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 2hb6_1_B DATA FIRST_RESID 2 DATA SEQUENCE TQVLVRNGIQ AVGDGLTSLI IVGKKSVLKN VTFEGKFKEV AQKFVTDGDS DATA SEQUENCE WNSMISRIPA SGRHPLHYEL AHLITVPDAS SRGNTPTNAH SIYKELKPIN DATA SEQUENCE YPEDTKNVHF VLFAEYPDVL SHVAAIARTF CKFSMKTSGI RELNVNIDVV DATA SEQUENCE CDKLTNEDAV FLTDLSESVR ETARLIDTPA NILTTDALVD EAVKVGNATG DATA SEQUENCE SKITVIRGEE LLKAGFGGIY HVGKAGPTPP AFVVLSHEVP GSTEHIALVG DATA SEQUENCE KGVVYDTGGL QIKTKTGMPN MKRDMGGAAG MLEAYSALVK HGFSQTLHAC DATA SEQUENCE LCIVENNVSP IANKPDDIIK MLSGKTVEIN NTDAEGRLIL ADGVFYAKET DATA SEQUENCE LKATTIFDMA TLTGAQAWLS GRLHGAAMTN DEQLENEIIK AGKASGDLVA DATA SEQUENCE PMLFAPDLFF GDLKSSIADM KNSNLGKMDG PPSAVAGLLI GAHIGFGEGL DATA SEQUENCE RWLHLDIAAP AEVGDRGTGY GPALFSTLLG KYTSVPMLK 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.671 174.700 -0.048 0.000 1.109 2 T CA 0.000 62.091 62.100 -0.014 0.000 1.349 2 T CB 0.000 68.887 68.868 0.032 0.000 0.612 3 Q N 1.688 121.436 119.800 -0.087 0.000 2.245 3 Q HA 0.723 5.064 4.340 0.001 0.000 0.256 3 Q C -0.993 174.914 176.000 -0.154 0.000 0.942 3 Q CA -0.774 54.973 55.803 -0.094 0.000 0.896 3 Q CB 2.149 30.843 28.738 -0.074 0.000 1.272 3 Q HN 0.467 nan 8.270 nan 0.000 0.442 4 V N 4.253 124.086 119.914 -0.136 0.000 2.444 4 V HA 0.383 4.503 4.120 0.001 0.000 0.294 4 V C -0.937 175.094 176.094 -0.106 0.000 1.022 4 V CA -0.738 61.464 62.300 -0.164 0.000 0.850 4 V CB 1.635 33.354 31.823 -0.173 0.000 0.992 4 V HN 0.568 nan 8.190 nan 0.000 0.426 5 L N 6.514 127.682 121.223 -0.092 0.000 2.341 5 L HA 0.765 5.105 4.340 0.001 0.000 0.278 5 L C -0.601 176.242 176.870 -0.044 0.000 1.005 5 L CA -0.128 54.676 54.840 -0.061 0.000 0.818 5 L CB 2.056 44.084 42.059 -0.052 0.000 1.259 5 L HN 0.420 nan 8.230 nan 0.000 0.418 6 V N 5.672 125.563 119.914 -0.038 0.000 2.394 6 V HA 0.601 4.721 4.120 0.001 0.000 0.282 6 V C 0.104 176.197 176.094 -0.001 0.000 1.031 6 V CA -0.556 61.732 62.300 -0.020 0.000 0.881 6 V CB 1.277 33.080 31.823 -0.034 0.000 0.982 6 V HN 0.749 nan 8.190 nan 0.000 0.451 7 R N 2.760 123.268 120.500 0.013 0.000 2.711 7 R HA 0.415 4.756 4.340 0.001 0.000 0.284 7 R C -0.502 175.810 176.300 0.019 0.000 0.968 7 R CA -0.943 55.166 56.100 0.016 0.000 0.924 7 R CB 1.454 31.764 30.300 0.016 0.000 1.162 7 R HN 0.629 nan 8.270 nan 0.000 0.465 8 N N 1.140 119.851 118.700 0.018 0.000 2.555 8 N HA 0.225 4.965 4.740 0.001 0.000 0.244 8 N C -0.627 174.887 175.510 0.007 0.000 1.114 8 N CA 0.677 53.736 53.050 0.015 0.000 0.963 8 N CB 0.442 38.940 38.487 0.018 0.000 1.276 8 N HN 0.818 nan 8.380 nan 0.000 0.510 9 G N 2.200 111.000 108.800 0.000 0.000 2.617 9 G HA2 -0.125 3.836 3.960 0.001 0.000 0.686 9 G HA3 -0.125 3.836 3.960 0.001 0.000 0.686 9 G C -0.498 174.409 174.900 0.012 0.000 1.214 9 G CA -0.869 44.229 45.100 -0.003 0.000 0.796 9 G HN 0.486 nan 8.290 nan 0.000 0.654 10 I N 1.536 122.112 120.570 0.010 0.000 2.598 10 I HA 0.220 4.391 4.170 0.001 0.000 0.284 10 I C 0.923 177.084 176.117 0.072 0.000 1.140 10 I CA 0.692 62.027 61.300 0.059 0.000 1.420 10 I CB 0.649 38.677 38.000 0.047 0.000 1.387 10 I HN 0.572 nan 8.210 nan 0.000 0.553 11 Q N 4.010 123.871 119.800 0.102 0.000 2.528 11 Q HA 0.718 5.058 4.340 0.001 0.000 0.289 11 Q C -0.599 175.404 176.000 0.005 0.000 1.091 11 Q CA -0.948 54.876 55.803 0.036 0.000 0.797 11 Q CB 2.089 30.827 28.738 -0.001 0.000 1.466 11 Q HN 0.763 nan 8.270 nan 0.000 0.436 12 A N 0.502 123.299 122.820 -0.038 0.000 2.425 12 A HA 0.498 4.819 4.320 0.001 0.000 0.242 12 A C 0.001 177.475 177.584 -0.184 0.000 1.077 12 A CA -0.287 51.698 52.037 -0.086 0.000 0.781 12 A CB 0.044 19.009 19.000 -0.059 0.000 1.020 12 A HN 0.535 nan 8.150 nan 0.000 0.494 13 V N -0.291 119.479 119.914 -0.241 0.000 3.177 13 V HA 0.903 5.023 4.120 0.001 0.000 0.319 13 V C 0.818 176.825 176.094 -0.144 0.000 1.125 13 V CA -0.304 61.843 62.300 -0.255 0.000 1.029 13 V CB 0.802 32.396 31.823 -0.382 0.000 1.119 13 V HN 1.397 nan 8.190 nan 0.000 0.452 14 G N 0.244 108.972 108.800 -0.120 0.000 2.712 14 G HA2 0.257 4.217 3.960 0.001 0.000 0.258 14 G HA3 0.257 4.217 3.960 0.001 0.000 0.258 14 G C -0.357 174.501 174.900 -0.069 0.000 1.241 14 G CA -0.255 44.796 45.100 -0.083 0.000 0.923 14 G HN 0.869 nan 8.290 nan 0.000 0.548 15 D N -0.506 119.862 120.400 -0.053 0.000 2.360 15 D HA 0.510 5.150 4.640 0.001 0.000 0.242 15 D C 0.802 177.078 176.300 -0.041 0.000 1.184 15 D CA 1.565 55.539 54.000 -0.043 0.000 0.930 15 D CB 1.137 41.917 40.800 -0.035 0.000 1.161 15 D HN 0.931 nan 8.370 nan 0.000 0.447 16 G N -0.341 108.439 108.800 -0.033 0.000 2.576 16 G HA2 -0.019 3.941 3.960 0.001 0.000 0.686 16 G HA3 -0.019 3.941 3.960 0.001 0.000 0.686 16 G C -0.907 173.978 174.900 -0.025 0.000 1.242 16 G CA -1.008 44.075 45.100 -0.027 0.000 0.819 16 G HN 0.428 nan 8.290 nan 0.000 0.655 17 L N 1.144 122.358 121.223 -0.015 0.000 2.601 17 L HA 0.511 4.851 4.340 0.001 0.000 0.277 17 L C 0.880 177.742 176.870 -0.013 0.000 1.219 17 L CA 0.965 55.800 54.840 -0.007 0.000 0.915 17 L CB 0.185 42.248 42.059 0.006 0.000 1.160 17 L HN 0.729 nan 8.230 nan 0.000 0.494 18 T N 3.819 118.373 114.554 -0.000 0.000 2.856 18 T HA 0.446 4.797 4.350 0.001 0.000 0.283 18 T C -0.343 174.373 174.700 0.025 0.000 1.008 18 T CA -0.529 61.573 62.100 0.004 0.000 0.997 18 T CB 1.388 70.272 68.868 0.026 0.000 0.992 18 T HN 0.611 nan 8.240 nan 0.000 0.454 19 S N 2.127 117.809 115.700 -0.031 0.000 2.451 19 S HA 0.596 5.066 4.470 0.001 0.000 0.301 19 S C -0.813 173.726 174.600 -0.101 0.000 1.116 19 S CA -0.659 57.504 58.200 -0.061 0.000 1.093 19 S CB 0.668 63.871 63.200 0.006 0.000 1.017 19 S HN 0.539 nan 8.310 nan 0.000 0.482 20 L N 5.465 126.581 121.223 -0.178 0.000 2.313 20 L HA 0.682 5.023 4.340 0.001 0.000 0.283 20 L C -1.350 175.395 176.870 -0.208 0.000 1.013 20 L CA -0.158 54.586 54.840 -0.159 0.000 0.816 20 L CB 0.706 42.752 42.059 -0.021 0.000 1.236 20 L HN 0.608 nan 8.230 nan 0.000 0.419 21 I N 6.409 126.826 120.570 -0.255 0.000 2.447 21 I HA 0.408 4.578 4.170 0.001 0.000 0.287 21 I C -0.664 175.480 176.117 0.045 0.000 1.023 21 I CA -0.364 60.865 61.300 -0.119 0.000 1.083 21 I CB 1.708 39.572 38.000 -0.226 0.000 1.245 21 I HN 0.511 nan 8.210 nan 0.000 0.434 22 I N 6.836 127.517 120.570 0.185 0.000 2.359 22 I HA 0.474 4.645 4.170 0.001 0.000 0.294 22 I C -0.586 175.720 176.117 0.315 0.000 0.987 22 I CA -0.806 60.669 61.300 0.292 0.000 1.225 22 I CB 1.684 39.972 38.000 0.481 0.000 1.366 22 I HN 0.170 nan 8.210 nan 0.000 0.466 23 V N 4.521 124.617 119.914 0.303 0.000 2.638 23 V HA 0.939 5.059 4.120 0.001 0.000 0.306 23 V C 0.097 176.375 176.094 0.307 0.000 1.052 23 V CA -0.465 61.993 62.300 0.264 0.000 0.885 23 V CB 1.663 33.614 31.823 0.213 0.000 0.999 23 V HN 0.986 nan 8.190 nan 0.000 0.424 24 G N 2.709 111.666 108.800 0.262 0.000 2.616 24 G HA2 0.440 4.401 3.960 0.001 0.000 0.294 24 G HA3 0.440 4.401 3.960 0.001 0.000 0.294 24 G C -1.459 173.551 174.900 0.183 0.000 1.489 24 G CA -0.988 44.275 45.100 0.271 0.000 0.836 24 G HN 0.562 nan 8.290 nan 0.000 0.527 25 K N 0.319 120.829 120.400 0.184 0.000 2.414 25 K HA 0.085 4.406 4.320 0.001 0.000 0.272 25 K C 1.303 177.954 176.600 0.086 0.000 0.993 25 K CA -0.242 56.122 56.287 0.129 0.000 0.964 25 K CB 1.234 33.815 32.500 0.135 0.000 0.925 25 K HN 0.478 nan 8.250 nan 0.000 0.487 26 K N 1.713 122.147 120.400 0.057 0.000 2.044 26 K HA -0.214 4.106 4.320 0.001 0.000 0.210 26 K C 1.916 178.522 176.600 0.010 0.000 1.049 26 K CA 2.344 58.644 56.287 0.022 0.000 0.927 26 K CB -0.303 32.204 32.500 0.011 0.000 0.713 26 K HN 0.663 nan 8.250 nan 0.000 0.443 27 S N -0.852 114.861 115.700 0.021 0.000 2.402 27 S HA -0.093 4.378 4.470 0.001 0.000 0.229 27 S C 2.019 176.625 174.600 0.010 0.000 1.021 27 S CA 1.213 59.421 58.200 0.013 0.000 0.974 27 S CB -0.540 62.673 63.200 0.021 0.000 0.800 27 S HN 0.071 nan 8.310 nan 0.000 0.484 28 V N 2.133 122.062 119.914 0.024 0.000 2.323 28 V HA -0.029 4.091 4.120 0.001 0.000 0.244 28 V C 2.555 178.614 176.094 -0.058 0.000 1.041 28 V CA 1.542 63.847 62.300 0.009 0.000 1.025 28 V CB -0.843 31.021 31.823 0.068 0.000 0.656 28 V HN 0.447 nan 8.190 nan 0.000 0.451 29 L N -0.439 120.765 121.223 -0.031 0.000 2.131 29 L HA -0.199 4.142 4.340 0.001 0.000 0.210 29 L C 2.562 179.432 176.870 -0.001 0.000 1.092 29 L CA 1.581 56.399 54.840 -0.037 0.000 0.759 29 L CB -0.621 41.458 42.059 0.034 0.000 0.903 29 L HN 0.289 nan 8.230 nan 0.000 0.435 30 K N 0.300 120.686 120.400 -0.023 0.000 2.152 30 K HA -0.157 4.164 4.320 0.001 0.000 0.206 30 K C 1.385 177.996 176.600 0.020 0.000 1.048 30 K CA 1.554 57.832 56.287 -0.015 0.000 0.933 30 K CB -0.139 32.346 32.500 -0.025 0.000 0.721 30 K HN 0.451 nan 8.250 nan 0.000 0.447 31 N N -0.111 118.586 118.700 -0.005 0.000 2.336 31 N HA 0.019 4.759 4.740 0.001 0.000 0.189 31 N C -0.761 174.730 175.510 -0.031 0.000 1.113 31 N CA -0.360 52.686 53.050 -0.006 0.000 0.858 31 N CB 0.752 39.230 38.487 -0.014 0.000 0.970 31 N HN -0.146 nan 8.380 nan 0.000 0.471 32 V N 1.878 121.748 119.914 -0.072 0.000 2.521 32 V HA 0.031 4.152 4.120 0.001 0.000 0.286 32 V C 0.468 176.583 176.094 0.036 0.000 1.034 32 V CA 0.122 62.304 62.300 -0.197 0.000 1.045 32 V CB 0.969 32.425 31.823 -0.613 0.000 0.974 32 V HN 0.136 nan 8.190 nan 0.000 0.480 33 T N 6.259 120.822 114.554 0.014 0.000 2.780 33 T HA 0.266 4.617 4.350 0.001 0.000 0.294 33 T C -0.134 174.654 174.700 0.147 0.000 0.949 33 T CA -0.087 62.077 62.100 0.107 0.000 1.074 33 T CB 0.255 69.168 68.868 0.075 0.000 0.910 33 T HN 0.436 nan 8.240 nan 0.000 0.501 34 F N 5.464 125.418 119.950 0.007 0.000 2.651 34 F HA 0.238 4.765 4.527 0.001 0.000 0.347 34 F C 0.813 176.599 175.800 -0.024 0.000 1.284 34 F CA -0.351 57.604 58.000 -0.075 0.000 1.175 34 F CB -0.504 38.402 39.000 -0.157 0.000 1.542 34 F HN 0.661 nan 8.300 nan 0.000 0.661 35 E N 2.866 122.969 120.200 -0.163 0.000 2.423 35 E HA 0.624 4.975 4.350 0.001 0.000 0.280 35 E C 0.234 176.757 176.600 -0.129 0.000 1.030 35 E CA -0.678 55.648 56.400 -0.124 0.000 0.812 35 E CB 1.107 30.802 29.700 -0.008 0.000 1.313 35 E HN 0.611 nan 8.360 nan 0.000 0.456 36 G N 2.019 110.757 108.800 -0.104 0.000 2.550 36 G HA2 -0.405 3.556 3.960 0.001 0.000 0.277 36 G HA3 -0.405 3.556 3.960 0.001 0.000 0.277 36 G C 0.543 175.393 174.900 -0.082 0.000 1.190 36 G CA 0.545 45.608 45.100 -0.063 0.000 0.971 36 G HN 0.621 nan 8.290 nan 0.000 0.559 37 K N -0.601 119.785 120.400 -0.024 0.000 2.097 37 K HA 0.079 4.400 4.320 0.001 0.000 0.206 37 K C 2.324 178.920 176.600 -0.007 0.000 1.049 37 K CA 1.784 58.064 56.287 -0.011 0.000 0.933 37 K CB -0.203 32.313 32.500 0.026 0.000 0.717 37 K HN 0.334 nan 8.250 nan 0.000 0.442 38 F N 2.471 122.330 119.950 -0.151 0.000 2.075 38 F HA -0.183 4.345 4.527 0.001 0.000 0.297 38 F C 2.172 177.731 175.800 -0.402 0.000 1.113 38 F CA 1.538 59.420 58.000 -0.196 0.000 1.218 38 F CB -0.323 38.612 39.000 -0.108 0.000 0.984 38 F HN -0.158 nan 8.300 nan 0.000 0.472 39 K N 0.483 120.389 120.400 -0.824 0.000 2.059 39 K HA -0.318 4.002 4.320 0.001 0.000 0.212 39 K C 2.260 178.468 176.600 -0.654 0.000 1.050 39 K CA 2.148 57.702 56.287 -1.221 0.000 0.927 39 K CB -0.573 31.382 32.500 -0.907 0.000 0.714 39 K HN 0.531 nan 8.250 nan 0.000 0.447 40 E N -0.038 119.941 120.200 -0.367 0.000 2.085 40 E HA -0.181 4.170 4.350 0.001 0.000 0.194 40 E C 1.864 178.356 176.600 -0.181 0.000 0.994 40 E CA 1.470 57.744 56.400 -0.210 0.000 0.801 40 E CB 0.112 29.737 29.700 -0.125 0.000 0.743 40 E HN 0.220 nan 8.360 nan 0.000 0.453 41 V N 0.560 120.365 119.914 -0.181 0.000 2.407 41 V HA -0.128 3.993 4.120 0.001 0.000 0.245 41 V C 2.231 178.251 176.094 -0.123 0.000 1.041 41 V CA 1.693 63.940 62.300 -0.089 0.000 1.040 41 V CB -0.126 31.692 31.823 -0.008 0.000 0.671 41 V HN 0.432 nan 8.190 nan 0.000 0.455 42 A N 0.054 122.679 122.820 -0.325 0.000 2.081 42 A HA -0.119 4.202 4.320 0.001 0.000 0.214 42 A C 2.155 179.744 177.584 0.009 0.000 1.158 42 A CA 0.951 52.873 52.037 -0.191 0.000 0.724 42 A CB -0.312 18.330 19.000 -0.597 0.000 0.826 42 A HN 0.706 nan 8.150 nan 0.000 0.463 43 Q N -0.308 119.451 119.800 -0.068 0.000 2.364 43 Q HA -0.108 4.232 4.340 0.001 0.000 0.207 43 Q C 1.724 177.687 176.000 -0.061 0.000 0.970 43 Q CA 1.206 57.055 55.803 0.076 0.000 0.888 43 Q CB -0.279 28.487 28.738 0.046 0.000 0.951 43 Q HN 0.376 nan 8.270 nan 0.000 0.469 44 K N 0.340 120.593 120.400 -0.245 0.000 2.113 44 K HA -0.152 4.169 4.320 0.001 0.000 0.208 44 K C 1.030 177.270 176.600 -0.601 0.000 1.047 44 K CA 1.490 57.447 56.287 -0.548 0.000 0.928 44 K CB -0.017 31.913 32.500 -0.950 0.000 0.716 44 K HN 0.361 nan 8.250 nan 0.000 0.446 45 F N -0.955 119.019 119.950 0.040 0.000 2.637 45 F HA 0.135 4.663 4.527 0.001 0.000 0.284 45 F C 0.671 176.528 175.800 0.096 0.000 1.105 45 F CA -0.365 57.680 58.000 0.074 0.000 1.356 45 F CB 0.346 39.380 39.000 0.057 0.000 1.096 45 F HN -0.378 nan 8.300 nan 0.000 0.616 46 V N 0.752 120.824 119.914 0.263 0.000 2.398 46 V HA 0.208 4.328 4.120 0.001 0.000 0.286 46 V C 0.815 176.934 176.094 0.042 0.000 1.026 46 V CA -0.247 62.149 62.300 0.160 0.000 0.868 46 V CB 1.258 33.204 31.823 0.205 0.000 0.982 46 V HN 0.177 nan 8.190 nan 0.000 0.443 47 T N 3.803 118.345 114.554 -0.020 0.000 2.643 47 T HA -0.074 4.276 4.350 0.001 0.000 0.264 47 T C 0.403 175.075 174.700 -0.046 0.000 1.045 47 T CA 2.056 64.147 62.100 -0.015 0.000 1.155 47 T CB -0.085 68.774 68.868 -0.014 0.000 0.863 47 T HN 0.990 nan 8.240 nan 0.000 0.420 48 D N -2.272 118.002 120.400 -0.211 0.000 2.825 48 D HA 0.463 5.104 4.640 0.001 0.000 0.327 48 D C 1.125 177.071 176.300 -0.590 0.000 1.277 48 D CA -0.188 53.675 54.000 -0.227 0.000 0.950 48 D CB 0.106 40.890 40.800 -0.026 0.000 1.438 48 D HN 0.031 nan 8.370 nan 0.000 0.526 49 G N -0.812 107.855 108.800 -0.222 0.000 2.432 49 G HA2 -0.219 3.742 3.960 0.001 0.000 0.219 49 G HA3 -0.219 3.742 3.960 0.001 0.000 0.219 49 G C 0.772 175.676 174.900 0.007 0.000 1.135 49 G CA 0.929 45.994 45.100 -0.059 0.000 0.767 49 G HN 0.489 nan 8.290 nan 0.000 0.550 50 D N 0.801 121.191 120.400 -0.017 0.000 2.103 50 D HA -0.118 4.523 4.640 0.001 0.000 0.199 50 D C 3.001 179.284 176.300 -0.028 0.000 0.978 50 D CA 1.618 55.616 54.000 -0.003 0.000 0.829 50 D CB -0.373 40.425 40.800 -0.004 0.000 0.981 50 D HN 0.457 nan 8.370 nan 0.000 0.464 51 S N 0.375 116.038 115.700 -0.061 0.000 2.382 51 S HA -0.174 4.297 4.470 0.001 0.000 0.228 51 S C 2.055 176.625 174.600 -0.052 0.000 1.027 51 S CA 0.638 58.801 58.200 -0.062 0.000 0.991 51 S CB -0.986 62.176 63.200 -0.063 0.000 0.823 51 S HN 0.513 nan 8.310 nan 0.000 0.469 52 W N 3.185 124.312 121.300 -0.289 0.000 2.315 52 W HA -0.209 4.451 4.660 0.001 0.000 0.323 52 W C 1.724 178.189 176.519 -0.089 0.000 1.233 52 W CA 1.903 59.119 57.345 -0.215 0.000 1.267 52 W CB -0.740 28.523 29.460 -0.329 0.000 1.160 52 W HN 0.356 nan 8.180 nan 0.000 0.474 53 N N 0.319 118.991 118.700 -0.046 0.000 2.188 53 N HA -0.176 4.564 4.740 0.001 0.000 0.184 53 N C 1.948 177.356 175.510 -0.170 0.000 1.018 53 N CA 1.701 54.674 53.050 -0.128 0.000 0.858 53 N CB -0.859 37.642 38.487 0.023 0.000 0.989 53 N HN 0.122 nan 8.380 nan 0.000 0.426 54 S N 1.185 116.811 115.700 -0.122 0.000 2.359 54 S HA -0.104 4.366 4.470 0.001 0.000 0.224 54 S C 1.936 176.438 174.600 -0.163 0.000 1.035 54 S CA 0.974 59.107 58.200 -0.113 0.000 1.018 54 S CB -0.131 63.024 63.200 -0.075 0.000 0.876 54 S HN 0.298 nan 8.310 nan 0.000 0.448 55 M N 0.642 120.114 119.600 -0.213 0.000 2.086 55 M HA -0.074 4.407 4.480 0.001 0.000 0.261 55 M C 1.709 177.801 176.300 -0.347 0.000 1.067 55 M CA 1.647 56.792 55.300 -0.258 0.000 1.116 55 M CB -0.306 32.143 32.600 -0.251 0.000 1.348 55 M HN 0.324 nan 8.290 nan 0.000 0.407 56 I N 0.388 120.669 120.570 -0.482 0.000 2.264 56 I HA -0.249 3.921 4.170 0.001 0.000 0.248 56 I C 2.393 178.348 176.117 -0.271 0.000 1.111 56 I CA 1.349 62.375 61.300 -0.456 0.000 1.382 56 I CB -1.702 35.940 38.000 -0.597 0.000 1.060 56 I HN 0.349 nan 8.210 nan 0.000 0.418 57 S N 0.639 116.211 115.700 -0.213 0.000 2.370 57 S HA -0.145 4.326 4.470 0.001 0.000 0.226 57 S C 2.045 176.568 174.600 -0.128 0.000 1.033 57 S CA 1.067 59.183 58.200 -0.139 0.000 1.011 57 S CB -0.145 62.992 63.200 -0.104 0.000 0.852 57 S HN 0.394 nan 8.310 nan 0.000 0.457 58 R N 0.474 120.884 120.500 -0.149 0.000 2.090 58 R HA 0.199 4.540 4.340 0.001 0.000 0.228 58 R C 0.892 177.107 176.300 -0.142 0.000 1.110 58 R CA 0.288 56.312 56.100 -0.125 0.000 0.973 58 R CB -0.567 29.660 30.300 -0.122 0.000 0.869 58 R HN 0.397 nan 8.270 nan 0.000 0.440 59 I N 3.685 124.121 120.570 -0.223 0.000 2.692 59 I HA -0.008 4.163 4.170 0.001 0.000 0.284 59 I C -1.520 174.525 176.117 -0.121 0.000 1.159 59 I CA -1.536 59.592 61.300 -0.286 0.000 1.423 59 I CB 0.809 38.529 38.000 -0.467 0.000 1.380 59 I HN -0.007 nan 8.210 nan 0.000 0.580 60 P HA 0.042 nan 4.420 nan 0.000 0.293 60 P C 0.243 177.549 177.300 0.011 0.000 1.298 60 P CA -0.275 62.832 63.100 0.010 0.000 0.757 60 P CB 0.423 32.155 31.700 0.054 0.000 1.262 61 A N -0.472 122.358 122.820 0.017 0.000 2.076 61 A HA -0.020 4.300 4.320 0.001 0.000 0.220 61 A C 1.066 178.670 177.584 0.034 0.000 1.160 61 A CA 1.950 53.998 52.037 0.018 0.000 0.653 61 A CB -1.038 17.973 19.000 0.018 0.000 0.801 61 A HN 0.779 nan 8.150 nan 0.000 0.455 62 S N -4.452 111.280 115.700 0.052 0.000 2.578 62 S HA 0.633 5.103 4.470 0.001 0.000 0.272 62 S C -0.395 174.258 174.600 0.087 0.000 1.145 62 S CA 0.402 58.641 58.200 0.064 0.000 0.835 62 S CB 0.853 64.080 63.200 0.046 0.000 1.104 62 S HN 2.120 nan 8.310 nan 0.000 0.458 63 G N 0.953 109.801 108.800 0.080 0.000 2.340 63 G HA2 0.381 4.342 3.960 0.001 0.000 0.282 63 G HA3 0.381 4.342 3.960 0.001 0.000 0.282 63 G C -1.991 172.930 174.900 0.035 0.000 1.312 63 G CA -0.782 44.343 45.100 0.041 0.000 0.942 63 G HN 0.788 nan 8.290 nan 0.000 0.495 64 R N 0.287 120.715 120.500 -0.120 0.000 2.575 64 R HA 0.616 4.956 4.340 0.001 0.000 0.293 64 R C -1.584 174.541 176.300 -0.293 0.000 0.983 64 R CA -0.614 55.434 56.100 -0.088 0.000 0.887 64 R CB 1.365 31.606 30.300 -0.099 0.000 1.184 64 R HN 0.734 nan 8.270 nan 0.000 0.445 65 H N 3.610 122.732 119.070 0.086 0.000 2.744 65 H HA 0.340 4.896 4.556 0.001 0.000 0.339 65 H C -2.261 173.147 175.328 0.133 0.000 1.004 65 H CA -1.512 54.589 56.048 0.088 0.000 1.257 65 H CB 2.066 31.855 29.762 0.044 0.000 1.552 65 H HN 0.345 nan 8.280 nan 0.000 0.522 66 P HA 0.050 nan 4.420 nan 0.000 0.276 66 P C 0.071 177.388 177.300 0.028 0.000 1.230 66 P CA -0.160 62.982 63.100 0.071 0.000 0.776 66 P CB 1.548 33.281 31.700 0.056 0.000 0.888 67 L N 1.428 122.606 121.223 -0.075 0.000 2.728 67 L HA 0.321 4.661 4.340 0.001 0.000 0.238 67 L C 1.008 177.938 176.870 0.099 0.000 1.143 67 L CA 0.141 54.998 54.840 0.027 0.000 0.937 67 L CB -0.279 41.797 42.059 0.028 0.000 1.225 67 L HN 0.593 nan 8.230 nan 0.000 0.507 68 H N -1.373 117.624 119.070 -0.122 0.000 2.987 68 H HA 0.029 4.586 4.556 0.001 0.000 0.316 68 H C -0.382 174.889 175.328 -0.096 0.000 1.380 68 H CA -0.514 55.492 56.048 -0.071 0.000 1.160 68 H CB 1.243 30.893 29.762 -0.187 0.000 1.865 68 H HN 0.075 nan 8.280 nan 0.000 0.521 69 Y N 1.328 121.334 120.300 -0.490 0.000 2.497 69 Y HA 0.031 4.582 4.550 0.001 0.000 0.292 69 Y C 1.316 177.194 175.900 -0.037 0.000 1.137 69 Y CA 1.690 59.657 58.100 -0.221 0.000 1.285 69 Y CB 0.163 38.486 38.460 -0.228 0.000 0.991 69 Y HN 0.685 nan 8.280 nan 0.000 0.556 70 E N -0.984 119.089 120.200 -0.211 0.000 2.626 70 E HA 0.135 4.485 4.350 0.001 0.000 0.194 70 E C 0.828 177.389 176.600 -0.065 0.000 0.950 70 E CA 0.139 56.502 56.400 -0.063 0.000 1.583 70 E CB -0.878 28.802 29.700 -0.033 0.000 1.881 70 E HN 0.430 nan 8.360 nan 0.000 0.979 71 L N 1.465 122.628 121.223 -0.100 0.000 2.607 71 L HA 0.580 4.921 4.340 0.001 0.000 0.228 71 L C 0.370 176.903 176.870 -0.561 0.000 1.123 71 L CA 0.214 54.873 54.840 -0.302 0.000 0.890 71 L CB 1.019 42.826 42.059 -0.420 0.000 1.103 71 L HN 0.270 nan 8.230 nan 0.000 0.468 72 A N -0.957 121.439 122.820 -0.707 0.000 2.589 72 A HA 0.742 5.062 4.320 0.001 0.000 0.296 72 A C -1.328 175.788 177.584 -0.780 0.000 1.062 72 A CA -0.465 51.081 52.037 -0.818 0.000 0.686 72 A CB 1.197 19.314 19.000 -1.472 0.000 1.282 72 A HN 0.123 nan 8.150 nan 0.000 0.404 73 H N 0.627 119.612 119.070 -0.141 0.000 2.996 73 H HA 0.523 5.080 4.556 0.001 0.000 0.368 73 H C -1.690 173.679 175.328 0.068 0.000 1.185 73 H CA -0.638 55.401 56.048 -0.016 0.000 1.160 73 H CB 1.960 31.713 29.762 -0.016 0.000 1.820 73 H HN 0.613 nan 8.280 nan 0.000 0.547 74 L N 2.998 124.375 121.223 0.257 0.000 2.296 74 L HA 0.454 4.795 4.340 0.001 0.000 0.286 74 L C -0.859 176.154 176.870 0.238 0.000 1.023 74 L CA -0.290 54.711 54.840 0.269 0.000 0.812 74 L CB 0.468 42.685 42.059 0.262 0.000 1.223 74 L HN 0.467 nan 8.230 nan 0.000 0.421 75 I N 4.496 125.194 120.570 0.212 0.000 2.312 75 I HA 0.297 4.468 4.170 0.001 0.000 0.290 75 I C -0.027 176.180 176.117 0.152 0.000 1.008 75 I CA -0.462 60.931 61.300 0.155 0.000 1.226 75 I CB 1.536 39.606 38.000 0.118 0.000 1.371 75 I HN 0.669 nan 8.210 nan 0.000 0.468 76 T N 3.829 118.465 114.554 0.137 0.000 2.744 76 T HA 0.529 4.879 4.350 0.001 0.000 0.291 76 T C -0.195 174.551 174.700 0.076 0.000 0.957 76 T CA -0.718 61.446 62.100 0.107 0.000 1.002 76 T CB 1.223 70.147 68.868 0.093 0.000 0.919 76 T HN 0.162 nan 8.240 nan 0.000 0.468 77 V N 6.386 126.341 119.914 0.067 0.000 2.465 77 V HA 0.391 4.512 4.120 0.001 0.000 0.279 77 V C -1.885 174.245 176.094 0.060 0.000 1.045 77 V CA -2.205 60.121 62.300 0.044 0.000 0.938 77 V CB 1.047 32.877 31.823 0.013 0.000 0.986 77 V HN 0.802 nan 8.190 nan 0.000 0.467 78 P HA 0.112 nan 4.420 nan 0.000 0.269 78 P C 0.034 177.371 177.300 0.062 0.000 1.209 78 P CA 0.016 63.148 63.100 0.052 0.000 0.776 78 P CB 1.118 32.846 31.700 0.046 0.000 0.876 79 D N 0.776 121.208 120.400 0.053 0.000 2.183 79 D HA 0.003 4.644 4.640 0.001 0.000 0.205 79 D C 0.894 177.223 176.300 0.048 0.000 0.962 79 D CA 0.800 54.832 54.000 0.054 0.000 0.849 79 D CB 0.212 41.037 40.800 0.041 0.000 0.978 79 D HN 0.437 nan 8.370 nan 0.000 0.488 80 A N 0.751 123.595 122.820 0.040 0.000 2.340 80 A HA 0.478 4.798 4.320 0.001 0.000 0.268 80 A C 0.222 177.829 177.584 0.039 0.000 1.100 80 A CA -0.142 51.916 52.037 0.034 0.000 0.803 80 A CB 0.651 19.667 19.000 0.026 0.000 1.043 80 A HN 0.140 nan 8.150 nan 0.000 0.488 81 S N 0.422 116.144 115.700 0.037 0.000 2.537 81 S HA 0.666 5.137 4.470 0.001 0.000 0.270 81 S C -0.290 174.329 174.600 0.032 0.000 1.142 81 S CA -0.091 58.132 58.200 0.039 0.000 0.870 81 S CB 0.999 64.229 63.200 0.050 0.000 1.112 81 S HN 1.747 nan 8.310 nan 0.000 0.466 82 S N 1.190 116.909 115.700 0.031 0.000 2.614 82 S HA 0.333 4.804 4.470 0.001 0.000 0.265 82 S C 1.368 175.988 174.600 0.032 0.000 1.303 82 S CA -0.528 57.688 58.200 0.026 0.000 1.000 82 S CB 0.524 63.736 63.200 0.021 0.000 0.935 82 S HN 1.044 nan 8.310 nan 0.000 0.551 83 R N 0.285 120.801 120.500 0.026 0.000 2.148 83 R HA 0.027 4.367 4.340 0.001 0.000 0.227 83 R C 1.775 178.101 176.300 0.043 0.000 1.103 83 R CA 1.369 57.487 56.100 0.029 0.000 0.983 83 R CB -1.200 29.112 30.300 0.020 0.000 0.874 83 R HN 0.706 nan 8.270 nan 0.000 0.451 84 G N 0.729 109.555 108.800 0.045 0.000 2.712 84 G HA2 -0.147 3.813 3.960 0.001 0.000 0.212 84 G HA3 -0.147 3.813 3.960 0.001 0.000 0.212 84 G C 0.277 175.287 174.900 0.182 0.000 1.142 84 G CA -0.203 44.941 45.100 0.073 0.000 0.789 84 G HN 0.261 nan 8.290 nan 0.000 0.535 85 N N -0.148 118.622 118.700 0.117 0.000 2.478 85 N HA 0.298 5.039 4.740 0.001 0.000 0.275 85 N C -0.160 175.393 175.510 0.072 0.000 1.221 85 N CA -0.357 52.750 53.050 0.095 0.000 0.979 85 N CB 1.228 39.751 38.487 0.060 0.000 1.202 85 N HN -0.098 nan 8.380 nan 0.000 0.564 86 T N 0.657 115.248 114.554 0.062 0.000 2.869 86 T HA 0.294 4.645 4.350 0.001 0.000 0.295 86 T C -1.646 173.097 174.700 0.072 0.000 0.987 86 T CA -1.557 60.581 62.100 0.064 0.000 1.109 86 T CB 0.618 69.534 68.868 0.080 0.000 0.932 86 T HN 0.404 nan 8.240 nan 0.000 0.518 87 P HA -0.024 nan 4.420 nan 0.000 0.233 87 P C 1.431 178.777 177.300 0.078 0.000 1.167 87 P CA 0.776 63.909 63.100 0.056 0.000 0.770 87 P CB -0.264 31.457 31.700 0.035 0.000 0.837 88 T N -3.992 110.615 114.554 0.088 0.000 2.915 88 T HA -0.105 4.246 4.350 0.001 0.000 0.269 88 T C 1.141 175.998 174.700 0.262 0.000 1.071 88 T CA 0.584 62.782 62.100 0.162 0.000 1.132 88 T CB -1.145 67.799 68.868 0.125 0.000 0.878 88 T HN -0.032 nan 8.240 nan 0.000 0.479 89 N N 0.769 119.571 118.700 0.171 0.000 2.735 89 N HA -0.192 4.548 4.740 0.001 0.000 0.248 89 N C 0.939 176.514 175.510 0.108 0.000 1.083 89 N CA 0.757 53.894 53.050 0.146 0.000 0.703 89 N CB -1.413 37.140 38.487 0.110 0.000 1.005 89 N HN 0.753 nan 8.380 nan 0.000 0.550 90 A N -0.577 122.306 122.820 0.104 0.000 1.972 90 A HA -0.148 4.172 4.320 0.001 0.000 0.219 90 A C 1.707 179.234 177.584 -0.096 0.000 1.169 90 A CA 1.732 53.746 52.037 -0.038 0.000 0.635 90 A CB -0.490 18.495 19.000 -0.025 0.000 0.810 90 A HN 0.613 nan 8.150 nan 0.000 0.446 91 H N -0.170 118.906 119.070 0.010 0.000 2.457 91 H HA -0.052 4.504 4.556 0.001 0.000 0.297 91 H C 2.392 177.755 175.328 0.059 0.000 1.092 91 H CA 1.461 57.526 56.048 0.029 0.000 1.309 91 H CB -0.162 29.601 29.762 0.002 0.000 1.382 91 H HN 0.452 nan 8.280 nan 0.000 0.535 92 S N -0.054 115.722 115.700 0.128 0.000 2.382 92 S HA -0.107 4.363 4.470 0.001 0.000 0.228 92 S C 2.157 176.776 174.600 0.033 0.000 1.027 92 S CA 1.062 59.304 58.200 0.070 0.000 0.991 92 S CB -0.150 63.075 63.200 0.041 0.000 0.823 92 S HN 0.318 nan 8.310 nan 0.000 0.469 93 I N 0.013 120.575 120.570 -0.014 0.000 2.142 93 I HA -0.226 3.945 4.170 0.001 0.000 0.240 93 I C 2.234 178.359 176.117 0.014 0.000 1.078 93 I CA 1.535 62.815 61.300 -0.034 0.000 1.343 93 I CB -0.443 37.488 38.000 -0.114 0.000 1.046 93 I HN 0.259 nan 8.210 nan 0.000 0.405 94 Y N 1.904 122.163 120.300 -0.068 0.000 2.114 94 Y HA -0.377 4.174 4.550 0.001 0.000 0.282 94 Y C 2.702 178.580 175.900 -0.037 0.000 1.165 94 Y CA 2.234 60.301 58.100 -0.053 0.000 1.148 94 Y CB -0.234 38.199 38.460 -0.045 0.000 0.972 94 Y HN 0.013 nan 8.280 nan 0.000 0.504 95 K N -0.168 120.321 120.400 0.148 0.000 2.063 95 K HA -0.217 4.103 4.320 0.001 0.000 0.208 95 K C 1.765 178.329 176.600 -0.062 0.000 1.048 95 K CA 1.950 58.273 56.287 0.060 0.000 0.928 95 K CB -0.091 32.461 32.500 0.087 0.000 0.713 95 K HN 0.317 nan 8.250 nan 0.000 0.442 96 E N 0.371 120.533 120.200 -0.063 0.000 2.230 96 E HA -0.104 4.246 4.350 0.001 0.000 0.192 96 E C 1.889 178.396 176.600 -0.154 0.000 0.987 96 E CA 0.505 56.848 56.400 -0.095 0.000 0.841 96 E CB -0.011 29.657 29.700 -0.053 0.000 0.783 96 E HN 0.272 nan 8.360 nan 0.000 0.481 97 L N 1.106 122.229 121.223 -0.166 0.000 2.168 97 L HA 0.052 4.393 4.340 0.001 0.000 0.203 97 L C 2.133 178.819 176.870 -0.307 0.000 1.078 97 L CA 1.430 56.160 54.840 -0.183 0.000 0.780 97 L CB -0.282 41.725 42.059 -0.087 0.000 0.939 97 L HN -0.169 nan 8.230 nan 0.000 0.451 98 K N 0.549 120.678 120.400 -0.451 0.000 2.089 98 K HA -0.126 4.194 4.320 0.001 0.000 0.210 98 K C -0.610 175.783 176.600 -0.345 0.000 1.048 98 K CA 2.158 58.128 56.287 -0.529 0.000 0.926 98 K CB -1.533 30.465 32.500 -0.837 0.000 0.714 98 K HN 0.296 nan 8.250 nan 0.000 0.448 99 P HA -0.021 nan 4.420 nan 0.000 0.226 99 P C -0.240 176.899 177.300 -0.268 0.000 1.153 99 P CA 0.629 63.593 63.100 -0.226 0.000 0.777 99 P CB 0.018 31.608 31.700 -0.184 0.000 0.794 100 I N 0.995 121.357 120.570 -0.347 0.000 2.598 100 I HA -0.023 4.147 4.170 0.001 0.000 0.284 100 I C 0.535 176.325 176.117 -0.546 0.000 1.140 100 I CA 0.285 61.316 61.300 -0.449 0.000 1.420 100 I CB 0.002 37.690 38.000 -0.520 0.000 1.387 100 I HN -0.033 nan 8.210 nan 0.000 0.553 101 N N 5.992 124.418 118.700 -0.457 0.000 2.417 101 N HA 0.405 5.145 4.740 0.001 0.000 0.300 101 N C -1.101 174.117 175.510 -0.487 0.000 1.102 101 N CA -0.551 52.231 53.050 -0.447 0.000 0.886 101 N CB 1.493 39.870 38.487 -0.183 0.000 1.203 101 N HN 0.256 nan 8.380 nan 0.000 0.496 102 Y N 0.133 120.452 120.300 0.031 0.000 2.342 102 Y HA 0.403 4.954 4.550 0.001 0.000 0.334 102 Y C -1.679 174.244 175.900 0.039 0.000 1.067 102 Y CA -2.178 55.948 58.100 0.043 0.000 1.128 102 Y CB 0.154 38.651 38.460 0.062 0.000 1.200 102 Y HN 0.339 nan 8.280 nan 0.000 0.464 103 P HA -0.097 nan 4.420 nan 0.000 0.266 103 P C 1.038 178.408 177.300 0.116 0.000 1.186 103 P CA 0.127 63.298 63.100 0.118 0.000 0.767 103 P CB 0.832 32.593 31.700 0.100 0.000 0.820 104 E N 2.829 123.082 120.200 0.088 0.000 2.147 104 E HA -0.292 4.059 4.350 0.001 0.000 0.199 104 E C 0.578 177.218 176.600 0.066 0.000 1.005 104 E CA 2.124 58.568 56.400 0.073 0.000 0.810 104 E CB -0.203 29.531 29.700 0.057 0.000 0.736 104 E HN 0.554 nan 8.360 nan 0.000 0.460 105 D N -0.231 120.205 120.400 0.061 0.000 2.340 105 D HA 0.003 4.643 4.640 0.001 0.000 0.217 105 D C -0.035 176.288 176.300 0.039 0.000 1.081 105 D CA -0.131 53.897 54.000 0.045 0.000 0.842 105 D CB -0.607 40.217 40.800 0.041 0.000 0.934 105 D HN -0.146 nan 8.370 nan 0.000 0.511 106 T N 1.292 115.878 114.554 0.053 0.000 2.908 106 T HA 0.029 4.379 4.350 0.001 0.000 0.301 106 T C 1.186 175.886 174.700 0.000 0.000 1.019 106 T CA 0.012 62.130 62.100 0.030 0.000 1.152 106 T CB 1.533 70.433 68.868 0.053 0.000 0.966 106 T HN 0.007 nan 8.240 nan 0.000 0.540 107 K N 2.020 122.406 120.400 -0.023 0.000 2.329 107 K HA 0.174 4.495 4.320 0.001 0.000 0.198 107 K C 0.305 176.863 176.600 -0.069 0.000 1.085 107 K CA 0.528 56.793 56.287 -0.036 0.000 0.961 107 K CB 0.358 32.840 32.500 -0.031 0.000 0.971 107 K HN 0.491 nan 8.250 nan 0.000 0.502 108 N N 0.719 119.369 118.700 -0.083 0.000 2.240 108 N HA 0.286 5.027 4.740 0.001 0.000 0.302 108 N C -1.090 174.329 175.510 -0.152 0.000 1.106 108 N CA -0.503 52.478 53.050 -0.113 0.000 0.778 108 N CB 2.955 41.383 38.487 -0.098 0.000 1.431 108 N HN -0.309 nan 8.380 nan 0.000 0.479 109 V N 1.070 120.873 119.914 -0.184 0.000 2.407 109 V HA 0.253 4.373 4.120 0.001 0.000 0.291 109 V C -0.487 175.559 176.094 -0.081 0.000 1.018 109 V CA -0.658 61.502 62.300 -0.234 0.000 0.842 109 V CB 1.351 32.955 31.823 -0.364 0.000 0.996 109 V HN 0.668 nan 8.190 nan 0.000 0.426 110 H N 4.742 123.683 119.070 -0.215 0.000 2.511 110 H HA 0.580 5.136 4.556 0.001 0.000 0.328 110 H C -1.548 173.669 175.328 -0.185 0.000 1.044 110 H CA -0.762 55.224 56.048 -0.103 0.000 1.212 110 H CB 1.013 30.743 29.762 -0.053 0.000 1.428 110 H HN 0.533 nan 8.280 nan 0.000 0.483 111 F N 4.408 124.430 119.950 0.120 0.000 2.444 111 F HA 0.254 4.781 4.527 0.001 0.000 0.342 111 F C -0.344 175.378 175.800 -0.129 0.000 1.121 111 F CA -0.815 57.193 58.000 0.012 0.000 0.997 111 F CB 1.693 40.737 39.000 0.073 0.000 1.130 111 F HN 0.235 nan 8.300 nan 0.000 0.454 112 V N 5.505 125.389 119.914 -0.049 0.000 2.311 112 V HA 0.272 4.393 4.120 0.001 0.000 0.275 112 V C -0.619 175.344 176.094 -0.220 0.000 1.022 112 V CA -0.607 61.557 62.300 -0.227 0.000 0.830 112 V CB 1.195 32.843 31.823 -0.291 0.000 1.012 112 V HN 0.479 nan 8.190 nan 0.000 0.452 113 L N 6.566 127.664 121.223 -0.208 0.000 2.262 113 L HA 0.614 4.955 4.340 0.001 0.000 0.288 113 L C -0.840 175.914 176.870 -0.195 0.000 1.035 113 L CA 0.115 54.907 54.840 -0.080 0.000 0.820 113 L CB 0.581 42.663 42.059 0.039 0.000 1.204 113 L HN 0.412 nan 8.230 nan 0.000 0.424 114 F N 5.332 125.321 119.950 0.065 0.000 2.375 114 F HA 0.698 5.226 4.527 0.001 0.000 0.362 114 F C 0.622 176.468 175.800 0.077 0.000 1.129 114 F CA -0.096 57.922 58.000 0.030 0.000 1.154 114 F CB 0.948 39.942 39.000 -0.010 0.000 1.205 114 F HN 0.656 nan 8.300 nan 0.000 0.513 115 A N 3.027 125.968 122.820 0.201 0.000 2.488 115 A HA 0.577 4.897 4.320 0.001 0.000 0.298 115 A C -0.556 177.075 177.584 0.079 0.000 1.044 115 A CA -0.956 51.153 52.037 0.119 0.000 0.693 115 A CB 1.122 20.149 19.000 0.044 0.000 1.272 115 A HN 0.477 nan 8.150 nan 0.000 0.402 116 E N 0.817 121.048 120.200 0.053 0.000 2.408 116 E HA 0.014 4.365 4.350 0.001 0.000 0.259 116 E C 0.203 176.853 176.600 0.084 0.000 1.110 116 E CA -0.189 56.249 56.400 0.062 0.000 0.929 116 E CB 0.450 30.179 29.700 0.047 0.000 0.971 116 E HN 0.686 nan 8.360 nan 0.000 0.438 117 Y N 2.717 122.992 120.300 -0.042 0.000 2.151 117 Y HA -0.151 4.399 4.550 0.001 0.000 0.284 117 Y C -0.737 175.120 175.900 -0.071 0.000 1.166 117 Y CA 1.553 59.624 58.100 -0.050 0.000 1.163 117 Y CB -1.440 36.998 38.460 -0.036 0.000 0.974 117 Y HN 0.455 nan 8.280 nan 0.000 0.511 118 P HA -0.050 nan 4.420 nan 0.000 0.226 118 P C 0.857 178.063 177.300 -0.155 0.000 1.153 118 P CA 1.648 64.675 63.100 -0.122 0.000 0.777 118 P CB 0.136 31.798 31.700 -0.063 0.000 0.794 119 D N -1.553 118.733 120.400 -0.191 0.000 2.327 119 D HA -0.018 4.623 4.640 0.001 0.000 0.205 119 D C 1.972 178.001 176.300 -0.451 0.000 0.989 119 D CA 0.399 54.153 54.000 -0.410 0.000 0.873 119 D CB -0.410 40.007 40.800 -0.638 0.000 0.955 119 D HN -0.065 nan 8.370 nan 0.000 0.515 120 V N 1.426 121.206 119.914 -0.223 0.000 2.287 120 V HA -0.235 3.886 4.120 0.001 0.000 0.248 120 V C 2.546 178.607 176.094 -0.056 0.000 1.053 120 V CA 1.336 63.575 62.300 -0.101 0.000 1.027 120 V CB -0.487 31.345 31.823 0.015 0.000 0.646 120 V HN 0.202 nan 8.190 nan 0.000 0.447 121 L N 0.598 121.779 121.223 -0.070 0.000 2.017 121 L HA -0.191 4.150 4.340 0.001 0.000 0.208 121 L C 2.731 179.591 176.870 -0.017 0.000 1.073 121 L CA 2.283 57.111 54.840 -0.021 0.000 0.745 121 L CB -0.386 41.663 42.059 -0.016 0.000 0.894 121 L HN 0.568 nan 8.230 nan 0.000 0.432 122 S N -1.852 113.832 115.700 -0.027 0.000 2.383 122 S HA -0.244 4.227 4.470 0.001 0.000 0.227 122 S C 1.838 176.498 174.600 0.099 0.000 1.026 122 S CA 1.229 59.432 58.200 0.006 0.000 0.981 122 S CB -1.034 62.175 63.200 0.015 0.000 0.818 122 S HN 0.630 nan 8.310 nan 0.000 0.472 123 H N 0.412 119.454 119.070 -0.047 0.000 2.326 123 H HA 0.023 4.579 4.556 0.001 0.000 0.301 123 H C 2.299 177.595 175.328 -0.053 0.000 1.081 123 H CA 1.317 57.346 56.048 -0.033 0.000 1.334 123 H CB -0.120 29.642 29.762 -0.001 0.000 1.385 123 H HN 0.264 nan 8.280 nan 0.000 0.504 124 V N 1.198 121.158 119.914 0.076 0.000 2.295 124 V HA -0.285 3.836 4.120 0.001 0.000 0.246 124 V C 2.766 178.835 176.094 -0.041 0.000 1.049 124 V CA 1.619 63.910 62.300 -0.014 0.000 1.024 124 V CB -0.872 30.935 31.823 -0.026 0.000 0.648 124 V HN 0.506 nan 8.190 nan 0.000 0.447 125 A N 0.004 122.803 122.820 -0.035 0.000 1.908 125 A HA -0.185 4.135 4.320 0.001 0.000 0.218 125 A C 2.433 180.001 177.584 -0.026 0.000 1.181 125 A CA 2.309 54.317 52.037 -0.048 0.000 0.627 125 A CB -0.862 18.096 19.000 -0.070 0.000 0.818 125 A HN 0.599 nan 8.150 nan 0.000 0.445 126 A N -0.240 122.565 122.820 -0.025 0.000 1.933 126 A HA -0.085 4.235 4.320 0.001 0.000 0.218 126 A C 2.123 179.736 177.584 0.049 0.000 1.175 126 A CA 1.567 53.613 52.037 0.015 0.000 0.628 126 A CB -0.597 18.389 19.000 -0.023 0.000 0.814 126 A HN 0.519 nan 8.150 nan 0.000 0.444 127 I N -0.320 120.224 120.570 -0.043 0.000 2.202 127 I HA -0.254 3.917 4.170 0.001 0.000 0.242 127 I C 2.991 179.117 176.117 0.016 0.000 1.091 127 I CA 0.992 62.215 61.300 -0.129 0.000 1.368 127 I CB -0.395 37.367 38.000 -0.397 0.000 1.058 127 I HN 0.341 nan 8.210 nan 0.000 0.410 128 A N 1.043 123.885 122.820 0.037 0.000 1.917 128 A HA -0.253 4.068 4.320 0.001 0.000 0.219 128 A C 2.361 180.050 177.584 0.175 0.000 1.182 128 A CA 1.746 53.857 52.037 0.124 0.000 0.633 128 A CB -0.715 18.301 19.000 0.026 0.000 0.819 128 A HN 0.346 nan 8.150 nan 0.000 0.448 129 R N -0.622 119.958 120.500 0.134 0.000 2.170 129 R HA -0.124 4.216 4.340 0.001 0.000 0.242 129 R C 2.129 178.545 176.300 0.193 0.000 1.145 129 R CA 1.750 57.960 56.100 0.184 0.000 0.984 129 R CB -0.712 29.737 30.300 0.248 0.000 0.869 129 R HN 0.781 nan 8.270 nan 0.000 0.455 130 T N -2.490 112.097 114.554 0.055 0.000 3.113 130 T HA 0.028 4.379 4.350 0.001 0.000 0.256 130 T C 0.428 174.923 174.700 -0.340 0.000 1.131 130 T CA 0.153 62.133 62.100 -0.201 0.000 1.074 130 T CB 0.004 68.631 68.868 -0.402 0.000 0.944 130 T HN -0.049 nan 8.240 nan 0.000 0.516 131 F N 2.327 122.328 119.950 0.086 0.000 2.425 131 F HA 0.403 4.931 4.527 0.001 0.000 0.354 131 F C 0.366 176.218 175.800 0.087 0.000 1.162 131 F CA -1.672 56.385 58.000 0.095 0.000 1.250 131 F CB -0.409 38.638 39.000 0.079 0.000 1.579 131 F HN 0.129 nan 8.300 nan 0.000 0.589 132 C N 3.216 122.612 119.300 0.159 0.000 2.624 132 C HA 0.066 4.527 4.460 0.001 0.000 0.397 132 C C 2.029 177.117 174.990 0.164 0.000 1.331 132 C CA -0.754 58.354 59.018 0.150 0.000 1.716 132 C CB -0.110 27.700 27.740 0.117 0.000 2.452 132 C HN 0.815 nan 8.230 nan 0.000 0.586 133 K N 1.740 122.243 120.400 0.171 0.000 2.097 133 K HA -0.094 4.227 4.320 0.001 0.000 0.205 133 K C 0.526 177.214 176.600 0.147 0.000 1.050 133 K CA 1.194 57.573 56.287 0.153 0.000 0.938 133 K CB 0.052 32.643 32.500 0.152 0.000 0.718 133 K HN 0.658 nan 8.250 nan 0.000 0.442 134 F N 1.218 121.204 119.950 0.060 0.000 2.420 134 F HA 0.194 4.722 4.527 0.001 0.000 0.352 134 F C -0.252 175.576 175.800 0.047 0.000 1.108 134 F CA -0.093 57.937 58.000 0.049 0.000 1.162 134 F CB 1.216 40.243 39.000 0.046 0.000 1.118 134 F HN -0.273 nan 8.300 nan 0.000 0.510 135 S N 6.275 121.518 115.700 -0.761 0.000 2.543 135 S HA 0.450 4.920 4.470 0.001 0.000 0.273 135 S C -0.364 173.869 174.600 -0.611 0.000 1.152 135 S CA -0.727 57.172 58.200 -0.501 0.000 0.910 135 S CB 1.209 64.299 63.200 -0.183 0.000 1.105 135 S HN 0.795 nan 8.310 nan 0.000 0.465 136 M N 2.976 122.353 119.600 -0.372 0.000 2.589 136 M HA 0.274 4.754 4.480 0.001 0.000 0.344 136 M C -0.063 176.181 176.300 -0.094 0.000 1.168 136 M CA -0.191 54.982 55.300 -0.212 0.000 0.956 136 M CB 0.321 32.861 32.600 -0.100 0.000 1.370 136 M HN 0.411 nan 8.290 nan 0.000 0.518 137 K N 0.960 121.309 120.400 -0.085 0.000 2.382 137 K HA 0.063 4.384 4.320 0.001 0.000 0.275 137 K C 1.197 177.774 176.600 -0.039 0.000 1.009 137 K CA 0.369 56.631 56.287 -0.042 0.000 0.970 137 K CB 0.789 33.272 32.500 -0.030 0.000 0.934 137 K HN 0.207 nan 8.250 nan 0.000 0.479 138 T N -2.429 112.112 114.554 -0.021 0.000 3.069 138 T HA 0.060 4.410 4.350 0.001 0.000 0.252 138 T C 0.388 175.082 174.700 -0.010 0.000 1.053 138 T CA -0.379 61.711 62.100 -0.017 0.000 0.964 138 T CB -0.016 68.846 68.868 -0.010 0.000 1.005 138 T HN 0.467 nan 8.240 nan 0.000 0.532 139 S N -1.110 114.585 115.700 -0.008 0.000 2.618 139 S HA 0.661 5.132 4.470 0.001 0.000 0.277 139 S C 0.815 175.416 174.600 0.000 0.000 1.138 139 S CA -0.171 58.028 58.200 -0.002 0.000 0.844 139 S CB 1.273 64.475 63.200 0.003 0.000 1.127 139 S HN 1.114 nan 8.310 nan 0.000 0.474 140 G N 0.290 109.094 108.800 0.007 0.000 2.179 140 G HA2 -0.192 3.769 3.960 0.001 0.000 0.260 140 G HA3 -0.192 3.769 3.960 0.001 0.000 0.260 140 G C 0.010 174.921 174.900 0.017 0.000 0.977 140 G CA 0.111 45.219 45.100 0.015 0.000 0.641 140 G HN 0.827 nan 8.290 nan 0.000 0.533 141 I N 1.459 122.033 120.570 0.007 0.000 2.517 141 I HA 0.329 4.500 4.170 0.001 0.000 0.285 141 I C 0.484 176.613 176.117 0.020 0.000 1.106 141 I CA 0.178 61.482 61.300 0.007 0.000 1.402 141 I CB 0.580 38.572 38.000 -0.014 0.000 1.399 141 I HN 0.041 nan 8.210 nan 0.000 0.535 142 R N 5.279 125.801 120.500 0.038 0.000 2.561 142 R HA 0.417 4.758 4.340 0.001 0.000 0.297 142 R C -0.472 175.857 176.300 0.048 0.000 0.969 142 R CA -0.880 55.246 56.100 0.044 0.000 0.879 142 R CB 2.085 32.424 30.300 0.065 0.000 1.178 142 R HN 0.429 nan 8.270 nan 0.000 0.445 143 E N 3.550 123.766 120.200 0.027 0.000 2.197 143 E HA 0.413 4.763 4.350 0.001 0.000 0.281 143 E C -0.041 176.561 176.600 0.002 0.000 0.995 143 E CA -0.562 55.849 56.400 0.019 0.000 0.808 143 E CB 1.734 31.436 29.700 0.004 0.000 1.093 143 E HN 0.360 nan 8.360 nan 0.000 0.394 144 L N 2.189 123.405 121.223 -0.011 0.000 2.330 144 L HA 0.420 4.761 4.340 0.001 0.000 0.271 144 L C 0.168 176.975 176.870 -0.105 0.000 1.013 144 L CA -1.073 53.732 54.840 -0.059 0.000 0.816 144 L CB 1.233 43.247 42.059 -0.074 0.000 1.287 144 L HN 0.204 nan 8.230 nan 0.000 0.435 145 N N 1.474 120.104 118.700 -0.118 0.000 2.439 145 N HA 0.298 5.039 4.740 0.001 0.000 0.249 145 N C -0.933 174.475 175.510 -0.171 0.000 1.003 145 N CA -0.204 52.767 53.050 -0.131 0.000 0.942 145 N CB 1.905 40.331 38.487 -0.100 0.000 1.115 145 N HN 0.166 nan 8.380 nan 0.000 0.505 146 V N 3.076 122.856 119.914 -0.223 0.000 2.394 146 V HA 0.312 4.432 4.120 0.001 0.000 0.282 146 V C 0.143 176.172 176.094 -0.110 0.000 1.031 146 V CA -0.760 61.402 62.300 -0.231 0.000 0.881 146 V CB 1.070 32.562 31.823 -0.552 0.000 0.982 146 V HN 0.493 nan 8.190 nan 0.000 0.451 147 N N 5.117 123.816 118.700 -0.001 0.000 2.443 147 N HA 0.497 5.237 4.740 0.001 0.000 0.269 147 N C -0.825 174.814 175.510 0.216 0.000 0.985 147 N CA -0.340 52.740 53.050 0.050 0.000 0.921 147 N CB 2.416 40.887 38.487 -0.027 0.000 1.195 147 N HN 0.547 nan 8.380 nan 0.000 0.492 148 I N 1.924 122.570 120.570 0.127 0.000 2.287 148 I HA 0.122 4.292 4.170 0.001 0.000 0.290 148 I C -0.324 175.852 176.117 0.099 0.000 1.069 148 I CA -0.468 60.913 61.300 0.135 0.000 1.237 148 I CB 0.421 38.413 38.000 -0.014 0.000 1.418 148 I HN 0.123 nan 8.210 nan 0.000 0.481 149 D N 6.457 126.935 120.400 0.131 0.000 2.396 149 D HA 0.226 4.866 4.640 0.001 0.000 0.225 149 D C -0.197 176.085 176.300 -0.030 0.000 1.121 149 D CA -0.087 53.952 54.000 0.065 0.000 0.853 149 D CB 1.664 42.540 40.800 0.127 0.000 1.043 149 D HN 0.069 nan 8.370 nan 0.000 0.500 150 V N 2.844 122.745 119.914 -0.022 0.000 2.461 150 V HA 0.172 4.292 4.120 0.001 0.000 0.275 150 V C 0.482 176.535 176.094 -0.068 0.000 1.047 150 V CA -0.677 61.598 62.300 -0.041 0.000 0.955 150 V CB 1.584 33.413 31.823 0.010 0.000 0.988 150 V HN 0.212 nan 8.190 nan 0.000 0.471 151 V N 4.876 124.713 119.914 -0.128 0.000 2.304 151 V HA 0.395 4.516 4.120 0.001 0.000 0.269 151 V C -0.097 176.014 176.094 0.028 0.000 1.036 151 V CA -0.219 62.037 62.300 -0.073 0.000 0.840 151 V CB 0.802 32.531 31.823 -0.157 0.000 1.036 151 V HN 1.018 nan 8.190 nan 0.000 0.466 152 C N 4.218 123.528 119.300 0.018 0.000 2.832 152 C HA 0.376 4.836 4.460 0.001 0.000 0.383 152 C C 1.168 176.132 174.990 -0.043 0.000 1.046 152 C CA -0.547 58.480 59.018 0.015 0.000 1.242 152 C CB 1.388 29.156 27.740 0.047 0.000 1.693 152 C HN 0.897 nan 8.230 nan 0.000 0.497 153 D N 1.861 122.225 120.400 -0.060 0.000 2.123 153 D HA -0.110 4.530 4.640 0.001 0.000 0.196 153 D C 1.680 177.873 176.300 -0.179 0.000 0.992 153 D CA 1.530 55.475 54.000 -0.091 0.000 0.833 153 D CB 0.238 40.994 40.800 -0.072 0.000 0.954 153 D HN 0.703 nan 8.370 nan 0.000 0.455 154 K N -0.186 120.018 120.400 -0.326 0.000 2.366 154 K HA -0.002 4.319 4.320 0.001 0.000 0.198 154 K C 0.679 176.881 176.600 -0.662 0.000 1.044 154 K CA -0.323 55.603 56.287 -0.601 0.000 0.973 154 K CB 0.126 32.005 32.500 -1.035 0.000 0.767 154 K HN 0.044 nan 8.250 nan 0.000 0.475 155 L N 2.259 123.252 121.223 -0.383 0.000 2.453 155 L HA -0.023 4.317 4.340 0.001 0.000 0.272 155 L C 0.416 177.258 176.870 -0.047 0.000 1.182 155 L CA 0.613 55.400 54.840 -0.089 0.000 0.858 155 L CB 0.664 42.751 42.059 0.046 0.000 1.120 155 L HN 0.112 nan 8.230 nan 0.000 0.474 156 T N 0.402 114.973 114.554 0.028 0.000 2.936 156 T HA 0.356 4.707 4.350 0.001 0.000 0.282 156 T C 1.004 175.731 174.700 0.045 0.000 1.003 156 T CA -0.742 61.373 62.100 0.024 0.000 1.005 156 T CB 0.904 69.793 68.868 0.034 0.000 1.097 156 T HN 0.571 nan 8.240 nan 0.000 0.532 157 N N 0.517 119.238 118.700 0.035 0.000 2.166 157 N HA -0.104 4.637 4.740 0.001 0.000 0.186 157 N C 1.667 177.216 175.510 0.065 0.000 1.019 157 N CA 1.386 54.461 53.050 0.042 0.000 0.856 157 N CB -0.460 38.045 38.487 0.030 0.000 0.993 157 N HN 0.897 nan 8.380 nan 0.000 0.426 158 E N 0.779 121.023 120.200 0.072 0.000 2.085 158 E HA -0.192 4.159 4.350 0.001 0.000 0.194 158 E C 0.762 177.437 176.600 0.124 0.000 0.994 158 E CA 1.211 57.672 56.400 0.103 0.000 0.801 158 E CB 0.062 29.816 29.700 0.090 0.000 0.743 158 E HN 0.209 nan 8.360 nan 0.000 0.453 159 D N 0.237 120.703 120.400 0.109 0.000 2.133 159 D HA -0.187 4.453 4.640 0.001 0.000 0.195 159 D C 1.806 178.195 176.300 0.149 0.000 0.997 159 D CA 1.467 55.550 54.000 0.138 0.000 0.840 159 D CB -0.326 40.572 40.800 0.163 0.000 0.947 159 D HN 0.342 nan 8.370 nan 0.000 0.452 160 A N 0.508 123.389 122.820 0.102 0.000 1.969 160 A HA -0.096 4.225 4.320 0.001 0.000 0.218 160 A C 2.538 180.155 177.584 0.055 0.000 1.169 160 A CA 0.938 53.014 52.037 0.066 0.000 0.635 160 A CB -0.548 18.480 19.000 0.046 0.000 0.810 160 A HN 0.142 nan 8.150 nan 0.000 0.445 161 V N -0.962 119.010 119.914 0.096 0.000 2.261 161 V HA -0.256 3.865 4.120 0.001 0.000 0.246 161 V C 2.285 178.456 176.094 0.129 0.000 1.047 161 V CA 2.171 64.548 62.300 0.127 0.000 1.015 161 V CB -1.068 30.877 31.823 0.203 0.000 0.642 161 V HN 0.662 nan 8.190 nan 0.000 0.446 162 F N 0.618 120.546 119.950 -0.036 0.000 2.126 162 F HA -0.205 4.323 4.527 0.001 0.000 0.299 162 F C 2.012 177.733 175.800 -0.132 0.000 1.096 162 F CA 1.743 59.559 58.000 -0.306 0.000 1.255 162 F CB -0.373 38.314 39.000 -0.522 0.000 0.997 162 F HN 0.037 nan 8.300 nan 0.000 0.479 163 L N -0.468 120.584 121.223 -0.286 0.000 2.141 163 L HA -0.197 4.144 4.340 0.001 0.000 0.209 163 L C 2.326 179.025 176.870 -0.284 0.000 1.094 163 L CA 1.617 56.259 54.840 -0.330 0.000 0.763 163 L CB -1.074 40.942 42.059 -0.071 0.000 0.908 163 L HN 0.157 nan 8.230 nan 0.000 0.437 164 T N -1.076 113.373 114.554 -0.175 0.000 2.777 164 T HA -0.166 4.185 4.350 0.001 0.000 0.266 164 T C 1.438 176.047 174.700 -0.152 0.000 1.040 164 T CA 1.397 63.422 62.100 -0.125 0.000 1.141 164 T CB -0.195 68.638 68.868 -0.058 0.000 0.868 164 T HN 0.302 nan 8.240 nan 0.000 0.444 165 D N 0.892 121.185 120.400 -0.178 0.000 2.144 165 D HA -0.024 4.616 4.640 0.001 0.000 0.200 165 D C 2.048 178.190 176.300 -0.263 0.000 0.978 165 D CA 0.522 54.432 54.000 -0.149 0.000 0.833 165 D CB -0.401 40.403 40.800 0.006 0.000 0.961 165 D HN 0.184 nan 8.370 nan 0.000 0.470 166 L N 0.945 121.848 121.223 -0.533 0.000 2.017 166 L HA -0.135 4.206 4.340 0.001 0.000 0.208 166 L C 2.180 178.910 176.870 -0.234 0.000 1.073 166 L CA 1.573 56.133 54.840 -0.468 0.000 0.745 166 L CB -0.638 40.992 42.059 -0.714 0.000 0.894 166 L HN -0.155 nan 8.230 nan 0.000 0.432 167 S N -0.498 115.080 115.700 -0.204 0.000 2.370 167 S HA -0.255 4.215 4.470 0.001 0.000 0.226 167 S C 1.840 176.400 174.600 -0.067 0.000 1.033 167 S CA 1.479 59.613 58.200 -0.109 0.000 1.011 167 S CB -0.397 62.743 63.200 -0.099 0.000 0.852 167 S HN 0.602 nan 8.310 nan 0.000 0.457 168 E N 1.627 121.782 120.200 -0.076 0.000 2.051 168 E HA -0.084 4.266 4.350 0.001 0.000 0.192 168 E C 2.113 178.697 176.600 -0.027 0.000 0.991 168 E CA 1.620 57.996 56.400 -0.040 0.000 0.799 168 E CB -0.527 29.149 29.700 -0.040 0.000 0.748 168 E HN 0.311 nan 8.360 nan 0.000 0.449 169 S N -0.715 114.956 115.700 -0.049 0.000 2.359 169 S HA -0.146 4.324 4.470 0.001 0.000 0.224 169 S C 1.979 176.573 174.600 -0.010 0.000 1.035 169 S CA 1.192 59.376 58.200 -0.026 0.000 1.018 169 S CB -0.379 62.798 63.200 -0.038 0.000 0.876 169 S HN 0.186 nan 8.310 nan 0.000 0.448 170 V N 1.901 121.801 119.914 -0.023 0.000 2.255 170 V HA -0.218 3.903 4.120 0.001 0.000 0.247 170 V C 2.421 178.533 176.094 0.029 0.000 1.051 170 V CA 1.831 64.130 62.300 -0.002 0.000 1.018 170 V CB -0.597 31.215 31.823 -0.018 0.000 0.641 170 V HN 0.397 nan 8.190 nan 0.000 0.445 171 R N -0.508 120.013 120.500 0.036 0.000 2.120 171 R HA -0.122 4.219 4.340 0.001 0.000 0.234 171 R C 2.318 178.656 176.300 0.064 0.000 1.123 171 R CA 1.123 57.263 56.100 0.067 0.000 0.975 171 R CB -0.250 30.096 30.300 0.076 0.000 0.866 171 R HN 0.532 nan 8.270 nan 0.000 0.446 172 E N 0.064 120.290 120.200 0.043 0.000 2.047 172 E HA -0.107 4.243 4.350 0.001 0.000 0.191 172 E C 2.022 178.645 176.600 0.038 0.000 0.987 172 E CA 1.427 57.851 56.400 0.041 0.000 0.799 172 E CB -0.223 29.493 29.700 0.027 0.000 0.752 172 E HN 0.263 nan 8.360 nan 0.000 0.449 173 T N 1.572 116.147 114.554 0.035 0.000 2.635 173 T HA -0.186 4.165 4.350 0.001 0.000 0.267 173 T C 1.973 176.697 174.700 0.040 0.000 1.040 173 T CA 1.868 63.990 62.100 0.037 0.000 1.156 173 T CB -0.309 68.587 68.868 0.047 0.000 0.863 173 T HN 0.285 nan 8.240 nan 0.000 0.430 174 A N 1.547 124.398 122.820 0.053 0.000 1.902 174 A HA -0.127 4.193 4.320 0.001 0.000 0.217 174 A C 2.294 179.913 177.584 0.059 0.000 1.181 174 A CA 1.937 54.011 52.037 0.062 0.000 0.623 174 A CB -0.635 18.415 19.000 0.084 0.000 0.818 174 A HN 0.473 nan 8.150 nan 0.000 0.443 175 R N -0.200 120.344 120.500 0.072 0.000 2.083 175 R HA -0.103 4.238 4.340 0.001 0.000 0.237 175 R C 1.945 178.237 176.300 -0.012 0.000 1.137 175 R CA 1.760 57.911 56.100 0.086 0.000 0.951 175 R CB -0.463 29.909 30.300 0.120 0.000 0.851 175 R HN 0.505 nan 8.270 nan 0.000 0.434 176 L N 0.441 121.658 121.223 -0.011 0.000 2.046 176 L HA -0.175 4.165 4.340 0.001 0.000 0.208 176 L C 2.508 179.334 176.870 -0.074 0.000 1.077 176 L CA 1.202 56.015 54.840 -0.046 0.000 0.747 176 L CB -0.344 41.706 42.059 -0.016 0.000 0.896 176 L HN 0.263 nan 8.230 nan 0.000 0.432 177 I N -0.155 120.390 120.570 -0.041 0.000 2.226 177 I HA -0.278 3.893 4.170 0.001 0.000 0.245 177 I C 1.901 177.972 176.117 -0.077 0.000 1.100 177 I CA 1.222 62.499 61.300 -0.038 0.000 1.374 177 I CB -0.303 37.696 38.000 -0.001 0.000 1.057 177 I HN 0.256 nan 8.210 nan 0.000 0.413 178 D N 0.145 120.486 120.400 -0.099 0.000 2.277 178 D HA -0.039 4.602 4.640 0.001 0.000 0.208 178 D C 0.773 176.820 176.300 -0.423 0.000 0.962 178 D CA 0.644 54.569 54.000 -0.124 0.000 0.865 178 D CB -0.255 40.562 40.800 0.028 0.000 0.939 178 D HN 0.213 nan 8.370 nan 0.000 0.510 179 T N 3.958 118.113 114.554 -0.666 0.000 2.853 179 T HA 0.142 4.493 4.350 0.001 0.000 0.298 179 T C -2.252 172.194 174.700 -0.423 0.000 0.978 179 T CA -1.057 60.438 62.100 -1.009 0.000 1.152 179 T CB 1.269 69.731 68.868 -0.676 0.000 0.914 179 T HN 0.058 nan 8.240 nan 0.000 0.539 180 P HA 0.166 nan 4.420 nan 0.000 0.269 180 P C 0.330 177.599 177.300 -0.052 0.000 1.215 180 P CA -0.321 62.731 63.100 -0.079 0.000 0.780 180 P CB 0.650 32.348 31.700 -0.002 0.000 0.898 181 A N 2.949 125.770 122.820 0.002 0.000 2.119 181 A HA -0.149 4.171 4.320 0.001 0.000 0.217 181 A C 1.725 179.286 177.584 -0.039 0.000 1.153 181 A CA 1.080 53.122 52.037 0.009 0.000 0.692 181 A CB -1.154 17.907 19.000 0.102 0.000 0.799 181 A HN 0.694 nan 8.150 nan 0.000 0.458 182 N N 0.403 119.069 118.700 -0.058 0.000 2.453 182 N HA -0.075 4.665 4.740 0.001 0.000 0.183 182 N C 1.285 176.786 175.510 -0.015 0.000 1.041 182 N CA 1.442 54.465 53.050 -0.045 0.000 0.900 182 N CB -0.337 38.121 38.487 -0.047 0.000 0.961 182 N HN 0.570 nan 8.380 nan 0.000 0.443 183 I N -0.432 120.134 120.570 -0.007 0.000 2.900 183 I HA 0.062 4.232 4.170 0.001 0.000 0.251 183 I C 0.455 176.569 176.117 -0.006 0.000 1.102 183 I CA -0.153 61.153 61.300 0.010 0.000 1.457 183 I CB 0.061 38.088 38.000 0.046 0.000 1.285 183 I HN -0.033 nan 8.210 nan 0.000 0.459 184 L N 3.127 124.332 121.223 -0.031 0.000 2.384 184 L HA 0.152 4.493 4.340 0.001 0.000 0.258 184 L C 0.732 177.595 176.870 -0.011 0.000 1.266 184 L CA 0.125 54.948 54.840 -0.028 0.000 1.162 184 L CB -0.641 41.385 42.059 -0.055 0.000 1.375 184 L HN 0.243 nan 8.230 nan 0.000 0.420 185 T N -1.715 112.834 114.554 -0.007 0.000 2.732 185 T HA 0.141 4.492 4.350 0.001 0.000 0.287 185 T C 1.603 176.301 174.700 -0.003 0.000 0.993 185 T CA 0.038 62.136 62.100 -0.003 0.000 0.966 185 T CB 0.549 69.412 68.868 -0.008 0.000 1.047 185 T HN 0.591 nan 8.240 nan 0.000 0.527 186 T N -1.236 113.317 114.554 -0.002 0.000 2.720 186 T HA -0.179 4.172 4.350 0.001 0.000 0.268 186 T C 1.362 176.054 174.700 -0.014 0.000 1.037 186 T CA 1.627 63.722 62.100 -0.007 0.000 1.144 186 T CB -0.893 67.970 68.868 -0.009 0.000 0.864 186 T HN 0.599 nan 8.240 nan 0.000 0.444 187 D N 2.168 122.560 120.400 -0.013 0.000 2.104 187 D HA -0.020 4.621 4.640 0.001 0.000 0.194 187 D C 2.522 178.814 176.300 -0.013 0.000 0.994 187 D CA 1.631 55.623 54.000 -0.014 0.000 0.830 187 D CB -0.791 40.003 40.800 -0.010 0.000 0.959 187 D HN 0.603 nan 8.370 nan 0.000 0.452 188 A N 0.501 123.316 122.820 -0.010 0.000 1.933 188 A HA -0.126 4.194 4.320 0.001 0.000 0.218 188 A C 2.131 179.707 177.584 -0.012 0.000 1.175 188 A CA 0.951 52.984 52.037 -0.007 0.000 0.628 188 A CB -0.595 18.403 19.000 -0.003 0.000 0.814 188 A HN 0.237 nan 8.150 nan 0.000 0.444 189 L N -0.194 121.019 121.223 -0.016 0.000 2.109 189 L HA -0.037 4.303 4.340 0.001 0.000 0.207 189 L C 2.345 179.195 176.870 -0.033 0.000 1.086 189 L CA 1.530 56.357 54.840 -0.022 0.000 0.760 189 L CB -0.511 41.536 42.059 -0.020 0.000 0.910 189 L HN 0.141 nan 8.230 nan 0.000 0.437 190 V N 0.050 119.942 119.914 -0.037 0.000 2.287 190 V HA -0.331 3.789 4.120 0.001 0.000 0.248 190 V C 2.305 178.374 176.094 -0.043 0.000 1.053 190 V CA 2.082 64.352 62.300 -0.050 0.000 1.027 190 V CB -0.802 30.993 31.823 -0.048 0.000 0.646 190 V HN 0.437 nan 8.190 nan 0.000 0.447 191 D N -0.388 119.996 120.400 -0.028 0.000 2.123 191 D HA -0.149 4.492 4.640 0.001 0.000 0.196 191 D C 2.287 178.577 176.300 -0.017 0.000 0.992 191 D CA 1.122 55.110 54.000 -0.019 0.000 0.833 191 D CB -0.254 40.540 40.800 -0.010 0.000 0.954 191 D HN 0.484 nan 8.370 nan 0.000 0.455 192 E N 0.616 120.806 120.200 -0.016 0.000 2.085 192 E HA -0.149 4.201 4.350 0.001 0.000 0.194 192 E C 2.090 178.678 176.600 -0.021 0.000 0.994 192 E CA 0.980 57.373 56.400 -0.012 0.000 0.801 192 E CB -0.159 29.535 29.700 -0.009 0.000 0.743 192 E HN 0.232 nan 8.360 nan 0.000 0.453 193 A N 1.119 123.915 122.820 -0.040 0.000 1.898 193 A HA -0.107 4.214 4.320 0.001 0.000 0.216 193 A C 2.601 180.151 177.584 -0.056 0.000 1.181 193 A CA 1.186 53.185 52.037 -0.063 0.000 0.620 193 A CB -0.611 18.330 19.000 -0.098 0.000 0.819 193 A HN 0.119 nan 8.150 nan 0.000 0.442 194 V N 0.152 120.037 119.914 -0.048 0.000 2.407 194 V HA -0.260 3.860 4.120 0.001 0.000 0.248 194 V C 2.434 178.521 176.094 -0.013 0.000 1.055 194 V CA 2.272 64.551 62.300 -0.035 0.000 1.049 194 V CB -0.653 31.150 31.823 -0.033 0.000 0.662 194 V HN 0.532 nan 8.190 nan 0.000 0.455 195 K N -0.302 120.093 120.400 -0.008 0.000 2.032 195 K HA -0.157 4.163 4.320 0.001 0.000 0.209 195 K C 2.083 178.691 176.600 0.014 0.000 1.048 195 K CA 1.545 57.834 56.287 0.004 0.000 0.927 195 K CB -0.415 32.088 32.500 0.005 0.000 0.712 195 K HN 0.328 nan 8.250 nan 0.000 0.441 196 V N 0.766 120.689 119.914 0.016 0.000 2.343 196 V HA -0.208 3.912 4.120 0.001 0.000 0.247 196 V C 2.362 178.498 176.094 0.069 0.000 1.051 196 V CA 2.186 64.512 62.300 0.042 0.000 1.036 196 V CB -1.005 30.847 31.823 0.048 0.000 0.654 196 V HN 0.530 nan 8.190 nan 0.000 0.451 197 G N 0.504 109.328 108.800 0.040 0.000 2.476 197 G HA2 -0.315 3.646 3.960 0.001 0.000 0.218 197 G HA3 -0.315 3.646 3.960 0.001 0.000 0.218 197 G C 1.425 176.360 174.900 0.058 0.000 1.164 197 G CA 1.167 46.298 45.100 0.052 0.000 0.768 197 G HN 0.540 nan 8.290 nan 0.000 0.560 198 N N 1.386 120.106 118.700 0.034 0.000 2.084 198 N HA -0.098 4.643 4.740 0.001 0.000 0.190 198 N C 2.495 178.025 175.510 0.033 0.000 1.030 198 N CA 1.473 54.541 53.050 0.030 0.000 0.849 198 N CB -0.696 37.801 38.487 0.017 0.000 1.012 198 N HN 0.323 nan 8.380 nan 0.000 0.423 199 A N 0.452 123.291 122.820 0.031 0.000 2.019 199 A HA -0.099 4.222 4.320 0.001 0.000 0.219 199 A C 2.134 179.732 177.584 0.024 0.000 1.164 199 A CA 2.009 54.060 52.037 0.023 0.000 0.644 199 A CB -0.794 18.216 19.000 0.017 0.000 0.805 199 A HN 0.525 nan 8.150 nan 0.000 0.449 200 T N -4.347 110.236 114.554 0.049 0.000 3.107 200 T HA 0.393 4.743 4.350 0.001 0.000 0.249 200 T C 1.325 176.070 174.700 0.076 0.000 1.096 200 T CA 0.945 63.072 62.100 0.045 0.000 1.012 200 T CB -0.069 68.846 68.868 0.077 0.000 0.977 200 T HN 1.620 nan 8.240 nan 0.000 0.527 201 G N 1.408 110.252 108.800 0.073 0.000 2.225 201 G HA2 -0.263 3.698 3.960 0.001 0.000 0.267 201 G HA3 -0.263 3.698 3.960 0.001 0.000 0.267 201 G C 0.145 175.108 174.900 0.105 0.000 1.024 201 G CA 0.229 45.373 45.100 0.074 0.000 0.784 201 G HN 0.683 nan 8.290 nan 0.000 0.507 202 S N -0.661 115.119 115.700 0.134 0.000 2.600 202 S HA 0.423 4.894 4.470 0.001 0.000 0.265 202 S C 0.650 175.314 174.600 0.105 0.000 1.325 202 S CA -0.114 58.186 58.200 0.166 0.000 1.002 202 S CB 1.398 64.727 63.200 0.215 0.000 0.921 202 S HN 0.584 nan 8.310 nan 0.000 0.554 203 K N 1.697 122.162 120.400 0.108 0.000 2.258 203 K HA 0.372 4.692 4.320 0.001 0.000 0.284 203 K C -1.177 175.461 176.600 0.062 0.000 1.051 203 K CA -0.192 56.143 56.287 0.081 0.000 0.923 203 K CB 0.172 32.728 32.500 0.094 0.000 1.046 203 K HN 0.498 nan 8.250 nan 0.000 0.474 204 I N 3.838 124.428 120.570 0.033 0.000 2.378 204 I HA 0.196 4.367 4.170 0.001 0.000 0.291 204 I C -0.462 175.649 176.117 -0.011 0.000 0.992 204 I CA -0.709 60.588 61.300 -0.006 0.000 1.154 204 I CB 2.091 40.082 38.000 -0.014 0.000 1.315 204 I HN 0.570 nan 8.210 nan 0.000 0.448 205 T N 5.566 120.094 114.554 -0.044 0.000 2.807 205 T HA 0.552 4.903 4.350 0.001 0.000 0.279 205 T C -0.401 174.230 174.700 -0.115 0.000 0.993 205 T CA -0.547 61.526 62.100 -0.044 0.000 0.970 205 T CB 2.132 71.003 68.868 0.005 0.000 0.950 205 T HN 0.197 nan 8.240 nan 0.000 0.441 206 V N 4.679 124.543 119.914 -0.083 0.000 2.447 206 V HA 0.468 4.589 4.120 0.001 0.000 0.292 206 V C -0.552 175.494 176.094 -0.081 0.000 1.021 206 V CA -0.740 61.496 62.300 -0.105 0.000 0.850 206 V CB 1.263 33.038 31.823 -0.079 0.000 1.005 206 V HN 0.815 nan 8.190 nan 0.000 0.426 207 I N 5.195 125.698 120.570 -0.111 0.000 2.355 207 I HA 0.626 4.796 4.170 0.001 0.000 0.288 207 I C -0.002 176.043 176.117 -0.120 0.000 0.999 207 I CA -0.443 60.785 61.300 -0.120 0.000 1.163 207 I CB 1.540 39.406 38.000 -0.224 0.000 1.316 207 I HN 0.516 nan 8.210 nan 0.000 0.454 208 R N 3.733 124.191 120.500 -0.070 0.000 2.744 208 R HA 0.676 5.016 4.340 0.001 0.000 0.279 208 R C 0.490 176.790 176.300 0.000 0.000 0.977 208 R CA 0.283 56.360 56.100 -0.039 0.000 0.906 208 R CB 2.012 32.295 30.300 -0.030 0.000 1.197 208 R HN 0.807 nan 8.270 nan 0.000 0.463 209 G N 2.371 111.194 108.800 0.038 0.000 2.622 209 G HA2 -0.359 3.601 3.960 0.001 0.000 0.307 209 G HA3 -0.359 3.601 3.960 0.001 0.000 0.307 209 G C 0.506 175.504 174.900 0.164 0.000 1.226 209 G CA 0.461 45.621 45.100 0.101 0.000 0.997 209 G HN 0.652 nan 8.290 nan 0.000 0.551 210 E N 1.392 121.651 120.200 0.099 0.000 2.265 210 E HA -0.061 4.289 4.350 0.001 0.000 0.196 210 E C 2.435 178.981 176.600 -0.090 0.000 0.996 210 E CA 1.534 57.922 56.400 -0.020 0.000 0.832 210 E CB -0.296 29.395 29.700 -0.014 0.000 0.756 210 E HN 0.793 nan 8.360 nan 0.000 0.491 211 E N 0.590 120.770 120.200 -0.034 0.000 2.153 211 E HA -0.131 4.220 4.350 0.001 0.000 0.194 211 E C 2.190 178.770 176.600 -0.033 0.000 0.988 211 E CA 0.604 56.986 56.400 -0.031 0.000 0.811 211 E CB -0.148 29.541 29.700 -0.018 0.000 0.746 211 E HN 0.201 nan 8.360 nan 0.000 0.466 212 L N 0.349 121.543 121.223 -0.048 0.000 2.017 212 L HA -0.185 4.155 4.340 0.001 0.000 0.208 212 L C 2.455 179.320 176.870 -0.008 0.000 1.073 212 L CA 0.570 55.397 54.840 -0.022 0.000 0.745 212 L CB -0.366 41.694 42.059 0.003 0.000 0.894 212 L HN 0.197 nan 8.230 nan 0.000 0.432 213 L N 0.133 121.152 121.223 -0.340 0.000 1.989 213 L HA -0.246 4.095 4.340 0.001 0.000 0.211 213 L C 2.507 179.244 176.870 -0.222 0.000 1.071 213 L CA 1.899 56.407 54.840 -0.553 0.000 0.749 213 L CB -0.502 40.836 42.059 -1.201 0.000 0.890 213 L HN 0.103 nan 8.230 nan 0.000 0.431 214 K N -0.441 119.865 120.400 -0.157 0.000 2.097 214 K HA -0.076 4.244 4.320 0.001 0.000 0.206 214 K C 1.866 178.468 176.600 0.003 0.000 1.049 214 K CA 1.326 57.574 56.287 -0.065 0.000 0.933 214 K CB -0.413 32.061 32.500 -0.044 0.000 0.717 214 K HN 0.485 nan 8.250 nan 0.000 0.442 215 A N 0.346 123.213 122.820 0.077 0.000 2.238 215 A HA 0.189 4.510 4.320 0.001 0.000 0.208 215 A C 1.385 179.027 177.584 0.097 0.000 1.177 215 A CA 0.808 52.943 52.037 0.163 0.000 0.804 215 A CB -0.284 18.932 19.000 0.360 0.000 0.823 215 A HN 0.431 nan 8.150 nan 0.000 0.482 216 G N -1.802 107.029 108.800 0.051 0.000 2.132 216 G HA2 -0.249 3.712 3.960 0.001 0.000 0.234 216 G HA3 -0.249 3.712 3.960 0.001 0.000 0.234 216 G C 0.032 174.875 174.900 -0.095 0.000 0.989 216 G CA 0.012 45.084 45.100 -0.047 0.000 0.676 216 G HN 0.398 nan 8.290 nan 0.000 0.522 217 F N 2.155 122.060 119.950 -0.074 0.000 2.678 217 F HA 0.418 4.945 4.527 0.001 0.000 0.358 217 F C 1.963 177.743 175.800 -0.033 0.000 1.256 217 F CA 0.446 58.391 58.000 -0.090 0.000 1.278 217 F CB 0.409 39.329 39.000 -0.133 0.000 1.681 217 F HN 0.118 nan 8.300 nan 0.000 0.661 218 G N 1.012 109.871 108.800 0.099 0.000 2.408 218 G HA2 -0.184 3.777 3.960 0.001 0.000 0.217 218 G HA3 -0.184 3.777 3.960 0.001 0.000 0.217 218 G C 1.839 176.882 174.900 0.239 0.000 1.150 218 G CA 0.785 46.018 45.100 0.222 0.000 0.776 218 G HN 0.686 nan 8.290 nan 0.000 0.542 219 G N 1.350 110.209 108.800 0.098 0.000 2.453 219 G HA2 -0.190 3.770 3.960 0.001 0.000 0.215 219 G HA3 -0.190 3.770 3.960 0.001 0.000 0.215 219 G C 1.766 176.718 174.900 0.087 0.000 1.201 219 G CA 0.952 46.091 45.100 0.065 0.000 0.784 219 G HN 0.419 nan 8.290 nan 0.000 0.545 220 I N -0.704 119.924 120.570 0.098 0.000 2.163 220 I HA -0.185 3.986 4.170 0.001 0.000 0.243 220 I C 2.519 178.668 176.117 0.052 0.000 1.085 220 I CA 1.478 62.822 61.300 0.073 0.000 1.347 220 I CB -0.437 37.595 38.000 0.053 0.000 1.044 220 I HN 0.259 nan 8.210 nan 0.000 0.408 221 Y N 1.473 121.743 120.300 -0.050 0.000 2.133 221 Y HA -0.270 4.280 4.550 0.001 0.000 0.287 221 Y C 2.907 178.702 175.900 -0.175 0.000 1.134 221 Y CA 1.825 59.831 58.100 -0.157 0.000 1.133 221 Y CB -0.281 38.016 38.460 -0.272 0.000 0.987 221 Y HN 0.146 nan 8.280 nan 0.000 0.502 222 H N -1.212 117.867 119.070 0.015 0.000 2.428 222 H HA -0.097 4.459 4.556 0.001 0.000 0.296 222 H C 2.474 177.737 175.328 -0.108 0.000 1.062 222 H CA 1.520 57.523 56.048 -0.075 0.000 1.350 222 H CB -0.410 29.388 29.762 0.060 0.000 1.403 222 H HN 0.326 nan 8.280 nan 0.000 0.533 223 V N 0.240 120.172 119.914 0.030 0.000 2.295 223 V HA -0.169 3.951 4.120 0.001 0.000 0.246 223 V C 2.555 178.617 176.094 -0.054 0.000 1.049 223 V CA 2.039 64.339 62.300 0.001 0.000 1.024 223 V CB -0.808 31.027 31.823 0.020 0.000 0.648 223 V HN 0.514 nan 8.190 nan 0.000 0.447 224 G N 0.059 108.792 108.800 -0.111 0.000 3.042 224 G HA2 -0.054 3.906 3.960 0.001 0.000 0.212 224 G HA3 -0.054 3.906 3.960 0.001 0.000 0.212 224 G C 1.388 176.170 174.900 -0.196 0.000 1.166 224 G CA 0.423 45.452 45.100 -0.120 0.000 0.767 224 G HN 0.649 nan 8.290 nan 0.000 0.546 225 K N 0.242 120.438 120.400 -0.340 0.000 2.209 225 K HA 0.191 4.512 4.320 0.001 0.000 0.204 225 K C 1.866 178.352 176.600 -0.189 0.000 1.048 225 K CA 1.216 57.249 56.287 -0.422 0.000 0.940 225 K CB -0.092 32.003 32.500 -0.676 0.000 0.729 225 K HN 0.088 nan 8.250 nan 0.000 0.451 226 A N 1.711 124.460 122.820 -0.118 0.000 2.370 226 A HA 0.290 4.611 4.320 0.001 0.000 0.238 226 A C 0.791 178.350 177.584 -0.041 0.000 1.289 226 A CA -0.098 51.904 52.037 -0.059 0.000 0.885 226 A CB -0.277 18.703 19.000 -0.034 0.000 0.961 226 A HN 0.406 nan 8.150 nan 0.000 0.499 227 G N 0.113 108.883 108.800 -0.050 0.000 2.507 227 G HA2 0.430 4.391 3.960 0.001 0.000 0.271 227 G HA3 0.430 4.391 3.960 0.001 0.000 0.271 227 G C -0.838 174.046 174.900 -0.027 0.000 1.189 227 G CA -0.878 44.206 45.100 -0.028 0.000 0.859 227 G HN 0.147 nan 8.290 nan 0.000 0.542 228 P HA 0.025 nan 4.420 nan 0.000 0.225 228 P C 0.672 177.961 177.300 -0.018 0.000 1.156 228 P CA 0.924 64.011 63.100 -0.021 0.000 0.787 228 P CB 0.148 31.832 31.700 -0.026 0.000 0.802 229 T N -3.505 111.039 114.554 -0.018 0.000 2.907 229 T HA 0.580 4.930 4.350 0.001 0.000 0.292 229 T C -3.146 171.541 174.700 -0.020 0.000 1.043 229 T CA -2.525 59.566 62.100 -0.016 0.000 1.003 229 T CB 2.232 71.093 68.868 -0.012 0.000 1.084 229 T HN -0.198 nan 8.240 nan 0.000 0.483 230 P HA 0.359 nan 4.420 nan 0.000 0.274 230 P C -2.620 174.664 177.300 -0.026 0.000 1.237 230 P CA -1.676 61.411 63.100 -0.023 0.000 0.793 230 P CB -0.427 31.272 31.700 -0.002 0.000 0.977 231 P HA 0.271 nan 4.420 nan 0.000 0.272 231 P C -0.961 176.328 177.300 -0.019 0.000 1.230 231 P CA 0.049 63.130 63.100 -0.031 0.000 0.788 231 P CB 0.500 32.168 31.700 -0.053 0.000 0.949 232 A N 1.286 124.094 122.820 -0.020 0.000 2.574 232 A HA 0.615 4.935 4.320 0.001 0.000 0.297 232 A C -1.890 175.693 177.584 -0.002 0.000 1.062 232 A CA -0.463 51.553 52.037 -0.036 0.000 0.686 232 A CB 1.143 20.114 19.000 -0.047 0.000 1.285 232 A HN 0.406 nan 8.150 nan 0.000 0.403 233 F N 2.425 122.208 119.950 -0.278 0.000 2.449 233 F HA 0.653 5.180 4.527 0.001 0.000 0.342 233 F C -0.897 174.741 175.800 -0.270 0.000 1.127 233 F CA -0.881 56.925 58.000 -0.322 0.000 0.975 233 F CB 1.789 40.424 39.000 -0.608 0.000 1.146 233 F HN 0.359 nan 8.300 nan 0.000 0.444 234 V N 6.758 126.276 119.914 -0.660 0.000 2.448 234 V HA 0.529 4.649 4.120 0.001 0.000 0.295 234 V C -0.789 174.872 176.094 -0.722 0.000 1.025 234 V CA -0.841 61.137 62.300 -0.537 0.000 0.859 234 V CB 1.631 33.272 31.823 -0.303 0.000 0.988 234 V HN 0.544 nan 8.190 nan 0.000 0.431 235 V N 6.426 126.013 119.914 -0.545 0.000 2.409 235 V HA 0.501 4.621 4.120 0.001 0.000 0.291 235 V C -0.301 175.663 176.094 -0.216 0.000 1.020 235 V CA -0.527 61.539 62.300 -0.390 0.000 0.848 235 V CB 1.635 33.316 31.823 -0.237 0.000 0.990 235 V HN 0.645 nan 8.190 nan 0.000 0.430 236 L N 3.797 124.864 121.223 -0.259 0.000 2.287 236 L HA 0.639 4.979 4.340 0.001 0.000 0.287 236 L C 0.073 176.901 176.870 -0.070 0.000 1.022 236 L CA -0.112 54.596 54.840 -0.219 0.000 0.814 236 L CB 1.630 43.400 42.059 -0.481 0.000 1.217 236 L HN 0.548 nan 8.230 nan 0.000 0.420 237 S N 0.532 116.321 115.700 0.148 0.000 2.473 237 S HA 0.347 4.817 4.470 0.001 0.000 0.307 237 S C -0.869 173.887 174.600 0.261 0.000 1.094 237 S CA -0.513 57.844 58.200 0.262 0.000 1.070 237 S CB 1.113 64.531 63.200 0.364 0.000 1.019 237 S HN 0.587 nan 8.310 nan 0.000 0.480 238 H N 2.215 121.342 119.070 0.096 0.000 2.683 238 H HA 0.349 4.905 4.556 0.001 0.000 0.270 238 H C -0.616 174.693 175.328 -0.033 0.000 1.201 238 H CA -0.334 55.740 56.048 0.044 0.000 1.277 238 H CB 0.136 29.892 29.762 -0.009 0.000 1.400 238 H HN 0.523 nan 8.280 nan 0.000 0.504 239 E N 4.080 124.168 120.200 -0.187 0.000 2.146 239 E HA 0.295 4.646 4.350 0.001 0.000 0.282 239 E C -0.701 175.765 176.600 -0.223 0.000 0.989 239 E CA -0.907 55.408 56.400 -0.141 0.000 0.799 239 E CB 2.247 31.944 29.700 -0.004 0.000 1.088 239 E HN 0.257 nan 8.360 nan 0.000 0.397 240 V N 5.524 125.321 119.914 -0.195 0.000 2.293 240 V HA 0.212 4.333 4.120 0.001 0.000 0.275 240 V C -2.221 173.815 176.094 -0.097 0.000 1.021 240 V CA -2.167 60.028 62.300 -0.175 0.000 0.815 240 V CB 0.836 32.549 31.823 -0.183 0.000 1.025 240 V HN 0.569 nan 8.190 nan 0.000 0.448 241 P HA 0.127 nan 4.420 nan 0.000 0.261 241 P C 1.112 178.402 177.300 -0.017 0.000 1.173 241 P CA 1.376 64.467 63.100 -0.015 0.000 0.760 241 P CB 0.523 32.215 31.700 -0.015 0.000 0.783 242 G N 2.109 110.919 108.800 0.016 0.000 2.166 242 G HA2 -0.273 3.688 3.960 0.001 0.000 0.260 242 G HA3 -0.273 3.688 3.960 0.001 0.000 0.260 242 G C 0.369 175.260 174.900 -0.015 0.000 0.986 242 G CA 0.372 45.481 45.100 0.015 0.000 0.683 242 G HN 0.801 nan 8.290 nan 0.000 0.527 243 S N -0.489 115.165 115.700 -0.075 0.000 2.568 243 S HA 0.454 4.924 4.470 0.001 0.000 0.282 243 S C 1.680 176.210 174.600 -0.116 0.000 1.338 243 S CA 0.924 59.023 58.200 -0.169 0.000 1.045 243 S CB 1.453 64.461 63.200 -0.320 0.000 0.873 243 S HN 1.350 nan 8.310 nan 0.000 0.516 244 T N -1.225 113.265 114.554 -0.107 0.000 2.942 244 T HA 0.074 4.425 4.350 0.001 0.000 0.265 244 T C 0.308 175.003 174.700 -0.008 0.000 1.062 244 T CA 0.392 62.480 62.100 -0.020 0.000 1.139 244 T CB -0.307 68.556 68.868 -0.009 0.000 0.883 244 T HN 0.650 nan 8.240 nan 0.000 0.468 245 E N 1.340 121.440 120.200 -0.167 0.000 2.222 245 E HA 0.447 4.797 4.350 0.001 0.000 0.272 245 E C -1.259 175.184 176.600 -0.262 0.000 0.982 245 E CA -0.564 55.771 56.400 -0.108 0.000 0.842 245 E CB 1.278 30.867 29.700 -0.185 0.000 1.144 245 E HN 0.534 nan 8.360 nan 0.000 0.397 246 H N 0.544 119.652 119.070 0.064 0.000 3.092 246 H HA 0.439 4.996 4.556 0.001 0.000 0.308 246 H C -0.683 174.762 175.328 0.194 0.000 1.047 246 H CA -0.193 55.932 56.048 0.128 0.000 1.466 246 H CB 0.508 30.345 29.762 0.124 0.000 1.597 246 H HN 0.208 nan 8.280 nan 0.000 0.512 247 I N 2.091 122.841 120.570 0.300 0.000 2.404 247 I HA 0.633 4.804 4.170 0.001 0.000 0.293 247 I C -0.130 176.217 176.117 0.383 0.000 0.992 247 I CA -0.856 60.648 61.300 0.341 0.000 1.149 247 I CB 1.757 39.986 38.000 0.382 0.000 1.315 247 I HN 0.562 nan 8.210 nan 0.000 0.446 248 A N 7.531 130.574 122.820 0.373 0.000 2.318 248 A HA 0.815 5.136 4.320 0.001 0.000 0.324 248 A C -0.780 176.998 177.584 0.323 0.000 1.170 248 A CA -0.503 51.742 52.037 0.346 0.000 0.810 248 A CB 0.757 19.931 19.000 0.289 0.000 1.198 248 A HN 0.711 nan 8.150 nan 0.000 0.484 249 L N 3.577 124.919 121.223 0.198 0.000 2.283 249 L HA 0.395 4.736 4.340 0.001 0.000 0.281 249 L C -0.777 176.143 176.870 0.083 0.000 1.033 249 L CA -0.662 54.221 54.840 0.073 0.000 0.848 249 L CB 1.210 43.177 42.059 -0.153 0.000 1.226 249 L HN 0.414 nan 8.230 nan 0.000 0.429 250 V N 2.146 122.163 119.914 0.171 0.000 2.407 250 V HA 0.666 4.787 4.120 0.001 0.000 0.278 250 V C 0.667 176.856 176.094 0.159 0.000 1.037 250 V CA -0.404 62.010 62.300 0.189 0.000 0.900 250 V CB 1.430 33.419 31.823 0.277 0.000 0.983 250 V HN 0.800 nan 8.190 nan 0.000 0.459 251 G N 3.198 112.067 108.800 0.114 0.000 2.513 251 G HA2 0.520 4.481 3.960 0.001 0.000 0.317 251 G HA3 0.520 4.481 3.960 0.001 0.000 0.317 251 G C -0.848 174.116 174.900 0.107 0.000 1.277 251 G CA -0.763 44.393 45.100 0.094 0.000 0.955 251 G HN 0.642 nan 8.290 nan 0.000 0.484 252 K N 1.320 121.786 120.400 0.110 0.000 2.316 252 K HA 0.403 4.723 4.320 0.001 0.000 0.289 252 K C 0.485 177.123 176.600 0.064 0.000 1.070 252 K CA -0.376 55.971 56.287 0.100 0.000 0.928 252 K CB 0.557 33.122 32.500 0.108 0.000 1.039 252 K HN 0.463 nan 8.250 nan 0.000 0.480 253 G N 3.762 112.595 108.800 0.054 0.000 4.873 253 G HA2 0.195 4.155 3.960 0.001 0.000 0.314 253 G HA3 0.195 4.155 3.960 0.001 0.000 0.314 253 G C -0.558 174.358 174.900 0.027 0.000 1.426 253 G CA -0.435 44.684 45.100 0.031 0.000 1.136 253 G HN 0.446 nan 8.290 nan 0.000 0.589 254 V N 2.511 122.440 119.914 0.026 0.000 2.370 254 V HA -0.009 4.112 4.120 0.001 0.000 0.257 254 V C 1.806 177.910 176.094 0.017 0.000 1.064 254 V CA 0.068 62.379 62.300 0.019 0.000 0.975 254 V CB 0.850 32.677 31.823 0.007 0.000 1.067 254 V HN 0.452 nan 8.190 nan 0.000 0.485 255 V N 3.003 122.941 119.914 0.039 0.000 2.626 255 V HA 0.037 4.158 4.120 0.001 0.000 0.252 255 V C 0.378 176.554 176.094 0.137 0.000 1.067 255 V CA 1.084 63.419 62.300 0.059 0.000 1.081 255 V CB -0.779 31.073 31.823 0.048 0.000 0.686 255 V HN 0.653 nan 8.190 nan 0.000 0.468 256 Y N -0.345 119.947 120.300 -0.012 0.000 2.480 256 Y HA 0.589 5.140 4.550 0.001 0.000 0.329 256 Y C -1.737 174.161 175.900 -0.004 0.000 1.127 256 Y CA -1.370 56.724 58.100 -0.009 0.000 1.037 256 Y CB 1.887 40.340 38.460 -0.012 0.000 1.320 256 Y HN 0.121 nan 8.280 nan 0.000 0.446 257 D N 2.491 122.631 120.400 -0.434 0.000 2.453 257 D HA 0.212 4.852 4.640 0.001 0.000 0.238 257 D C 0.658 176.841 176.300 -0.195 0.000 1.088 257 D CA -0.020 53.861 54.000 -0.198 0.000 0.854 257 D CB 1.507 42.202 40.800 -0.174 0.000 1.076 257 D HN 0.658 nan 8.370 nan 0.000 0.533 258 T N 0.531 115.140 114.554 0.092 0.000 3.085 258 T HA 0.236 4.587 4.350 0.001 0.000 0.263 258 T C 1.515 176.244 174.700 0.048 0.000 1.127 258 T CA 0.678 62.868 62.100 0.150 0.000 1.103 258 T CB 0.105 69.078 68.868 0.174 0.000 0.921 258 T HN 0.588 nan 8.240 nan 0.000 0.510 259 G N 0.564 109.371 108.800 0.012 0.000 2.234 259 G HA2 0.193 4.154 3.960 0.001 0.000 0.235 259 G HA3 0.193 4.154 3.960 0.001 0.000 0.235 259 G C 1.034 175.943 174.900 0.014 0.000 0.997 259 G CA 0.251 45.354 45.100 0.004 0.000 0.623 259 G HN 1.776 nan 8.290 nan 0.000 0.514 260 G N -0.592 108.224 108.800 0.027 0.000 2.593 260 G HA2 -0.102 3.858 3.960 0.001 0.000 0.237 260 G HA3 -0.102 3.858 3.960 0.001 0.000 0.237 260 G C 0.914 175.825 174.900 0.018 0.000 1.312 260 G CA 0.271 45.384 45.100 0.022 0.000 0.896 260 G HN 1.183 nan 8.290 nan 0.000 0.574 261 L N 0.318 121.548 121.223 0.012 0.000 2.079 261 L HA -0.044 4.297 4.340 0.001 0.000 0.210 261 L C 2.154 179.028 176.870 0.007 0.000 1.081 261 L CA 1.806 56.651 54.840 0.009 0.000 0.752 261 L CB -0.259 41.804 42.059 0.006 0.000 0.896 261 L HN 0.590 nan 8.230 nan 0.000 0.433 262 Q N 0.765 120.568 119.800 0.005 0.000 3.004 262 Q HA 0.140 4.481 4.340 0.001 0.000 0.256 262 Q C -0.142 175.861 176.000 0.005 0.000 1.387 262 Q CA -0.081 55.724 55.803 0.002 0.000 0.962 262 Q CB 0.074 28.811 28.738 -0.002 0.000 1.676 262 Q HN 0.340 nan 8.270 nan 0.000 0.568 263 I N 1.203 121.779 120.570 0.010 0.000 2.754 263 I HA -0.031 4.140 4.170 0.001 0.000 0.285 263 I C 0.269 176.394 176.117 0.014 0.000 1.166 263 I CA 0.035 61.345 61.300 0.017 0.000 1.417 263 I CB 0.574 38.587 38.000 0.022 0.000 1.382 263 I HN 0.319 nan 8.210 nan 0.000 0.588 264 K N 3.745 124.155 120.400 0.018 0.000 2.180 264 K HA 0.173 4.493 4.320 0.001 0.000 0.251 264 K C 0.125 176.736 176.600 0.019 0.000 1.014 264 K CA -0.233 56.062 56.287 0.012 0.000 0.913 264 K CB 0.529 33.033 32.500 0.006 0.000 1.008 264 K HN 0.716 nan 8.250 nan 0.000 0.490 265 T N -1.891 112.672 114.554 0.015 0.000 2.816 265 T HA 0.089 4.440 4.350 0.001 0.000 0.282 265 T C 1.240 175.955 174.700 0.025 0.000 0.993 265 T CA -0.609 61.502 62.100 0.018 0.000 0.994 265 T CB 1.090 69.966 68.868 0.014 0.000 1.025 265 T HN 0.635 nan 8.240 nan 0.000 0.529 266 K N 0.144 120.559 120.400 0.025 0.000 2.059 266 K HA -0.202 4.118 4.320 0.001 0.000 0.212 266 K C 2.091 178.709 176.600 0.031 0.000 1.050 266 K CA 2.237 58.542 56.287 0.029 0.000 0.927 266 K CB -0.836 31.678 32.500 0.023 0.000 0.714 266 K HN 0.869 nan 8.250 nan 0.000 0.447 267 T N -3.807 110.763 114.554 0.027 0.000 3.065 267 T HA 0.133 4.483 4.350 0.001 0.000 0.252 267 T C 1.718 176.434 174.700 0.026 0.000 1.099 267 T CA 0.440 62.556 62.100 0.027 0.000 1.063 267 T CB 0.599 69.482 68.868 0.025 0.000 0.948 267 T HN 0.284 nan 8.240 nan 0.000 0.506 268 G N 0.545 109.359 108.800 0.023 0.000 2.744 268 G HA2 0.192 4.153 3.960 0.001 0.000 0.211 268 G HA3 0.192 4.153 3.960 0.001 0.000 0.211 268 G C 1.351 176.254 174.900 0.006 0.000 1.146 268 G CA -0.017 45.092 45.100 0.014 0.000 0.787 268 G HN 0.449 nan 8.290 nan 0.000 0.534 269 M N 0.346 119.960 119.600 0.024 0.000 2.334 269 M HA 0.188 4.668 4.480 0.001 0.000 0.266 269 M C -1.625 174.713 176.300 0.063 0.000 1.082 269 M CA 0.007 55.329 55.300 0.036 0.000 1.141 269 M CB -0.097 32.559 32.600 0.093 0.000 1.380 269 M HN -0.068 nan 8.290 nan 0.000 0.440 270 P HA 0.079 nan 4.420 nan 0.000 0.267 270 P C -0.558 176.764 177.300 0.036 0.000 1.200 270 P CA 0.615 63.761 63.100 0.077 0.000 0.772 270 P CB 0.362 32.099 31.700 0.061 0.000 0.855 271 N N -0.206 118.519 118.700 0.042 0.000 2.984 271 N HA -0.144 4.596 4.740 0.001 0.000 0.227 271 N C 0.534 176.007 175.510 -0.061 0.000 0.903 271 N CA 0.947 54.001 53.050 0.006 0.000 0.995 271 N CB -1.620 36.868 38.487 0.002 0.000 1.065 271 N HN 0.385 nan 8.380 nan 0.000 0.585 272 M N 1.073 120.574 119.600 -0.166 0.000 2.659 272 M HA 0.040 4.520 4.480 0.001 0.000 0.243 272 M C 1.968 177.991 176.300 -0.462 0.000 1.111 272 M CA 0.825 55.874 55.300 -0.419 0.000 1.070 272 M CB -0.705 31.481 32.600 -0.690 0.000 1.525 272 M HN 0.389 nan 8.290 nan 0.000 0.517 273 K N 0.403 120.740 120.400 -0.105 0.000 2.360 273 K HA -0.135 4.186 4.320 0.001 0.000 0.201 273 K C 1.375 177.965 176.600 -0.017 0.000 1.046 273 K CA 1.127 57.458 56.287 0.072 0.000 0.940 273 K CB -0.238 32.335 32.500 0.122 0.000 0.748 273 K HN 0.317 nan 8.250 nan 0.000 0.465 274 R N 0.457 120.927 120.500 -0.050 0.000 2.310 274 R HA 0.014 4.354 4.340 0.001 0.000 0.202 274 R C 0.595 176.872 176.300 -0.038 0.000 0.933 274 R CA 0.397 56.477 56.100 -0.034 0.000 1.054 274 R CB 0.063 30.348 30.300 -0.025 0.000 0.985 274 R HN 0.203 nan 8.270 nan 0.000 0.489 275 D N 1.000 121.363 120.400 -0.062 0.000 2.363 275 D HA -0.054 4.586 4.640 0.001 0.000 0.226 275 D C 0.806 177.098 176.300 -0.014 0.000 1.020 275 D CA 0.549 54.520 54.000 -0.048 0.000 0.892 275 D CB 0.395 41.142 40.800 -0.087 0.000 0.900 275 D HN 0.114 nan 8.370 nan 0.000 0.531 276 M N -3.107 116.489 119.600 -0.007 0.000 2.404 276 M HA 0.434 4.915 4.480 0.001 0.000 0.271 276 M C 1.671 177.980 176.300 0.014 0.000 1.128 276 M CA -0.312 54.993 55.300 0.008 0.000 0.982 276 M CB -0.204 32.399 32.600 0.005 0.000 1.445 276 M HN -0.179 nan 8.290 nan 0.000 0.495 277 G N 0.966 109.774 108.800 0.014 0.000 2.432 277 G HA2 -0.034 3.926 3.960 0.001 0.000 0.219 277 G HA3 -0.034 3.926 3.960 0.001 0.000 0.219 277 G C 1.391 176.321 174.900 0.051 0.000 1.135 277 G CA 0.714 45.830 45.100 0.027 0.000 0.767 277 G HN 0.621 nan 8.290 nan 0.000 0.550 278 G N 1.052 109.884 108.800 0.053 0.000 2.402 278 G HA2 0.070 4.031 3.960 0.001 0.000 0.216 278 G HA3 0.070 4.031 3.960 0.001 0.000 0.216 278 G C 2.046 176.982 174.900 0.061 0.000 1.162 278 G CA 1.468 46.614 45.100 0.077 0.000 0.777 278 G HN 0.601 nan 8.290 nan 0.000 0.539 279 A N 1.276 124.121 122.820 0.042 0.000 1.877 279 A HA 0.248 4.569 4.320 0.001 0.000 0.216 279 A C 2.835 180.422 177.584 0.004 0.000 1.186 279 A CA 2.362 54.408 52.037 0.016 0.000 0.620 279 A CB -0.894 18.111 19.000 0.008 0.000 0.822 279 A HN 0.797 nan 8.150 nan 0.000 0.443 280 A N -0.533 122.295 122.820 0.014 0.000 1.902 280 A HA 0.098 4.418 4.320 0.001 0.000 0.217 280 A C 2.422 180.022 177.584 0.027 0.000 1.181 280 A CA 2.031 54.077 52.037 0.014 0.000 0.623 280 A CB -1.407 17.603 19.000 0.017 0.000 0.818 280 A HN 0.747 nan 8.150 nan 0.000 0.443 281 G N -1.125 107.707 108.800 0.053 0.000 2.402 281 G HA2 -0.160 3.800 3.960 0.001 0.000 0.216 281 G HA3 -0.160 3.800 3.960 0.001 0.000 0.216 281 G C 1.481 176.404 174.900 0.038 0.000 1.162 281 G CA 1.283 46.431 45.100 0.079 0.000 0.777 281 G HN 0.319 nan 8.290 nan 0.000 0.539 282 M N 0.018 119.616 119.600 -0.004 0.000 2.132 282 M HA 0.095 4.575 4.480 0.001 0.000 0.263 282 M C 2.453 178.716 176.300 -0.062 0.000 1.065 282 M CA 0.665 55.908 55.300 -0.094 0.000 1.122 282 M CB -1.290 31.252 32.600 -0.096 0.000 1.365 282 M HN 0.274 nan 8.290 nan 0.000 0.411 283 L N 0.966 122.164 121.223 -0.042 0.000 2.012 283 L HA -0.181 4.159 4.340 0.001 0.000 0.210 283 L C 2.255 179.149 176.870 0.039 0.000 1.073 283 L CA 1.959 56.782 54.840 -0.029 0.000 0.748 283 L CB -0.635 41.402 42.059 -0.037 0.000 0.891 283 L HN 0.251 nan 8.230 nan 0.000 0.431 284 E N -0.205 120.011 120.200 0.026 0.000 2.158 284 E HA -0.057 4.293 4.350 0.001 0.000 0.191 284 E C 2.209 178.827 176.600 0.030 0.000 0.982 284 E CA 1.023 57.442 56.400 0.031 0.000 0.823 284 E CB -0.424 29.290 29.700 0.022 0.000 0.766 284 E HN 0.634 nan 8.360 nan 0.000 0.468 285 A N 1.004 123.839 122.820 0.024 0.000 1.877 285 A HA -0.229 4.091 4.320 0.001 0.000 0.216 285 A C 2.153 179.724 177.584 -0.021 0.000 1.186 285 A CA 1.540 53.586 52.037 0.014 0.000 0.620 285 A CB -0.936 18.055 19.000 -0.016 0.000 0.822 285 A HN 0.351 nan 8.150 nan 0.000 0.443 286 Y N 0.646 120.848 120.300 -0.164 0.000 2.181 286 Y HA -0.192 4.358 4.550 0.001 0.000 0.288 286 Y C 2.905 178.707 175.900 -0.163 0.000 1.146 286 Y CA 1.916 59.890 58.100 -0.210 0.000 1.164 286 Y CB -0.415 37.938 38.460 -0.177 0.000 0.982 286 Y HN 0.328 nan 8.280 nan 0.000 0.515 287 S N 0.001 115.727 115.700 0.043 0.000 2.359 287 S HA -0.241 4.230 4.470 0.001 0.000 0.224 287 S C 2.278 176.843 174.600 -0.057 0.000 1.035 287 S CA 1.517 59.707 58.200 -0.018 0.000 1.018 287 S CB -0.922 62.306 63.200 0.046 0.000 0.876 287 S HN 0.649 nan 8.310 nan 0.000 0.448 288 A N 1.300 124.119 122.820 -0.002 0.000 1.902 288 A HA 0.037 4.357 4.320 0.001 0.000 0.217 288 A C 2.256 179.942 177.584 0.171 0.000 1.181 288 A CA 1.545 53.639 52.037 0.094 0.000 0.623 288 A CB -0.817 18.234 19.000 0.084 0.000 0.818 288 A HN 0.587 nan 8.150 nan 0.000 0.443 289 L N -0.706 120.513 121.223 -0.006 0.000 2.056 289 L HA -0.133 4.208 4.340 0.001 0.000 0.207 289 L C 2.421 179.214 176.870 -0.128 0.000 1.078 289 L CA 1.002 55.803 54.840 -0.065 0.000 0.749 289 L CB -0.475 41.344 42.059 -0.400 0.000 0.901 289 L HN 0.234 nan 8.230 nan 0.000 0.433 290 V N -0.397 119.282 119.914 -0.391 0.000 2.667 290 V HA -0.195 3.926 4.120 0.001 0.000 0.252 290 V C 2.291 178.252 176.094 -0.222 0.000 1.065 290 V CA 1.310 63.313 62.300 -0.496 0.000 1.083 290 V CB -0.497 30.835 31.823 -0.818 0.000 0.692 290 V HN 0.382 nan 8.190 nan 0.000 0.468 291 K N -0.665 119.657 120.400 -0.130 0.000 2.360 291 K HA -0.078 4.243 4.320 0.001 0.000 0.201 291 K C 0.745 177.120 176.600 -0.376 0.000 1.046 291 K CA 0.809 56.987 56.287 -0.183 0.000 0.945 291 K CB -0.065 32.365 32.500 -0.116 0.000 0.750 291 K HN 0.585 nan 8.250 nan 0.000 0.464 292 H N -0.552 118.541 119.070 0.038 0.000 2.591 292 H HA 0.131 4.688 4.556 0.001 0.000 0.241 292 H C 0.258 175.625 175.328 0.066 0.000 1.292 292 H CA 0.149 56.238 56.048 0.069 0.000 1.022 292 H CB 0.759 30.587 29.762 0.109 0.000 1.875 292 H HN 0.322 nan 8.280 nan 0.000 0.570 293 G N 1.508 110.365 108.800 0.094 0.000 2.272 293 G HA2 -0.308 3.653 3.960 0.001 0.000 0.280 293 G HA3 -0.308 3.653 3.960 0.001 0.000 0.280 293 G C -0.082 174.903 174.900 0.143 0.000 1.067 293 G CA -0.222 44.939 45.100 0.102 0.000 0.902 293 G HN 0.439 nan 8.290 nan 0.000 0.500 294 F N 1.905 121.857 119.950 0.003 0.000 2.571 294 F HA 0.365 4.892 4.527 0.001 0.000 0.384 294 F C 1.675 177.558 175.800 0.138 0.000 1.058 294 F CA 0.715 58.728 58.000 0.023 0.000 1.200 294 F CB 0.855 39.758 39.000 -0.162 0.000 1.077 294 F HN 0.310 nan 8.300 nan 0.000 0.558 295 S N 3.343 118.814 115.700 -0.382 0.000 2.548 295 S HA 0.172 4.642 4.470 0.001 0.000 0.215 295 S C 0.357 174.772 174.600 -0.308 0.000 0.976 295 S CA -0.283 57.781 58.200 -0.226 0.000 0.908 295 S CB -0.077 63.020 63.200 -0.172 0.000 0.781 295 S HN 0.624 nan 8.310 nan 0.000 0.519 296 Q N 1.272 120.768 119.800 -0.505 0.000 2.306 296 Q HA 0.439 4.780 4.340 0.001 0.000 0.269 296 Q C -0.711 175.287 176.000 -0.003 0.000 1.053 296 Q CA -0.389 55.195 55.803 -0.365 0.000 0.879 296 Q CB 0.936 29.288 28.738 -0.643 0.000 1.344 296 Q HN 0.141 nan 8.270 nan 0.000 0.464 297 T N 1.756 116.212 114.554 -0.164 0.000 2.853 297 T HA 0.328 4.679 4.350 0.001 0.000 0.298 297 T C -0.299 174.411 174.700 0.016 0.000 0.978 297 T CA 0.014 62.043 62.100 -0.118 0.000 1.152 297 T CB -0.082 68.636 68.868 -0.251 0.000 0.914 297 T HN 0.265 nan 8.240 nan 0.000 0.539 298 L N 4.437 125.652 121.223 -0.014 0.000 2.431 298 L HA 0.476 4.817 4.340 0.001 0.000 0.266 298 L C -1.196 175.624 176.870 -0.083 0.000 0.978 298 L CA -0.469 54.383 54.840 0.020 0.000 0.822 298 L CB 1.745 43.768 42.059 -0.061 0.000 1.310 298 L HN 0.662 nan 8.230 nan 0.000 0.409 299 H N 3.482 122.704 119.070 0.253 0.000 2.600 299 H HA 0.757 5.313 4.556 0.001 0.000 0.357 299 H C -0.950 174.368 175.328 -0.016 0.000 1.106 299 H CA -0.725 55.407 56.048 0.141 0.000 1.193 299 H CB 2.077 31.919 29.762 0.134 0.000 1.594 299 H HN 0.775 nan 8.280 nan 0.000 0.526 300 A N 2.042 124.716 122.820 -0.244 0.000 2.276 300 A HA 0.502 4.822 4.320 0.001 0.000 0.316 300 A C -0.334 177.109 177.584 -0.234 0.000 1.229 300 A CA -0.473 51.377 52.037 -0.311 0.000 0.851 300 A CB 0.257 18.870 19.000 -0.645 0.000 1.165 300 A HN 0.732 nan 8.150 nan 0.000 0.513 301 C N 3.709 122.931 119.300 -0.130 0.000 2.321 301 C HA 0.544 5.005 4.460 0.001 0.000 0.323 301 C C -0.163 174.739 174.990 -0.147 0.000 1.191 301 C CA -0.543 58.353 59.018 -0.203 0.000 1.455 301 C CB -0.765 27.028 27.740 0.089 0.000 2.083 301 C HN 0.739 nan 8.230 nan 0.000 0.442 302 L N 2.607 123.646 121.223 -0.307 0.000 2.287 302 L HA 0.453 4.793 4.340 0.001 0.000 0.287 302 L C -0.404 176.452 176.870 -0.023 0.000 1.022 302 L CA -0.154 54.609 54.840 -0.128 0.000 0.814 302 L CB 0.890 42.860 42.059 -0.149 0.000 1.217 302 L HN 0.619 nan 8.230 nan 0.000 0.420 303 C N 5.293 124.674 119.300 0.134 0.000 2.239 303 C HA 0.563 5.023 4.460 0.001 0.000 0.325 303 C C 0.358 175.404 174.990 0.094 0.000 1.231 303 C CA -0.657 58.486 59.018 0.208 0.000 1.652 303 C CB -0.709 27.168 27.740 0.228 0.000 2.284 303 C HN 0.568 nan 8.230 nan 0.000 0.499 304 I N 4.710 125.316 120.570 0.059 0.000 2.411 304 I HA 0.595 4.766 4.170 0.001 0.000 0.284 304 I C -0.153 175.973 176.117 0.014 0.000 1.012 304 I CA -0.147 61.166 61.300 0.021 0.000 1.119 304 I CB 1.079 39.073 38.000 -0.010 0.000 1.261 304 I HN 0.562 nan 8.210 nan 0.000 0.448 305 V N 1.947 121.871 119.914 0.017 0.000 3.147 305 V HA 0.624 4.744 4.120 0.001 0.000 0.306 305 V C -1.071 175.034 176.094 0.018 0.000 1.209 305 V CA -0.719 61.585 62.300 0.006 0.000 1.023 305 V CB 2.112 33.937 31.823 0.004 0.000 1.059 305 V HN 0.766 nan 8.190 nan 0.000 0.435 306 E N 2.013 122.222 120.200 0.015 0.000 2.171 306 E HA 0.463 4.813 4.350 0.001 0.000 0.271 306 E C -1.110 175.511 176.600 0.035 0.000 0.916 306 E CA -0.725 55.703 56.400 0.046 0.000 0.774 306 E CB 1.602 31.333 29.700 0.052 0.000 1.128 306 E HN 0.830 nan 8.360 nan 0.000 0.403 307 N N 4.111 122.845 118.700 0.056 0.000 2.500 307 N HA 0.200 4.940 4.740 0.001 0.000 0.236 307 N C -1.287 174.264 175.510 0.068 0.000 1.022 307 N CA -0.138 52.937 53.050 0.041 0.000 0.935 307 N CB 0.421 38.925 38.487 0.027 0.000 1.147 307 N HN 0.493 nan 8.380 nan 0.000 0.512 308 N N 1.728 120.453 118.700 0.043 0.000 3.343 308 N HA 0.506 5.247 4.740 0.001 0.000 0.330 308 N C -1.724 173.801 175.510 0.024 0.000 1.560 308 N CA -0.411 52.667 53.050 0.048 0.000 0.752 308 N CB 1.541 40.048 38.487 0.032 0.000 1.863 308 N HN 0.055 nan 8.380 nan 0.000 0.636 309 V N 1.111 121.036 119.914 0.018 0.000 2.443 309 V HA 0.613 4.734 4.120 0.001 0.000 0.293 309 V C -0.435 175.662 176.094 0.005 0.000 1.021 309 V CA -0.365 61.943 62.300 0.013 0.000 0.848 309 V CB 0.824 32.658 31.823 0.018 0.000 0.998 309 V HN 0.834 nan 8.190 nan 0.000 0.424 310 S N 4.752 120.454 115.700 0.003 0.000 2.611 310 S HA 0.572 5.042 4.470 0.001 0.000 0.268 310 S C -2.722 171.880 174.600 0.004 0.000 1.156 310 S CA -0.956 57.245 58.200 0.001 0.000 0.817 310 S CB 1.842 65.041 63.200 -0.003 0.000 1.122 310 S HN 0.321 nan 8.310 nan 0.000 0.466 311 P HA 0.069 nan 4.420 nan 0.000 0.223 311 P C 1.206 178.513 177.300 0.011 0.000 1.144 311 P CA 0.948 64.052 63.100 0.007 0.000 0.783 311 P CB -0.334 31.371 31.700 0.008 0.000 0.771 312 I N -5.607 114.969 120.570 0.011 0.000 3.883 312 I HA 0.369 4.539 4.170 0.001 0.000 0.326 312 I C 0.791 176.917 176.117 0.016 0.000 1.283 312 I CA -0.542 60.769 61.300 0.019 0.000 1.161 312 I CB -0.341 37.673 38.000 0.023 0.000 1.012 312 I HN -0.270 nan 8.210 nan 0.000 0.421 313 A N 1.804 124.628 122.820 0.006 0.000 2.406 313 A HA 0.218 4.539 4.320 0.001 0.000 0.243 313 A C 0.179 177.770 177.584 0.012 0.000 1.082 313 A CA -0.269 51.770 52.037 0.003 0.000 0.786 313 A CB -0.070 18.931 19.000 0.002 0.000 1.029 313 A HN 0.482 nan 8.150 nan 0.000 0.495 314 N N 1.029 119.738 118.700 0.015 0.000 2.293 314 N HA 0.051 4.791 4.740 0.001 0.000 0.253 314 N C -0.316 175.195 175.510 0.002 0.000 1.248 314 N CA 0.883 53.938 53.050 0.009 0.000 0.845 314 N CB 0.173 38.669 38.487 0.014 0.000 1.073 314 N HN 0.519 nan 8.380 nan 0.000 0.464 315 K N 2.276 122.673 120.400 -0.005 0.000 2.318 315 K HA 0.448 4.768 4.320 0.001 0.000 0.249 315 K C -2.467 174.127 176.600 -0.010 0.000 0.942 315 K CA -1.745 54.539 56.287 -0.006 0.000 0.808 315 K CB 1.906 34.402 32.500 -0.007 0.000 1.189 315 K HN 0.309 nan 8.250 nan 0.000 0.428 316 P HA 0.014 nan 4.420 nan 0.000 0.268 316 P C -0.651 176.640 177.300 -0.014 0.000 1.204 316 P CA 0.523 63.616 63.100 -0.011 0.000 0.768 316 P CB 0.581 32.275 31.700 -0.010 0.000 0.842 317 D N -1.255 119.135 120.400 -0.017 0.000 1.839 317 D HA -0.114 4.527 4.640 0.001 0.000 0.189 317 D C -0.261 176.024 176.300 -0.025 0.000 1.186 317 D CA 1.088 55.076 54.000 -0.019 0.000 1.191 317 D CB -1.725 39.065 40.800 -0.017 0.000 1.310 317 D HN 0.401 nan 8.370 nan 0.000 0.607 318 D N 0.735 121.117 120.400 -0.029 0.000 2.472 318 D HA 0.245 4.886 4.640 0.001 0.000 0.237 318 D C 0.611 176.881 176.300 -0.049 0.000 1.141 318 D CA 0.596 54.569 54.000 -0.045 0.000 0.875 318 D CB 0.412 41.179 40.800 -0.055 0.000 1.192 318 D HN 0.294 nan 8.370 nan 0.000 0.450 319 I N 3.142 123.675 120.570 -0.061 0.000 2.406 319 I HA 0.356 4.526 4.170 0.001 0.000 0.290 319 I C 0.220 176.281 176.117 -0.093 0.000 0.999 319 I CA -0.829 60.436 61.300 -0.058 0.000 1.124 319 I CB 1.139 39.115 38.000 -0.041 0.000 1.289 319 I HN 0.218 nan 8.210 nan 0.000 0.441 320 I N 2.445 122.963 120.570 -0.087 0.000 2.846 320 I HA 0.587 4.758 4.170 0.001 0.000 0.307 320 I C -0.737 175.353 176.117 -0.045 0.000 1.053 320 I CA -0.960 60.272 61.300 -0.113 0.000 1.050 320 I CB 2.036 39.949 38.000 -0.144 0.000 1.239 320 I HN 0.469 nan 8.210 nan 0.000 0.439 321 K N 4.369 124.755 120.400 -0.025 0.000 2.213 321 K HA 0.464 4.784 4.320 0.001 0.000 0.270 321 K C -0.685 175.893 176.600 -0.037 0.000 1.002 321 K CA -0.767 55.503 56.287 -0.028 0.000 0.868 321 K CB 1.023 33.505 32.500 -0.031 0.000 1.093 321 K HN 0.583 nan 8.250 nan 0.000 0.454 322 M N 3.846 123.386 119.600 -0.099 0.000 2.245 322 M HA 0.080 4.560 4.480 0.001 0.000 0.292 322 M C 1.310 177.447 176.300 -0.272 0.000 1.176 322 M CA -0.392 54.792 55.300 -0.194 0.000 1.035 322 M CB 0.106 32.493 32.600 -0.354 0.000 1.440 322 M HN 0.673 nan 8.290 nan 0.000 0.494 323 L N 1.722 122.734 121.223 -0.353 0.000 2.079 323 L HA -0.202 4.138 4.340 0.001 0.000 0.210 323 L C 2.387 178.819 176.870 -0.730 0.000 1.081 323 L CA 2.266 56.829 54.840 -0.461 0.000 0.752 323 L CB -0.722 41.039 42.059 -0.497 0.000 0.896 323 L HN 0.940 nan 8.230 nan 0.000 0.433 324 S N -1.119 113.958 115.700 -1.038 0.000 2.469 324 S HA 0.028 4.498 4.470 0.001 0.000 0.238 324 S C 1.772 175.952 174.600 -0.699 0.000 0.998 324 S CA 0.850 58.137 58.200 -1.523 0.000 0.957 324 S CB -0.713 61.994 63.200 -0.821 0.000 0.764 324 S HN 0.866 nan 8.310 nan 0.000 0.514 325 G N 0.638 109.197 108.800 -0.401 0.000 2.217 325 G HA2 -0.260 3.701 3.960 0.001 0.000 0.246 325 G HA3 -0.260 3.701 3.960 0.001 0.000 0.246 325 G C 0.045 174.863 174.900 -0.136 0.000 0.990 325 G CA 0.259 45.230 45.100 -0.214 0.000 0.627 325 G HN 0.619 nan 8.290 nan 0.000 0.522 326 K N 1.518 121.849 120.400 -0.115 0.000 2.154 326 K HA 0.524 4.844 4.320 0.001 0.000 0.264 326 K C 0.730 177.341 176.600 0.018 0.000 1.008 326 K CA 0.389 56.654 56.287 -0.037 0.000 0.937 326 K CB 0.761 33.231 32.500 -0.050 0.000 1.002 326 K HN 0.337 nan 8.250 nan 0.000 0.469 327 T N -1.828 112.736 114.554 0.015 0.000 2.907 327 T HA 0.481 4.832 4.350 0.001 0.000 0.284 327 T C -0.225 174.506 174.700 0.052 0.000 1.004 327 T CA -0.901 61.209 62.100 0.017 0.000 1.063 327 T CB 1.122 69.986 68.868 -0.007 0.000 0.992 327 T HN 0.143 nan 8.240 nan 0.000 0.483 328 V N 2.346 122.284 119.914 0.040 0.000 2.531 328 V HA 0.410 4.530 4.120 0.001 0.000 0.301 328 V C 0.021 176.122 176.094 0.013 0.000 1.034 328 V CA -0.936 61.395 62.300 0.052 0.000 0.865 328 V CB 1.571 33.442 31.823 0.080 0.000 0.995 328 V HN 1.063 nan 8.190 nan 0.000 0.424 329 E N 4.888 125.092 120.200 0.007 0.000 2.152 329 E HA 0.364 4.715 4.350 0.001 0.000 0.285 329 E C -0.780 175.817 176.600 -0.004 0.000 1.043 329 E CA -0.476 55.919 56.400 -0.009 0.000 0.839 329 E CB 0.764 30.454 29.700 -0.015 0.000 1.069 329 E HN 0.637 nan 8.360 nan 0.000 0.399 330 I N 5.687 126.251 120.570 -0.009 0.000 2.308 330 I HA 0.022 4.193 4.170 0.001 0.000 0.293 330 I C 0.997 177.108 176.117 -0.009 0.000 1.078 330 I CA -0.327 60.971 61.300 -0.004 0.000 1.292 330 I CB 0.302 38.298 38.000 -0.006 0.000 1.423 330 I HN 0.556 nan 8.210 nan 0.000 0.493 331 N N 4.348 123.044 118.700 -0.008 0.000 2.236 331 N HA 0.014 4.754 4.740 0.001 0.000 0.196 331 N C -0.077 175.427 175.510 -0.010 0.000 1.114 331 N CA 0.051 53.093 53.050 -0.012 0.000 0.859 331 N CB 0.229 38.706 38.487 -0.018 0.000 0.982 331 N HN 0.468 nan 8.380 nan 0.000 0.493 332 N N 0.337 119.034 118.700 -0.005 0.000 2.629 332 N HA 0.070 4.810 4.740 0.001 0.000 0.277 332 N C 0.220 175.731 175.510 0.002 0.000 1.188 332 N CA -0.088 52.960 53.050 -0.004 0.000 0.835 332 N CB 1.323 39.806 38.487 -0.006 0.000 1.420 332 N HN 0.093 nan 8.380 nan 0.000 0.542 333 T N -1.107 113.448 114.554 0.002 0.000 3.055 333 T HA -0.044 4.306 4.350 0.001 0.000 0.265 333 T C 0.957 175.661 174.700 0.007 0.000 1.111 333 T CA 0.802 62.906 62.100 0.006 0.000 1.118 333 T CB 0.047 68.919 68.868 0.006 0.000 0.909 333 T HN 0.259 nan 8.240 nan 0.000 0.501 334 D N 1.616 122.017 120.400 0.002 0.000 2.336 334 D HA 0.273 4.914 4.640 0.001 0.000 0.229 334 D C 0.876 177.178 176.300 0.004 0.000 1.061 334 D CA 0.068 54.068 54.000 -0.001 0.000 0.875 334 D CB -0.312 40.484 40.800 -0.007 0.000 0.904 334 D HN 0.561 nan 8.370 nan 0.000 0.525 335 A N 0.271 123.097 122.820 0.011 0.000 3.041 335 A HA 0.274 4.594 4.320 0.001 0.000 0.307 335 A C 0.961 178.564 177.584 0.033 0.000 1.116 335 A CA -0.442 51.608 52.037 0.023 0.000 1.001 335 A CB 0.076 19.089 19.000 0.021 0.000 1.112 335 A HN 0.093 nan 8.150 nan 0.000 0.556 336 E N -0.424 119.794 120.200 0.030 0.000 2.460 336 E HA 0.025 4.376 4.350 0.001 0.000 0.200 336 E C 1.926 178.553 176.600 0.045 0.000 1.011 336 E CA 0.490 56.911 56.400 0.034 0.000 0.912 336 E CB 0.366 30.081 29.700 0.026 0.000 0.953 336 E HN 0.663 nan 8.360 nan 0.000 0.494 337 G N 2.770 111.601 108.800 0.052 0.000 2.440 337 G HA2 -0.319 3.642 3.960 0.001 0.000 0.218 337 G HA3 -0.319 3.642 3.960 0.001 0.000 0.218 337 G C 1.677 176.635 174.900 0.097 0.000 1.154 337 G CA 0.856 45.999 45.100 0.072 0.000 0.767 337 G HN 0.218 nan 8.290 nan 0.000 0.552 338 R N 0.213 120.773 120.500 0.099 0.000 2.148 338 R HA 0.137 4.477 4.340 0.001 0.000 0.227 338 R C 2.289 178.635 176.300 0.077 0.000 1.103 338 R CA 0.948 57.116 56.100 0.112 0.000 0.983 338 R CB -0.647 29.719 30.300 0.110 0.000 0.874 338 R HN 0.376 nan 8.270 nan 0.000 0.451 339 L N 1.726 122.979 121.223 0.050 0.000 2.027 339 L HA -0.104 4.236 4.340 0.001 0.000 0.206 339 L C 2.813 179.685 176.870 0.003 0.000 1.074 339 L CA 1.472 56.317 54.840 0.008 0.000 0.745 339 L CB -0.596 41.474 42.059 0.018 0.000 0.898 339 L HN 0.288 nan 8.230 nan 0.000 0.433 340 I N -2.333 118.263 120.570 0.043 0.000 2.394 340 I HA -0.232 3.938 4.170 0.001 0.000 0.251 340 I C 2.264 178.429 176.117 0.080 0.000 1.136 340 I CA 1.383 62.718 61.300 0.059 0.000 1.425 340 I CB -0.286 37.758 38.000 0.073 0.000 1.079 340 I HN 0.141 nan 8.210 nan 0.000 0.425 341 L N 1.476 122.763 121.223 0.106 0.000 2.156 341 L HA -0.044 4.297 4.340 0.001 0.000 0.208 341 L C 3.102 180.041 176.870 0.115 0.000 1.095 341 L CA 1.091 56.023 54.840 0.155 0.000 0.770 341 L CB -0.681 41.506 42.059 0.213 0.000 0.914 341 L HN 0.356 nan 8.230 nan 0.000 0.439 342 A N 0.080 122.919 122.820 0.032 0.000 1.908 342 A HA -0.260 4.060 4.320 0.001 0.000 0.218 342 A C 1.901 179.437 177.584 -0.080 0.000 1.181 342 A CA 2.205 54.199 52.037 -0.073 0.000 0.627 342 A CB -0.485 18.331 19.000 -0.307 0.000 0.818 342 A HN 0.347 nan 8.150 nan 0.000 0.445 343 D N -0.594 119.760 120.400 -0.077 0.000 2.123 343 D HA -0.022 4.619 4.640 0.001 0.000 0.200 343 D C 2.155 178.462 176.300 0.013 0.000 0.976 343 D CA 1.373 55.332 54.000 -0.067 0.000 0.831 343 D CB -0.802 39.970 40.800 -0.048 0.000 0.974 343 D HN 0.401 nan 8.370 nan 0.000 0.469 344 G N 1.061 109.898 108.800 0.061 0.000 2.446 344 G HA2 -0.231 3.729 3.960 0.001 0.000 0.217 344 G HA3 -0.231 3.729 3.960 0.001 0.000 0.217 344 G C 1.830 176.895 174.900 0.274 0.000 1.168 344 G CA 1.804 47.033 45.100 0.215 0.000 0.771 344 G HN 0.354 nan 8.290 nan 0.000 0.551 345 V N -2.097 117.937 119.914 0.200 0.000 2.453 345 V HA 0.062 4.183 4.120 0.001 0.000 0.247 345 V C 2.404 178.555 176.094 0.094 0.000 1.048 345 V CA 1.701 64.092 62.300 0.151 0.000 1.049 345 V CB -0.832 31.038 31.823 0.077 0.000 0.672 345 V HN 0.194 nan 8.190 nan 0.000 0.457 346 F N 0.800 120.726 119.950 -0.040 0.000 2.134 346 F HA -0.132 4.396 4.527 0.001 0.000 0.299 346 F C 2.329 178.103 175.800 -0.044 0.000 1.097 346 F CA 2.063 60.016 58.000 -0.079 0.000 1.264 346 F CB -0.556 38.371 39.000 -0.122 0.000 1.001 346 F HN 0.247 nan 8.300 nan 0.000 0.479 347 Y N 0.586 120.858 120.300 -0.047 0.000 2.128 347 Y HA -0.228 4.323 4.550 0.001 0.000 0.284 347 Y C 2.417 178.269 175.900 -0.080 0.000 1.154 347 Y CA 1.829 59.883 58.100 -0.076 0.000 1.149 347 Y CB -0.872 37.630 38.460 0.070 0.000 0.976 347 Y HN 0.100 nan 8.280 nan 0.000 0.505 348 A N 0.292 123.214 122.820 0.170 0.000 1.883 348 A HA -0.257 4.064 4.320 0.001 0.000 0.217 348 A C 2.303 179.816 177.584 -0.117 0.000 1.186 348 A CA 2.110 54.188 52.037 0.068 0.000 0.624 348 A CB -0.800 18.297 19.000 0.161 0.000 0.822 348 A HN 0.539 nan 8.150 nan 0.000 0.444 349 K N -0.976 119.310 120.400 -0.190 0.000 1.984 349 K HA -0.153 4.168 4.320 0.001 0.000 0.209 349 K C 2.154 178.524 176.600 -0.383 0.000 1.046 349 K CA 1.570 57.697 56.287 -0.267 0.000 0.934 349 K CB -0.168 32.153 32.500 -0.299 0.000 0.717 349 K HN 0.494 nan 8.250 nan 0.000 0.438 350 E N -0.720 119.112 120.200 -0.613 0.000 2.140 350 E HA -0.055 4.296 4.350 0.001 0.000 0.191 350 E C 1.610 177.929 176.600 -0.468 0.000 0.973 350 E CA 1.069 57.099 56.400 -0.618 0.000 0.829 350 E CB 0.359 29.458 29.700 -1.001 0.000 0.781 350 E HN 0.320 nan 8.360 nan 0.000 0.466 351 T N 0.908 115.116 114.554 -0.577 0.000 2.953 351 T HA 0.118 4.469 4.350 0.001 0.000 0.247 351 T C 1.902 176.333 174.700 -0.449 0.000 1.029 351 T CA 0.228 61.977 62.100 -0.584 0.000 1.144 351 T CB 0.066 68.299 68.868 -1.058 0.000 0.870 351 T HN 0.064 nan 8.240 nan 0.000 0.446 352 L N 0.685 121.631 121.223 -0.461 0.000 2.492 352 L HA 0.146 4.487 4.340 0.001 0.000 0.223 352 L C 0.484 177.237 176.870 -0.194 0.000 1.132 352 L CA 0.272 54.909 54.840 -0.338 0.000 0.850 352 L CB -0.287 41.469 42.059 -0.504 0.000 0.966 352 L HN 0.131 nan 8.230 nan 0.000 0.454 353 K N -0.842 119.437 120.400 -0.202 0.000 3.069 353 K HA -0.178 4.143 4.320 0.001 0.000 0.267 353 K C 0.294 176.842 176.600 -0.087 0.000 1.082 353 K CA 0.874 57.065 56.287 -0.162 0.000 0.782 353 K CB -2.353 30.039 32.500 -0.179 0.000 1.230 353 K HN 0.336 nan 8.250 nan 0.000 0.488 354 A N 0.739 123.547 122.820 -0.020 0.000 2.462 354 A HA 0.369 4.690 4.320 0.001 0.000 0.243 354 A C 1.473 179.096 177.584 0.064 0.000 1.076 354 A CA 0.664 52.768 52.037 0.112 0.000 0.773 354 A CB 0.242 19.335 19.000 0.154 0.000 1.010 354 A HN 0.444 nan 8.150 nan 0.000 0.493 355 T N -1.792 112.831 114.554 0.115 0.000 3.010 355 T HA 0.254 4.604 4.350 0.001 0.000 0.257 355 T C 0.292 175.038 174.700 0.077 0.000 1.020 355 T CA 0.590 62.734 62.100 0.074 0.000 0.938 355 T CB 0.035 68.950 68.868 0.077 0.000 1.049 355 T HN 0.515 nan 8.240 nan 0.000 0.522 356 T N 2.551 117.165 114.554 0.101 0.000 2.847 356 T HA 0.651 5.001 4.350 0.001 0.000 0.291 356 T C -0.813 173.893 174.700 0.009 0.000 0.998 356 T CA -0.476 61.636 62.100 0.020 0.000 0.967 356 T CB 1.222 70.132 68.868 0.070 0.000 0.954 356 T HN 0.265 nan 8.240 nan 0.000 0.441 357 I N 3.797 124.332 120.570 -0.060 0.000 2.411 357 I HA 0.450 4.621 4.170 0.001 0.000 0.284 357 I C -1.012 175.137 176.117 0.054 0.000 1.012 357 I CA -0.775 60.589 61.300 0.107 0.000 1.119 357 I CB 1.137 39.269 38.000 0.219 0.000 1.261 357 I HN 0.496 nan 8.210 nan 0.000 0.448 358 F N 3.864 123.991 119.950 0.295 0.000 2.420 358 F HA 0.380 4.908 4.527 0.001 0.000 0.342 358 F C 0.203 176.172 175.800 0.281 0.000 1.113 358 F CA -0.745 57.424 58.000 0.281 0.000 1.059 358 F CB 1.281 40.440 39.000 0.266 0.000 1.128 358 F HN 0.466 nan 8.300 nan 0.000 0.475 359 D N 2.663 123.365 120.400 0.504 0.000 2.498 359 D HA 0.561 5.201 4.640 0.001 0.000 0.247 359 D C -0.942 175.551 176.300 0.322 0.000 1.070 359 D CA -0.748 53.505 54.000 0.421 0.000 0.842 359 D CB 2.015 43.122 40.800 0.512 0.000 1.361 359 D HN 0.560 nan 8.370 nan 0.000 0.484 360 M N 2.445 122.189 119.600 0.240 0.000 2.393 360 M HA 0.735 5.216 4.480 0.001 0.000 0.299 360 M C -2.053 174.328 176.300 0.136 0.000 1.103 360 M CA -0.445 54.960 55.300 0.176 0.000 0.910 360 M CB 1.886 34.627 32.600 0.235 0.000 1.659 360 M HN 0.816 nan 8.290 nan 0.000 0.445 361 A N 1.680 124.550 122.820 0.084 0.000 2.594 361 A HA 0.624 4.945 4.320 0.001 0.000 0.296 361 A C -0.714 176.896 177.584 0.042 0.000 1.061 361 A CA -0.632 51.459 52.037 0.089 0.000 0.689 361 A CB 1.337 20.431 19.000 0.157 0.000 1.280 361 A HN 0.775 nan 8.150 nan 0.000 0.406 362 T N 1.327 115.902 114.554 0.035 0.000 3.162 362 T HA 0.490 4.841 4.350 0.001 0.000 0.316 362 T C 0.657 175.378 174.700 0.035 0.000 1.182 362 T CA -0.195 61.911 62.100 0.011 0.000 1.015 362 T CB -0.623 68.241 68.868 -0.007 0.000 1.089 362 T HN 0.396 nan 8.240 nan 0.000 0.646 363 L N 2.573 123.832 121.223 0.060 0.000 2.194 363 L HA 0.283 4.623 4.340 0.001 0.000 0.197 363 L C 1.640 178.545 176.870 0.058 0.000 1.106 363 L CA 0.561 55.452 54.840 0.084 0.000 0.785 363 L CB -0.395 41.758 42.059 0.156 0.000 0.960 363 L HN 0.772 nan 8.230 nan 0.000 0.465 364 T N -3.539 111.050 114.554 0.059 0.000 2.908 364 T HA 0.508 4.859 4.350 0.001 0.000 0.290 364 T C 0.819 175.542 174.700 0.038 0.000 1.034 364 T CA -0.244 61.879 62.100 0.038 0.000 1.010 364 T CB 1.656 70.548 68.868 0.041 0.000 1.068 364 T HN 0.174 nan 8.240 nan 0.000 0.481 365 G N 0.068 108.883 108.800 0.025 0.000 2.484 365 G HA2 0.175 4.136 3.960 0.001 0.000 0.218 365 G HA3 0.175 4.136 3.960 0.001 0.000 0.218 365 G C 1.520 176.478 174.900 0.096 0.000 1.130 365 G CA 0.434 45.572 45.100 0.062 0.000 0.784 365 G HN 1.071 nan 8.290 nan 0.000 0.543 366 A N 0.293 123.116 122.820 0.004 0.000 2.070 366 A HA -0.068 4.252 4.320 0.001 0.000 0.220 366 A C 2.214 179.872 177.584 0.124 0.000 1.159 366 A CA 1.840 53.861 52.037 -0.026 0.000 0.656 366 A CB -0.296 18.648 19.000 -0.093 0.000 0.800 366 A HN 0.394 nan 8.150 nan 0.000 0.453 367 Q N 0.425 120.291 119.800 0.110 0.000 2.096 367 Q HA -0.201 4.140 4.340 0.001 0.000 0.204 367 Q C 2.079 178.156 176.000 0.130 0.000 0.982 367 Q CA 2.050 57.915 55.803 0.103 0.000 0.850 367 Q CB -0.520 28.256 28.738 0.064 0.000 0.901 367 Q HN 0.566 nan 8.270 nan 0.000 0.422 368 A N -0.343 122.578 122.820 0.169 0.000 2.024 368 A HA -0.160 4.160 4.320 0.001 0.000 0.220 368 A C 1.495 179.153 177.584 0.122 0.000 1.164 368 A CA 1.244 53.356 52.037 0.126 0.000 0.643 368 A CB -1.024 18.040 19.000 0.106 0.000 0.806 368 A HN 0.555 nan 8.150 nan 0.000 0.451 369 W N -1.048 120.241 121.300 -0.020 0.000 2.770 369 W HA 0.260 4.920 4.660 0.001 0.000 0.256 369 W C 1.834 178.337 176.519 -0.027 0.000 1.291 369 W CA 0.418 57.749 57.345 -0.023 0.000 1.396 369 W CB -0.321 29.126 29.460 -0.022 0.000 1.114 369 W HN 0.335 nan 8.180 nan 0.000 0.637 370 L N 0.074 121.404 121.223 0.177 0.000 2.189 370 L HA -0.016 4.324 4.340 0.001 0.000 0.199 370 L C 2.154 179.041 176.870 0.028 0.000 1.074 370 L CA 1.827 56.720 54.840 0.088 0.000 0.783 370 L CB -0.369 41.737 42.059 0.078 0.000 0.955 370 L HN -0.062 nan 8.230 nan 0.000 0.460 371 S N -1.413 114.299 115.700 0.021 0.000 2.666 371 S HA 0.469 4.939 4.470 0.001 0.000 0.239 371 S C 0.767 175.344 174.600 -0.038 0.000 1.031 371 S CA 0.126 58.308 58.200 -0.029 0.000 1.015 371 S CB 0.492 63.702 63.200 0.018 0.000 0.981 371 S HN 0.702 nan 8.310 nan 0.000 0.547 372 G N 2.509 111.295 108.800 -0.023 0.000 2.642 372 G HA2 -0.232 3.728 3.960 0.001 0.000 0.231 372 G HA3 -0.232 3.728 3.960 0.001 0.000 0.231 372 G C 0.107 175.007 174.900 -0.001 0.000 1.338 372 G CA -0.177 44.902 45.100 -0.034 0.000 0.883 372 G HN 0.390 nan 8.290 nan 0.000 0.570 373 R N -0.717 119.778 120.500 -0.008 0.000 2.312 373 R HA 0.314 4.655 4.340 0.001 0.000 0.205 373 R C 1.981 178.271 176.300 -0.017 0.000 0.904 373 R CA 0.469 56.559 56.100 -0.016 0.000 1.052 373 R CB 0.098 30.381 30.300 -0.028 0.000 1.014 373 R HN 0.283 nan 8.270 nan 0.000 0.503 374 L N -0.847 120.385 121.223 0.015 0.000 2.575 374 L HA 0.153 4.493 4.340 0.001 0.000 0.228 374 L C -0.006 176.836 176.870 -0.045 0.000 1.075 374 L CA 0.768 55.577 54.840 -0.052 0.000 0.867 374 L CB 0.118 42.042 42.059 -0.224 0.000 1.097 374 L HN 0.015 nan 8.230 nan 0.000 0.485 375 H N -0.509 118.538 119.070 -0.038 0.000 2.488 375 H HA 0.560 5.117 4.556 0.001 0.000 0.322 375 H C 0.635 175.937 175.328 -0.044 0.000 1.078 375 H CA -0.703 55.346 56.048 0.002 0.000 1.260 375 H CB 0.958 30.717 29.762 -0.005 0.000 1.425 375 H HN 0.069 nan 8.280 nan 0.000 0.471 376 G N 1.530 110.353 108.800 0.037 0.000 2.559 376 G HA2 0.367 4.328 3.960 0.001 0.000 0.235 376 G HA3 0.367 4.328 3.960 0.001 0.000 0.235 376 G C -0.374 174.557 174.900 0.052 0.000 1.266 376 G CA -0.118 44.960 45.100 -0.036 0.000 0.847 376 G HN 0.746 nan 8.290 nan 0.000 0.583 377 A N 0.941 123.770 122.820 0.015 0.000 2.258 377 A HA 0.739 5.060 4.320 0.001 0.000 0.316 377 A C 0.369 177.969 177.584 0.027 0.000 1.279 377 A CA -0.006 52.056 52.037 0.041 0.000 0.876 377 A CB 0.823 19.854 19.000 0.052 0.000 1.170 377 A HN 1.676 nan 8.150 nan 0.000 0.520 378 A N 3.465 126.313 122.820 0.048 0.000 2.276 378 A HA 0.703 5.023 4.320 0.001 0.000 0.316 378 A C -0.289 177.329 177.584 0.057 0.000 1.229 378 A CA -0.323 51.736 52.037 0.037 0.000 0.851 378 A CB 0.481 19.508 19.000 0.045 0.000 1.165 378 A HN 0.976 nan 8.150 nan 0.000 0.513 379 M N 3.375 123.007 119.600 0.053 0.000 2.181 379 M HA 0.510 4.991 4.480 0.001 0.000 0.323 379 M C -0.709 175.507 176.300 -0.140 0.000 1.004 379 M CA -0.001 55.341 55.300 0.071 0.000 0.941 379 M CB 1.670 34.385 32.600 0.192 0.000 1.579 379 M HN 0.746 nan 8.290 nan 0.000 0.427 380 T N 2.035 116.493 114.554 -0.160 0.000 2.916 380 T HA 0.334 4.684 4.350 0.001 0.000 0.305 380 T C 0.609 174.827 174.700 -0.802 0.000 1.119 380 T CA -0.753 61.103 62.100 -0.406 0.000 1.008 380 T CB 0.975 69.691 68.868 -0.253 0.000 1.129 380 T HN 0.835 nan 8.240 nan 0.000 0.480 381 N N 2.480 120.617 118.700 -0.939 0.000 2.515 381 N HA -0.025 4.716 4.740 0.001 0.000 0.185 381 N C -0.067 175.150 175.510 -0.489 0.000 1.109 381 N CA 0.292 52.648 53.050 -1.157 0.000 0.903 381 N CB 0.192 38.383 38.487 -0.493 0.000 0.969 381 N HN 0.654 nan 8.380 nan 0.000 0.450 382 D N 0.665 120.878 120.400 -0.312 0.000 2.453 382 D HA 0.049 4.690 4.640 0.001 0.000 0.238 382 D C 0.243 176.480 176.300 -0.105 0.000 1.088 382 D CA -0.290 53.620 54.000 -0.149 0.000 0.854 382 D CB 1.725 42.473 40.800 -0.087 0.000 1.076 382 D HN 0.168 nan 8.370 nan 0.000 0.533 383 E N 2.693 122.849 120.200 -0.073 0.000 2.085 383 E HA -0.240 4.111 4.350 0.001 0.000 0.194 383 E C 1.357 177.948 176.600 -0.015 0.000 0.994 383 E CA 1.406 57.785 56.400 -0.036 0.000 0.801 383 E CB 0.359 30.050 29.700 -0.015 0.000 0.743 383 E HN 0.569 nan 8.360 nan 0.000 0.453 384 Q N -0.100 119.694 119.800 -0.009 0.000 2.084 384 Q HA -0.176 4.165 4.340 0.001 0.000 0.202 384 Q C 2.324 178.334 176.000 0.017 0.000 0.978 384 Q CA 1.231 57.038 55.803 0.007 0.000 0.844 384 Q CB -0.129 28.617 28.738 0.013 0.000 0.898 384 Q HN 0.286 nan 8.270 nan 0.000 0.426 385 L N 1.228 122.461 121.223 0.016 0.000 2.131 385 L HA -0.185 4.155 4.340 0.001 0.000 0.210 385 L C 2.135 179.030 176.870 0.042 0.000 1.092 385 L CA 1.810 56.677 54.840 0.045 0.000 0.759 385 L CB -0.449 41.631 42.059 0.036 0.000 0.903 385 L HN 0.219 nan 8.230 nan 0.000 0.435 386 E N -0.735 119.470 120.200 0.008 0.000 2.031 386 E HA -0.252 4.098 4.350 0.001 0.000 0.193 386 E C 1.817 178.429 176.600 0.020 0.000 0.994 386 E CA 1.426 57.834 56.400 0.012 0.000 0.800 386 E CB -0.064 29.635 29.700 -0.002 0.000 0.752 386 E HN 0.562 nan 8.360 nan 0.000 0.447 387 N N 0.807 119.516 118.700 0.015 0.000 2.104 387 N HA -0.179 4.562 4.740 0.001 0.000 0.190 387 N C 1.689 177.205 175.510 0.010 0.000 1.024 387 N CA 1.389 54.447 53.050 0.014 0.000 0.853 387 N CB -0.304 38.189 38.487 0.011 0.000 1.008 387 N HN 0.339 nan 8.380 nan 0.000 0.424 388 E N 0.706 120.916 120.200 0.016 0.000 2.085 388 E HA -0.110 4.241 4.350 0.001 0.000 0.194 388 E C 1.997 178.594 176.600 -0.005 0.000 0.994 388 E CA 0.617 57.024 56.400 0.012 0.000 0.801 388 E CB -0.083 29.640 29.700 0.040 0.000 0.743 388 E HN 0.307 nan 8.360 nan 0.000 0.453 389 I N 0.580 121.155 120.570 0.008 0.000 2.439 389 I HA -0.200 3.971 4.170 0.001 0.000 0.251 389 I C 1.938 178.030 176.117 -0.042 0.000 1.139 389 I CA 0.703 61.981 61.300 -0.037 0.000 1.438 389 I CB 0.156 38.153 38.000 -0.005 0.000 1.085 389 I HN 0.097 nan 8.210 nan 0.000 0.427 390 I N 0.836 121.403 120.570 -0.005 0.000 2.179 390 I HA -0.336 3.834 4.170 0.001 0.000 0.242 390 I C 2.523 178.635 176.117 -0.009 0.000 1.088 390 I CA 1.433 62.739 61.300 0.010 0.000 1.357 390 I CB -0.435 37.583 38.000 0.030 0.000 1.051 390 I HN 0.179 nan 8.210 nan 0.000 0.409 391 K N 1.449 121.838 120.400 -0.018 0.000 2.032 391 K HA -0.220 4.100 4.320 0.001 0.000 0.209 391 K C 2.204 178.770 176.600 -0.058 0.000 1.048 391 K CA 1.661 57.929 56.287 -0.030 0.000 0.927 391 K CB -0.170 32.312 32.500 -0.029 0.000 0.712 391 K HN 0.289 nan 8.250 nan 0.000 0.441 392 A N 0.810 123.581 122.820 -0.082 0.000 1.940 392 A HA -0.088 4.232 4.320 0.001 0.000 0.219 392 A C 2.373 179.873 177.584 -0.140 0.000 1.176 392 A CA 1.933 53.894 52.037 -0.126 0.000 0.631 392 A CB -1.260 17.637 19.000 -0.172 0.000 0.814 392 A HN 0.588 nan 8.150 nan 0.000 0.446 393 G N -0.319 108.410 108.800 -0.119 0.000 2.418 393 G HA2 -0.240 3.720 3.960 0.001 0.000 0.217 393 G HA3 -0.240 3.720 3.960 0.001 0.000 0.217 393 G C 1.686 176.541 174.900 -0.074 0.000 1.158 393 G CA 1.116 46.152 45.100 -0.106 0.000 0.771 393 G HN 0.585 nan 8.290 nan 0.000 0.545 394 K N 0.521 120.894 120.400 -0.045 0.000 2.057 394 K HA 0.079 4.399 4.320 0.001 0.000 0.206 394 K C 2.919 179.496 176.600 -0.039 0.000 1.050 394 K CA 0.961 57.234 56.287 -0.023 0.000 0.935 394 K CB -0.193 32.304 32.500 -0.005 0.000 0.715 394 K HN 0.268 nan 8.250 nan 0.000 0.439 395 A N 1.304 124.084 122.820 -0.066 0.000 1.969 395 A HA -0.134 4.186 4.320 0.001 0.000 0.218 395 A C 2.126 179.653 177.584 -0.095 0.000 1.169 395 A CA 1.969 53.955 52.037 -0.085 0.000 0.635 395 A CB -0.360 18.578 19.000 -0.103 0.000 0.810 395 A HN 0.381 nan 8.150 nan 0.000 0.445 396 S N -2.742 112.893 115.700 -0.108 0.000 2.486 396 S HA 0.383 4.853 4.470 0.001 0.000 0.220 396 S C 1.584 176.109 174.600 -0.124 0.000 1.011 396 S CA 1.147 59.273 58.200 -0.123 0.000 0.921 396 S CB -0.044 63.053 63.200 -0.172 0.000 0.785 396 S HN 1.837 nan 8.310 nan 0.000 0.517 397 G N 1.245 109.984 108.800 -0.101 0.000 2.205 397 G HA2 -0.214 3.747 3.960 0.001 0.000 0.261 397 G HA3 -0.214 3.747 3.960 0.001 0.000 0.261 397 G C -0.370 174.457 174.900 -0.122 0.000 0.980 397 G CA 0.243 45.277 45.100 -0.109 0.000 0.632 397 G HN 0.542 nan 8.290 nan 0.000 0.533 398 D N 1.400 121.680 120.400 -0.199 0.000 2.522 398 D HA 0.457 5.097 4.640 0.001 0.000 0.218 398 D C 1.193 177.436 176.300 -0.096 0.000 1.149 398 D CA -0.156 53.646 54.000 -0.330 0.000 0.981 398 D CB 0.058 40.358 40.800 -0.834 0.000 1.041 398 D HN 0.414 nan 8.370 nan 0.000 0.518 399 L N 1.009 122.270 121.223 0.062 0.000 2.483 399 L HA 0.214 4.555 4.340 0.001 0.000 0.276 399 L C 0.156 177.052 176.870 0.043 0.000 1.213 399 L CA -0.056 54.722 54.840 -0.104 0.000 0.843 399 L CB 0.644 42.339 42.059 -0.607 0.000 1.107 399 L HN -0.038 nan 8.230 nan 0.000 0.487 400 V N 1.876 121.836 119.914 0.077 0.000 2.686 400 V HA 0.730 4.850 4.120 0.001 0.000 0.306 400 V C -0.184 176.045 176.094 0.226 0.000 1.065 400 V CA -0.592 61.800 62.300 0.153 0.000 0.894 400 V CB 1.699 33.567 31.823 0.074 0.000 1.004 400 V HN 0.876 nan 8.190 nan 0.000 0.424 401 A N 6.435 129.374 122.820 0.199 0.000 2.380 401 A HA 1.047 5.368 4.320 0.001 0.000 0.315 401 A C -2.937 174.689 177.584 0.070 0.000 1.101 401 A CA -1.923 50.180 52.037 0.111 0.000 0.771 401 A CB 2.040 21.042 19.000 0.003 0.000 1.287 401 A HN 0.576 nan 8.150 nan 0.000 0.436 402 P HA 0.411 nan 4.420 nan 0.000 0.282 402 P C -0.742 176.599 177.300 0.069 0.000 1.249 402 P CA -0.127 63.008 63.100 0.059 0.000 0.806 402 P CB 0.917 32.649 31.700 0.053 0.000 0.984 403 M N 1.934 121.590 119.600 0.094 0.000 2.423 403 M HA 0.332 4.812 4.480 0.001 0.000 0.335 403 M C 0.407 176.804 176.300 0.161 0.000 1.177 403 M CA -1.117 54.255 55.300 0.121 0.000 1.038 403 M CB 1.196 33.882 32.600 0.144 0.000 1.641 403 M HN 0.198 nan 8.290 nan 0.000 0.455 404 L N 2.102 123.436 121.223 0.184 0.000 2.578 404 L HA -0.043 4.298 4.340 0.001 0.000 0.279 404 L C -0.558 176.491 176.870 0.299 0.000 1.227 404 L CA 0.468 55.455 54.840 0.245 0.000 0.900 404 L CB -0.165 42.093 42.059 0.333 0.000 1.144 404 L HN 0.495 nan 8.230 nan 0.000 0.496 405 F N 4.231 124.238 119.950 0.094 0.000 2.308 405 F HA 0.563 5.090 4.527 0.001 0.000 0.370 405 F C 0.094 175.870 175.800 -0.039 0.000 1.100 405 F CA -0.530 57.503 58.000 0.056 0.000 1.108 405 F CB 0.828 39.846 39.000 0.030 0.000 1.293 405 F HN 0.402 nan 8.300 nan 0.000 0.478 406 A N 7.617 130.128 122.820 -0.513 0.000 3.156 406 A HA 0.432 4.752 4.320 0.001 0.000 0.311 406 A C -2.440 174.692 177.584 -0.754 0.000 1.129 406 A CA -0.970 50.661 52.037 -0.676 0.000 0.809 406 A CB 0.130 18.629 19.000 -0.836 0.000 1.257 406 A HN 0.493 nan 8.150 nan 0.000 0.491 407 P HA -0.172 nan 4.420 nan 0.000 0.216 407 P C 1.084 178.089 177.300 -0.492 0.000 1.150 407 P CA 1.821 64.403 63.100 -0.863 0.000 0.837 407 P CB 0.205 30.920 31.700 -1.642 0.000 0.786 408 D N -0.077 120.071 120.400 -0.421 0.000 2.123 408 D HA -0.174 4.467 4.640 0.001 0.000 0.196 408 D C 1.889 178.059 176.300 -0.217 0.000 0.992 408 D CA 1.360 55.216 54.000 -0.241 0.000 0.833 408 D CB -1.321 39.368 40.800 -0.185 0.000 0.954 408 D HN 0.208 nan 8.370 nan 0.000 0.455 409 L N -1.622 119.369 121.223 -0.387 0.000 2.179 409 L HA 0.013 4.354 4.340 0.001 0.000 0.208 409 L C 1.760 178.565 176.870 -0.107 0.000 1.096 409 L CA 0.699 55.313 54.840 -0.376 0.000 0.779 409 L CB -0.175 41.431 42.059 -0.755 0.000 0.922 409 L HN -0.057 nan 8.230 nan 0.000 0.443 410 F N -2.470 117.438 119.950 -0.070 0.000 2.712 410 F HA 0.090 4.618 4.527 0.001 0.000 0.297 410 F C 1.857 177.663 175.800 0.010 0.000 1.114 410 F CA -0.864 57.112 58.000 -0.039 0.000 1.305 410 F CB -0.792 38.180 39.000 -0.046 0.000 1.086 410 F HN -0.116 nan 8.300 nan 0.000 0.599 411 F N 1.613 121.568 119.950 0.008 0.000 2.365 411 F HA 0.101 4.629 4.527 0.001 0.000 0.300 411 F C 2.207 178.033 175.800 0.044 0.000 1.090 411 F CA 1.140 59.153 58.000 0.021 0.000 1.408 411 F CB -0.746 38.238 39.000 -0.027 0.000 1.060 411 F HN -0.004 nan 8.300 nan 0.000 0.534 412 G N -0.135 108.628 108.800 -0.061 0.000 2.479 412 G HA2 -0.272 3.688 3.960 0.001 0.000 0.220 412 G HA3 -0.272 3.688 3.960 0.001 0.000 0.220 412 G C 1.329 176.142 174.900 -0.144 0.000 1.115 412 G CA 0.946 45.965 45.100 -0.136 0.000 0.757 412 G HN 0.310 nan 8.290 nan 0.000 0.560 413 D N 0.389 120.739 120.400 -0.084 0.000 2.265 413 D HA -0.057 4.583 4.640 0.001 0.000 0.208 413 D C 2.002 178.223 176.300 -0.132 0.000 0.977 413 D CA 0.619 54.572 54.000 -0.077 0.000 0.871 413 D CB -0.002 40.780 40.800 -0.031 0.000 0.925 413 D HN 0.356 nan 8.370 nan 0.000 0.485 414 L N 0.052 121.122 121.223 -0.254 0.000 2.818 414 L HA 0.151 4.492 4.340 0.001 0.000 0.243 414 L C 0.838 177.509 176.870 -0.331 0.000 1.185 414 L CA -0.376 54.299 54.840 -0.275 0.000 0.988 414 L CB 0.151 42.041 42.059 -0.281 0.000 1.292 414 L HN -0.234 nan 8.230 nan 0.000 0.519 415 K N 1.268 121.491 120.400 -0.294 0.000 2.489 415 K HA 0.077 4.397 4.320 0.001 0.000 0.278 415 K C 0.092 176.613 176.600 -0.133 0.000 1.000 415 K CA 0.272 56.428 56.287 -0.217 0.000 1.012 415 K CB 0.668 33.079 32.500 -0.149 0.000 0.903 415 K HN 0.049 nan 8.250 nan 0.000 0.485 416 S N 1.390 117.030 115.700 -0.101 0.000 2.526 416 S HA 0.179 4.650 4.470 0.001 0.000 0.293 416 S C 0.807 175.380 174.600 -0.045 0.000 1.092 416 S CA -0.404 57.759 58.200 -0.062 0.000 0.980 416 S CB 1.576 64.747 63.200 -0.047 0.000 1.048 416 S HN 0.690 nan 8.310 nan 0.000 0.483 417 S N 3.856 119.534 115.700 -0.036 0.000 2.414 417 S HA -0.012 4.459 4.470 0.001 0.000 0.227 417 S C 1.622 176.209 174.600 -0.022 0.000 1.022 417 S CA 0.826 59.009 58.200 -0.027 0.000 0.958 417 S CB -0.642 62.543 63.200 -0.025 0.000 0.797 417 S HN 0.859 nan 8.310 nan 0.000 0.493 418 I N -1.700 118.856 120.570 -0.022 0.000 4.070 418 I HA 0.601 4.771 4.170 0.001 0.000 0.328 418 I C 0.706 176.813 176.117 -0.018 0.000 1.298 418 I CA -0.307 60.981 61.300 -0.019 0.000 1.173 418 I CB -0.090 37.898 38.000 -0.019 0.000 1.051 418 I HN 0.366 nan 8.210 nan 0.000 0.409 419 A N 1.057 123.867 122.820 -0.017 0.000 2.483 419 A HA 0.479 4.800 4.320 0.001 0.000 0.286 419 A C 0.003 177.583 177.584 -0.006 0.000 1.207 419 A CA -0.352 51.679 52.037 -0.011 0.000 0.764 419 A CB 1.057 20.052 19.000 -0.008 0.000 1.341 419 A HN 0.052 nan 8.150 nan 0.000 0.428 420 D N 0.016 120.419 120.400 0.006 0.000 2.218 420 D HA 0.011 4.652 4.640 0.001 0.000 0.204 420 D C 0.714 177.035 176.300 0.035 0.000 0.976 420 D CA 2.193 56.205 54.000 0.019 0.000 0.853 420 D CB -0.119 40.687 40.800 0.010 0.000 0.939 420 D HN 0.627 nan 8.370 nan 0.000 0.481 421 M N -2.432 117.183 119.600 0.024 0.000 2.790 421 M HA 0.354 4.835 4.480 0.001 0.000 0.272 421 M C -1.616 174.681 176.300 -0.006 0.000 1.168 421 M CA -0.958 54.335 55.300 -0.012 0.000 0.829 421 M CB 2.491 35.137 32.600 0.078 0.000 1.675 421 M HN -0.465 nan 8.290 nan 0.000 0.505 422 K N 1.279 121.655 120.400 -0.040 0.000 2.090 422 K HA 0.326 4.647 4.320 0.001 0.000 0.249 422 K C 0.736 177.348 176.600 0.022 0.000 0.995 422 K CA -0.424 55.854 56.287 -0.015 0.000 0.914 422 K CB 0.886 33.362 32.500 -0.039 0.000 1.057 422 K HN 0.796 nan 8.250 nan 0.000 0.462 423 N N -0.109 118.609 118.700 0.031 0.000 2.446 423 N HA -0.070 4.670 4.740 0.001 0.000 0.179 423 N C 0.072 175.608 175.510 0.042 0.000 1.054 423 N CA 0.393 53.476 53.050 0.054 0.000 0.905 423 N CB 0.482 38.998 38.487 0.048 0.000 0.973 423 N HN 0.278 nan 8.380 nan 0.000 0.448 424 S N -0.688 115.020 115.700 0.014 0.000 2.625 424 S HA 0.342 4.813 4.470 0.001 0.000 0.271 424 S C -2.158 172.429 174.600 -0.021 0.000 1.161 424 S CA -0.887 57.314 58.200 0.002 0.000 0.820 424 S CB 1.348 64.547 63.200 -0.001 0.000 1.137 424 S HN 0.269 nan 8.310 nan 0.000 0.470 425 N N 2.202 120.884 118.700 -0.030 0.000 2.354 425 N HA 0.410 5.150 4.740 0.001 0.000 0.287 425 N C -0.138 175.345 175.510 -0.045 0.000 1.016 425 N CA -0.391 52.633 53.050 -0.043 0.000 0.871 425 N CB 1.354 39.810 38.487 -0.052 0.000 1.299 425 N HN 0.671 nan 8.380 nan 0.000 0.482 426 L N 1.837 123.035 121.223 -0.043 0.000 2.592 426 L HA 0.327 4.667 4.340 0.001 0.000 0.227 426 L C 1.417 178.257 176.870 -0.049 0.000 1.127 426 L CA 0.034 54.848 54.840 -0.043 0.000 0.884 426 L CB 0.203 42.241 42.059 -0.035 0.000 1.065 426 L HN 0.546 nan 8.230 nan 0.000 0.457 427 G N -0.632 108.138 108.800 -0.051 0.000 3.356 427 G HA2 0.268 4.229 3.960 0.001 0.000 0.178 427 G HA3 0.268 4.229 3.960 0.001 0.000 0.178 427 G C -0.886 173.978 174.900 -0.060 0.000 1.175 427 G CA -0.390 44.679 45.100 -0.052 0.000 0.840 427 G HN -0.158 nan 8.290 nan 0.000 0.658 428 K N 0.909 121.277 120.400 -0.054 0.000 2.234 428 K HA 0.553 4.873 4.320 0.001 0.000 0.282 428 K C 0.163 176.730 176.600 -0.056 0.000 1.039 428 K CA 0.050 56.303 56.287 -0.057 0.000 0.928 428 K CB 1.115 33.589 32.500 -0.044 0.000 1.039 428 K HN 0.537 nan 8.250 nan 0.000 0.470 429 M N 0.271 119.830 119.600 -0.070 0.000 2.619 429 M HA 0.479 4.959 4.480 0.001 0.000 0.297 429 M C -0.667 175.584 176.300 -0.082 0.000 1.229 429 M CA -0.701 54.557 55.300 -0.071 0.000 0.860 429 M CB 1.929 34.477 32.600 -0.087 0.000 1.741 429 M HN 0.238 nan 8.290 nan 0.000 0.462 430 D N 1.394 121.762 120.400 -0.054 0.000 2.194 430 D HA 0.154 4.795 4.640 0.001 0.000 0.204 430 D C 0.961 177.104 176.300 -0.261 0.000 0.964 430 D CA 1.006 54.991 54.000 -0.024 0.000 0.846 430 D CB 0.116 41.001 40.800 0.141 0.000 0.962 430 D HN 0.818 nan 8.370 nan 0.000 0.490 431 G N 0.866 109.349 108.800 -0.528 0.000 2.504 431 G HA2 0.419 4.380 3.960 0.001 0.000 0.288 431 G HA3 0.419 4.380 3.960 0.001 0.000 0.288 431 G C -2.578 171.924 174.900 -0.664 0.000 1.182 431 G CA -1.024 43.273 45.100 -1.337 0.000 0.894 431 G HN -0.105 nan 8.290 nan 0.000 0.521 432 P HA 0.156 nan 4.420 nan 0.000 0.267 432 P C -2.023 175.164 177.300 -0.188 0.000 1.205 432 P CA -1.185 61.756 63.100 -0.265 0.000 0.765 432 P CB 0.905 32.511 31.700 -0.156 0.000 0.828 433 P HA -0.219 nan 4.420 nan 0.000 0.216 433 P C 1.627 178.913 177.300 -0.024 0.000 1.150 433 P CA 1.860 64.907 63.100 -0.088 0.000 0.843 433 P CB -0.220 31.418 31.700 -0.103 0.000 0.787 434 S N -0.827 114.876 115.700 0.005 0.000 2.402 434 S HA -0.081 4.390 4.470 0.001 0.000 0.229 434 S C 2.077 176.749 174.600 0.119 0.000 1.021 434 S CA 1.051 59.299 58.200 0.080 0.000 0.974 434 S CB -1.343 61.915 63.200 0.095 0.000 0.800 434 S HN 0.110 nan 8.310 nan 0.000 0.484 435 A N 1.671 124.534 122.820 0.071 0.000 1.873 435 A HA 0.081 4.401 4.320 0.001 0.000 0.215 435 A C 2.420 180.071 177.584 0.112 0.000 1.186 435 A CA 1.625 53.727 52.037 0.108 0.000 0.616 435 A CB -1.180 17.865 19.000 0.074 0.000 0.823 435 A HN 0.455 nan 8.150 nan 0.000 0.442 436 V N 0.003 119.945 119.914 0.047 0.000 2.343 436 V HA -0.269 3.852 4.120 0.001 0.000 0.247 436 V C 3.046 179.209 176.094 0.116 0.000 1.051 436 V CA 1.917 64.268 62.300 0.085 0.000 1.036 436 V CB -1.296 30.534 31.823 0.011 0.000 0.654 436 V HN 0.624 nan 8.190 nan 0.000 0.451 437 A N 0.658 123.529 122.820 0.086 0.000 1.883 437 A HA -0.133 4.187 4.320 0.001 0.000 0.217 437 A C 2.464 180.076 177.584 0.047 0.000 1.186 437 A CA 2.062 54.151 52.037 0.088 0.000 0.624 437 A CB -1.351 17.711 19.000 0.103 0.000 0.822 437 A HN 0.529 nan 8.150 nan 0.000 0.444 438 G N -0.242 108.524 108.800 -0.056 0.000 2.442 438 G HA2 -0.198 3.763 3.960 0.001 0.000 0.219 438 G HA3 -0.198 3.763 3.960 0.001 0.000 0.219 438 G C 1.530 176.557 174.900 0.211 0.000 1.141 438 G CA 1.117 46.027 45.100 -0.316 0.000 0.763 438 G HN 0.451 nan 8.290 nan 0.000 0.554 439 L N 0.188 121.591 121.223 0.300 0.000 2.141 439 L HA 0.035 4.376 4.340 0.001 0.000 0.209 439 L C 2.695 179.820 176.870 0.425 0.000 1.094 439 L CA 0.067 55.184 54.840 0.461 0.000 0.763 439 L CB -0.371 41.939 42.059 0.418 0.000 0.908 439 L HN 0.164 nan 8.230 nan 0.000 0.437 440 L N 0.648 122.067 121.223 0.326 0.000 2.013 440 L HA -0.264 4.076 4.340 0.001 0.000 0.212 440 L C 2.461 179.475 176.870 0.240 0.000 1.073 440 L CA 2.196 57.213 54.840 0.295 0.000 0.753 440 L CB -0.492 41.696 42.059 0.214 0.000 0.890 440 L HN 0.213 nan 8.230 nan 0.000 0.432 441 I N 0.100 120.779 120.570 0.181 0.000 2.142 441 I HA -0.227 3.943 4.170 0.001 0.000 0.240 441 I C 2.679 178.737 176.117 -0.099 0.000 1.078 441 I CA 1.410 62.782 61.300 0.120 0.000 1.343 441 I CB -0.953 37.167 38.000 0.201 0.000 1.046 441 I HN 0.356 nan 8.210 nan 0.000 0.405 442 G N 0.319 108.966 108.800 -0.255 0.000 2.448 442 G HA2 -0.218 3.743 3.960 0.001 0.000 0.219 442 G HA3 -0.218 3.743 3.960 0.001 0.000 0.219 442 G C 1.803 176.162 174.900 -0.903 0.000 1.127 442 G CA 0.710 45.280 45.100 -0.882 0.000 0.766 442 G HN 0.504 nan 8.290 nan 0.000 0.552 443 A N 0.014 122.343 122.820 -0.819 0.000 2.131 443 A HA -0.088 4.233 4.320 0.001 0.000 0.220 443 A C 1.929 178.930 177.584 -0.973 0.000 1.158 443 A CA 1.324 52.590 52.037 -1.284 0.000 0.665 443 A CB -0.525 17.999 19.000 -0.793 0.000 0.795 443 A HN 0.545 nan 8.150 nan 0.000 0.460 444 H N -1.131 117.650 119.070 -0.482 0.000 2.575 444 H HA 0.206 4.762 4.556 0.001 0.000 0.267 444 H C 0.858 176.067 175.328 -0.198 0.000 0.966 444 H CA 1.062 56.923 56.048 -0.312 0.000 1.165 444 H CB 0.246 29.870 29.762 -0.229 0.000 1.433 444 H HN 0.718 nan 8.280 nan 0.000 0.544 445 I N -3.796 116.604 120.570 -0.284 0.000 3.491 445 I HA 0.445 4.615 4.170 0.001 0.000 0.332 445 I C 0.942 176.867 176.117 -0.320 0.000 1.565 445 I CA -0.418 60.747 61.300 -0.225 0.000 1.050 445 I CB 0.647 38.497 38.000 -0.249 0.000 1.348 445 I HN -0.028 nan 8.210 nan 0.000 0.506 446 G N 1.458 109.978 108.800 -0.466 0.000 2.283 446 G HA2 -0.332 3.629 3.960 0.001 0.000 0.280 446 G HA3 -0.332 3.629 3.960 0.001 0.000 0.280 446 G C 0.227 174.998 174.900 -0.216 0.000 1.029 446 G CA 0.328 45.196 45.100 -0.387 0.000 0.840 446 G HN 0.608 nan 8.290 nan 0.000 0.505 447 F N -2.361 117.495 119.950 -0.157 0.000 3.100 447 F HA -0.180 4.347 4.527 0.001 0.000 0.284 447 F C 1.985 177.973 175.800 0.313 0.000 0.875 447 F CA 2.029 60.066 58.000 0.062 0.000 1.039 447 F CB -1.606 37.509 39.000 0.191 0.000 1.111 447 F HN 1.790 nan 8.300 nan 0.000 0.575 448 G N -0.702 108.196 108.800 0.165 0.000 2.175 448 G HA2 -0.314 3.646 3.960 0.001 0.000 0.244 448 G HA3 -0.314 3.646 3.960 0.001 0.000 0.244 448 G C 0.117 175.108 174.900 0.151 0.000 0.982 448 G CA 0.019 45.264 45.100 0.242 0.000 0.641 448 G HN 0.764 nan 8.290 nan 0.000 0.527 449 E N 0.356 120.629 120.200 0.122 0.000 2.558 449 E HA 0.350 4.701 4.350 0.001 0.000 0.255 449 E C 1.593 178.219 176.600 0.044 0.000 0.968 449 E CA 1.152 57.607 56.400 0.091 0.000 0.939 449 E CB -0.320 29.423 29.700 0.073 0.000 0.921 449 E HN 1.606 nan 8.360 nan 0.000 0.477 450 G N 3.039 111.864 108.800 0.042 0.000 2.179 450 G HA2 -0.267 3.694 3.960 0.001 0.000 0.260 450 G HA3 -0.267 3.694 3.960 0.001 0.000 0.260 450 G C -0.134 174.779 174.900 0.021 0.000 0.977 450 G CA 0.695 45.808 45.100 0.021 0.000 0.641 450 G HN 0.660 nan 8.290 nan 0.000 0.533 451 L N -4.404 116.841 121.223 0.037 0.000 2.485 451 L HA 0.951 5.292 4.340 0.001 0.000 0.245 451 L C -0.188 176.714 176.870 0.052 0.000 1.137 451 L CA -1.959 52.904 54.840 0.039 0.000 0.954 451 L CB 0.511 42.589 42.059 0.032 0.000 1.560 451 L HN 0.006 nan 8.230 nan 0.000 0.403 452 R N -0.054 120.472 120.500 0.044 0.000 2.343 452 R HA 0.518 4.859 4.340 0.001 0.000 0.320 452 R C -1.951 174.384 176.300 0.058 0.000 0.956 452 R CA -0.212 55.899 56.100 0.018 0.000 0.836 452 R CB 1.699 31.980 30.300 -0.033 0.000 1.151 452 R HN 0.768 nan 8.270 nan 0.000 0.450 453 W N 5.796 127.032 121.300 -0.107 0.000 2.600 453 W HA 0.514 5.175 4.660 0.001 0.000 0.325 453 W C -2.018 174.476 176.519 -0.041 0.000 1.034 453 W CA -1.092 56.214 57.345 -0.066 0.000 1.226 453 W CB 0.963 30.445 29.460 0.038 0.000 1.379 453 W HN 0.462 nan 8.180 nan 0.000 0.466 454 L N 6.696 127.617 121.223 -0.504 0.000 2.409 454 L HA 0.440 4.781 4.340 0.001 0.000 0.272 454 L C -1.380 175.299 176.870 -0.319 0.000 0.980 454 L CA -0.901 53.657 54.840 -0.469 0.000 0.826 454 L CB 1.525 43.535 42.059 -0.081 0.000 1.268 454 L HN 0.635 nan 8.230 nan 0.000 0.407 455 H N 4.740 123.508 119.070 -0.503 0.000 2.459 455 H HA 0.631 5.188 4.556 0.001 0.000 0.332 455 H C -1.705 173.648 175.328 0.041 0.000 1.094 455 H CA -0.469 55.517 56.048 -0.105 0.000 1.224 455 H CB 1.760 31.465 29.762 -0.095 0.000 1.449 455 H HN 0.549 nan 8.280 nan 0.000 0.484 456 L N 5.232 126.224 121.223 -0.386 0.000 2.372 456 L HA 0.318 4.659 4.340 0.001 0.000 0.273 456 L C -1.342 175.342 176.870 -0.310 0.000 0.989 456 L CA -0.531 54.179 54.840 -0.217 0.000 0.841 456 L CB 1.423 43.530 42.059 0.079 0.000 1.225 456 L HN 0.750 nan 8.230 nan 0.000 0.414 457 D N 4.996 125.232 120.400 -0.274 0.000 2.317 457 D HA 0.306 4.947 4.640 0.001 0.000 0.234 457 D C 0.531 176.764 176.300 -0.111 0.000 1.112 457 D CA -0.139 53.775 54.000 -0.143 0.000 0.840 457 D CB 0.962 41.750 40.800 -0.019 0.000 1.078 457 D HN 0.612 nan 8.370 nan 0.000 0.486 458 I N 1.001 121.494 120.570 -0.128 0.000 3.833 458 I HA 0.402 4.573 4.170 0.001 0.000 0.328 458 I C 1.518 177.524 176.117 -0.184 0.000 1.554 458 I CA -0.641 60.503 61.300 -0.260 0.000 1.116 458 I CB 0.653 38.414 38.000 -0.398 0.000 1.182 458 I HN 0.223 nan 8.210 nan 0.000 0.459 459 A N 2.022 124.790 122.820 -0.087 0.000 1.909 459 A HA -0.256 4.064 4.320 0.001 0.000 0.221 459 A C 2.520 180.069 177.584 -0.058 0.000 1.223 459 A CA 3.005 55.014 52.037 -0.047 0.000 0.658 459 A CB -0.852 18.145 19.000 -0.006 0.000 0.831 459 A HN 0.677 nan 8.150 nan 0.000 0.462 460 A N -0.998 121.785 122.820 -0.061 0.000 1.878 460 A HA 0.135 4.455 4.320 0.001 0.000 0.213 460 A C 0.207 177.737 177.584 -0.090 0.000 1.192 460 A CA 1.161 53.167 52.037 -0.052 0.000 0.619 460 A CB -1.108 17.879 19.000 -0.021 0.000 0.837 460 A HN 0.504 nan 8.150 nan 0.000 0.446 461 P HA -0.028 nan 4.420 nan 0.000 0.230 461 P C 1.176 178.370 177.300 -0.177 0.000 1.158 461 P CA 1.455 64.439 63.100 -0.193 0.000 0.769 461 P CB -0.117 31.375 31.700 -0.347 0.000 0.807 462 A N 0.294 123.001 122.820 -0.188 0.000 2.216 462 A HA -0.080 4.240 4.320 0.001 0.000 0.214 462 A C 0.914 178.485 177.584 -0.022 0.000 1.160 462 A CA 0.627 52.621 52.037 -0.072 0.000 0.725 462 A CB -0.712 18.249 19.000 -0.065 0.000 0.784 462 A HN 0.445 nan 8.150 nan 0.000 0.472 463 E N -2.011 118.169 120.200 -0.033 0.000 2.366 463 E HA 0.613 4.964 4.350 0.001 0.000 0.278 463 E C -1.736 174.858 176.600 -0.011 0.000 0.923 463 E CA -0.950 55.444 56.400 -0.009 0.000 0.761 463 E CB 1.821 31.522 29.700 0.002 0.000 1.231 463 E HN -0.109 nan 8.360 nan 0.000 0.443 464 V N 2.102 122.027 119.914 0.019 0.000 2.525 464 V HA 0.586 4.706 4.120 0.001 0.000 0.299 464 V C 0.871 177.017 176.094 0.087 0.000 1.034 464 V CA 0.362 62.694 62.300 0.053 0.000 0.863 464 V CB 0.715 32.591 31.823 0.088 0.000 0.999 464 V HN 1.130 nan 8.190 nan 0.000 0.423 465 G N 5.320 114.158 108.800 0.063 0.000 2.622 465 G HA2 -0.306 3.654 3.960 0.001 0.000 0.307 465 G HA3 -0.306 3.654 3.960 0.001 0.000 0.307 465 G C 0.320 175.252 174.900 0.054 0.000 1.226 465 G CA 0.771 45.904 45.100 0.056 0.000 0.997 465 G HN 1.083 nan 8.290 nan 0.000 0.551 466 D N 0.701 121.136 120.400 0.059 0.000 2.388 466 D HA 0.321 4.962 4.640 0.001 0.000 0.221 466 D C 0.844 177.187 176.300 0.072 0.000 1.133 466 D CA 0.059 54.094 54.000 0.059 0.000 0.831 466 D CB 0.212 41.046 40.800 0.056 0.000 0.962 466 D HN 0.392 nan 8.370 nan 0.000 0.502 467 R N 0.357 120.907 120.500 0.083 0.000 2.621 467 R HA 0.614 4.954 4.340 0.001 0.000 0.292 467 R C 0.364 176.714 176.300 0.082 0.000 0.969 467 R CA -0.812 55.346 56.100 0.097 0.000 0.887 467 R CB 1.828 32.206 30.300 0.130 0.000 1.180 467 R HN 0.126 nan 8.270 nan 0.000 0.450 468 G N 0.392 109.233 108.800 0.069 0.000 2.432 468 G HA2 0.048 4.009 3.960 0.001 0.000 0.239 468 G HA3 0.048 4.009 3.960 0.001 0.000 0.239 468 G C 0.979 175.914 174.900 0.059 0.000 1.291 468 G CA -0.010 45.121 45.100 0.052 0.000 0.863 468 G HN 0.638 nan 8.290 nan 0.000 0.560 469 T N -0.999 113.570 114.554 0.025 0.000 3.067 469 T HA 0.259 4.610 4.350 0.001 0.000 0.261 469 T C 1.881 176.597 174.700 0.026 0.000 1.110 469 T CA 0.911 62.998 62.100 -0.021 0.000 1.113 469 T CB 0.081 68.899 68.868 -0.082 0.000 0.917 469 T HN 2.013 nan 8.240 nan 0.000 0.499 470 G N 0.968 109.805 108.800 0.061 0.000 2.198 470 G HA2 -0.305 3.655 3.960 0.001 0.000 0.257 470 G HA3 -0.305 3.655 3.960 0.001 0.000 0.257 470 G C -0.149 174.799 174.900 0.080 0.000 1.042 470 G CA 0.056 45.195 45.100 0.064 0.000 0.791 470 G HN 0.809 nan 8.290 nan 0.000 0.502 471 Y N 0.282 120.570 120.300 -0.020 0.000 2.610 471 Y HA 0.347 4.897 4.550 0.001 0.000 0.332 471 Y C 1.558 177.475 175.900 0.029 0.000 1.201 471 Y CA 1.895 59.987 58.100 -0.013 0.000 1.465 471 Y CB 0.668 39.119 38.460 -0.016 0.000 1.283 471 Y HN 0.982 nan 8.280 nan 0.000 0.563 472 G N 4.202 112.897 108.800 -0.174 0.000 3.426 472 G HA2 -0.233 3.727 3.960 0.001 0.000 0.196 472 G HA3 -0.233 3.727 3.960 0.001 0.000 0.196 472 G C -1.425 173.518 174.900 0.073 0.000 1.763 472 G CA 0.055 45.193 45.100 0.062 0.000 1.210 472 G HN 0.524 nan 8.290 nan 0.000 0.472 473 P HA 0.024 nan 4.420 nan 0.000 0.215 473 P C 2.240 179.548 177.300 0.013 0.000 1.157 473 P CA 3.050 66.175 63.100 0.042 0.000 0.874 473 P CB -0.211 31.491 31.700 0.004 0.000 0.790 474 A N -0.823 121.951 122.820 -0.075 0.000 1.877 474 A HA -0.183 4.138 4.320 0.001 0.000 0.216 474 A C 2.159 179.659 177.584 -0.141 0.000 1.186 474 A CA 1.519 53.502 52.037 -0.089 0.000 0.620 474 A CB -1.696 17.220 19.000 -0.140 0.000 0.822 474 A HN 0.149 nan 8.150 nan 0.000 0.443 475 L N -1.328 119.730 121.223 -0.275 0.000 1.989 475 L HA -0.124 4.217 4.340 0.001 0.000 0.211 475 L C 2.179 178.816 176.870 -0.388 0.000 1.071 475 L CA 2.134 56.733 54.840 -0.402 0.000 0.749 475 L CB -0.792 40.896 42.059 -0.618 0.000 0.890 475 L HN 0.358 nan 8.230 nan 0.000 0.431 476 F N -0.884 118.967 119.950 -0.165 0.000 2.325 476 F HA -0.078 4.450 4.527 0.001 0.000 0.299 476 F C 2.555 178.305 175.800 -0.084 0.000 1.090 476 F CA 1.163 59.069 58.000 -0.157 0.000 1.392 476 F CB -0.777 38.111 39.000 -0.185 0.000 1.053 476 F HN 0.024 nan 8.300 nan 0.000 0.521 477 S N -0.574 115.189 115.700 0.105 0.000 2.359 477 S HA -0.189 4.281 4.470 0.001 0.000 0.224 477 S C 2.167 176.748 174.600 -0.033 0.000 1.035 477 S CA 1.971 60.225 58.200 0.090 0.000 1.018 477 S CB -0.579 62.778 63.200 0.262 0.000 0.876 477 S HN 0.356 nan 8.310 nan 0.000 0.448 478 T N 2.154 116.664 114.554 -0.073 0.000 2.812 478 T HA 0.046 4.396 4.350 0.001 0.000 0.264 478 T C 1.765 176.392 174.700 -0.121 0.000 1.042 478 T CA 0.839 62.864 62.100 -0.124 0.000 1.140 478 T CB -0.320 68.467 68.868 -0.135 0.000 0.870 478 T HN 0.176 nan 8.240 nan 0.000 0.445 479 L N 0.646 121.794 121.223 -0.125 0.000 2.056 479 L HA 0.146 4.486 4.340 0.001 0.000 0.207 479 L C 1.609 178.479 176.870 -0.000 0.000 1.078 479 L CA 1.802 56.584 54.840 -0.097 0.000 0.749 479 L CB -0.285 41.652 42.059 -0.203 0.000 0.901 479 L HN 0.234 nan 8.230 nan 0.000 0.433 480 L N -1.274 120.001 121.223 0.088 0.000 2.808 480 L HA 0.288 4.629 4.340 0.001 0.000 0.246 480 L C 2.052 179.035 176.870 0.189 0.000 1.153 480 L CA 0.387 55.384 54.840 0.263 0.000 0.956 480 L CB -0.421 41.945 42.059 0.513 0.000 1.270 480 L HN 0.292 nan 8.230 nan 0.000 0.528 481 G N 1.373 110.170 108.800 -0.004 0.000 2.509 481 G HA2 -0.235 3.725 3.960 0.001 0.000 0.218 481 G HA3 -0.235 3.725 3.960 0.001 0.000 0.218 481 G C 1.586 176.382 174.900 -0.174 0.000 1.124 481 G CA 0.592 45.635 45.100 -0.096 0.000 0.776 481 G HN 0.544 nan 8.290 nan 0.000 0.547 482 K N -0.494 119.732 120.400 -0.289 0.000 2.360 482 K HA -0.079 4.242 4.320 0.001 0.000 0.201 482 K C 1.227 177.593 176.600 -0.390 0.000 1.046 482 K CA 0.906 56.968 56.287 -0.376 0.000 0.945 482 K CB -0.333 31.882 32.500 -0.475 0.000 0.750 482 K HN 0.356 nan 8.250 nan 0.000 0.464 483 Y N 2.423 122.627 120.300 -0.160 0.000 2.466 483 Y HA 0.091 4.642 4.550 0.001 0.000 0.272 483 Y C 1.051 176.772 175.900 -0.298 0.000 1.169 483 Y CA 0.013 57.898 58.100 -0.359 0.000 1.285 483 Y CB -0.293 37.672 38.460 -0.825 0.000 1.078 483 Y HN 0.188 nan 8.280 nan 0.000 0.523 484 T N -3.487 111.058 114.554 -0.015 0.000 2.910 484 T HA 0.271 4.621 4.350 0.001 0.000 0.279 484 T C 1.227 175.924 174.700 -0.005 0.000 0.989 484 T CA -0.206 61.919 62.100 0.041 0.000 0.968 484 T CB 1.476 70.373 68.868 0.048 0.000 1.135 484 T HN 0.091 nan 8.240 nan 0.000 0.562 485 S N -0.732 114.990 115.700 0.037 0.000 2.603 485 S HA 0.165 4.635 4.470 0.001 0.000 0.220 485 S C 0.500 175.098 174.600 -0.005 0.000 0.967 485 S CA -0.579 57.637 58.200 0.026 0.000 0.920 485 S CB -0.639 62.600 63.200 0.064 0.000 0.773 485 S HN 0.590 nan 8.310 nan 0.000 0.529 486 V N 3.711 123.575 119.914 -0.084 0.000 2.427 486 V HA 0.214 4.335 4.120 0.001 0.000 0.268 486 V C -1.355 174.654 176.094 -0.141 0.000 1.046 486 V CA -1.596 60.607 62.300 -0.162 0.000 0.970 486 V CB 0.741 32.280 31.823 -0.472 0.000 1.001 486 V HN 0.165 nan 8.190 nan 0.000 0.476 487 P HA -0.227 nan 4.420 nan 0.000 0.215 487 P C 1.876 179.165 177.300 -0.018 0.000 1.157 487 P CA 1.615 64.716 63.100 0.001 0.000 0.874 487 P CB -0.017 31.726 31.700 0.072 0.000 0.790 488 M N -2.505 117.061 119.600 -0.057 0.000 2.460 488 M HA -0.041 4.439 4.480 0.001 0.000 0.263 488 M C 1.248 177.337 176.300 -0.353 0.000 1.071 488 M CA 1.868 56.990 55.300 -0.296 0.000 1.096 488 M CB -0.941 31.443 32.600 -0.359 0.000 1.408 488 M HN -0.092 nan 8.290 nan 0.000 0.463 489 L N -0.001 121.029 121.223 -0.321 0.000 2.567 489 L HA 0.227 4.567 4.340 0.001 0.000 0.225 489 L C 0.593 177.324 176.870 -0.232 0.000 1.119 489 L CA 0.017 54.663 54.840 -0.323 0.000 0.871 489 L CB -0.118 41.683 42.059 -0.429 0.000 1.036 489 L HN 0.232 nan 8.230 nan 0.000 0.459 490 K N 0.000 120.291 120.400 -0.182 0.000 2.780 490 K HA 0.000 4.321 4.320 0.001 0.000 0.191 490 K CA 0.000 56.206 56.287 -0.135 0.000 0.838 490 K CB 0.000 32.442 32.500 -0.097 0.000 1.064 490 K HN 0.000 nan 8.250 nan 0.000 0.543