.000 0.254 385 N C 0.032 175.611 175.510 0.114 0.000 1.228 385 N CA 0.149 53.188 53.050 -0.019 0.000 0.900 385 N CB 0.291 38.756 38.487 -0.037 0.000 1.089 385 N HN 0.529 nan 8.380 nan 0.000 0.449 386 W N 1.997 123.254 121.300 -0.072 0.000 2.905 386 W HA 0.198 4.858 4.660 -0.001 0.000 0.251 386 W C 1.861 178.295 176.519 -0.142 0.000 1.305 386 W CA 0.078 57.360 57.345 -0.105 0.000 1.465 386 W CB -1.407 27.980 29.460 -0.121 0.000 1.122 386 W HN 0.708 nan 8.180 nan 0.000 0.659 387 A N 0.037 122.892 122.820 0.058 0.000 2.067 387 A HA 0.010 4.329 4.320 -0.001 0.000 0.217 387 A C 1.577 179.019 177.584 -0.237 0.000 1.156 387 A CA 0.569 52.561 52.037 -0.076 0.000 0.683 387 A CB -0.646 18.329 19.000 -0.043 0.000 0.808 387 A HN -0.038 nan 8.150 nan 0.000 0.455 388 S N 0.316 115.934 115.700 -0.137 0.000 2.569 388 S HA 0.193 4.662 4.470 -0.001 0.000 0.274 388 S C 0.036 174.476 174.600 -0.266 0.000 1.353 388 S CA 0.002 58.120 58.200 -0.137 0.000 1.023 388 S CB 0.023 63.198 63.200 -0.042 0.000 0.876 388 S HN 0.586 nan 8.310 nan 0.000 0.540 389 H N -0.258 118.820 119.070 0.014 0.000 2.670 389 H HA 0.548 5.104 4.556 -0.001 0.000 0.361 389 H C 0.870 176.196 175.328 -0.004 0.000 1.169 389 H CA 0.497 56.548 56.048 0.005 0.000 1.198 389 H CB 1.179 30.943 29.762 0.004 0.000 1.700 389 H HN 0.924 nan 8.280 nan 0.000 0.542 390 G N 1.848 110.752 108.800 0.174 0.000 2.641 390 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.254 390 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.254 390 G C -1.272 173.649 174.900 0.035 0.000 1.315 390 G CA 0.049 45.194 45.100 0.076 0.000 0.907 390 G HN 0.562 nan 8.290 nan 0.000 0.572 391 P HA 0.266 nan 4.420 nan 0.000 0.224 391 P C 1.143 178.438 177.300 -0.007 0.000 1.157 391 P CA 1.372 64.470 63.100 -0.002 0.000 0.799 391 P CB -0.364 31.333 31.700 -0.005 0.000 0.809 392 A N 2.573 125.393 122.820 0.001 0.000 2.568 392 A HA -0.004 4.315 4.320 -0.001 0.000 0.273 392 A C -2.046 175.519 177.584 -0.033 0.000 0.978 392 A CA -0.150 51.882 52.037 -0.008 0.000 0.946 392 A CB -1.470 17.534 19.000 0.006 0.000 0.842 392 A HN 0.252 nan 8.150 nan 0.000 0.484 393 P HA 0.350 nan 4.420 nan 0.000 0.276 393 P C -0.161 177.045 177.300 -0.156 0.000 1.244 393 P CA -0.487 62.554 63.100 -0.098 0.000 0.801 393 P CB 0.758 32.415 31.700 -0.071 0.000 1.006 394 E N 1.456 121.457 120.200 -0.331 0.000 2.231 394 E HA 0.359 4.708 4.350 -0.001 0.000 0.277 394 E C -0.603 175.711 176.600 -0.478 0.000 0.999 394 E CA -0.657 55.503 56.400 -0.400 0.000 0.827 394 E CB 0.667 30.060 29.700 -0.512 0.000 1.101 394 E HN 0.256 nan 8.360 nan 0.000 0.393 395 R N 2.513 122.934 120.500 -0.132 0.000 2.807 395 R HA 0.473 4.812 4.340 -0.001 0.000 0.276 395 R C -1.539 174.956 176.300 0.325 0.000 0.979 395 R CA -0.876 55.283 56.100 0.097 0.000 0.928 395 R CB 1.661 32.010 30.300 0.082 0.000 1.191 395 R HN 0.513 nan 8.270 nan 0.000 0.471 396 Y N -0.256 120.251 120.300 0.345 0.000 2.544 396 Y HA 0.391 4.940 4.550 -0.001 0.000 0.342 396 Y C -1.386 174.737 175.900 0.371 0.000 1.062 396 Y CA -0.466 57.843 58.100 0.348 0.000 1.023 396 Y CB 2.682 41.394 38.460 0.420 0.000 1.308 396 Y HN 0.522 nan 8.280 nan 0.000 0.457 397 T N 5.418 119.639 114.554 -0.555 0.000 2.809 397 T HA 0.140 4.489 4.350 -0.001 0.000 0.284 397 T C -1.396 173.160 174.700 -0.239 0.000 0.992 397 T CA -0.401 61.586 62.100 -0.187 0.000 0.957 397 T CB 0.618 69.391 68.868 -0.159 0.000 0.942 397 T HN 0.610 nan 8.240 nan 0.000 0.439 398 W N 4.485 125.872 121.300 0.144 0.000 2.322 398 W HA 0.267 4.926 4.660 -0.001 0.000 0.307 398 W C -1.294 175.307 176.519 0.137 0.000 1.220 398 W CA -0.305 57.207 57.345 0.279 0.000 1.210 398 W CB 0.646 30.370 29.460 0.441 0.000 1.223 398 W HN 0.542 nan 8.180 nan 0.000 0.511 399 D N 5.276 125.278 120.400 -0.662 0.000 2.349 399 D HA 0.063 4.702 4.640 -0.001 0.000 0.232 399 D C 0.306 176.160 176.300 -0.743 0.000 1.071 399 D CA -0.173 53.526 54.000 -0.501 0.000 0.832 399 D CB 1.474 42.081 40.800 -0.323 0.000 1.086 399 D HN 0.258 nan 8.370 nan 0.000 0.504 400 E N 0.582 120.570 120.200 -0.353 0.000 2.436 400 E HA 0.006 4.355 4.350 -0.001 0.000 0.262 400 E C 0.949 177.366 176.600 -0.305 0.000 1.063 400 E CA 0.338 56.641 56.400 -0.162 0.000 0.944 400 E CB 0.746 30.474 29.700 0.046 0.000 0.950 400 E HN 0.413 nan 8.360 nan 0.000 0.444 401 T N -2.472 111.892 114.554 -0.317 0.000 3.105 401 T HA 0.040 4.389 4.350 -0.001 0.000 0.253 401 T C 0.568 174.734 174.700 -0.889 0.000 1.047 401 T CA -0.190 61.458 62.100 -0.754 0.000 0.944 401 T CB -0.138 68.416 68.868 -0.524 0.000 1.016 401 T HN 0.228 nan 8.240 nan 0.000 0.544 402 S N 1.406 116.885 115.700 -0.369 0.000 3.900 402 S HA 0.313 4.782 4.470 -0.001 0.000 0.248 402 S C 0.757 175.304 174.600 -0.088 0.000 1.310 402 S CA -0.903 57.211 58.200 -0.143 0.000 0.915 402 S CB -1.441 61.786 63.200 0.045 0.000 1.588 402 S HN 0.404 nan 8.310 nan 0.000 0.472 403 F N 1.754 121.791 119.950 0.145 0.000 2.161 403 F HA -0.023 4.503 4.527 -0.001 0.000 0.300 403 F C 2.607 178.500 175.800 0.156 0.000 1.089 403 F CA 0.800 58.883 58.000 0.138 0.000 1.282 403 F CB -0.640 38.461 39.000 0.168 0.000 1.010 403 F HN 0.627 nan 8.300 nan 0.000 0.485 404 G N -0.864 108.136 108.800 0.334 0.000 2.559 404 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.216 404 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.216 404 G C 1.248 176.249 174.900 0.167 0.000 1.126 404 G CA 0.951 46.186 45.100 0.224 0.000 0.778 404 G HN 0.441 nan 8.290 nan 0.000 0.543 405 S N -0.631 115.168 115.700 0.166 0.000 2.629 405 S HA 0.453 4.923 4.470 -0.001 0.000 0.236 405 S C 1.210 175.874 174.600 0.107 0.000 1.010 405 S CA 0.018 58.304 58.200 0.144 0.000 0.981 405 S CB 0.739 64.046 63.200 0.177 0.000 0.919 405 S HN 0.420 nan 8.310 nan 0.000 0.514 406 G N 1.565 110.433 108.800 0.113 0.000 2.684 406 G HA2 0.521 4.480 3.960 -0.001 0.000 0.255 406 G HA3 0.521 4.480 3.960 -0.001 0.000 0.255 406 G C -0.389 174.540 174.900 0.048 0.000 1.219 406 G CA -0.542 44.603 45.100 0.075 0.000 0.901 406 G HN 0.232 nan 8.290 nan 0.000 0.548 407 R N 0.150 120.661 120.500 0.017 0.000 2.538 407 R HA 0.246 4.585 4.340 -0.001 0.000 0.292 407 R C -1.664 174.651 176.300 0.025 0.000 1.008 407 R CA -0.821 55.282 56.100 0.005 0.000 0.896 407 R CB 1.999 32.263 30.300 -0.060 0.000 1.187 407 R HN 0.631 nan 8.270 nan 0.000 0.440 408 D N 2.086 122.514 120.400 0.046 0.000 2.412 408 D HA 0.070 4.709 4.640 -0.001 0.000 0.224 408 D C 0.990 177.339 176.300 0.081 0.000 1.093 408 D CA -0.112 53.926 54.000 0.063 0.000 0.850 408 D CB 1.302 42.143 40.800 0.069 0.000 1.046 408 D HN 0.574 nan 8.370 nan 0.000 0.507 409 T N 2.012 116.623 114.554 0.096 0.000 2.684 409 T HA -0.209 4.140 4.350 -0.001 0.000 0.267 409 T C 1.670 176.467 174.700 0.163 0.000 1.036 409 T CA 0.970 63.153 62.100 0.138 0.000 1.148 409 T CB -0.096 68.887 68.868 0.193 0.000 0.863 409 T HN 0.357 nan 8.240 nan 0.000 0.436 410 K N 1.113 121.587 120.400 0.124 0.000 2.152 410 K HA -0.117 4.202 4.320 -0.001 0.000 0.206 410 K C 1.615 178.290 176.600 0.126 0.000 1.048 410 K CA 1.641 57.990 56.287 0.103 0.000 0.933 410 K CB -0.204 32.335 32.500 0.065 0.000 0.721 410 K HN 0.444 nan 8.250 nan 0.000 0.447 411 D N -0.100 120.386 120.400 0.144 0.000 2.339 411 D HA 0.027 4.667 4.640 -0.001 0.000 0.217 411 D C 0.730 177.208 176.300 0.296 0.000 1.050 411 D CA 0.278 54.392 54.000 0.190 0.000 0.856 411 D CB 0.075 40.963 40.800 0.147 0.000 0.922 411 D HN 0.147 nan 8.370 nan 0.000 0.518 412 G N 0.637 109.595 108.800 0.263 0.000 2.467 412 G HA2 0.464 4.423 3.960 -0.001 0.000 0.257 412 G HA3 0.464 4.423 3.960 -0.001 0.000 0.257 412 G C -0.413 174.778 174.900 0.485 0.000 1.227 412 G CA -0.341 44.915 45.100 0.259 0.000 0.835 412 G HN 0.121 nan 8.290 nan 0.000 0.556 413 F N -0.646 119.463 119.950 0.264 0.000 2.807 413 F HA 0.711 5.237 4.527 -0.001 0.000 0.316 413 F C -1.422 174.433 175.800 0.093 0.000 1.162 413 F CA -1.779 56.293 58.000 0.121 0.000 0.910 413 F CB 1.116 40.109 39.000 -0.011 0.000 1.314 413 F HN 0.413 nan 8.300 nan 0.000 0.454 414 I N 1.968 122.681 120.570 0.238 0.000 2.545 414 I HA 0.424 4.593 4.170 -0.001 0.000 0.292 414 I C -0.741 175.492 176.117 0.195 0.000 1.040 414 I CA -0.697 60.685 61.300 0.136 0.000 1.068 414 I CB 2.163 40.183 38.000 0.033 0.000 1.251 414 I HN 0.653 nan 8.210 nan 0.000 0.424 415 Q N 2.360 122.271 119.800 0.186 0.000 2.333 415 Q HA 0.532 4.871 4.340 -0.001 0.000 0.266 415 Q C -0.358 175.691 176.000 0.081 0.000 1.053 415 Q CA -0.624 55.269 55.803 0.149 0.000 0.890 415 Q CB 2.524 31.381 28.738 0.199 0.000 1.337 415 Q HN 0.769 nan 8.270 nan 0.000 0.474 416 S N -0.673 115.063 115.700 0.062 0.000 2.745 416 S HA 0.599 5.069 4.470 -0.001 0.000 0.292 416 S C 0.721 175.348 174.600 0.044 0.000 1.127 416 S CA 0.099 58.325 58.200 0.043 0.000 1.007 416 S CB 1.136 64.353 63.200 0.028 0.000 1.165 416 S HN 0.719 nan 8.310 nan 0.000 0.544 417 A N 1.425 124.266 122.820 0.035 0.000 1.844 417 A HA 0.198 4.518 4.320 -0.001 0.000 0.214 417 A C -1.385 176.219 177.584 0.032 0.000 1.217 417 A CA 1.077 53.133 52.037 0.032 0.000 0.644 417 A CB -2.630 16.386 19.000 0.026 0.000 0.850 417 A HN 0.742 nan 8.150 nan 0.000 0.456 418 P HA 0.340 nan 4.420 nan 0.000 0.269 418 P C -0.747 176.580 177.300 0.045 0.000 1.217 418 P CA -0.054 63.066 63.100 0.033 0.000 0.783 418 P CB 0.398 32.117 31.700 0.031 0.000 0.898 419 L N 3.022 124.277 121.223 0.053 0.000 2.309 419 L HA 0.499 4.838 4.340 -0.001 0.000 0.282 419 L C -0.844 176.089 176.870 0.106 0.000 1.036 419 L CA -0.502 54.386 54.840 0.079 0.000 0.806 419 L CB 1.475 43.577 42.059 0.072 0.000 1.220 419 L HN 0.145 nan 8.230 nan 0.000 0.429 420 V N 3.184 123.168 119.914 0.117 0.000 2.540 420 V HA 0.492 4.611 4.120 -0.001 0.000 0.302 420 V C 0.952 177.130 176.094 0.139 0.000 1.035 420 V CA -0.781 61.586 62.300 0.112 0.000 0.873 420 V CB 1.089 32.951 31.823 0.065 0.000 0.992 420 V HN 0.677 nan 8.190 nan 0.000 0.428 421 V N 3.090 123.087 119.914 0.138 0.000 2.259 421 V HA -0.123 3.996 4.120 -0.001 0.000 0.245 421 V C -1.188 174.930 176.094 0.039 0.000 1.024 421 V CA 2.081 64.431 62.300 0.083 0.000 1.022 421 V CB -1.580 30.223 31.823 -0.034 0.000 0.663 421 V HN 0.896 nan 8.190 nan 0.000 0.480 422 P HA 0.380 nan 4.420 nan 0.000 0.303 422 P C -2.757 174.532 177.300 -0.017 0.000 1.350 422 P CA -1.867 61.217 63.100 -0.028 0.000 0.880 422 P CB 1.111 32.781 31.700 -0.049 0.000 1.018 423 P HA 0.372 nan 4.420 nan 0.000 0.288 423 P C -2.591 174.685 177.300 -0.040 0.000 1.267 423 P CA -1.837 61.248 63.100 -0.024 0.000 0.815 423 P CB -0.043 31.642 31.700 -0.025 0.000 0.989 424 P HA 0.038 nan 4.420 nan 0.000 0.270 424 P C 1.421 178.696 177.300 -0.042 0.000 1.223 424 P CA -0.494 62.588 63.100 -0.031 0.000 0.785 424 P CB 0.422 32.111 31.700 -0.019 0.000 0.923 425 L N 2.094 123.290 121.223 -0.044 0.000 2.089 425 L HA -0.215 4.125 4.340 -0.001 0.000 0.213 425 L C 1.121 177.962 176.870 -0.048 0.000 1.079 425 L CA 2.204 57.013 54.840 -0.052 0.000 0.758 425 L CB -0.980 41.052 42.059 -0.045 0.000 0.891 425 L HN 0.386 nan 8.230 nan 0.000 0.433 426 N N 0.226 118.905 118.700 -0.035 0.000 2.457 426 N HA -0.034 4.705 4.740 -0.001 0.000 0.180 426 N C 1.466 176.960 175.510 -0.026 0.000 1.050 426 N CA 1.035 54.068 53.050 -0.029 0.000 0.906 426 N CB -0.034 38.442 38.487 -0.019 0.000 0.968 426 N HN 0.471 nan 8.380 nan 0.000 0.445 427 G N 0.313 109.099 108.800 -0.023 0.000 3.518 427 G HA2 0.331 4.290 3.960 -0.001 0.000 0.273 427 G HA3 0.331 4.290 3.960 -0.001 0.000 0.273 427 G C 0.108 175.001 174.900 -0.012 0.000 1.199 427 G CA -0.102 44.992 45.100 -0.011 0.000 0.899 427 G HN 0.224 nan 8.290 nan 0.000 0.533 428 I N -0.199 120.349 120.570 -0.038 0.000 2.702 428 I HA 0.352 4.521 4.170 -0.001 0.000 0.287 428 I C -1.999 174.058 176.117 -0.100 0.000 1.342 428 I CA -1.114 60.158 61.300 -0.047 0.000 1.063 428 I CB 1.816 39.767 38.000 -0.082 0.000 1.331 428 I HN -0.119 nan 8.210 nan 0.000 0.427 429 L N 8.447 129.590 121.223 -0.133 0.000 2.292 429 L HA 0.737 5.076 4.340 -0.001 0.000 0.284 429 L C 0.045 176.662 176.870 -0.422 0.000 1.065 429 L CA 0.630 55.309 54.840 -0.269 0.000 0.806 429 L CB 1.319 43.192 42.059 -0.309 0.000 1.175 429 L HN 0.802 nan 8.230 nan 0.000 0.431 430 T N 0.580 114.884 114.554 -0.417 0.000 2.724 430 T HA 0.334 4.683 4.350 -0.001 0.000 0.274 430 T C 0.332 174.787 174.700 -0.409 0.000 0.984 430 T CA -0.664 61.203 62.100 -0.388 0.000 1.024 430 T CB 0.709 69.452 68.868 -0.208 0.000 1.320 430 T HN 0.598 nan 8.240 nan 0.000 0.555 431 N N 0.078 118.649 118.700 -0.214 0.000 2.623 431 N HA 0.335 5.074 4.740 -0.001 0.000 0.263 431 N C 0.632 175.758 175.510 -0.641 0.000 1.218 431 N CA 0.078 52.992 53.050 -0.226 0.000 0.949 431 N CB -0.170 38.327 38.487 0.016 0.000 1.270 431 N HN 0.660 nan 8.380 nan 0.000 0.507 432 A N -0.031 122.505 122.820 -0.473 0.000 1.937 432 A HA 0.134 4.454 4.320 -0.001 0.000 0.198 432 A C 0.387 177.909 177.584 -0.104 0.000 1.635 432 A CA -0.229 51.594 52.037 -0.357 0.000 1.111 432 A CB 0.051 18.942 19.000 -0.182 0.000 1.165 432 A HN 0.328 nan 8.150 nan 0.000 0.460 433 N N 2.018 120.677 118.700 -0.068 0.000 2.492 433 N HA 0.325 5.064 4.740 -0.001 0.000 0.262 433 N C -2.846 172.778 175.510 0.190 0.000 1.202 433 N CA -0.973 52.090 53.050 0.021 0.000 0.926 433 N CB 0.477 38.929 38.487 -0.059 0.000 1.078 433 N HN 0.182 nan 8.380 nan 0.000 0.454 434 P HA 0.296 nan 4.420 nan 0.000 0.292 434 P C -0.488 176.841 177.300 0.047 0.000 1.287 434 P CA -0.325 62.830 63.100 0.091 0.000 0.800 434 P CB 0.963 32.685 31.700 0.037 0.000 0.945 435 I N 1.589 122.179 120.570 0.033 0.000 2.566 435 I HA 0.442 4.611 4.170 -0.001 0.000 0.303 435 I C 1.628 177.749 176.117 0.007 0.000 0.983 435 I CA 0.249 61.571 61.300 0.038 0.000 1.235 435 I CB 0.149 38.190 38.000 0.068 0.000 1.386 435 I HN 0.712 nan 8.210 nan 0.000 0.494 436 G N 4.177 112.984 108.800 0.013 0.000 2.565 436 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.295 436 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.295 436 G C 0.475 175.370 174.900 -0.009 0.000 1.165 436 G CA 0.931 46.031 45.100 -0.000 0.000 0.977 436 G HN 1.001 nan 8.290 nan 0.000 0.546 437 T N -2.110 112.429 114.554 -0.026 0.000 3.262 437 T HA 0.484 4.833 4.350 -0.001 0.000 0.300 437 T C 0.181 174.854 174.700 -0.046 0.000 0.959 437 T CA 0.684 62.767 62.100 -0.028 0.000 0.936 437 T CB 0.445 69.297 68.868 -0.026 0.000 1.169 437 T HN 0.719 nan 8.240 nan 0.000 0.532 438 K N 2.456 122.818 120.400 -0.063 0.000 2.138 438 K HA 0.526 4.845 4.320 -0.001 0.000 0.263 438 K C -0.324 176.225 176.600 -0.085 0.000 0.965 438 K CA -0.763 55.471 56.287 -0.087 0.000 0.868 438 K CB 0.957 33.385 32.500 -0.120 0.000 1.083 438 K HN 0.164 nan 8.250 nan 0.000 0.443 439 N N 1.356 120.014 118.700 -0.070 0.000 2.364 439 N HA 0.067 4.806 4.740 -0.001 0.000 0.264 439 N C -0.191 175.240 175.510 -0.132 0.000 1.263 439 N CA -0.228 52.797 53.050 -0.041 0.000 0.959 439 N CB 0.286 38.778 38.487 0.007 0.000 1.204 439 N HN 0.493 nan 8.380 nan 0.000 0.550 440 D N -0.990 119.322 120.400 -0.148 0.000 2.946 440 D HA -0.166 4.473 4.640 -0.001 0.000 0.202 440 D C -0.454 175.510 176.300 -0.559 0.000 1.068 440 D CA 0.982 54.844 54.000 -0.231 0.000 1.011 440 D CB -1.077 39.657 40.800 -0.110 0.000 1.105 440 D HN 0.478 nan 8.370 nan 0.000 0.425 441 I N 1.491 121.603 120.570 -0.765 0.000 2.583 441 I HA 0.123 4.292 4.170 -0.001 0.000 0.276 441 I C -0.021 175.827 176.117 -0.447 0.000 1.089 441 I CA -0.520 60.507 61.300 -0.456 0.000 1.103 441 I CB 0.863 38.744 38.000 -0.199 0.000 1.209 441 I HN -0.072 nan 8.210 nan 0.000 0.484 442 H N 4.793 123.926 119.070 0.106 0.000 2.649 442 H HA 0.313 4.869 4.556 -0.001 0.000 0.337 442 H C 1.015 176.537 175.328 0.322 0.000 1.282 442 H CA -0.793 55.367 56.048 0.186 0.000 1.333 442 H CB 0.777 30.665 29.762 0.211 0.000 1.787 442 H HN 0.562 nan 8.280 nan 0.000 0.632 443 F N 0.185 120.231 119.950 0.160 0.000 2.154 443 F HA -0.227 4.300 4.527 -0.001 0.000 0.301 443 F C 1.893 177.786 175.800 0.156 0.000 1.087 443 F CA 1.081 59.135 58.000 0.090 0.000 1.274 443 F CB -0.650 38.330 39.000 -0.034 0.000 1.009 443 F HN 0.199 nan 8.300 nan 0.000 0.485 444 S N 1.559 117.279 115.700 0.033 0.000 2.381 444 S HA -0.313 4.156 4.470 -0.001 0.000 0.230 444 S C 1.293 176.015 174.600 0.204 0.000 1.052 444 S CA 2.187 60.334 58.200 -0.088 0.000 1.068 444 S CB -0.839 62.519 63.200 0.263 0.000 0.918 444 S HN 0.560 nan 8.310 nan 0.000 0.448 445 N N 0.797 119.699 118.700 0.337 0.000 2.443 445 N HA -0.055 4.684 4.740 -0.001 0.000 0.184 445 N C 1.153 176.786 175.510 0.204 0.000 1.037 445 N CA 1.135 54.391 53.050 0.343 0.000 0.896 445 N CB -0.057 38.513 38.487 0.139 0.000 0.959 445 N HN 0.539 nan 8.380 nan 0.000 0.442 446 V N -4.219 115.792 119.914 0.161 0.000 3.330 446 V HA 0.397 4.517 4.120 -0.001 0.000 0.309 446 V C -0.161 176.029 176.094 0.159 0.000 1.481 446 V CA -0.654 61.724 62.300 0.131 0.000 1.068 446 V CB -0.743 31.156 31.823 0.126 0.000 0.935 446 V HN -0.069 nan 8.190 nan 0.000 0.453 447 F N 3.330 123.231 119.950 -0.082 0.000 2.385 447 F HA 0.751 5.277 4.527 -0.001 0.000 0.336 447 F C -0.016 175.708 175.800 -0.128 0.000 1.100 447 F CA -1.148 56.776 58.000 -0.126 0.000 1.116 447 F CB 1.376 40.200 39.000 -0.293 0.000 1.166 447 F HN 0.265 nan 8.300 nan 0.000 0.511 448 N N 2.333 120.639 118.700 -0.655 0.000 2.577 448 N HA 0.127 4.866 4.740 -0.001 0.000 0.275 448 N C -0.598 174.529 175.510 -0.639 0.000 1.091 448 N CA -0.164 52.592 53.050 -0.489 0.000 0.843 448 N CB 1.152 39.535 38.487 -0.175 0.000 1.295 448 N HN 0.449 nan 8.380 nan 0.000 0.530 449 S N 2.220 117.558 115.700 -0.603 0.000 2.671 449 S HA 0.051 4.521 4.470 -0.001 0.000 0.220 449 S C 0.569 175.193 174.600 0.040 0.000 0.951 449 S CA -0.552 57.432 58.200 -0.360 0.000 0.932 449 S CB -0.751 62.305 63.200 -0.241 0.000 0.777 449 S HN 0.594 nan 8.310 nan 0.000 0.508 450 Y N 1.819 122.154 120.300 0.058 0.000 2.620 450 Y HA 0.423 4.973 4.550 -0.001 0.000 0.330 450 Y C 0.690 176.525 175.900 -0.108 0.000 1.186 450 Y CA 0.547 58.621 58.100 -0.043 0.000 1.467 450 Y CB -0.043 38.394 38.460 -0.039 0.000 1.262 450 Y HN 0.396 nan 8.280 nan 0.000 0.550 451 G N 4.959 113.388 108.800 -0.618 0.000 2.606 451 G HA2 0.263 4.222 3.960 -0.001 0.000 0.300 451 G HA3 0.263 4.222 3.960 -0.001 0.000 0.300 451 G C -2.633 171.973 174.900 -0.490 0.000 1.360 451 G CA -1.126 43.651 45.100 -0.538 0.000 0.783 451 G HN 0.326 nan 8.290 nan 0.000 0.484 452 P HA -0.028 nan 4.420 nan 0.000 0.217 452 P C 1.603 178.817 177.300 -0.143 0.000 1.148 452 P CA 0.945 63.922 63.100 -0.205 0.000 0.828 452 P CB 0.147 31.765 31.700 -0.137 0.000 0.783 453 L N -2.436 118.714 121.223 -0.123 0.000 2.591 453 L HA 0.083 4.422 4.340 -0.001 0.000 0.228 453 L C 0.428 177.270 176.870 -0.046 0.000 1.133 453 L CA 0.139 54.935 54.840 -0.072 0.000 0.880 453 L CB -0.873 41.152 42.059 -0.057 0.000 1.033 453 L HN -0.138 nan 8.230 nan 0.000 0.450 454 T N 1.602 116.116 114.554 -0.066 0.000 2.834 454 T HA 0.495 4.844 4.350 -0.001 0.000 0.298 454 T C 0.229 174.999 174.700 0.117 0.000 0.966 454 T CA -0.160 61.946 62.100 0.010 0.000 1.141 454 T CB 1.323 70.165 68.868 -0.043 0.000 0.905 454 T HN 0.300 nan 8.240 nan 0.000 0.535 455 A N 3.332 126.256 122.820 0.174 0.000 2.454 455 A HA 0.981 5.300 4.320 -0.001 0.000 0.302 455 A C -0.977 176.825 177.584 0.363 0.000 1.079 455 A CA -0.961 51.182 52.037 0.177 0.000 0.731 455 A CB 1.279 20.306 19.000 0.045 0.000 1.299 455 A HN 0.859 nan 8.150 nan 0.000 0.413 456 F N -1.270 118.696 119.950 0.027 0.000 2.900 456 F HA 0.716 5.242 4.527 -0.001 0.000 0.321 456 F C -0.361 175.486 175.800 0.078 0.000 1.160 456 F CA -0.609 57.427 58.000 0.060 0.000 0.890 456 F CB 0.615 39.666 39.000 0.086 0.000 1.334 456 F HN 0.570 nan 8.300 nan 0.000 0.459 457 S N -0.512 115.355 115.700 0.279 0.000 2.603 457 S HA 0.290 4.759 4.470 -0.001 0.000 0.268 457 S C -1.065 173.698 174.600 0.272 0.000 1.317 457 S CA -0.107 58.210 58.200 0.195 0.000 1.012 457 S CB 0.042 63.361 63.200 0.198 0.000 0.926 457 S HN 0.854 nan 8.310 nan 0.000 0.539 458 H N 3.625 122.746 119.070 0.086 0.000 2.552 458 H HA 0.431 4.986 4.556 -0.001 0.000 0.311 458 H C -2.102 173.308 175.328 0.137 0.000 1.071 458 H CA -1.631 54.476 56.048 0.097 0.000 1.307 458 H CB 0.808 30.577 29.762 0.013 0.000 1.416 458 H HN 0.398 nan 8.280 nan 0.000 0.464 459 P HA -0.080 nan 4.420 nan 0.000 0.261 459 P C -0.388 176.978 177.300 0.109 0.000 1.173 459 P CA 0.143 63.290 63.100 0.078 0.000 0.760 459 P CB 0.628 32.338 31.700 0.017 0.000 0.783 460 S N 3.673 119.488 115.700 0.191 0.000 2.632 460 S HA 0.516 4.985 4.470 -0.001 0.000 0.267 460 S C -2.387 172.235 174.600 0.038 0.000 1.276 460 S CA -1.217 57.078 58.200 0.159 0.000 0.998 460 S CB -0.259 63.090 63.200 0.248 0.000 0.953 460 S HN 0.288 nan 8.310 nan 0.000 0.547 461 P HA 0.364 nan 4.420 nan 0.000 0.277 461 P C -0.953 176.148 177.300 -0.332 0.000 1.240 461 P CA -0.745 62.316 63.100 -0.066 0.000 0.798 461 P CB 0.660 32.309 31.700 -0.084 0.000 0.979 462 V N 0.578 120.207 119.914 -0.474 0.000 2.409 462 V HA 0.316 4.435 4.120 -0.001 0.000 0.291 462 V C 0.925 176.612 176.094 -0.677 0.000 1.020 462 V CA -0.739 61.109 62.300 -0.753 0.000 0.848 462 V CB 0.510 31.818 31.823 -0.860 0.000 0.990 462 V HN 0.580 nan 8.190 nan 0.000 0.430 463 Y N 6.072 125.811 120.300 -0.935 0.000 1.993 463 Y HA -0.181 4.368 4.550 -0.001 0.000 0.237 463 Y C -0.702 174.782 175.900 -0.693 0.000 1.071 463 Y CA 2.746 60.134 58.100 -1.187 0.000 1.046 463 Y CB -0.944 36.742 38.460 -1.291 0.000 0.949 463 Y HN 0.519 nan 8.280 nan 0.000 0.497 464 P HA -0.200 nan 4.420 nan 0.000 0.213 464 P C 0.843 177.765 177.300 -0.631 0.000 1.170 464 P CA 2.601 65.032 63.100 -1.114 0.000 0.898 464 P CB -0.193 31.199 31.700 -0.514 0.000 0.787 465 Q N -0.658 118.931 119.800 -0.351 0.000 2.360 465 Q HA 0.173 4.512 4.340 -0.001 0.000 0.202 465 Q C 0.999 176.974 176.000 -0.041 0.000 0.915 465 Q CA 0.353 56.109 55.803 -0.078 0.000 0.943 465 Q CB -0.723 27.944 28.738 -0.118 0.000 1.064 465 Q HN 0.042 nan 8.270 nan 0.000 0.511 466 G N 1.602 110.334 108.800 -0.113 0.000 2.491 466 G HA2 0.119 4.078 3.960 -0.001 0.000 0.242 466 G HA3 0.119 4.078 3.960 -0.001 0.000 0.242 466 G C -0.662 174.316 174.900 0.131 0.000 1.266 466 G CA -0.351 44.805 45.100 0.092 0.000 0.844 466 G HN 0.291 nan 8.290 nan 0.000 0.571 467 Q N 0.704 120.560 119.800 0.093 0.000 2.354 467 Q HA 0.314 4.653 4.340 -0.001 0.000 0.244 467 Q C 0.604 176.546 176.000 -0.097 0.000 0.969 467 Q CA -0.476 55.288 55.803 -0.064 0.000 0.885 467 Q CB 0.790 29.514 28.738 -0.024 0.000 1.241 467 Q HN 0.543 nan 8.270 nan 0.000 0.461 468 I N 1.257 121.603 120.570 -0.374 0.000 2.900 468 I HA 0.135 4.304 4.170 -0.001 0.000 0.251 468 I C 0.187 176.431 176.117 0.212 0.000 1.102 468 I CA 0.054 61.176 61.300 -0.296 0.000 1.457 468 I CB 0.083 37.663 38.000 -0.699 0.000 1.285 468 I HN 0.663 nan 8.210 nan 0.000 0.459 469 W N 0.121 121.482 121.300 0.102 0.000 2.929 469 W HA 0.765 5.425 4.660 -0.001 0.000 0.345 469 W C -1.441 175.226 176.519 0.246 0.000 1.151 469 W CA -0.777 56.702 57.345 0.223 0.000 1.111 469 W CB 0.603 30.208 29.460 0.241 0.000 1.449 469 W HN -0.266 nan 8.180 nan 0.000 0.572 470 D N 0.449 121.179 120.400 0.549 0.000 2.654 470 D HA 0.209 4.848 4.640 -0.001 0.000 0.231 470 D C -1.572 174.895 176.300 0.279 0.000 1.239 470 D CA -0.841 53.425 54.000 0.444 0.000 0.790 470 D CB 2.338 43.372 40.800 0.390 0.000 1.480 470 D HN 0.520 nan 8.370 nan 0.000 0.442 471 K N 1.612 122.056 120.400 0.072 0.000 2.185 471 K HA 0.340 4.659 4.320 -0.001 0.000 0.271 471 K C -0.181 176.469 176.600 0.085 0.000 1.013 471 K CA -0.371 55.827 56.287 -0.149 0.000 0.943 471 K CB 1.124 33.203 32.500 -0.702 0.000 0.998 471 K HN 0.315 nan 8.250 nan 0.000 0.468 472 E N 2.993 123.230 120.200 0.062 0.000 2.349 472 E HA 0.188 4.538 4.350 -0.001 0.000 0.262 472 E C -0.838 175.843 176.600 0.135 0.000 1.088 472 E CA -0.363 56.132 56.400 0.159 0.000 0.899 472 E CB 0.683 30.430 29.700 0.077 0.000 1.044 472 E HN 0.507 nan 8.360 nan 0.000 0.420 473 L N 2.389 123.710 121.223 0.163 0.000 2.349 473 L HA 0.203 4.542 4.340 -0.001 0.000 0.275 473 L C 0.373 177.276 176.870 0.056 0.000 1.115 473 L CA -0.380 54.512 54.840 0.086 0.000 0.820 473 L CB 0.601 42.697 42.059 0.061 0.000 1.135 473 L HN 0.521 nan 8.230 nan 0.000 0.445 474 D N 4.506 124.927 120.400 0.034 0.000 2.662 474 D HA 0.248 4.888 4.640 -0.001 0.000 0.228 474 D C -0.720 175.589 176.300 0.015 0.000 1.093 474 D CA 0.312 54.322 54.000 0.018 0.000 1.075 474 D CB -0.333 40.474 40.800 0.012 0.000 1.122 474 D HN 0.273 nan 8.370 nan 0.000 0.475 475 L N 2.038 123.271 121.223 0.017 0.000 2.381 475 L HA 0.236 4.575 4.340 -0.001 0.000 0.274 475 L C 1.294 178.147 176.870 -0.029 0.000 0.988 475 L CA -0.857 53.991 54.840 0.013 0.000 0.824 475 L CB 2.075 44.159 42.059 0.042 0.000 1.263 475 L HN -0.095 nan 8.230 nan 0.000 0.410 476 E N 0.813 120.961 120.200 -0.086 0.000 2.197 476 E HA -0.197 4.153 4.350 -0.001 0.000 0.205 476 E C 0.067 176.400 176.600 -0.445 0.000 1.029 476 E CA 1.623 57.865 56.400 -0.263 0.000 0.828 476 E CB -0.135 29.371 29.700 -0.325 0.000 0.737 476 E HN 0.351 nan 8.360 nan 0.000 0.464 477 H N 0.667 119.756 119.070 0.031 0.000 2.725 477 H HA 0.220 4.776 4.556 -0.001 0.000 0.283 477 H C -0.008 175.349 175.328 0.048 0.000 1.110 477 H CA -0.587 55.484 56.048 0.038 0.000 1.289 477 H CB 0.496 30.279 29.762 0.035 0.000 1.400 477 H HN -0.061 nan 8.280 nan 0.000 0.493 478 K N 2.968 123.440 120.400 0.121 0.000 2.120 478 K HA 0.262 4.581 4.320 -0.001 0.000 0.245 478 K C -1.942 174.741 176.600 0.137 0.000 1.024 478 K CA -1.497 54.862 56.287 0.120 0.000 0.906 478 K CB 0.485 33.046 32.500 0.102 0.000 1.051 478 K HN 0.436 nan 8.250 nan 0.000 0.491 479 P HA 0.364 nan 4.420 nan 0.000 0.292 479 P C -0.208 177.194 177.300 0.169 0.000 1.283 479 P CA -0.572 62.618 63.100 0.151 0.000 0.835 479 P CB 1.082 32.872 31.700 0.150 0.000 1.017 480 R N 1.017 121.610 120.500 0.156 0.000 2.397 480 R HA 0.058 4.398 4.340 -0.001 0.000 0.213 480 R C 0.880 177.293 176.300 0.188 0.000 1.102 480 R CA 0.751 56.945 56.100 0.156 0.000 1.040 480 R CB -0.667 29.731 30.300 0.164 0.000 0.844 480 R HN 0.561 nan 8.270 nan 0.000 0.478 481 L N -6.072 115.290 121.223 0.230 0.000 3.201 481 L HA 0.326 4.665 4.340 -0.001 0.000 0.283 481 L C -1.583 175.534 176.870 0.411 0.000 0.956 481 L CA -1.232 53.766 54.840 0.264 0.000 1.036 481 L CB 1.299 43.506 42.059 0.246 0.000 1.571 481 L HN -0.137 nan 8.230 nan 0.000 0.385 482 H N 0.280 119.409 119.070 0.097 0.000 2.622 482 H HA 0.576 5.132 4.556 -0.001 0.000 0.363 482 H C 0.348 175.693 175.328 0.027 0.000 1.151 482 H CA -0.319 55.770 56.048 0.067 0.000 1.184 482 H CB 2.779 32.599 29.762 0.095 0.000 1.643 482 H HN 0.771 nan 8.280 nan 0.000 0.531 483 I N -1.279 119.368 120.570 0.128 0.000 3.645 483 I HA -0.015 4.154 4.170 -0.001 0.000 0.300 483 I C 1.935 178.099 176.117 0.078 0.000 1.260 483 I CA 0.575 61.914 61.300 0.065 0.000 1.365 483 I CB 0.049 38.070 38.000 0.035 0.000 1.077 483 I HN 0.479 nan 8.210 nan 0.000 0.439 484 T N -0.630 113.984 114.554 0.099 0.000 2.995 484 T HA 0.429 4.778 4.350 -0.001 0.000 0.269 484 T C 0.741 175.518 174.700 0.128 0.000 1.091 484 T CA 0.497 62.654 62.100 0.094 0.000 1.128 484 T CB -0.175 68.740 68.868 0.079 0.000 0.891 484 T HN 0.509 nan 8.240 nan 0.000 0.492 485 A N 0.911 123.828 122.820 0.162 0.000 2.606 485 A HA 0.723 5.043 4.320 -0.001 0.000 0.293 485 A C -2.502 175.173 177.584 0.152 0.000 1.082 485 A CA -1.554 50.585 52.037 0.171 0.000 0.685 485 A CB 1.166 20.281 19.000 0.191 0.000 1.284 485 A HN 0.013 nan 8.150 nan 0.000 0.408 486 P HA 0.155 nan 4.420 nan 0.000 0.216 486 P C -0.163 177.051 177.300 -0.143 0.000 1.154 486 P CA 0.855 63.940 63.100 -0.025 0.000 0.857 486 P CB 0.078 31.665 31.700 -0.188 0.000 0.787 487 F N 0.067 120.175 119.950 0.264 0.000 2.361 487 F HA 0.266 4.792 4.527 -0.001 0.000 0.364 487 F C 0.053 175.969 175.800 0.194 0.000 1.120 487 F CA -1.057 57.067 58.000 0.206 0.000 1.102 487 F CB 0.765 39.873 39.000 0.179 0.000 1.183 487 F HN -0.375 nan 8.300 nan 0.000 0.476 488 V N 2.505 122.570 119.914 0.251 0.000 2.370 488 V HA 0.195 4.314 4.120 -0.001 0.000 0.279 488 V C -0.011 176.172 176.094 0.149 0.000 1.029 488 V CA -1.167 61.192 62.300 0.097 0.000 0.870 488 V CB 1.004 32.740 31.823 -0.145 0.000 0.984 488 V HN 0.802 nan 8.190 nan 0.000 0.451 489 C N 5.269 124.672 119.300 0.171 0.000 2.657 489 C HA 0.107 4.566 4.460 -0.001 0.000 0.404 489 C C 2.015 177.050 174.990 0.075 0.000 1.369 489 C CA -0.371 58.739 59.018 0.154 0.000 1.665 489 C CB -0.906 26.922 27.740 0.145 0.000 2.453 489 C HN 0.952 nan 8.230 nan 0.000 0.599 490 K N 2.218 122.657 120.400 0.065 0.000 2.211 490 K HA -0.088 4.231 4.320 -0.001 0.000 0.203 490 K C 1.285 177.891 176.600 0.009 0.000 1.050 490 K CA 1.036 57.341 56.287 0.030 0.000 0.945 490 K CB 0.086 32.600 32.500 0.024 0.000 0.732 490 K HN 0.826 nan 8.250 nan 0.000 0.451 491 N N 0.171 118.874 118.700 0.006 0.000 2.867 491 N HA -0.044 4.695 4.740 -0.001 0.000 0.326 491 N C -0.423 175.082 175.510 -0.009 0.000 1.355 491 N CA -0.605 52.434 53.050 -0.019 0.000 0.830 491 N CB -0.376 38.080 38.487 -0.052 0.000 1.152 491 N HN -0.217 nan 8.380 nan 0.000 0.569 492 N N -0.988 117.700 118.700 -0.019 0.000 2.492 492 N HA 0.355 5.094 4.740 -0.001 0.000 0.260 492 N C -0.765 174.774 175.510 0.049 0.000 1.215 492 N CA -0.196 52.849 53.050 -0.009 0.000 0.923 492 N CB 0.601 39.080 38.487 -0.013 0.000 1.092 492 N HN 0.678 nan 8.380 nan 0.000 0.448 493 A N 3.641 126.453 122.820 -0.013 0.000 2.252 493 A HA 0.566 4.885 4.320 -0.001 0.000 0.305 493 A C -2.345 175.141 177.584 -0.163 0.000 1.097 493 A CA -1.485 50.518 52.037 -0.057 0.000 0.849 493 A CB 0.082 18.989 19.000 -0.155 0.000 1.142 493 A HN 0.645 nan 8.150 nan 0.000 0.499 494 P HA 0.160 nan 4.420 nan 0.000 0.264 494 P C 0.355 177.564 177.300 -0.152 0.000 1.183 494 P CA 0.625 63.283 63.100 -0.736 0.000 0.763 494 P CB 0.406 31.545 31.700 -0.934 0.000 0.807 495 G N 2.950 111.699 108.800 -0.085 0.000 2.483 495 G HA2 0.125 4.084 3.960 -0.001 0.000 0.248 495 G HA3 0.125 4.084 3.960 -0.001 0.000 0.248 495 G C -0.451 174.482 174.900 0.056 0.000 1.248 495 G CA -0.541 44.564 45.100 0.008 0.000 0.838 495 G HN 0.448 nan 8.290 nan 0.000 0.566 496 Q N 0.621 120.450 119.800 0.049 0.000 2.327 496 Q HA 0.196 4.536 4.340 -0.001 0.000 0.254 496 Q C -0.046 175.930 176.000 -0.040 0.000 0.952 496 Q CA -0.079 55.730 55.803 0.010 0.000 0.884 496 Q CB 1.803 30.491 28.738 -0.083 0.000 1.224 496 Q HN 0.549 nan 8.270 nan 0.000 0.422 497 M N 4.164 123.763 119.600 -0.001 0.000 2.080 497 M HA 0.320 4.799 4.480 -0.001 0.000 0.350 497 M C -1.642 174.633 176.300 -0.042 0.000 1.173 497 M CA -0.371 54.933 55.300 0.007 0.000 1.052 497 M CB 0.342 33.008 32.600 0.110 0.000 1.577 497 M HN 0.539 nan 8.290 nan 0.000 0.455 498 L N 6.237 127.408 121.223 -0.086 0.000 2.325 498 L HA 0.798 5.138 4.340 -0.001 0.000 0.278 498 L C -0.429 176.530 176.870 0.148 0.000 1.023 498 L CA -0.974 53.853 54.840 -0.022 0.000 0.811 498 L CB 1.679 43.621 42.059 -0.195 0.000 1.249 498 L HN 0.546 nan 8.230 nan 0.000 0.431 499 V N 0.136 120.209 119.914 0.265 0.000 3.102 499 V HA 0.824 4.944 4.120 -0.001 0.000 0.312 499 V C -0.748 175.427 176.094 0.135 0.000 1.135 499 V CA -0.750 61.674 62.300 0.207 0.000 1.022 499 V CB 2.223 34.073 31.823 0.045 0.000 1.056 499 V HN 0.897 nan 8.190 nan 0.000 0.436 500 R N 1.701 122.106 120.500 -0.159 0.000 2.633 500 R HA 0.432 4.771 4.340 -0.001 0.000 0.255 500 R C -2.200 173.894 176.300 -0.344 0.000 1.106 500 R CA -0.615 55.210 56.100 -0.457 0.000 0.959 500 R CB 1.745 31.209 30.300 -1.392 0.000 1.259 500 R HN 0.971 nan 8.270 nan 0.000 0.453 501 L N 2.420 123.495 121.223 -0.246 0.000 2.380 501 L HA 0.366 4.705 4.340 -0.001 0.000 0.273 501 L C 1.347 178.098 176.870 -0.198 0.000 1.138 501 L CA -0.350 54.389 54.840 -0.169 0.000 0.832 501 L CB 1.058 43.058 42.059 -0.098 0.000 1.124 501 L HN 0.787 nan 8.230 nan 0.000 0.454 502 G N 3.309 112.019 108.800 -0.150 0.000 2.398 502 G HA2 0.257 4.216 3.960 -0.001 0.000 0.246 502 G HA3 0.257 4.216 3.960 -0.001 0.000 0.246 502 G C -2.415 172.420 174.900 -0.109 0.000 1.289 502 G CA -0.791 44.229 45.100 -0.133 0.000 0.869 502 G HN 0.411 nan 8.290 nan 0.000 0.543 503 P HA 0.010 nan 4.420 nan 0.000 0.262 503 P C -0.273 176.980 177.300 -0.078 0.000 1.199 503 P CA 0.067 63.113 63.100 -0.090 0.000 0.763 503 P CB 0.511 32.154 31.700 -0.095 0.000 0.790 504 N N 4.304 122.968 118.700 -0.059 0.000 2.707 504 N HA 0.191 4.930 4.740 -0.001 0.000 0.235 504 N C -0.434 175.051 175.510 -0.042 0.000 1.028 504 N CA -0.227 52.795 53.050 -0.047 0.000 0.906 504 N CB -0.003 38.468 38.487 -0.026 0.000 1.131 504 N HN 0.259 nan 8.380 nan 0.000 0.509 505 L N 0.739 121.921 121.223 -0.068 0.000 2.474 505 L HA 0.269 4.608 4.340 -0.001 0.000 0.259 505 L C 1.519 178.378 176.870 -0.018 0.000 1.232 505 L CA -0.201 54.602 54.840 -0.061 0.000 0.821 505 L CB 0.350 42.323 42.059 -0.144 0.000 1.108 505 L HN 0.459 nan 8.230 nan 0.000 0.495 506 T N -3.746 110.817 114.554 0.015 0.000 2.876 506 T HA 0.150 4.499 4.350 -0.001 0.000 0.277 506 T C 0.681 175.405 174.700 0.040 0.000 0.997 506 T CA -0.334 61.783 62.100 0.029 0.000 0.966 506 T CB 1.188 70.080 68.868 0.041 0.000 1.312 506 T HN 0.711 nan 8.240 nan 0.000 0.598 507 D N -0.741 119.683 120.400 0.038 0.000 2.269 507 D HA -0.089 4.550 4.640 -0.001 0.000 0.208 507 D C 0.210 176.549 176.300 0.065 0.000 0.963 507 D CA 0.634 54.659 54.000 0.042 0.000 0.864 507 D CB -0.059 40.758 40.800 0.029 0.000 0.936 507 D HN 0.378 nan 8.370 nan 0.000 0.505 508 Q N 0.052 119.898 119.800 0.076 0.000 2.368 508 Q HA 0.302 4.641 4.340 -0.001 0.000 0.256 508 Q C -1.485 174.610 176.000 0.159 0.000 0.980 508 Q CA -0.561 55.293 55.803 0.086 0.000 0.887 508 Q CB 1.350 30.118 28.738 0.050 0.000 1.221 508 Q HN 0.317 nan 8.270 nan 0.000 0.458 509 Y N 1.531 121.835 120.300 0.006 0.000 2.470 509 Y HA 0.428 4.977 4.550 -0.001 0.000 0.341 509 Y C -1.630 174.275 175.900 0.008 0.000 1.021 509 Y CA -1.170 56.935 58.100 0.007 0.000 1.025 509 Y CB 1.943 40.409 38.460 0.009 0.000 1.266 509 Y HN 0.510 nan 8.280 nan 0.000 0.448 510 D N 6.470 126.339 120.400 -0.886 0.000 2.764 510 D HA 0.410 5.049 4.640 -0.001 0.000 0.227 510 D C -2.432 173.380 176.300 -0.813 0.000 1.347 510 D CA -1.885 51.730 54.000 -0.642 0.000 0.953 510 D CB 2.615 43.246 40.800 -0.282 0.000 1.476 510 D HN 0.256 nan 8.370 nan 0.000 0.585 511 P HA -0.102 nan 4.420 nan 0.000 0.216 511 P C 0.711 177.926 177.300 -0.142 0.000 1.150 511 P CA 0.962 63.901 63.100 -0.268 0.000 0.843 511 P CB 0.186 31.847 31.700 -0.064 0.000 0.787 512 N N -1.138 117.481 118.700 -0.135 0.000 2.373 512 N HA 0.025 4.764 4.740 -0.001 0.000 0.181 512 N C 1.090 176.552 175.510 -0.080 0.000 1.082 512 N CA 0.318 53.322 53.050 -0.077 0.000 0.885 512 N CB -0.629 37.825 38.487 -0.055 0.000 0.977 512 N HN 0.016 nan 8.380 nan 0.000 0.462 513 G N 0.202 108.928 108.800 -0.123 0.000 2.398 513 G HA2 0.382 4.341 3.960 -0.001 0.000 0.246 513 G HA3 0.382 4.341 3.960 -0.001 0.000 0.246 513 G C 0.909 175.773 174.900 -0.060 0.000 1.289 513 G CA 0.083 45.127 45.100 -0.093 0.000 0.869 513 G HN 0.274 nan 8.290 nan 0.000 0.543 514 A N 2.088 124.886 122.820 -0.037 0.000 2.067 514 A HA 0.159 4.478 4.320 -0.001 0.000 0.217 514 A C 1.589 179.165 177.584 -0.013 0.000 1.156 514 A CA 0.897 52.922 52.037 -0.020 0.000 0.683 514 A CB -0.050 18.938 19.000 -0.019 0.000 0.808 514 A HN 0.548 nan 8.150 nan 0.000 0.455 515 T N 1.270 115.813 114.554 -0.018 0.000 2.723 515 T HA 0.395 4.744 4.350 -0.001 0.000 0.297 515 T C -0.570 174.136 174.700 0.010 0.000 0.925 515 T CA -0.035 62.062 62.100 -0.006 0.000 1.030 515 T CB 0.635 69.497 68.868 -0.010 0.000 0.905 515 T HN 0.128 nan 8.240 nan 0.000 0.502 516 L N 5.616 126.859 121.223 0.033 0.000 2.315 516 L HA 0.349 4.688 4.340 -0.001 0.000 0.278 516 L C 0.467 177.379 176.870 0.070 0.000 1.088 516 L CA -0.388 54.499 54.840 0.078 0.000 0.899 516 L CB -0.060 42.053 42.059 0.091 0.000 1.277 516 L HN 0.617 nan 8.230 nan 0.000 0.431 517 S N 5.568 121.315 115.700 0.078 0.000 2.448 517 S HA 0.718 5.187 4.470 -0.001 0.000 0.279 517 S C -0.030 174.612 174.600 0.070 0.000 1.195 517 S CA -0.761 57.474 58.200 0.059 0.000 1.051 517 S CB 0.630 63.859 63.200 0.049 0.000 0.948 517 S HN 0.721 nan 8.310 nan 0.000 0.493 518 R N 2.159 122.685 120.500 0.044 0.000 2.836 518 R HA 0.624 4.963 4.340 -0.001 0.000 0.269 518 R C -1.070 175.243 176.300 0.021 0.000 1.010 518 R CA -1.121 54.998 56.100 0.030 0.000 0.930 518 R CB 0.871 31.183 30.300 0.020 0.000 1.218 518 R HN 0.544 nan 8.270 nan 0.000 0.473 519 I N 1.955 122.534 120.570 0.016 0.000 2.588 519 I HA 0.048 4.217 4.170 -0.001 0.000 0.283 519 I C 0.304 176.438 176.117 0.029 0.000 1.119 519 I CA -0.770 60.541 61.300 0.019 0.000 1.419 519 I CB 1.411 39.421 38.000 0.017 0.000 1.394 519 I HN 0.304 nan 8.210 nan 0.000 0.562 520 V N 5.945 125.880 119.914 0.036 0.000 2.493 520 V HA 0.117 4.237 4.120 -0.001 0.000 0.292 520 V C 0.360 176.513 176.094 0.099 0.000 1.016 520 V CA 0.335 62.667 62.300 0.055 0.000 1.097 520 V CB -0.096 31.753 31.823 0.045 0.000 0.947 520 V HN 0.856 nan 8.190 nan 0.000 0.479 521 T N 4.671 119.297 114.554 0.120 0.000 2.868 521 T HA 0.753 5.103 4.350 -0.001 0.000 0.306 521 T C -0.960 173.886 174.700 0.244 0.000 1.224 521 T CA -0.633 61.567 62.100 0.167 0.000 1.012 521 T CB 1.976 70.881 68.868 0.061 0.000 1.221 521 T HN 0.795 nan 8.240 nan 0.000 0.499 522 Y N -1.555 118.725 120.300 -0.033 0.000 2.677 522 Y HA 0.802 5.352 4.550 -0.001 0.000 0.334 522 Y C -0.605 175.214 175.900 -0.135 0.000 1.196 522 Y CA -1.190 56.852 58.100 -0.096 0.000 1.059 522 Y CB 0.998 39.393 38.460 -0.108 0.000 1.315 522 Y HN 1.018 nan 8.280 nan 0.000 0.455 523 G N 0.060 108.633 108.800 -0.378 0.000 2.727 523 G HA2 0.673 4.633 3.960 -0.001 0.000 0.289 523 G HA3 0.673 4.633 3.960 -0.001 0.000 0.289 523 G C -1.471 173.217 174.900 -0.354 0.000 1.418 523 G CA -0.594 44.252 45.100 -0.425 0.000 0.818 523 G HN 1.219 nan 8.290 nan 0.000 0.486 524 T N -2.408 112.007 114.554 -0.232 0.000 2.883 524 T HA 0.825 5.174 4.350 -0.001 0.000 0.301 524 T C -1.036 173.627 174.700 -0.062 0.000 1.158 524 T CA -0.757 61.190 62.100 -0.256 0.000 1.007 524 T CB 1.970 70.669 68.868 -0.283 0.000 1.186 524 T HN 1.929 nan 8.240 nan 0.000 0.499 525 F N -1.144 118.671 119.950 -0.225 0.000 2.746 525 F HA 0.760 5.286 4.527 -0.001 0.000 0.311 525 F C -2.432 173.212 175.800 -0.259 0.000 1.135 525 F CA -2.261 55.649 58.000 -0.149 0.000 0.954 525 F CB 0.397 39.370 39.000 -0.045 0.000 1.276 525 F HN 0.584 nan 8.300 nan 0.000 0.440 526 F N 1.870 121.794 119.950 -0.044 0.000 2.397 526 F HA 0.545 5.072 4.527 -0.001 0.000 0.331 526 F C -0.498 175.355 175.800 0.087 0.000 1.090 526 F CA -0.599 57.291 58.000 -0.182 0.000 1.065 526 F CB 1.425 40.025 39.000 -0.667 0.000 1.184 526 F HN 0.779 nan 8.300 nan 0.000 0.499 527 W N 4.122 125.552 121.300 0.216 0.000 2.736 527 W HA 0.623 5.283 4.660 -0.001 0.000 0.335 527 W C -1.584 175.092 176.519 0.261 0.000 1.059 527 W CA -1.197 56.317 57.345 0.283 0.000 1.226 527 W CB 1.368 30.985 29.460 0.262 0.000 1.416 527 W HN 0.445 nan 8.180 nan 0.000 0.505 528 K N 4.213 124.171 120.400 -0.737 0.000 2.482 528 K HA 0.701 5.020 4.320 -0.001 0.000 0.251 528 K C -0.714 175.148 176.600 -1.230 0.000 0.936 528 K CA -0.757 55.060 56.287 -0.784 0.000 0.791 528 K CB 1.638 34.088 32.500 -0.084 0.000 1.213 528 K HN 0.729 nan 8.250 nan 0.000 0.428 529 G N 2.385 110.508 108.800 -1.127 0.000 2.519 529 G HA2 0.448 4.407 3.960 -0.001 0.000 0.307 529 G HA3 0.448 4.407 3.960 -0.001 0.000 0.307 529 G C -1.656 173.374 174.900 0.217 0.000 1.266 529 G CA -0.615 44.293 45.100 -0.320 0.000 0.970 529 G HN 0.467 nan 8.290 nan 0.000 0.481 530 K N 1.396 121.912 120.400 0.194 0.000 2.572 530 K HA 0.473 4.792 4.320 -0.001 0.000 0.244 530 K C -1.352 175.208 176.600 -0.067 0.000 0.965 530 K CA -0.708 55.640 56.287 0.102 0.000 0.943 530 K CB 1.262 33.760 32.500 -0.003 0.000 1.154 530 K HN 0.310 nan 8.250 nan 0.000 0.447 531 L N 3.539 124.624 121.223 -0.229 0.000 2.275 531 L HA 0.480 4.819 4.340 -0.001 0.000 0.288 531 L C -1.033 175.655 176.870 -0.302 0.000 1.046 531 L CA 0.399 54.917 54.840 -0.537 0.000 0.805 531 L CB 1.710 43.031 42.059 -1.231 0.000 1.193 531 L HN 0.582 nan 8.230 nan 0.000 0.426 532 T N 6.510 120.899 114.554 -0.276 0.000 2.786 532 T HA 0.645 4.994 4.350 -0.001 0.000 0.283 532 T C -0.162 174.403 174.700 -0.226 0.000 0.992 532 T CA -0.343 61.635 62.100 -0.203 0.000 0.954 532 T CB 0.972 69.747 68.868 -0.155 0.000 0.934 532 T HN 0.542 nan 8.240 nan 0.000 0.440 533 M N 2.119 121.609 119.600 -0.183 0.000 2.761 533 M HA 0.641 5.120 4.480 -0.001 0.000 0.305 533 M C -0.232 176.010 176.300 -0.096 0.000 1.235 533 M CA -0.970 54.231 55.300 -0.164 0.000 0.850 533 M CB 2.453 34.980 32.600 -0.121 0.000 1.744 533 M HN 0.331 nan 8.290 nan 0.000 0.480 534 R N 0.459 120.929 120.500 -0.050 0.000 2.532 534 R HA 0.852 5.192 4.340 -0.001 0.000 0.297 534 R C -1.998 174.366 176.300 0.107 0.000 0.984 534 R CA -0.265 55.853 56.100 0.029 0.000 0.884 534 R CB 1.783 32.092 30.300 0.015 0.000 1.182 534 R HN 0.861 nan 8.270 nan 0.000 0.442 535 A N 3.387 126.285 122.820 0.130 0.000 2.527 535 A HA 0.613 4.932 4.320 -0.001 0.000 0.293 535 A C -1.546 176.066 177.584 0.046 0.000 1.117 535 A CA -0.821 51.271 52.037 0.091 0.000 0.723 535 A CB 1.835 20.827 19.000 -0.013 0.000 1.313 535 A HN 0.617 nan 8.150 nan 0.000 0.411 536 K N 1.108 121.428 120.400 -0.133 0.000 2.259 536 K HA 0.660 4.979 4.320 -0.001 0.000 0.252 536 K C -1.086 175.352 176.600 -0.270 0.000 0.936 536 K CA -0.602 55.447 56.287 -0.396 0.000 0.810 536 K CB 1.113 33.130 32.500 -0.804 0.000 1.143 536 K HN 0.691 nan 8.250 nan 0.000 0.427 537 L N 4.578 125.654 121.223 -0.245 0.000 2.439 537 L HA 0.236 4.575 4.340 -0.001 0.000 0.269 537 L C 0.827 177.594 176.870 -0.172 0.000 1.179 537 L CA -0.275 54.466 54.840 -0.164 0.000 0.828 537 L CB 0.448 42.450 42.059 -0.095 0.000 1.106 537 L HN 0.686 nan 8.230 nan 0.000 0.467 538 R N 2.387 122.806 120.500 -0.135 0.000 2.560 538 R HA 0.704 5.043 4.340 -0.001 0.000 0.270 538 R C -0.556 175.690 176.300 -0.091 0.000 1.074 538 R CA -0.635 55.398 56.100 -0.111 0.000 1.140 538 R CB 0.813 31.058 30.300 -0.091 0.000 1.073 538 R HN 0.584 nan 8.270 nan 0.000 0.527 539 A N 1.491 124.266 122.820 -0.075 0.000 2.306 539 A HA 0.322 4.642 4.320 -0.001 0.000 0.330 539 A C -0.883 176.677 177.584 -0.039 0.000 1.146 539 A CA -0.931 51.072 52.037 -0.058 0.000 0.827 539 A CB 1.087 20.055 19.000 -0.053 0.000 1.178 539 A HN 0.821 nan 8.150 nan 0.000 0.490 540 N N 0.190 118.870 118.700 -0.033 0.000 2.501 540 N HA 0.397 5.136 4.740 -0.001 0.000 0.245 540 N C 0.655 176.161 175.510 -0.008 0.000 0.974 540 N CA 0.437 53.473 53.050 -0.024 0.000 0.941 540 N CB 1.037 39.501 38.487 -0.038 0.000 1.122 540 N HN 0.622 nan 8.380 nan 0.000 0.507 541 T N -2.251 112.310 114.554 0.012 0.000 2.959 541 T HA 0.088 4.438 4.350 -0.001 0.000 0.254 541 T C 0.920 175.661 174.700 0.069 0.000 1.003 541 T CA -0.084 62.037 62.100 0.035 0.000 0.950 541 T CB -0.333 68.555 68.868 0.035 0.000 1.090 541 T HN 0.424 nan 8.240 nan 0.000 0.503 542 T N -1.530 113.067 114.554 0.072 0.000 2.849 542 T HA 0.255 4.605 4.350 -0.001 0.000 0.284 542 T C 0.569 175.356 174.700 0.145 0.000 1.004 542 T CA -0.885 61.286 62.100 0.120 0.000 1.021 542 T CB 1.276 70.208 68.868 0.106 0.000 1.013 542 T HN 0.387 nan 8.240 nan 0.000 0.527 543 W N 2.761 124.073 121.300 0.020 0.000 2.526 543 W HA 0.047 4.707 4.660 -0.001 0.000 0.294 543 W C 0.535 177.063 176.519 0.014 0.000 1.181 543 W CA 0.421 57.775 57.345 0.015 0.000 1.373 543 W CB -0.330 29.139 29.460 0.015 0.000 1.112 543 W HN 0.859 nan 8.180 nan 0.000 0.545 544 N N 2.497 121.375 118.700 0.298 0.000 2.453 544 N HA 0.074 4.814 4.740 -0.001 0.000 0.253 544 N C -2.528 173.007 175.510 0.041 0.000 1.252 544 N CA -0.802 52.354 53.050 0.178 0.000 0.917 544 N CB -0.134 38.469 38.487 0.193 0.000 1.117 544 N HN -0.089 nan 8.380 nan 0.000 0.442 545 P HA 0.093 nan 4.420 nan 0.000 0.274 545 P C -0.433 176.892 177.300 0.042 0.000 1.264 545 P CA -0.389 62.711 63.100 -0.001 0.000 0.795 545 P CB 0.557 32.258 31.700 0.002 0.000 1.064 546 V N -0.810 119.132 119.914 0.046 0.000 3.114 546 V HA 0.335 4.454 4.120 -0.001 0.000 0.308 546 V C -1.390 174.783 176.094 0.130 0.000 1.168 546 V CA -1.007 61.350 62.300 0.095 0.000 1.015 546 V CB 1.724 33.592 31.823 0.075 0.000 1.050 546 V HN 0.312 nan 8.190 nan 0.000 0.433 547 Y N 4.149 124.490 120.300 0.068 0.000 2.620 547 Y HA 0.342 4.892 4.550 -0.001 0.000 0.330 547 Y C 0.289 176.234 175.900 0.075 0.000 1.186 547 Y CA 0.556 58.707 58.100 0.085 0.000 1.467 547 Y CB 0.350 38.893 38.460 0.138 0.000 1.262 547 Y HN 0.580 nan 8.280 nan 0.000 0.550 548 Q N 4.077 123.512 119.800 -0.609 0.000 2.389 548 Q HA 0.390 4.730 4.340 -0.001 0.000 0.277 548 Q C -1.235 174.415 176.000 -0.583 0.000 1.082 548 Q CA -1.142 54.406 55.803 -0.425 0.000 0.810 548 Q CB 2.607 31.215 28.738 -0.216 0.000 1.374 548 Q HN 0.466 nan 8.270 nan 0.000 0.422 549 V N 1.535 121.262 119.914 -0.311 0.000 2.614 549 V HA 0.355 4.474 4.120 -0.001 0.000 0.291 549 V C 0.184 176.174 176.094 -0.173 0.000 1.049 549 V CA 0.403 62.579 62.300 -0.206 0.000 1.038 549 V CB 1.374 33.148 31.823 -0.082 0.000 0.980 549 V HN 0.758 nan 8.190 nan 0.000 0.481 550 S N 3.584 119.205 115.700 -0.132 0.000 2.556 550 S HA 0.797 5.266 4.470 -0.001 0.000 0.271 550 S C -0.274 174.286 174.600 -0.066 0.000 1.135 550 S CA -0.021 58.119 58.200 -0.101 0.000 0.858 550 S CB 1.748 64.896 63.200 -0.086 0.000 1.114 550 S HN 1.174 nan 8.310 nan 0.000 0.468 551 A N 2.036 124.812 122.820 -0.073 0.000 2.310 551 A HA 0.739 5.058 4.320 -0.001 0.000 0.260 551 A C -0.045 177.554 177.584 0.025 0.000 1.112 551 A CA 0.029 52.047 52.037 -0.033 0.000 0.804 551 A CB 0.175 19.152 19.000 -0.037 0.000 1.081 551 A HN 0.847 nan 8.150 nan 0.000 0.499 552 E N -0.586 119.657 120.200 0.072 0.000 2.352 552 E HA 0.276 4.625 4.350 -0.001 0.000 0.280 552 E C -1.413 175.236 176.600 0.081 0.000 0.930 552 E CA -0.647 55.797 56.400 0.074 0.000 0.765 552 E CB 1.311 31.068 29.700 0.095 0.000 1.219 552 E HN 0.697 nan 8.360 nan 0.000 0.434 553 D N 1.300 121.737 120.400 0.062 0.000 2.505 553 D HA -0.153 4.486 4.640 -0.001 0.000 0.229 553 D C 0.071 176.410 176.300 0.066 0.000 1.215 553 D CA 0.731 54.765 54.000 0.056 0.000 0.880 553 D CB 0.376 41.203 40.800 0.045 0.000 1.228 553 D HN 0.460 nan 8.370 nan 0.000 0.497 554 N N -0.122 118.612 118.700 0.057 0.000 2.414 554 N HA 0.146 4.885 4.740 -0.001 0.000 0.268 554 N C 0.154 175.696 175.510 0.053 0.000 1.286 554 N CA -0.036 53.047 53.050 0.054 0.000 0.896 554 N CB 0.264 38.777 38.487 0.042 0.000 1.093 554 N HN 0.474 nan 8.380 nan 0.000 0.480 555 G N 2.819 111.655 108.800 0.060 0.000 2.619 555 G HA2 0.006 3.965 3.960 -0.001 0.000 0.146 555 G HA3 0.006 3.965 3.960 -0.001 0.000 0.146 555 G C -0.067 174.873 174.900 0.068 0.000 1.192 555 G CA -0.293 44.843 45.100 0.060 0.000 1.063 555 G HN 0.527 nan 8.290 nan 0.000 0.538 556 N N 0.656 119.403 118.700 0.079 0.000 2.511 556 N HA 0.061 4.800 4.740 -0.001 0.000 0.190 556 N C 1.329 176.917 175.510 0.131 0.000 1.037 556 N CA 1.070 54.175 53.050 0.092 0.000 0.895 556 N CB -0.404 38.132 38.487 0.082 0.000 1.149 556 N HN 0.671 nan 8.380 nan 0.000 0.437 557 S N 1.752 117.535 115.700 0.138 0.000 2.952 557 S HA -0.207 4.262 4.470 -0.001 0.000 0.351 557 S C 1.055 175.809 174.600 0.257 0.000 1.211 557 S CA -0.228 58.084 58.200 0.186 0.000 1.002 557 S CB -0.035 63.264 63.200 0.163 0.000 0.702 557 S HN 0.312 nan 8.310 nan 0.000 0.495 558 Y N 2.974 123.366 120.300 0.153 0.000 2.219 558 Y HA -0.185 4.364 4.550 -0.001 0.000 0.283 558 Y C 1.729 177.783 175.900 0.257 0.000 1.191 558 Y CA 1.711 59.923 58.100 0.187 0.000 1.199 558 Y CB -0.199 38.393 38.460 0.219 0.000 0.972 558 Y HN 0.647 nan 8.280 nan 0.000 0.527 559 M N 0.338 120.101 119.600 0.271 0.000 3.057 559 M HA 0.101 4.580 4.480 -0.001 0.000 0.246 559 M C 0.549 177.023 176.300 0.289 0.000 1.289 559 M CA 0.036 55.515 55.300 0.297 0.000 1.161 559 M CB -1.202 31.522 32.600 0.207 0.000 1.302 559 M HN 0.060 nan 8.290 nan 0.000 0.483 560 S N 1.272 117.099 115.700 0.211 0.000 2.443 560 S HA 0.170 4.639 4.470 -0.001 0.000 0.284 560 S C 1.669 176.406 174.600 0.229 0.000 1.206 560 S CA -0.390 57.904 58.200 0.156 0.000 1.074 560 S CB 0.421 63.667 63.200 0.078 0.000 0.963 560 S HN 0.485 nan 8.310 nan 0.000 0.501 561 V N 4.514 124.569 119.914 0.236 0.000 2.511 561 V HA -0.174 3.945 4.120 -0.001 0.000 0.257 561 V C 1.942 178.188 176.094 0.254 0.000 1.088 561 V CA 2.547 65.022 62.300 0.292 0.000 1.098 561 V CB -1.962 29.956 31.823 0.158 0.000 0.674 561 V HN 0.865 nan 8.190 nan 0.000 0.470 562 T N 0.154 114.782 114.554 0.124 0.000 2.759 562 T HA -0.177 4.172 4.350 -0.001 0.000 0.269 562 T C 1.809 176.494 174.700 -0.024 0.000 1.042 562 T CA 2.039 64.170 62.100 0.053 0.000 1.140 562 T CB -0.388 68.491 68.868 0.018 0.000 0.864 562 T HN 0.645 nan 8.240 nan 0.000 0.455 563 K N 0.056 120.365 120.400 -0.151 0.000 2.160 563 K HA -0.114 4.205 4.320 -0.001 0.000 0.206 563 K C 1.169 177.450 176.600 -0.531 0.000 1.047 563 K CA 1.017 57.015 56.287 -0.481 0.000 0.930 563 K CB -0.034 31.881 32.500 -0.974 0.000 0.720 563 K HN 0.498 nan 8.250 nan 0.000 0.450 564 W N 1.473 122.772 121.300 -0.002 0.000 3.086 564 W HA 0.299 4.958 4.660 -0.001 0.000 0.436 564 W C -0.249 176.290 176.519 0.034 0.000 0.939 564 W CA -0.165 57.196 57.345 0.027 0.000 2.108 564 W CB -0.227 29.253 29.460 0.032 0.000 1.093 564 W HN -0.031 nan 8.180 nan 0.000 0.783 565 L N 0.363 121.659 121.223 0.121 0.000 2.309 565 L HA 0.539 4.878 4.340 -0.001 0.000 0.261 565 L C -2.239 174.642 176.870 0.018 0.000 1.021 565 L CA -2.116 52.775 54.840 0.085 0.000 0.823 565 L CB 1.977 44.077 42.059 0.068 0.000 1.366 565 L HN -0.406 nan 8.230 nan 0.000 0.423 566 P HA 0.256 nan 4.420 nan 0.000 0.278 566 P C -0.778 176.516 177.300 -0.009 0.000 1.258 566 P CA -0.408 62.686 63.100 -0.010 0.000 0.811 566 P CB 0.943 32.647 31.700 0.008 0.000 1.063 567 T N -2.888 111.661 114.554 -0.009 0.000 2.884 567 T HA 0.522 4.872 4.350 -0.001 0.000 0.277 567 T C 1.219 175.931 174.700 0.020 0.000 0.976 567 T CA -0.246 61.856 62.100 0.003 0.000 0.956 567 T CB 0.526 69.396 68.868 0.003 0.000 1.113 567 T HN 0.244 nan 8.240 nan 0.000 0.554 568 A N 0.171 123.003 122.820 0.021 0.000 2.125 568 A HA 0.066 4.385 4.320 -0.001 0.000 0.219 568 A C 2.272 179.876 177.584 0.034 0.000 1.156 568 A CA 1.766 53.817 52.037 0.024 0.000 0.671 568 A CB -1.333 17.680 19.000 0.022 0.000 0.794 568 A HN 1.084 nan 8.150 nan 0.000 0.459 569 T N -5.777 108.805 114.554 0.046 0.000 3.023 569 T HA 0.428 4.778 4.350 -0.001 0.000 0.253 569 T C 1.191 175.949 174.700 0.095 0.000 1.038 569 T CA 1.112 63.249 62.100 0.062 0.000 0.962 569 T CB 0.292 69.197 68.868 0.062 0.000 1.018 569 T HN 1.635 nan 8.240 nan 0.000 0.521 570 G N 1.754 110.610 108.800 0.093 0.000 2.148 570 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.203 570 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.203 570 G C -0.234 174.768 174.900 0.169 0.000 0.993 570 G CA -0.369 44.815 45.100 0.139 0.000 0.661 570 G HN 0.585 nan 8.290 nan 0.000 0.518 571 N N 1.020 119.785 118.700 0.108 0.000 2.468 571 N HA 0.401 5.141 4.740 -0.001 0.000 0.265 571 N C 0.551 175.824 175.510 -0.396 0.000 1.199 571 N CA 0.528 53.591 53.050 0.022 0.000 0.928 571 N CB 0.569 39.092 38.487 0.059 0.000 1.059 571 N HN 0.202 nan 8.380 nan 0.000 0.467 572 M N 1.160 120.040 119.600 -1.201 0.000 2.644 572 M HA 0.357 4.837 4.480 -0.001 0.000 0.316 572 M C 0.006 175.775 176.300 -0.884 0.000 1.200 572 M CA -0.462 54.205 55.300 -1.055 0.000 0.944 572 M CB 1.559 33.345 32.600 -1.357 0.000 1.691 572 M HN 0.443 nan 8.290 nan 0.000 0.471 573 Q N 0.403 119.986 119.800 -0.363 0.000 2.340 573 Q HA 0.534 4.873 4.340 -0.001 0.000 0.276 573 Q C -1.735 174.201 176.000 -0.107 0.000 1.048 573 Q CA -0.215 55.463 55.803 -0.208 0.000 0.832 573 Q CB 2.354 30.948 28.738 -0.238 0.000 1.373 573 Q HN 0.743 nan 8.270 nan 0.000 0.409 574 S N 3.010 118.707 115.700 -0.005 0.000 2.746 574 S HA 0.491 4.960 4.470 -0.001 0.000 0.273 574 S C -0.762 173.844 174.600 0.010 0.000 1.172 574 S CA -0.478 57.736 58.200 0.023 0.000 1.116 574 S CB 0.579 63.834 63.200 0.093 0.000 1.057 574 S HN 0.494 nan 8.310 nan 0.000 0.483 575 V N 3.209 123.096 119.914 -0.045 0.000 2.973 575 V HA 0.800 4.919 4.120 -0.001 0.000 0.314 575 V C -2.348 173.803 176.094 0.095 0.000 1.066 575 V CA -2.408 59.888 62.300 -0.007 0.000 1.021 575 V CB 0.640 32.422 31.823 -0.069 0.000 1.076 575 V HN 0.627 nan 8.190 nan 0.000 0.462 576 P HA 0.306 nan 4.420 nan 0.000 0.272 576 P C -1.195 176.259 177.300 0.257 0.000 1.230 576 P CA -0.192 62.906 63.100 -0.003 0.000 0.788 576 P CB 0.863 32.401 31.700 -0.269 0.000 0.949 577 L N 1.354 122.744 121.223 0.280 0.000 2.323 577 L HA 0.413 4.752 4.340 -0.001 0.000 0.265 577 L C 0.571 177.725 176.870 0.473 0.000 1.012 577 L CA -1.125 53.927 54.840 0.354 0.000 0.820 577 L CB 1.071 43.266 42.059 0.227 0.000 1.334 577 L HN 0.266 nan 8.230 nan 0.000 0.427 578 I N 0.714 121.571 120.570 0.479 0.000 2.618 578 I HA 0.018 4.187 4.170 -0.001 0.000 0.284 578 I C 1.504 177.909 176.117 0.479 0.000 1.146 578 I CA 0.747 62.362 61.300 0.525 0.000 1.425 578 I CB 0.399 38.649 38.000 0.416 0.000 1.383 578 I HN 0.600 nan 8.210 nan 0.000 0.562 579 T N 4.820 119.696 114.554 0.537 0.000 3.040 579 T HA 0.134 4.484 4.350 -0.001 0.000 0.252 579 T C 0.920 175.754 174.700 0.224 0.000 1.064 579 T CA 0.672 63.011 62.100 0.397 0.000 1.110 579 T CB 0.010 69.107 68.868 0.382 0.000 0.921 579 T HN 0.425 nan 8.240 nan 0.000 0.480 580 R N 1.514 122.188 120.500 0.290 0.000 2.983 580 R HA 0.209 4.548 4.340 -0.001 0.000 0.300 580 R C -1.941 174.594 176.300 0.392 0.000 1.367 580 R CA -1.568 54.691 56.100 0.264 0.000 1.564 580 R CB 0.806 31.277 30.300 0.284 0.000 1.314 580 R HN 0.219 nan 8.270 nan 0.000 0.622 581 P HA -0.173 nan 4.420 nan 0.000 0.216 581 P C 0.588 178.189 177.300 0.502 0.000 1.157 581 P CA 1.200 64.569 63.100 0.448 0.000 0.880 581 P CB 0.254 32.080 31.700 0.210 0.000 0.791 582 V N 0.302 120.368 119.914 0.254 0.000 2.785 582 V HA 0.475 4.594 4.120 -0.001 0.000 0.300 582 V C 0.802 176.766 176.094 -0.216 0.000 1.062 582 V CA -0.611 61.758 62.300 0.114 0.000 1.029 582 V CB 0.827 32.673 31.823 0.039 0.000 1.024 582 V HN 0.198 nan 8.190 nan 0.000 0.477 583 A N 4.203 126.860 122.820 -0.271 0.000 2.306 583 A HA 0.892 5.211 4.320 -0.001 0.000 0.330 583 A C -0.064 177.470 177.584 -0.084 0.000 1.146 583 A CA -0.785 50.971 52.037 -0.468 0.000 0.827 583 A CB 0.923 19.864 19.000 -0.099 0.000 1.178 583 A HN 1.002 nan 8.150 nan 0.000 0.490 584 R N 1.785 122.275 120.500 -0.016 0.000 2.744 584 R HA 0.431 4.770 4.340 -0.001 0.000 0.279 584 R C -0.755 175.577 176.300 0.053 0.000 0.977 584 R CA -0.828 55.294 56.100 0.036 0.000 0.906 584 R CB 1.127 31.424 30.300 -0.006 0.000 1.197 584 R HN 0.665 nan 8.270 nan 0.000 0.463 585 N N 0.800 119.530 118.700 0.051 0.000 2.479 585 N HA 0.006 4.745 4.740 -0.001 0.000 0.257 585 N C -0.364 175.099 175.510 -0.078 0.000 1.232 585 N CA 0.452 53.489 53.050 -0.023 0.000 0.920 585 N CB 1.352 39.853 38.487 0.022 0.000 1.105 585 N HN 0.703 nan 8.380 nan 0.000 0.444 586 T N 1.767 116.229 114.554 -0.153 0.000 2.990 586 T HA 0.086 4.435 4.350 -0.001 0.000 0.249 586 T C -0.330 174.403 174.700 0.056 0.000 1.039 586 T CA 0.476 62.533 62.100 -0.072 0.000 1.036 586 T CB 0.160 68.952 68.868 -0.127 0.000 0.994 586 T HN 0.689 nan 8.240 nan 0.000 0.489 587 Y N 0.000 120.220 120.300 -0.133 0.000 2.660 587 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 587 Y CA 0.000 58.050 58.100 -0.084 0.000 1.940 587 Y CB 0.000 38.414 38.460 -0.077 0.000 1.050 587 Y HN 0.000 nan 8.280 nan 0.000 0.758