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 3ob4_1_A DATA FIRST_RESID 1 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PAAAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YAAGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSAV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDAA LAAAQTNAAA XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXRRc QSQLERANLR PcEQHLMQKI DATA SEQUENCE QRDEDSXXRD PYSPSQDPXX XXXXXXXXXX XXXHQERccN ELNEFENNQR DATA SEQUENCE cMcEALQQIM ENQSDRLQGR QQEQQFKREL RNLPQQcGLR APQRcDLD 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 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.572 176.600 -0.047 0.000 0.988 1 K CA 0.000 56.261 56.287 -0.043 0.000 0.838 1 K CB 0.000 32.477 32.500 -0.038 0.000 1.064 2 I N 3.255 123.795 120.570 -0.051 0.000 2.362 2 I HA 0.323 4.495 4.170 0.002 0.000 0.289 2 I C 0.490 176.584 176.117 -0.038 0.000 0.994 2 I CA -0.958 60.310 61.300 -0.055 0.000 1.158 2 I CB 1.853 39.810 38.000 -0.071 0.000 1.315 2 I HN 0.710 nan 8.210 nan 0.000 0.451 3 E N 3.937 124.118 120.200 -0.031 0.000 2.366 3 E HA 0.069 4.420 4.350 0.002 0.000 0.266 3 E C -0.241 176.348 176.600 -0.018 0.000 1.015 3 E CA -0.697 55.691 56.400 -0.020 0.000 0.906 3 E CB 1.123 30.816 29.700 -0.013 0.000 0.979 3 E HN 0.691 nan 8.360 nan 0.000 0.443 4 E N 1.208 121.401 120.200 -0.012 0.000 2.338 4 E HA 0.393 4.744 4.350 0.002 0.000 0.272 4 E C 1.116 177.717 176.600 0.002 0.000 1.029 4 E CA 0.511 56.907 56.400 -0.006 0.000 0.872 4 E CB 0.342 30.040 29.700 -0.004 0.000 1.015 4 E HN 0.842 nan 8.360 nan 0.000 0.417 5 G N 2.226 111.031 108.800 0.009 0.000 2.493 5 G HA2 -0.238 3.723 3.960 0.002 0.000 0.206 5 G HA3 -0.238 3.723 3.960 0.002 0.000 0.206 5 G C 0.319 175.235 174.900 0.028 0.000 1.109 5 G CA 0.095 45.207 45.100 0.020 0.000 0.689 5 G HN 0.831 nan 8.290 nan 0.000 0.516 6 K N 0.651 121.058 120.400 0.013 0.000 2.090 6 K HA 0.898 5.219 4.320 0.002 0.000 0.249 6 K C -0.216 176.373 176.600 -0.019 0.000 0.995 6 K CA -0.122 56.170 56.287 0.009 0.000 0.914 6 K CB 0.757 33.258 32.500 0.001 0.000 1.057 6 K HN 0.738 nan 8.250 nan 0.000 0.462 7 L N 1.774 122.967 121.223 -0.050 0.000 2.343 7 L HA 0.430 4.772 4.340 0.002 0.000 0.278 7 L C -0.962 175.831 176.870 -0.128 0.000 0.996 7 L CA -1.319 53.445 54.840 -0.128 0.000 0.831 7 L CB 2.020 43.923 42.059 -0.260 0.000 1.232 7 L HN 0.446 nan 8.230 nan 0.000 0.413 8 V N 5.176 125.024 119.914 -0.111 0.000 2.427 8 V HA 0.477 4.598 4.120 0.002 0.000 0.286 8 V C 0.112 176.156 176.094 -0.084 0.000 1.034 8 V CA -0.309 61.947 62.300 -0.073 0.000 0.893 8 V CB 2.052 33.840 31.823 -0.059 0.000 0.982 8 V HN 0.503 nan 8.190 nan 0.000 0.452 9 I N 3.536 124.119 120.570 0.021 0.000 2.498 9 I HA 0.425 4.596 4.170 0.002 0.000 0.290 9 I C -1.234 175.104 176.117 0.369 0.000 1.032 9 I CA -0.435 60.930 61.300 0.108 0.000 1.073 9 I CB 2.223 40.240 38.000 0.028 0.000 1.251 9 I HN 0.522 nan 8.210 nan 0.000 0.426 10 W N 7.221 128.579 121.300 0.096 0.000 2.478 10 W HA 0.720 5.383 4.660 0.006 0.000 0.318 10 W C -0.394 176.227 176.519 0.169 0.000 1.062 10 W CA -0.977 56.419 57.345 0.085 0.000 1.210 10 W CB 1.381 30.880 29.460 0.065 0.000 1.325 10 W HN 0.213 nan 8.180 nan 0.000 0.496 11 I N 2.988 123.712 120.570 0.258 0.000 2.913 11 I HA 0.292 4.463 4.170 0.002 0.000 0.302 11 I C -0.426 175.748 176.117 0.095 0.000 1.246 11 I CA -0.852 60.557 61.300 0.181 0.000 1.010 11 I CB 1.774 39.736 38.000 -0.064 0.000 1.259 11 I HN 0.222 nan 8.210 nan 0.000 0.434 12 N N 3.159 121.905 118.700 0.077 0.000 2.479 12 N HA 0.187 4.928 4.740 0.002 0.000 0.257 12 N C 1.050 176.502 175.510 -0.097 0.000 1.232 12 N CA 1.113 54.154 53.050 -0.015 0.000 0.920 12 N CB 1.552 39.926 38.487 -0.187 0.000 1.105 12 N HN 0.758 nan 8.380 nan 0.000 0.444 13 G N 1.011 109.725 108.800 -0.144 0.000 2.501 13 G HA2 -0.240 3.721 3.960 0.002 0.000 0.220 13 G HA3 -0.240 3.721 3.960 0.002 0.000 0.220 13 G C 0.590 175.418 174.900 -0.120 0.000 1.114 13 G CA 1.018 45.968 45.100 -0.249 0.000 0.757 13 G HN 0.814 nan 8.290 nan 0.000 0.559 14 D N -0.871 119.411 120.400 -0.196 0.000 2.340 14 D HA 0.124 4.766 4.640 0.002 0.000 0.217 14 D C 0.785 176.993 176.300 -0.152 0.000 1.081 14 D CA 0.018 53.885 54.000 -0.222 0.000 0.842 14 D CB 0.296 40.800 40.800 -0.495 0.000 0.934 14 D HN -0.021 nan 8.370 nan 0.000 0.511 15 K N -0.032 120.325 120.400 -0.072 0.000 2.211 15 K HA 0.557 4.878 4.320 0.002 0.000 0.237 15 K C 0.732 177.332 176.600 0.000 0.000 1.002 15 K CA -0.866 55.402 56.287 -0.031 0.000 0.885 15 K CB 1.224 33.685 32.500 -0.064 0.000 1.136 15 K HN 0.011 nan 8.250 nan 0.000 0.448 16 G N 1.910 110.690 108.800 -0.032 0.000 3.102 16 G HA2 0.048 4.010 3.960 0.002 0.000 0.264 16 G HA3 0.048 4.010 3.960 0.002 0.000 0.264 16 G C 0.776 175.613 174.900 -0.105 0.000 0.788 16 G CA -0.020 45.018 45.100 -0.103 0.000 2.029 16 G HN 0.604 nan 8.290 nan 0.000 0.608 17 Y N -0.473 119.788 120.300 -0.065 0.000 2.314 17 Y HA -0.067 4.484 4.550 0.002 0.000 0.293 17 Y C 2.166 178.066 175.900 0.001 0.000 1.129 17 Y CA 0.725 58.797 58.100 -0.047 0.000 1.201 17 Y CB -0.442 38.012 38.460 -0.010 0.000 0.999 17 Y HN 0.257 nan 8.280 nan 0.000 0.541 18 N N 1.236 119.759 118.700 -0.295 0.000 2.084 18 N HA -0.144 4.597 4.740 0.002 0.000 0.190 18 N C 2.168 177.660 175.510 -0.029 0.000 1.030 18 N CA 1.649 54.633 53.050 -0.111 0.000 0.849 18 N CB -0.911 37.454 38.487 -0.205 0.000 1.012 18 N HN 0.611 nan 8.380 nan 0.000 0.423 19 G N 1.305 110.070 108.800 -0.058 0.000 2.462 19 G HA2 -0.190 3.772 3.960 0.002 0.000 0.220 19 G HA3 -0.190 3.772 3.960 0.002 0.000 0.220 19 G C 1.599 176.522 174.900 0.039 0.000 1.121 19 G CA 0.385 45.484 45.100 -0.001 0.000 0.758 19 G HN 0.218 nan 8.290 nan 0.000 0.559 20 L N 0.785 122.034 121.223 0.042 0.000 2.162 20 L HA 0.410 4.752 4.340 0.002 0.000 0.205 20 L C 2.984 179.937 176.870 0.139 0.000 1.086 20 L CA 1.639 56.528 54.840 0.082 0.000 0.778 20 L CB -0.508 41.553 42.059 0.003 0.000 0.928 20 L HN 0.176 nan 8.230 nan 0.000 0.446 21 A N -0.608 122.284 122.820 0.119 0.000 1.978 21 A HA -0.176 4.146 4.320 0.002 0.000 0.220 21 A C 2.085 179.752 177.584 0.139 0.000 1.170 21 A CA 1.632 53.747 52.037 0.129 0.000 0.636 21 A CB -0.473 18.601 19.000 0.124 0.000 0.810 21 A HN 0.502 nan 8.150 nan 0.000 0.448 22 E N -0.003 120.268 120.200 0.117 0.000 2.051 22 E HA -0.129 4.222 4.350 0.002 0.000 0.192 22 E C 2.165 178.859 176.600 0.157 0.000 0.991 22 E CA 1.473 57.942 56.400 0.114 0.000 0.799 22 E CB -0.899 28.849 29.700 0.080 0.000 0.748 22 E HN 0.408 nan 8.360 nan 0.000 0.449 23 V N 1.088 121.105 119.914 0.172 0.000 2.594 23 V HA -0.167 3.954 4.120 0.002 0.000 0.253 23 V C 2.332 178.645 176.094 0.364 0.000 1.069 23 V CA 1.735 64.161 62.300 0.210 0.000 1.082 23 V CB -1.156 30.744 31.823 0.128 0.000 0.680 23 V HN 0.308 nan 8.190 nan 0.000 0.469 24 G N -0.261 108.763 108.800 0.374 0.000 2.418 24 G HA2 -0.221 3.740 3.960 0.002 0.000 0.217 24 G HA3 -0.221 3.740 3.960 0.002 0.000 0.217 24 G C 1.710 176.804 174.900 0.324 0.000 1.158 24 G CA 0.730 46.053 45.100 0.373 0.000 0.771 24 G HN 0.462 nan 8.290 nan 0.000 0.545 25 K N 0.120 120.660 120.400 0.233 0.000 2.031 25 K HA 0.019 4.340 4.320 0.002 0.000 0.205 25 K C 2.441 179.160 176.600 0.198 0.000 1.049 25 K CA 1.098 57.496 56.287 0.184 0.000 0.939 25 K CB -0.113 32.464 32.500 0.128 0.000 0.717 25 K HN 0.260 nan 8.250 nan 0.000 0.438 26 K N 0.501 121.034 120.400 0.221 0.000 2.152 26 K HA -0.188 4.133 4.320 0.002 0.000 0.206 26 K C 1.872 178.670 176.600 0.330 0.000 1.048 26 K CA 1.283 57.712 56.287 0.237 0.000 0.933 26 K CB -0.172 32.467 32.500 0.231 0.000 0.721 26 K HN 0.060 nan 8.250 nan 0.000 0.447 27 F N 1.651 121.706 119.950 0.174 0.000 2.259 27 F HA -0.061 4.467 4.527 0.002 0.000 0.298 27 F C 2.159 177.949 175.800 -0.016 0.000 1.088 27 F CA 1.545 59.487 58.000 -0.096 0.000 1.358 27 F CB 0.018 38.908 39.000 -0.184 0.000 1.040 27 F HN 0.170 nan 8.300 nan 0.000 0.505 28 E N 0.698 120.988 120.200 0.149 0.000 2.076 28 E HA -0.150 4.201 4.350 0.002 0.000 0.190 28 E C 2.395 178.990 176.600 -0.007 0.000 0.979 28 E CA 1.264 57.698 56.400 0.056 0.000 0.807 28 E CB -0.119 29.657 29.700 0.128 0.000 0.761 28 E HN 0.364 nan 8.360 nan 0.000 0.454 29 K N 0.975 121.398 120.400 0.038 0.000 2.152 29 K HA -0.166 4.156 4.320 0.002 0.000 0.206 29 K C 1.426 178.023 176.600 -0.005 0.000 1.048 29 K CA 1.968 58.271 56.287 0.027 0.000 0.933 29 K CB -0.592 31.940 32.500 0.054 0.000 0.721 29 K HN 0.195 nan 8.250 nan 0.000 0.447 30 D N -1.703 118.681 120.400 -0.027 0.000 2.360 30 D HA 0.075 4.717 4.640 0.002 0.000 0.210 30 D C 1.050 177.262 176.300 -0.146 0.000 1.047 30 D CA 1.041 55.017 54.000 -0.040 0.000 0.854 30 D CB 1.067 41.907 40.800 0.066 0.000 0.936 30 D HN 0.439 nan 8.370 nan 0.000 0.514 31 T N -1.998 112.404 114.554 -0.253 0.000 3.105 31 T HA 0.300 4.652 4.350 0.002 0.000 0.257 31 T C 1.469 176.064 174.700 -0.174 0.000 0.949 31 T CA 0.470 62.373 62.100 -0.329 0.000 0.959 31 T CB 1.332 69.716 68.868 -0.806 0.000 1.205 31 T HN 0.127 nan 8.240 nan 0.000 0.496 32 G N 1.493 110.221 108.800 -0.120 0.000 2.179 32 G HA2 -0.191 3.771 3.960 0.002 0.000 0.260 32 G HA3 -0.191 3.771 3.960 0.002 0.000 0.260 32 G C 0.292 175.185 174.900 -0.012 0.000 0.977 32 G CA 0.182 45.255 45.100 -0.044 0.000 0.641 32 G HN 0.978 nan 8.290 nan 0.000 0.533 33 I N 0.716 121.279 120.570 -0.012 0.000 2.352 33 I HA 0.776 4.948 4.170 0.002 0.000 0.290 33 I C 0.793 176.998 176.117 0.147 0.000 1.036 33 I CA -0.273 61.082 61.300 0.092 0.000 1.336 33 I CB 0.693 38.818 38.000 0.207 0.000 1.407 33 I HN 0.381 nan 8.210 nan 0.000 0.497 34 K N 5.325 125.780 120.400 0.091 0.000 2.378 34 K HA 0.505 4.827 4.320 0.002 0.000 0.288 34 K C -0.980 175.657 176.600 0.061 0.000 1.057 34 K CA -0.041 56.291 56.287 0.076 0.000 0.971 34 K CB 0.578 33.105 32.500 0.045 0.000 0.975 34 K HN 0.664 nan 8.250 nan 0.000 0.475 35 V N 4.848 124.802 119.914 0.067 0.000 2.333 35 V HA 0.133 4.254 4.120 0.002 0.000 0.274 35 V C -0.095 175.990 176.094 -0.015 0.000 1.028 35 V CA -0.550 61.736 62.300 -0.024 0.000 0.851 35 V CB 1.458 33.242 31.823 -0.064 0.000 1.000 35 V HN 0.798 nan 8.190 nan 0.000 0.456 36 T N 5.085 119.621 114.554 -0.030 0.000 2.799 36 T HA 0.540 4.891 4.350 0.002 0.000 0.286 36 T C -0.278 174.431 174.700 0.014 0.000 0.973 36 T CA -0.226 61.879 62.100 0.007 0.000 1.035 36 T CB 1.439 70.320 68.868 0.021 0.000 0.932 36 T HN 0.335 nan 8.240 nan 0.000 0.469 37 V N 4.448 124.386 119.914 0.040 0.000 2.444 37 V HA 0.453 4.575 4.120 0.002 0.000 0.294 37 V C -0.138 175.978 176.094 0.036 0.000 1.022 37 V CA -0.726 61.611 62.300 0.061 0.000 0.850 37 V CB 1.592 33.463 31.823 0.080 0.000 0.992 37 V HN 0.855 nan 8.190 nan 0.000 0.426 38 E N 2.530 122.752 120.200 0.037 0.000 2.288 38 E HA 0.576 4.928 4.350 0.002 0.000 0.268 38 E C -1.227 175.205 176.600 -0.279 0.000 0.885 38 E CA -0.836 55.458 56.400 -0.176 0.000 0.767 38 E CB 2.117 31.726 29.700 -0.152 0.000 1.220 38 E HN 0.978 nan 8.360 nan 0.000 0.427 39 H N -0.344 118.478 119.070 -0.412 0.000 2.348 39 H HA 0.406 4.963 4.556 0.002 0.000 0.232 39 H C -2.748 172.331 175.328 -0.416 0.000 1.419 39 H CA -2.513 53.267 56.048 -0.447 0.000 1.416 39 H CB -0.349 29.029 29.762 -0.640 0.000 1.510 39 H HN 0.149 nan 8.280 nan 0.000 0.507 40 P HA 0.110 nan 4.420 nan 0.000 0.274 40 P C -0.218 176.912 177.300 -0.282 0.000 1.246 40 P CA -0.353 62.464 63.100 -0.473 0.000 0.795 40 P CB 0.919 32.139 31.700 -0.800 0.000 1.006 41 D N 0.992 121.267 120.400 -0.209 0.000 2.302 41 D HA 0.090 4.732 4.640 0.002 0.000 0.248 41 D C 0.355 176.577 176.300 -0.130 0.000 1.094 41 D CA -0.128 53.796 54.000 -0.127 0.000 0.897 41 D CB 0.240 40.985 40.800 -0.091 0.000 1.200 41 D HN 0.332 nan 8.370 nan 0.000 0.429 42 K N 0.441 120.791 120.400 -0.083 0.000 3.016 42 K HA -0.227 4.094 4.320 0.002 0.000 0.262 42 K C 1.230 177.751 176.600 -0.132 0.000 1.043 42 K CA 0.195 56.428 56.287 -0.090 0.000 0.761 42 K CB -1.624 30.838 32.500 -0.063 0.000 1.230 42 K HN 0.407 nan 8.250 nan 0.000 0.485 43 L N -0.153 120.980 121.223 -0.150 0.000 2.187 43 L HA -0.152 4.189 4.340 0.002 0.000 0.213 43 L C 2.254 179.087 176.870 -0.062 0.000 1.100 43 L CA 2.093 56.856 54.840 -0.128 0.000 0.765 43 L CB -0.442 41.535 42.059 -0.137 0.000 0.904 43 L HN 0.280 nan 8.230 nan 0.000 0.437 44 E N 0.705 120.671 120.200 -0.390 0.000 2.418 44 E HA -0.197 4.154 4.350 0.002 0.000 0.197 44 E C 1.499 177.979 176.600 -0.201 0.000 1.026 44 E CA 1.286 57.340 56.400 -0.577 0.000 0.862 44 E CB -0.206 28.495 29.700 -1.665 0.000 0.799 44 E HN 0.819 nan 8.360 nan 0.000 0.518 45 E N 0.748 120.873 120.200 -0.125 0.000 2.099 45 E HA 0.050 4.401 4.350 0.002 0.000 0.191 45 E C 2.016 178.642 176.600 0.044 0.000 0.962 45 E CA 0.202 56.596 56.400 -0.009 0.000 0.826 45 E CB 0.200 29.895 29.700 -0.009 0.000 0.788 45 E HN 0.151 nan 8.360 nan 0.000 0.461 46 K N 0.551 120.982 120.400 0.052 0.000 2.063 46 K HA -0.182 4.140 4.320 0.002 0.000 0.208 46 K C 2.035 178.752 176.600 0.195 0.000 1.048 46 K CA 1.330 57.683 56.287 0.111 0.000 0.928 46 K CB -0.282 32.272 32.500 0.089 0.000 0.713 46 K HN 0.066 nan 8.250 nan 0.000 0.442 47 F N 2.520 122.549 119.950 0.132 0.000 2.069 47 F HA -0.152 4.375 4.527 -0.001 0.000 0.298 47 F C -1.183 174.515 175.800 -0.170 0.000 1.113 47 F CA 1.270 59.255 58.000 -0.026 0.000 1.214 47 F CB -1.114 37.768 39.000 -0.197 0.000 0.978 47 F HN -0.024 nan 8.300 nan 0.000 0.474 48 P HA -0.213 nan 4.420 nan 0.000 0.216 48 P C 1.290 178.457 177.300 -0.223 0.000 1.150 48 P CA 2.116 65.091 63.100 -0.208 0.000 0.843 48 P CB -0.230 31.533 31.700 0.105 0.000 0.787 49 Q N -0.805 118.921 119.800 -0.125 0.000 2.172 49 Q HA -0.067 4.275 4.340 0.002 0.000 0.200 49 Q C 2.044 177.963 176.000 -0.135 0.000 0.964 49 Q CA 1.658 57.404 55.803 -0.094 0.000 0.855 49 Q CB -0.412 28.305 28.738 -0.035 0.000 0.918 49 Q HN 0.283 nan 8.270 nan 0.000 0.444 50 V N -3.418 116.387 119.914 -0.180 0.000 2.795 50 V HA 0.222 4.343 4.120 0.002 0.000 0.243 50 V C 2.120 178.027 176.094 -0.312 0.000 1.069 50 V CA 0.972 63.164 62.300 -0.181 0.000 1.089 50 V CB -0.712 31.062 31.823 -0.082 0.000 0.756 50 V HN 0.146 nan 8.190 nan 0.000 0.471 51 A N 0.900 123.372 122.820 -0.579 0.000 2.070 51 A HA 0.109 4.431 4.320 0.002 0.000 0.220 51 A C 2.402 179.747 177.584 -0.398 0.000 1.159 51 A CA 2.070 53.714 52.037 -0.656 0.000 0.656 51 A CB -0.849 17.321 19.000 -1.384 0.000 0.800 51 A HN 0.944 nan 8.150 nan 0.000 0.453 52 A N -0.090 122.533 122.820 -0.328 0.000 1.877 52 A HA -0.130 4.192 4.320 0.002 0.000 0.216 52 A C 2.461 179.960 177.584 -0.141 0.000 1.186 52 A CA 2.497 54.418 52.037 -0.194 0.000 0.620 52 A CB -1.360 17.552 19.000 -0.147 0.000 0.822 52 A HN 0.820 nan 8.150 nan 0.000 0.443 53 T N -4.381 110.092 114.554 -0.135 0.000 2.995 53 T HA 0.349 4.700 4.350 0.002 0.000 0.269 53 T C 1.317 175.958 174.700 -0.098 0.000 1.091 53 T CA 1.449 63.490 62.100 -0.098 0.000 1.128 53 T CB 0.010 68.829 68.868 -0.082 0.000 0.891 53 T HN 1.785 nan 8.240 nan 0.000 0.492 54 G N 0.499 109.221 108.800 -0.130 0.000 2.151 54 G HA2 -0.078 3.883 3.960 0.002 0.000 0.140 54 G HA3 -0.078 3.883 3.960 0.002 0.000 0.140 54 G C -0.486 174.340 174.900 -0.123 0.000 1.020 54 G CA -0.072 44.958 45.100 -0.116 0.000 0.688 54 G HN 0.604 nan 8.290 nan 0.000 0.500 55 D N -0.619 119.691 120.400 -0.150 0.000 2.570 55 D HA 0.740 5.381 4.640 0.002 0.000 0.266 55 D C 1.099 177.264 176.300 -0.225 0.000 1.182 55 D CA 0.848 54.761 54.000 -0.145 0.000 1.088 55 D CB 0.534 41.273 40.800 -0.101 0.000 1.186 55 D HN 1.296 nan 8.370 nan 0.000 0.618 56 G N -0.744 107.909 108.800 -0.246 0.000 2.627 56 G HA2 -0.068 3.893 3.960 0.002 0.000 0.214 56 G HA3 -0.068 3.893 3.960 0.002 0.000 0.214 56 G C -2.783 171.809 174.900 -0.514 0.000 1.331 56 G CA -0.915 43.892 45.100 -0.487 0.000 0.891 56 G HN 0.434 nan 8.290 nan 0.000 0.539 57 P HA 0.408 nan 4.420 nan 0.000 0.280 57 P C 0.127 177.254 177.300 -0.288 0.000 1.272 57 P CA -0.444 62.301 63.100 -0.592 0.000 0.819 57 P CB 0.761 31.913 31.700 -0.913 0.000 1.122 58 D N -0.340 119.944 120.400 -0.193 0.000 2.194 58 D HA 0.055 4.696 4.640 0.002 0.000 0.204 58 D C 0.716 176.960 176.300 -0.092 0.000 0.964 58 D CA 1.398 55.328 54.000 -0.117 0.000 0.846 58 D CB 0.229 40.963 40.800 -0.109 0.000 0.962 58 D HN 0.325 nan 8.370 nan 0.000 0.490 59 I N 0.630 121.138 120.570 -0.104 0.000 2.569 59 I HA 0.340 4.512 4.170 0.002 0.000 0.296 59 I C -0.921 175.180 176.117 -0.026 0.000 1.028 59 I CA -1.142 60.126 61.300 -0.053 0.000 1.082 59 I CB 2.862 40.864 38.000 0.003 0.000 1.264 59 I HN -0.269 nan 8.210 nan 0.000 0.429 60 I N 5.291 125.814 120.570 -0.077 0.000 2.447 60 I HA 0.478 4.649 4.170 0.002 0.000 0.287 60 I C -1.639 174.544 176.117 0.110 0.000 1.023 60 I CA -0.154 61.109 61.300 -0.061 0.000 1.083 60 I CB 1.201 38.824 38.000 -0.628 0.000 1.245 60 I HN 0.230 nan 8.210 nan 0.000 0.434 61 F N 7.804 127.892 119.950 0.231 0.000 2.411 61 F HA 0.599 5.129 4.527 0.005 0.000 0.352 61 F C -0.364 175.696 175.800 0.432 0.000 1.123 61 F CA 0.016 58.207 58.000 0.318 0.000 1.044 61 F CB 1.105 40.233 39.000 0.212 0.000 1.135 61 F HN 0.456 nan 8.300 nan 0.000 0.461 62 W N 1.912 123.433 121.300 0.368 0.000 2.895 62 W HA 0.636 5.296 4.660 0.001 0.000 0.377 62 W C -1.390 175.294 176.519 0.275 0.000 1.191 62 W CA -1.177 56.266 57.345 0.163 0.000 1.179 62 W CB 1.382 30.777 29.460 -0.109 0.000 1.469 62 W HN 0.556 nan 8.180 nan 0.000 0.577 63 A N 1.834 124.576 122.820 -0.131 0.000 2.445 63 A HA 0.108 4.429 4.320 0.002 0.000 0.242 63 A C 1.350 179.163 177.584 0.382 0.000 1.075 63 A CA 0.720 52.794 52.037 0.061 0.000 0.777 63 A CB -0.093 18.767 19.000 -0.232 0.000 1.013 63 A HN 0.762 nan 8.150 nan 0.000 0.493 64 H N 1.604 120.869 119.070 0.324 0.000 2.460 64 H HA -0.190 4.367 4.556 0.001 0.000 0.297 64 H C 1.018 176.548 175.328 0.338 0.000 1.103 64 H CA 1.621 57.906 56.048 0.394 0.000 1.292 64 H CB -0.502 29.343 29.762 0.139 0.000 1.376 64 H HN 0.804 nan 8.280 nan 0.000 0.531 65 D N 1.420 121.565 120.400 -0.425 0.000 2.263 65 D HA -0.178 4.463 4.640 0.002 0.000 0.208 65 D C 1.940 178.128 176.300 -0.186 0.000 0.971 65 D CA 0.591 54.393 54.000 -0.330 0.000 0.867 65 D CB -0.469 40.144 40.800 -0.311 0.000 0.929 65 D HN 0.382 nan 8.370 nan 0.000 0.492 66 R N -1.142 119.224 120.500 -0.224 0.000 2.246 66 R HA 0.119 4.460 4.340 0.002 0.000 0.199 66 R C 1.774 177.543 176.300 -0.884 0.000 0.984 66 R CA 0.001 55.744 56.100 -0.595 0.000 1.015 66 R CB -0.140 29.667 30.300 -0.821 0.000 0.930 66 R HN 0.187 nan 8.270 nan 0.000 0.475 67 F N -0.006 119.728 119.950 -0.360 0.000 2.325 67 F HA 0.009 4.537 4.527 0.001 0.000 0.299 67 F C 2.462 178.091 175.800 -0.286 0.000 1.090 67 F CA 1.121 58.991 58.000 -0.217 0.000 1.392 67 F CB -0.635 38.373 39.000 0.013 0.000 1.053 67 F HN 0.100 nan 8.300 nan 0.000 0.521 68 G N 0.141 108.789 108.800 -0.253 0.000 2.469 68 G HA2 -0.236 3.725 3.960 0.002 0.000 0.219 68 G HA3 -0.236 3.725 3.960 0.002 0.000 0.219 68 G C 2.059 176.623 174.900 -0.561 0.000 1.150 68 G CA 0.996 45.686 45.100 -0.684 0.000 0.763 68 G HN 0.493 nan 8.290 nan 0.000 0.561 69 G N -0.095 108.467 108.800 -0.398 0.000 2.421 69 G HA2 -0.177 3.785 3.960 0.002 0.000 0.216 69 G HA3 -0.177 3.785 3.960 0.002 0.000 0.216 69 G C 1.627 176.481 174.900 -0.076 0.000 1.171 69 G CA 1.070 46.017 45.100 -0.256 0.000 0.775 69 G HN 0.380 nan 8.290 nan 0.000 0.543 70 Y N 1.513 121.787 120.300 -0.043 0.000 2.128 70 Y HA -0.033 4.516 4.550 -0.000 0.000 0.284 70 Y C 3.157 179.097 175.900 0.067 0.000 1.154 70 Y CA 0.225 58.364 58.100 0.066 0.000 1.149 70 Y CB -1.254 37.303 38.460 0.161 0.000 0.976 70 Y HN 0.274 nan 8.280 nan 0.000 0.505 71 A N 0.043 122.969 122.820 0.176 0.000 1.851 71 A HA -0.335 3.986 4.320 0.002 0.000 0.216 71 A C 2.284 179.955 177.584 0.145 0.000 1.195 71 A CA 2.103 54.229 52.037 0.149 0.000 0.622 71 A CB -1.161 17.904 19.000 0.108 0.000 0.831 71 A HN 0.517 nan 8.150 nan 0.000 0.444 72 Q N -0.197 119.657 119.800 0.090 0.000 2.197 72 Q HA -0.171 4.171 4.340 0.002 0.000 0.207 72 Q C 1.749 177.813 176.000 0.107 0.000 0.984 72 Q CA 1.943 57.830 55.803 0.141 0.000 0.869 72 Q CB -0.197 28.601 28.738 0.100 0.000 0.906 72 Q HN 0.582 nan 8.270 nan 0.000 0.426 73 S N -0.819 114.939 115.700 0.097 0.000 2.603 73 S HA 0.147 4.618 4.470 0.002 0.000 0.220 73 S C 0.870 175.510 174.600 0.067 0.000 0.967 73 S CA 0.510 58.757 58.200 0.078 0.000 0.920 73 S CB 0.312 63.561 63.200 0.082 0.000 0.773 73 S HN 0.712 nan 8.310 nan 0.000 0.529 74 G N 1.489 110.343 108.800 0.090 0.000 2.272 74 G HA2 -0.230 3.731 3.960 0.002 0.000 0.280 74 G HA3 -0.230 3.731 3.960 0.002 0.000 0.280 74 G C 0.383 175.318 174.900 0.058 0.000 1.067 74 G CA 0.313 45.458 45.100 0.074 0.000 0.902 74 G HN 0.524 nan 8.290 nan 0.000 0.500 75 L N -1.449 119.831 121.223 0.095 0.000 2.556 75 L HA 0.387 4.729 4.340 0.002 0.000 0.226 75 L C 1.212 178.178 176.870 0.161 0.000 1.089 75 L CA 0.221 55.102 54.840 0.068 0.000 0.864 75 L CB 0.143 42.223 42.059 0.036 0.000 1.067 75 L HN 0.220 nan 8.230 nan 0.000 0.477 76 L N 0.667 122.002 121.223 0.186 0.000 2.313 76 L HA 0.549 4.891 4.340 0.002 0.000 0.283 76 L C 0.192 177.132 176.870 0.116 0.000 1.013 76 L CA -0.538 54.413 54.840 0.184 0.000 0.816 76 L CB 1.801 44.003 42.059 0.238 0.000 1.236 76 L HN -0.063 nan 8.230 nan 0.000 0.419 77 A N 3.019 125.891 122.820 0.086 0.000 2.409 77 A HA 0.180 4.502 4.320 0.002 0.000 0.262 77 A C 0.203 177.814 177.584 0.045 0.000 1.113 77 A CA -0.265 51.807 52.037 0.058 0.000 0.790 77 A CB 0.302 19.329 19.000 0.046 0.000 1.046 77 A HN 0.801 nan 8.150 nan 0.000 0.496 78 E N 1.214 121.435 120.200 0.035 0.000 2.413 78 E HA 0.257 4.609 4.350 0.002 0.000 0.263 78 E C -0.496 176.094 176.600 -0.017 0.000 1.015 78 E CA -0.212 56.196 56.400 0.012 0.000 0.916 78 E CB 0.270 29.977 29.700 0.012 0.000 0.947 78 E HN 0.576 nan 8.360 nan 0.000 0.440 79 I N 0.944 121.471 120.570 -0.072 0.000 2.460 79 I HA 0.459 4.630 4.170 0.002 0.000 0.298 79 I C -0.748 175.291 176.117 -0.131 0.000 0.989 79 I CA -0.371 60.849 61.300 -0.133 0.000 1.173 79 I CB 2.198 39.961 38.000 -0.395 0.000 1.338 79 I HN 0.333 nan 8.210 nan 0.000 0.456 80 T N 2.841 117.347 114.554 -0.078 0.000 3.078 80 T HA 0.649 5.000 4.350 0.002 0.000 0.328 80 T C -2.767 171.913 174.700 -0.032 0.000 0.987 80 T CA -1.098 60.959 62.100 -0.070 0.000 1.049 80 T CB 0.688 69.531 68.868 -0.042 0.000 1.011 80 T HN 0.553 nan 8.240 nan 0.000 0.463 81 P HA 0.623 nan 4.420 nan 0.000 0.294 81 P C -0.180 177.140 177.300 0.033 0.000 1.294 81 P CA -0.569 62.557 63.100 0.043 0.000 0.827 81 P CB 0.862 32.706 31.700 0.241 0.000 0.992 82 A N 2.739 125.598 122.820 0.064 0.000 2.540 82 A HA 0.319 4.640 4.320 0.002 0.000 0.239 82 A C 1.761 179.398 177.584 0.088 0.000 1.061 82 A CA 0.429 52.504 52.037 0.063 0.000 0.758 82 A CB -0.460 18.584 19.000 0.074 0.000 0.991 82 A HN 0.676 nan 8.150 nan 0.000 0.502 83 A N 3.188 126.026 122.820 0.030 0.000 1.944 83 A HA -0.127 4.195 4.320 0.002 0.000 0.222 83 A C 2.514 180.135 177.584 0.063 0.000 1.237 83 A CA 3.347 55.392 52.037 0.012 0.000 0.668 83 A CB -1.346 17.652 19.000 -0.003 0.000 0.830 83 A HN 2.028 nan 8.150 nan 0.000 0.471 84 A N -1.334 121.539 122.820 0.089 0.000 1.869 84 A HA -0.168 4.153 4.320 0.002 0.000 0.218 84 A C 2.098 179.775 177.584 0.156 0.000 1.203 84 A CA 2.045 54.145 52.037 0.104 0.000 0.638 84 A CB -0.993 18.070 19.000 0.106 0.000 0.831 84 A HN 0.932 nan 8.150 nan 0.000 0.450 85 F N 0.784 120.788 119.950 0.090 0.000 2.091 85 F HA -0.283 4.246 4.527 0.003 0.000 0.299 85 F C 2.617 178.565 175.800 0.246 0.000 1.103 85 F CA 2.485 60.580 58.000 0.158 0.000 1.228 85 F CB -0.468 38.645 39.000 0.189 0.000 0.984 85 F HN 0.373 nan 8.300 nan 0.000 0.477 86 Q N -0.360 119.646 119.800 0.344 0.000 2.197 86 Q HA -0.244 4.097 4.340 0.002 0.000 0.207 86 Q C 1.599 177.744 176.000 0.242 0.000 0.984 86 Q CA 1.674 57.639 55.803 0.270 0.000 0.869 86 Q CB -0.408 28.205 28.738 -0.209 0.000 0.906 86 Q HN 0.448 nan 8.270 nan 0.000 0.426 87 D N 0.302 120.759 120.400 0.095 0.000 2.350 87 D HA -0.074 4.567 4.640 0.002 0.000 0.216 87 D C 1.253 177.553 176.300 0.001 0.000 0.968 87 D CA 0.909 54.939 54.000 0.049 0.000 0.894 87 D CB 0.095 40.908 40.800 0.022 0.000 0.909 87 D HN 0.231 nan 8.370 nan 0.000 0.520 88 K N -0.374 119.997 120.400 -0.049 0.000 2.186 88 K HA 0.101 4.423 4.320 0.002 0.000 0.202 88 K C 0.711 177.222 176.600 -0.149 0.000 1.052 88 K CA 0.367 56.571 56.287 -0.140 0.000 0.965 88 K CB 0.442 32.791 32.500 -0.251 0.000 0.746 88 K HN 0.105 nan 8.250 nan 0.000 0.457 89 L N 1.212 122.406 121.223 -0.048 0.000 2.343 89 L HA 0.267 4.608 4.340 0.002 0.000 0.275 89 L C -0.093 176.806 176.870 0.049 0.000 1.056 89 L CA -1.114 53.689 54.840 -0.061 0.000 0.804 89 L CB 0.373 42.268 42.059 -0.273 0.000 1.203 89 L HN -0.020 nan 8.230 nan 0.000 0.440 90 Y N 2.359 122.668 120.300 0.015 0.000 2.702 90 Y HA -0.048 4.503 4.550 0.001 0.000 0.336 90 Y C -1.321 174.700 175.900 0.201 0.000 1.235 90 Y CA -0.767 57.395 58.100 0.103 0.000 1.492 90 Y CB -0.024 38.494 38.460 0.096 0.000 1.308 90 Y HN 0.487 nan 8.280 nan 0.000 0.589 91 P HA -0.273 nan 4.420 nan 0.000 0.212 91 P C 1.682 179.188 177.300 0.344 0.000 1.178 91 P CA 1.576 64.897 63.100 0.369 0.000 0.915 91 P CB -0.149 31.709 31.700 0.262 0.000 0.788 92 F N 0.891 120.942 119.950 0.169 0.000 2.079 92 F HA -0.358 4.172 4.527 0.004 0.000 0.296 92 F C 2.113 177.943 175.800 0.049 0.000 1.084 92 F CA 2.980 61.033 58.000 0.089 0.000 1.236 92 F CB -1.254 37.773 39.000 0.043 0.000 0.984 92 F HN 0.018 nan 8.300 nan 0.000 0.488 93 T N -3.155 111.517 114.554 0.196 0.000 2.985 93 T HA -0.211 4.141 4.350 0.002 0.000 0.266 93 T C 1.741 176.359 174.700 -0.136 0.000 1.076 93 T CA 1.118 63.191 62.100 -0.046 0.000 1.135 93 T CB -1.165 67.692 68.868 -0.018 0.000 0.890 93 T HN 0.601 nan 8.240 nan 0.000 0.480 94 W N 1.826 123.137 121.300 0.019 0.000 2.388 94 W HA 0.037 4.700 4.660 0.006 0.000 0.294 94 W C 2.057 178.543 176.519 -0.054 0.000 1.212 94 W CA 0.316 57.660 57.345 -0.003 0.000 1.271 94 W CB -0.030 29.448 29.460 0.030 0.000 1.126 94 W HN 0.222 nan 8.180 nan 0.000 0.535 95 D N 0.013 120.499 120.400 0.143 0.000 2.149 95 D HA -0.180 4.462 4.640 0.002 0.000 0.198 95 D C 2.159 178.445 176.300 -0.025 0.000 0.990 95 D CA 1.755 55.774 54.000 0.032 0.000 0.839 95 D CB -0.782 39.984 40.800 -0.057 0.000 0.948 95 D HN 0.128 nan 8.370 nan 0.000 0.460 96 A N 0.348 123.070 122.820 -0.163 0.000 2.067 96 A HA -0.066 4.255 4.320 0.002 0.000 0.219 96 A C 1.998 179.568 177.584 -0.023 0.000 1.158 96 A CA 1.185 53.077 52.037 -0.241 0.000 0.661 96 A CB -0.188 18.434 19.000 -0.629 0.000 0.801 96 A HN 0.229 nan 8.150 nan 0.000 0.452 97 V N -2.675 117.251 119.914 0.019 0.000 3.342 97 V HA 0.314 4.436 4.120 0.002 0.000 0.322 97 V C 0.607 176.773 176.094 0.119 0.000 1.370 97 V CA -0.087 62.242 62.300 0.048 0.000 1.170 97 V CB -0.989 30.823 31.823 -0.019 0.000 1.101 97 V HN 0.440 nan 8.190 nan 0.000 0.442 98 R N 0.885 121.471 120.500 0.143 0.000 2.207 98 R HA 0.441 4.782 4.340 0.002 0.000 0.334 98 R C -1.624 174.807 176.300 0.219 0.000 1.013 98 R CA -0.628 55.561 56.100 0.148 0.000 0.858 98 R CB 0.808 31.173 30.300 0.109 0.000 1.094 98 R HN 0.444 nan 8.270 nan 0.000 0.457 99 Y N 5.418 125.756 120.300 0.064 0.000 2.338 99 Y HA 0.235 4.785 4.550 0.001 0.000 0.333 99 Y C -0.688 175.241 175.900 0.048 0.000 0.968 99 Y CA -0.979 57.163 58.100 0.069 0.000 1.123 99 Y CB 1.214 39.724 38.460 0.084 0.000 1.165 99 Y HN 0.868 nan 8.280 nan 0.000 0.452 100 N N 3.956 122.373 118.700 -0.473 0.000 2.754 100 N HA -0.174 4.567 4.740 0.002 0.000 0.248 100 N C 0.743 176.164 175.510 -0.149 0.000 1.093 100 N CA 1.591 54.414 53.050 -0.378 0.000 0.699 100 N CB -1.314 36.902 38.487 -0.452 0.000 1.016 100 N HN 1.409 nan 8.380 nan 0.000 0.552 101 G N -1.298 107.453 108.800 -0.082 0.000 2.179 101 G HA2 -0.356 3.605 3.960 0.002 0.000 0.257 101 G HA3 -0.356 3.605 3.960 0.002 0.000 0.257 101 G C -0.043 174.843 174.900 -0.023 0.000 1.010 101 G CA 1.015 46.091 45.100 -0.041 0.000 0.736 101 G HN 0.566 nan 8.290 nan 0.000 0.513 102 K N -0.694 119.708 120.400 0.004 0.000 2.426 102 K HA 0.617 4.938 4.320 0.002 0.000 0.251 102 K C 0.165 176.792 176.600 0.046 0.000 0.941 102 K CA -1.018 55.280 56.287 0.018 0.000 0.808 102 K CB 1.810 34.329 32.500 0.032 0.000 1.265 102 K HN 0.086 nan 8.250 nan 0.000 0.432 103 L N 4.683 125.912 121.223 0.009 0.000 2.281 103 L HA 0.313 4.654 4.340 0.002 0.000 0.285 103 L C 1.194 178.068 176.870 0.005 0.000 1.074 103 L CA -0.057 54.794 54.840 0.018 0.000 0.817 103 L CB 0.299 42.335 42.059 -0.039 0.000 1.168 103 L HN 0.726 nan 8.230 nan 0.000 0.434 104 I N -0.459 120.123 120.570 0.019 0.000 4.288 104 I HA 0.548 4.720 4.170 0.002 0.000 0.331 104 I C 0.567 176.626 176.117 -0.097 0.000 1.322 104 I CA -0.087 61.222 61.300 0.015 0.000 1.149 104 I CB 0.626 38.692 38.000 0.111 0.000 1.112 104 I HN 0.517 nan 8.210 nan 0.000 0.403 105 A N 0.133 122.835 122.820 -0.195 0.000 2.588 105 A HA 0.716 5.037 4.320 0.002 0.000 0.290 105 A C -2.075 175.352 177.584 -0.262 0.000 1.136 105 A CA -0.425 51.417 52.037 -0.325 0.000 0.681 105 A CB 0.718 19.267 19.000 -0.752 0.000 1.282 105 A HN 0.151 nan 8.150 nan 0.000 0.421 106 Y N 0.560 120.762 120.300 -0.163 0.000 2.326 106 Y HA 0.472 5.025 4.550 0.005 0.000 0.337 106 Y C -2.205 173.561 175.900 -0.223 0.000 1.023 106 Y CA -1.865 56.169 58.100 -0.111 0.000 1.143 106 Y CB 1.306 39.753 38.460 -0.022 0.000 1.183 106 Y HN 0.374 nan 8.280 nan 0.000 0.485 107 P HA 0.106 nan 4.420 nan 0.000 0.275 107 P C -0.159 177.108 177.300 -0.055 0.000 1.228 107 P CA 0.127 63.117 63.100 -0.183 0.000 0.786 107 P CB 1.172 32.641 31.700 -0.384 0.000 0.927 108 I N 0.477 121.062 120.570 0.025 0.000 3.739 108 I HA 0.405 4.577 4.170 0.002 0.000 0.272 108 I C 0.754 176.931 176.117 0.100 0.000 1.167 108 I CA 0.241 61.604 61.300 0.105 0.000 1.386 108 I CB -0.965 37.161 38.000 0.209 0.000 1.490 108 I HN 0.298 nan 8.210 nan 0.000 0.452 109 A N 0.575 123.453 122.820 0.097 0.000 2.604 109 A HA 0.676 4.997 4.320 0.002 0.000 0.295 109 A C -1.273 176.365 177.584 0.091 0.000 1.067 109 A CA -0.380 51.709 52.037 0.086 0.000 0.683 109 A CB 1.493 20.550 19.000 0.095 0.000 1.281 109 A HN -0.163 nan 8.150 nan 0.000 0.407 110 V N 1.859 121.814 119.914 0.068 0.000 2.432 110 V HA 0.366 4.488 4.120 0.002 0.000 0.275 110 V C 0.045 176.197 176.094 0.096 0.000 1.043 110 V CA -0.096 62.264 62.300 0.101 0.000 0.925 110 V CB 0.930 32.775 31.823 0.036 0.000 0.985 110 V HN 0.888 nan 8.190 nan 0.000 0.466 111 E N 3.043 123.340 120.200 0.162 0.000 2.207 111 E HA 0.843 5.195 4.350 0.002 0.000 0.270 111 E C -0.474 176.252 176.600 0.210 0.000 0.927 111 E CA -0.658 55.851 56.400 0.182 0.000 0.799 111 E CB 2.283 32.162 29.700 0.298 0.000 1.172 111 E HN 0.841 nan 8.360 nan 0.000 0.404 112 A N 2.400 125.303 122.820 0.140 0.000 2.589 112 A HA 0.465 4.786 4.320 0.002 0.000 0.296 112 A C -1.357 176.252 177.584 0.042 0.000 1.062 112 A CA -0.745 51.375 52.037 0.138 0.000 0.686 112 A CB 0.798 19.861 19.000 0.106 0.000 1.282 112 A HN 0.519 nan 8.150 nan 0.000 0.404 113 L N 1.387 122.624 121.223 0.024 0.000 2.395 113 L HA 0.584 4.925 4.340 0.002 0.000 0.269 113 L C 0.586 177.455 176.870 -0.002 0.000 1.133 113 L CA 0.009 54.831 54.840 -0.029 0.000 0.812 113 L CB 1.508 43.525 42.059 -0.070 0.000 1.125 113 L HN 0.743 nan 8.230 nan 0.000 0.452 114 S N 1.463 117.167 115.700 0.007 0.000 2.704 114 S HA 0.580 5.052 4.470 0.002 0.000 0.296 114 S C -1.090 173.507 174.600 -0.004 0.000 1.138 114 S CA -0.638 57.579 58.200 0.028 0.000 0.875 114 S CB 2.015 65.270 63.200 0.093 0.000 1.151 114 S HN 0.390 nan 8.310 nan 0.000 0.500 115 L N 2.206 123.422 121.223 -0.011 0.000 2.265 115 L HA 0.592 4.933 4.340 0.002 0.000 0.288 115 L C -1.392 175.502 176.870 0.040 0.000 1.058 115 L CA 0.121 54.936 54.840 -0.041 0.000 0.809 115 L CB -0.058 41.946 42.059 -0.092 0.000 1.179 115 L HN 0.525 nan 8.230 nan 0.000 0.429 116 I N 6.599 127.146 120.570 -0.039 0.000 2.362 116 I HA 0.331 4.502 4.170 0.002 0.000 0.289 116 I C -1.006 175.128 176.117 0.028 0.000 0.994 116 I CA -0.762 60.505 61.300 -0.055 0.000 1.158 116 I CB 0.972 38.766 38.000 -0.344 0.000 1.315 116 I HN 0.589 nan 8.210 nan 0.000 0.451 117 Y N 4.080 124.451 120.300 0.117 0.000 2.485 117 Y HA 0.525 5.076 4.550 0.002 0.000 0.345 117 Y C -0.436 175.692 175.900 0.381 0.000 0.998 117 Y CA -1.746 56.500 58.100 0.243 0.000 1.059 117 Y CB 0.727 39.246 38.460 0.097 0.000 1.234 117 Y HN 0.453 nan 8.280 nan 0.000 0.461 118 N N 3.052 121.973 118.700 0.369 0.000 2.402 118 N HA 0.090 4.831 4.740 0.002 0.000 0.252 118 N C 0.206 175.765 175.510 0.081 0.000 1.118 118 N CA 0.042 53.141 53.050 0.082 0.000 0.945 118 N CB 0.809 39.250 38.487 -0.077 0.000 1.147 118 N HN 0.887 nan 8.380 nan 0.000 0.495 119 K N 1.827 122.211 120.400 -0.028 0.000 2.280 119 K HA -0.171 4.150 4.320 0.002 0.000 0.202 119 K C 0.872 177.495 176.600 0.038 0.000 1.047 119 K CA 1.116 57.423 56.287 0.033 0.000 0.942 119 K CB 0.198 32.659 32.500 -0.064 0.000 0.739 119 K HN 0.545 nan 8.250 nan 0.000 0.457 120 D N 1.117 121.517 120.400 -0.001 0.000 2.077 120 D HA -0.132 4.510 4.640 0.002 0.000 0.196 120 D C 1.686 177.995 176.300 0.014 0.000 0.986 120 D CA 1.225 55.221 54.000 -0.006 0.000 0.829 120 D CB -0.052 40.728 40.800 -0.033 0.000 0.983 120 D HN 0.057 nan 8.370 nan 0.000 0.453 121 L N -1.034 120.201 121.223 0.019 0.000 2.201 121 L HA 0.063 4.404 4.340 0.002 0.000 0.212 121 L C 0.630 177.534 176.870 0.057 0.000 1.105 121 L CA 0.306 55.165 54.840 0.031 0.000 0.775 121 L CB 0.087 42.163 42.059 0.028 0.000 0.913 121 L HN 0.137 nan 8.230 nan 0.000 0.440 122 L N -0.798 120.485 121.223 0.101 0.000 2.490 122 L HA 0.333 4.675 4.340 0.002 0.000 0.261 122 L C -2.170 174.800 176.870 0.167 0.000 1.232 122 L CA -1.091 53.816 54.840 0.112 0.000 0.892 122 L CB 0.974 43.108 42.059 0.125 0.000 1.085 122 L HN -0.267 nan 8.230 nan 0.000 0.491 123 P HA -0.094 nan 4.420 nan 0.000 0.215 123 P C -0.535 176.810 177.300 0.075 0.000 1.157 123 P CA 1.413 64.583 63.100 0.117 0.000 0.874 123 P CB 0.084 31.814 31.700 0.050 0.000 0.790 124 N N 0.173 118.861 118.700 -0.021 0.000 2.558 124 N HA 0.241 4.983 4.740 0.002 0.000 0.242 124 N C -2.608 172.781 175.510 -0.201 0.000 0.979 124 N CA -1.691 51.287 53.050 -0.119 0.000 0.931 124 N CB 0.787 39.228 38.487 -0.077 0.000 1.122 124 N HN 0.136 nan 8.380 nan 0.000 0.508 125 P HA 0.239 nan 4.420 nan 0.000 0.275 125 P C -2.601 174.533 177.300 -0.276 0.000 1.228 125 P CA -1.153 61.690 63.100 -0.429 0.000 0.786 125 P CB 0.209 31.401 31.700 -0.848 0.000 0.927 126 P HA 0.169 nan 4.420 nan 0.000 0.272 126 P C 0.844 178.038 177.300 -0.176 0.000 1.223 126 P CA -0.127 62.874 63.100 -0.165 0.000 0.784 126 P CB 0.529 32.138 31.700 -0.152 0.000 0.923 127 K N -0.155 120.168 120.400 -0.129 0.000 2.262 127 K HA 0.067 4.388 4.320 0.002 0.000 0.200 127 K C 0.856 177.395 176.600 -0.100 0.000 1.049 127 K CA 1.053 57.274 56.287 -0.110 0.000 0.979 127 K CB -0.162 32.292 32.500 -0.077 0.000 0.773 127 K HN 0.663 nan 8.250 nan 0.000 0.474 128 T N -3.961 110.539 114.554 -0.090 0.000 2.900 128 T HA 0.275 4.626 4.350 0.002 0.000 0.295 128 T C 0.432 175.115 174.700 -0.028 0.000 1.044 128 T CA -0.895 61.184 62.100 -0.034 0.000 0.995 128 T CB 1.059 69.927 68.868 -0.001 0.000 1.072 128 T HN 0.111 nan 8.240 nan 0.000 0.473 129 W N 0.993 122.285 121.300 -0.014 0.000 2.342 129 W HA 0.018 4.679 4.660 0.002 0.000 0.297 129 W C 2.123 178.743 176.519 0.169 0.000 1.213 129 W CA 1.297 58.668 57.345 0.044 0.000 1.251 129 W CB -0.323 29.062 29.460 -0.125 0.000 1.136 129 W HN 0.825 nan 8.180 nan 0.000 0.526 130 E N 0.073 120.423 120.200 0.250 0.000 2.209 130 E HA -0.216 4.135 4.350 0.002 0.000 0.196 130 E C 1.635 178.391 176.600 0.259 0.000 0.993 130 E CA 1.539 58.131 56.400 0.320 0.000 0.819 130 E CB -0.377 29.396 29.700 0.121 0.000 0.745 130 E HN 0.380 nan 8.360 nan 0.000 0.477 131 E N -0.047 120.238 120.200 0.142 0.000 2.274 131 E HA -0.095 4.257 4.350 0.002 0.000 0.194 131 E C 1.806 178.440 176.600 0.057 0.000 0.996 131 E CA 0.386 56.826 56.400 0.067 0.000 0.840 131 E CB 0.003 29.705 29.700 0.004 0.000 0.772 131 E HN 0.338 nan 8.360 nan 0.000 0.491 132 I N 1.088 121.722 120.570 0.107 0.000 2.202 132 I HA -0.170 4.002 4.170 0.002 0.000 0.242 132 I C -0.762 175.307 176.117 -0.080 0.000 1.091 132 I CA 0.969 62.292 61.300 0.039 0.000 1.368 132 I CB -1.540 36.530 38.000 0.117 0.000 1.058 132 I HN 0.041 nan 8.210 nan 0.000 0.410 133 P HA -0.203 nan 4.420 nan 0.000 0.216 133 P C 1.593 178.736 177.300 -0.261 0.000 1.153 133 P CA 2.037 64.896 63.100 -0.401 0.000 0.858 133 P CB -0.040 31.613 31.700 -0.077 0.000 0.789 134 A N -0.646 122.130 122.820 -0.073 0.000 1.865 134 A HA -0.207 4.114 4.320 0.002 0.000 0.217 134 A C 2.302 179.859 177.584 -0.045 0.000 1.191 134 A CA 1.549 53.569 52.037 -0.029 0.000 0.623 134 A CB -1.672 17.330 19.000 0.003 0.000 0.826 134 A HN 0.101 nan 8.150 nan 0.000 0.444 135 L N -0.716 120.474 121.223 -0.054 0.000 1.956 135 L HA -0.285 4.056 4.340 0.002 0.000 0.216 135 L C 2.513 179.355 176.870 -0.045 0.000 1.073 135 L CA 2.298 57.113 54.840 -0.041 0.000 0.762 135 L CB -0.626 41.411 42.059 -0.038 0.000 0.889 135 L HN 0.554 nan 8.230 nan 0.000 0.433 136 D N -0.379 119.961 120.400 -0.099 0.000 2.149 136 D HA -0.284 4.357 4.640 0.002 0.000 0.194 136 D C 2.174 178.482 176.300 0.013 0.000 1.001 136 D CA 1.655 55.621 54.000 -0.057 0.000 0.849 136 D CB 0.052 40.767 40.800 -0.142 0.000 0.939 136 D HN 0.112 nan 8.370 nan 0.000 0.449 137 K N 0.263 120.665 120.400 0.003 0.000 2.009 137 K HA -0.248 4.073 4.320 0.002 0.000 0.210 137 K C 2.168 178.792 176.600 0.041 0.000 1.049 137 K CA 1.665 57.994 56.287 0.070 0.000 0.929 137 K CB -0.236 32.309 32.500 0.074 0.000 0.714 137 K HN 0.240 nan 8.250 nan 0.000 0.440 138 E N 0.210 120.422 120.200 0.019 0.000 2.070 138 E HA -0.239 4.112 4.350 0.002 0.000 0.197 138 E C 1.952 178.563 176.600 0.019 0.000 1.004 138 E CA 1.393 57.802 56.400 0.016 0.000 0.805 138 E CB -0.030 29.674 29.700 0.007 0.000 0.744 138 E HN 0.202 nan 8.360 nan 0.000 0.451 139 L N 1.032 122.267 121.223 0.019 0.000 2.109 139 L HA -0.088 4.253 4.340 0.002 0.000 0.207 139 L C 2.324 179.211 176.870 0.029 0.000 1.086 139 L CA 1.342 56.196 54.840 0.023 0.000 0.760 139 L CB -0.408 41.667 42.059 0.026 0.000 0.910 139 L HN 0.009 nan 8.230 nan 0.000 0.437 140 K N -0.243 120.181 120.400 0.040 0.000 2.152 140 K HA -0.091 4.231 4.320 0.002 0.000 0.206 140 K C 2.123 178.741 176.600 0.030 0.000 1.048 140 K CA 1.315 57.627 56.287 0.042 0.000 0.933 140 K CB -0.642 31.894 32.500 0.060 0.000 0.721 140 K HN 0.320 nan 8.250 nan 0.000 0.447 141 A N 1.991 124.828 122.820 0.028 0.000 1.883 141 A HA -0.171 4.150 4.320 0.002 0.000 0.217 141 A C 1.796 179.390 177.584 0.015 0.000 1.186 141 A CA 1.542 53.591 52.037 0.020 0.000 0.624 141 A CB -0.233 18.779 19.000 0.019 0.000 0.822 141 A HN 0.177 nan 8.150 nan 0.000 0.444 142 K N -1.013 119.396 120.400 0.015 0.000 2.525 142 K HA 0.123 4.445 4.320 0.002 0.000 0.192 142 K C 1.056 177.662 176.600 0.010 0.000 1.029 142 K CA 0.753 57.047 56.287 0.011 0.000 1.029 142 K CB -0.302 32.204 32.500 0.010 0.000 0.814 142 K HN 0.877 nan 8.250 nan 0.000 0.503 143 G N 1.652 110.460 108.800 0.013 0.000 2.141 143 G HA2 -0.218 3.744 3.960 0.002 0.000 0.242 143 G HA3 -0.218 3.744 3.960 0.002 0.000 0.242 143 G C 0.103 175.011 174.900 0.014 0.000 0.982 143 G CA 0.189 45.296 45.100 0.012 0.000 0.662 143 G HN 0.180 nan 8.290 nan 0.000 0.527 144 K N -0.159 120.252 120.400 0.019 0.000 2.307 144 K HA 0.863 5.184 4.320 0.002 0.000 0.239 144 K C 0.338 176.960 176.600 0.035 0.000 1.083 144 K CA 0.085 56.386 56.287 0.022 0.000 0.913 144 K CB 1.446 33.957 32.500 0.019 0.000 1.322 144 K HN 0.721 nan 8.250 nan 0.000 0.514 145 S N -1.781 113.946 115.700 0.045 0.000 2.599 145 S HA 0.606 5.077 4.470 0.002 0.000 0.287 145 S C 0.566 175.206 174.600 0.067 0.000 1.105 145 S CA -0.336 57.899 58.200 0.058 0.000 0.899 145 S CB 1.789 65.028 63.200 0.064 0.000 1.100 145 S HN 0.539 nan 8.310 nan 0.000 0.482 146 A N 0.499 123.355 122.820 0.060 0.000 1.872 146 A HA 0.440 4.761 4.320 0.002 0.000 0.214 146 A C 0.565 178.200 177.584 0.086 0.000 1.187 146 A CA 1.233 53.303 52.037 0.054 0.000 0.614 146 A CB -0.613 18.395 19.000 0.013 0.000 0.826 146 A HN 1.154 nan 8.150 nan 0.000 0.442 147 L N -1.574 119.711 121.223 0.104 0.000 2.505 147 L HA 0.700 5.041 4.340 0.002 0.000 0.259 147 L C -1.433 175.523 176.870 0.145 0.000 0.952 147 L CA -0.196 54.729 54.840 0.141 0.000 0.840 147 L CB 1.850 44.006 42.059 0.162 0.000 1.358 147 L HN 0.291 nan 8.230 nan 0.000 0.409 148 M N 6.032 125.726 119.600 0.157 0.000 2.238 148 M HA 0.516 4.997 4.480 0.002 0.000 0.278 148 M C -1.545 174.828 176.300 0.122 0.000 1.040 148 M CA -0.308 55.036 55.300 0.073 0.000 0.969 148 M CB 1.858 34.483 32.600 0.043 0.000 1.694 148 M HN 0.595 nan 8.290 nan 0.000 0.472 149 F N 0.122 120.052 119.950 -0.033 0.000 2.692 149 F HA 0.665 5.193 4.527 0.002 0.000 0.320 149 F C -0.424 175.271 175.800 -0.175 0.000 1.123 149 F CA -1.270 56.654 58.000 -0.127 0.000 0.961 149 F CB 0.822 39.795 39.000 -0.044 0.000 1.383 149 F HN 0.438 nan 8.300 nan 0.000 0.483 150 N N 1.489 120.051 118.700 -0.230 0.000 2.440 150 N HA 0.117 4.859 4.740 0.002 0.000 0.265 150 N C 0.100 175.561 175.510 -0.082 0.000 1.239 150 N CA 0.167 53.038 53.050 -0.297 0.000 0.909 150 N CB 0.607 38.725 38.487 -0.615 0.000 1.066 150 N HN 0.817 nan 8.380 nan 0.000 0.474 151 L N 2.177 123.338 121.223 -0.103 0.000 2.590 151 L HA 0.105 4.446 4.340 0.002 0.000 0.227 151 L C 1.537 178.465 176.870 0.095 0.000 1.099 151 L CA 0.052 54.881 54.840 -0.018 0.000 0.872 151 L CB 0.007 41.984 42.059 -0.136 0.000 1.088 151 L HN 0.439 nan 8.230 nan 0.000 0.479 152 Q N 0.219 120.073 119.800 0.090 0.000 2.436 152 Q HA 0.063 4.404 4.340 0.002 0.000 0.209 152 Q C 0.123 176.225 176.000 0.170 0.000 0.965 152 Q CA 0.803 56.672 55.803 0.110 0.000 0.910 152 Q CB 0.141 28.929 28.738 0.083 0.000 0.980 152 Q HN 0.348 nan 8.270 nan 0.000 0.491 153 E N 0.070 120.438 120.200 0.281 0.000 2.210 153 E HA 0.219 4.570 4.350 0.002 0.000 0.266 153 E C -1.937 174.907 176.600 0.407 0.000 0.883 153 E CA -2.155 54.443 56.400 0.331 0.000 0.761 153 E CB 1.909 31.884 29.700 0.458 0.000 1.156 153 E HN -0.180 nan 8.360 nan 0.000 0.412 154 P HA -0.138 nan 4.420 nan 0.000 0.218 154 P C 1.324 178.901 177.300 0.460 0.000 1.149 154 P CA 0.816 64.150 63.100 0.391 0.000 0.817 154 P CB 0.040 32.008 31.700 0.448 0.000 0.785 155 Y N -0.143 120.167 120.300 0.017 0.000 2.181 155 Y HA -0.258 4.293 4.550 0.002 0.000 0.284 155 Y C 1.812 177.745 175.900 0.055 0.000 1.179 155 Y CA 1.666 59.698 58.100 -0.113 0.000 1.179 155 Y CB -1.044 37.084 38.460 -0.554 0.000 0.973 155 Y HN -0.141 nan 8.280 nan 0.000 0.519 156 F N -1.054 119.068 119.950 0.287 0.000 2.270 156 F HA -0.049 4.480 4.527 0.003 0.000 0.295 156 F C 2.590 178.491 175.800 0.168 0.000 1.087 156 F CA 1.474 59.596 58.000 0.203 0.000 1.365 156 F CB -0.889 38.365 39.000 0.424 0.000 1.056 156 F HN 0.083 nan 8.300 nan 0.000 0.506 157 T N -2.903 111.954 114.554 0.505 0.000 3.081 157 T HA -0.133 4.219 4.350 0.002 0.000 0.250 157 T C 1.726 176.562 174.700 0.228 0.000 1.100 157 T CA -0.056 62.274 62.100 0.383 0.000 1.038 157 T CB -0.608 68.504 68.868 0.408 0.000 0.962 157 T HN 0.541 nan 8.240 nan 0.000 0.516 158 W N 2.623 123.991 121.300 0.114 0.000 2.436 158 W HA 0.069 4.732 4.660 0.004 0.000 0.284 158 W C -1.898 174.589 176.519 -0.054 0.000 1.225 158 W CA 0.202 57.590 57.345 0.071 0.000 1.271 158 W CB -0.831 28.771 29.460 0.237 0.000 1.114 158 W HN 0.286 nan 8.180 nan 0.000 0.559 159 P HA -0.196 nan 4.420 nan 0.000 0.219 159 P C 1.761 178.901 177.300 -0.267 0.000 1.146 159 P CA 1.462 64.477 63.100 -0.142 0.000 0.808 159 P CB -0.338 31.357 31.700 -0.008 0.000 0.779 160 L N -1.184 119.837 121.223 -0.337 0.000 2.127 160 L HA 0.041 4.382 4.340 0.002 0.000 0.203 160 L C 2.109 178.608 176.870 -0.619 0.000 1.080 160 L CA 1.447 55.934 54.840 -0.587 0.000 0.768 160 L CB -1.114 40.392 42.059 -0.921 0.000 0.924 160 L HN -0.168 nan 8.230 nan 0.000 0.444 161 I N 0.162 120.395 120.570 -0.561 0.000 2.208 161 I HA -0.289 3.882 4.170 0.002 0.000 0.245 161 I C 2.459 178.160 176.117 -0.694 0.000 1.097 161 I CA 1.353 62.309 61.300 -0.574 0.000 1.363 161 I CB -0.519 37.181 38.000 -0.500 0.000 1.051 161 I HN 0.370 nan 8.210 nan 0.000 0.413 162 A N 0.346 122.592 122.820 -0.957 0.000 2.119 162 A HA 0.057 4.378 4.320 0.002 0.000 0.216 162 A C 2.497 179.852 177.584 -0.382 0.000 1.152 162 A CA 1.168 52.704 52.037 -0.836 0.000 0.708 162 A CB -0.559 17.815 19.000 -1.044 0.000 0.805 162 A HN 0.403 nan 8.150 nan 0.000 0.460 163 A N 0.126 122.764 122.820 -0.303 0.000 1.873 163 A HA -0.224 4.097 4.320 0.002 0.000 0.218 163 A C 1.655 179.226 177.584 -0.022 0.000 1.193 163 A CA 2.086 54.058 52.037 -0.108 0.000 0.629 163 A CB -0.451 18.532 19.000 -0.028 0.000 0.826 163 A HN 0.400 nan 8.150 nan 0.000 0.447 164 D N -2.604 117.807 120.400 0.019 0.000 2.491 164 D HA 0.390 5.031 4.640 0.002 0.000 0.228 164 D C 0.786 177.092 176.300 0.010 0.000 1.183 164 D CA 0.925 54.954 54.000 0.048 0.000 0.827 164 D CB -0.041 40.845 40.800 0.143 0.000 0.989 164 D HN 0.489 nan 8.370 nan 0.000 0.494 165 G N -1.199 107.589 108.800 -0.020 0.000 2.672 165 G HA2 -0.078 3.883 3.960 0.002 0.000 0.197 165 G HA3 -0.078 3.883 3.960 0.002 0.000 0.197 165 G C 0.766 175.699 174.900 0.056 0.000 0.995 165 G CA -0.253 44.866 45.100 0.031 0.000 0.754 165 G HN 0.500 nan 8.290 nan 0.000 0.505 166 G N 0.677 109.413 108.800 -0.108 0.000 2.380 166 G HA2 0.602 4.563 3.960 0.002 0.000 0.242 166 G HA3 0.602 4.563 3.960 0.002 0.000 0.242 166 G C -0.195 174.681 174.900 -0.040 0.000 1.298 166 G CA 0.818 45.793 45.100 -0.209 0.000 0.878 166 G HN 1.479 nan 8.290 nan 0.000 0.542 167 Y N -0.867 119.475 120.300 0.070 0.000 2.655 167 Y HA 0.758 5.309 4.550 0.002 0.000 0.336 167 Y C 0.617 176.688 175.900 0.286 0.000 1.154 167 Y CA -0.801 57.441 58.100 0.238 0.000 1.055 167 Y CB 0.783 39.322 38.460 0.131 0.000 1.295 167 Y HN 0.647 nan 8.280 nan 0.000 0.465 168 A N 1.072 123.998 122.820 0.177 0.000 1.991 168 A HA 0.411 4.732 4.320 0.002 0.000 0.217 168 A C -0.526 176.772 177.584 -0.477 0.000 1.487 168 A CA 0.638 52.308 52.037 -0.611 0.000 0.603 168 A CB -0.508 17.641 19.000 -1.417 0.000 1.112 168 A HN 0.537 nan 8.150 nan 0.000 0.492 169 F N 0.597 120.615 119.950 0.113 0.000 2.444 169 F HA 0.434 4.963 4.527 0.004 0.000 0.342 169 F C 0.424 176.477 175.800 0.421 0.000 1.121 169 F CA -0.910 57.241 58.000 0.251 0.000 0.997 169 F CB 1.322 40.360 39.000 0.063 0.000 1.130 169 F HN 0.101 nan 8.300 nan 0.000 0.454 170 K N 1.650 122.371 120.400 0.535 0.000 2.414 170 K HA -0.018 4.303 4.320 0.002 0.000 0.272 170 K C -1.066 175.708 176.600 0.291 0.000 0.993 170 K CA -0.013 56.397 56.287 0.204 0.000 0.964 170 K CB 0.526 33.052 32.500 0.044 0.000 0.925 170 K HN 0.664 nan 8.250 nan 0.000 0.487 171 Y N 1.604 121.940 120.300 0.061 0.000 2.594 171 Y HA 0.297 4.847 4.550 0.001 0.000 0.342 171 Y C -0.607 175.240 175.900 -0.089 0.000 1.010 171 Y CA -0.543 57.498 58.100 -0.098 0.000 1.270 171 Y CB 0.618 38.967 38.460 -0.185 0.000 1.125 171 Y HN 0.534 nan 8.280 nan 0.000 0.513 172 A N 5.118 127.810 122.820 -0.214 0.000 2.273 172 A HA 0.661 4.982 4.320 0.002 0.000 0.320 172 A C 0.480 177.951 177.584 -0.188 0.000 1.358 172 A CA -0.202 51.767 52.037 -0.114 0.000 0.910 172 A CB -0.513 18.448 19.000 -0.065 0.000 1.159 172 A HN 1.711 nan 8.150 nan 0.000 0.526 173 A N 2.089 124.865 122.820 -0.072 0.000 2.475 173 A HA 0.290 4.612 4.320 0.002 0.000 0.295 173 A C 1.775 179.276 177.584 -0.139 0.000 1.457 173 A CA 1.298 53.301 52.037 -0.057 0.000 0.734 173 A CB -1.628 17.337 19.000 -0.058 0.000 1.118 173 A HN 3.040 nan 8.150 nan 0.000 0.400 174 G N -1.828 106.914 108.800 -0.097 0.000 2.155 174 G HA2 0.184 4.146 3.960 0.002 0.000 0.257 174 G HA3 0.184 4.146 3.960 0.002 0.000 0.257 174 G C 0.368 174.930 174.900 -0.565 0.000 0.983 174 G CA 1.806 46.835 45.100 -0.119 0.000 0.676 174 G HN 2.849 nan 8.290 nan 0.000 0.528 175 K N -1.806 117.976 120.400 -1.030 0.000 2.556 175 K HA 0.699 5.020 4.320 0.002 0.000 0.274 175 K C -0.852 175.222 176.600 -0.877 0.000 0.966 175 K CA -1.321 54.482 56.287 -0.807 0.000 0.865 175 K CB 0.968 33.259 32.500 -0.348 0.000 1.444 175 K HN 0.661 nan 8.250 nan 0.000 0.433 176 Y N 0.965 121.048 120.300 -0.362 0.000 2.336 176 Y HA 0.340 4.891 4.550 0.001 0.000 0.335 176 Y C 0.494 176.307 175.900 -0.145 0.000 1.046 176 Y CA -0.451 57.544 58.100 -0.174 0.000 1.198 176 Y CB 1.280 39.693 38.460 -0.077 0.000 1.182 176 Y HN 0.845 nan 8.280 nan 0.000 0.502 177 D N 4.765 125.226 120.400 0.102 0.000 2.453 177 D HA 0.050 4.691 4.640 0.002 0.000 0.223 177 D C 0.865 177.233 176.300 0.114 0.000 1.183 177 D CA -0.245 53.795 54.000 0.068 0.000 0.933 177 D CB 0.167 41.016 40.800 0.082 0.000 1.038 177 D HN 0.649 nan 8.370 nan 0.000 0.513 178 I N 0.257 120.789 120.570 -0.064 0.000 3.369 178 I HA 0.021 4.192 4.170 0.002 0.000 0.288 178 I C 1.025 177.205 176.117 0.106 0.000 1.321 178 I CA 0.469 61.657 61.300 -0.186 0.000 1.358 178 I CB 0.112 37.840 38.000 -0.452 0.000 1.038 178 I HN -0.061 nan 8.210 nan 0.000 0.516 179 K N 0.499 120.976 120.400 0.128 0.000 2.355 179 K HA 0.163 4.484 4.320 0.002 0.000 0.198 179 K C -0.036 176.672 176.600 0.180 0.000 1.039 179 K CA 0.245 56.613 56.287 0.135 0.000 1.075 179 K CB 0.147 32.693 32.500 0.077 0.000 0.870 179 K HN 0.292 nan 8.250 nan 0.000 0.540 180 D N 1.521 122.068 120.400 0.244 0.000 2.499 180 D HA 0.120 4.762 4.640 0.002 0.000 0.225 180 D C -1.117 175.413 176.300 0.383 0.000 1.124 180 D CA -0.311 53.859 54.000 0.283 0.000 0.938 180 D CB 0.377 41.339 40.800 0.270 0.000 1.014 180 D HN -0.301 nan 8.370 nan 0.000 0.517 181 V N 2.364 122.413 119.914 0.225 0.000 2.398 181 V HA 0.589 4.710 4.120 0.002 0.000 0.286 181 V C 1.179 177.132 176.094 -0.235 0.000 1.026 181 V CA -0.725 61.601 62.300 0.043 0.000 0.868 181 V CB 1.867 33.728 31.823 0.064 0.000 0.982 181 V HN 0.567 nan 8.190 nan 0.000 0.443 182 G N 2.885 111.176 108.800 -0.850 0.000 4.420 182 G HA2 0.357 4.318 3.960 0.002 0.000 0.299 182 G HA3 0.357 4.318 3.960 0.002 0.000 0.299 182 G C 0.565 175.145 174.900 -0.534 0.000 1.343 182 G CA 0.332 44.719 45.100 -1.188 0.000 1.272 182 G HN 0.834 nan 8.290 nan 0.000 0.610 183 V N -2.953 116.840 119.914 -0.202 0.000 3.578 183 V HA 0.303 4.425 4.120 0.002 0.000 0.290 183 V C 0.693 176.760 176.094 -0.046 0.000 1.376 183 V CA 0.685 62.965 62.300 -0.032 0.000 1.083 183 V CB 0.882 32.761 31.823 0.094 0.000 0.911 183 V HN 0.172 nan 8.190 nan 0.000 0.433 184 D N 1.465 121.825 120.400 -0.067 0.000 2.535 184 D HA 0.162 4.803 4.640 0.002 0.000 0.229 184 D C 0.443 176.728 176.300 -0.026 0.000 1.238 184 D CA -0.095 53.886 54.000 -0.031 0.000 0.824 184 D CB 0.062 40.855 40.800 -0.012 0.000 1.045 184 D HN 0.759 nan 8.370 nan 0.000 0.500 185 N N -0.547 118.127 118.700 -0.043 0.000 2.413 185 N HA 0.352 5.093 4.740 0.002 0.000 0.266 185 N C 1.376 176.884 175.510 -0.004 0.000 1.238 185 N CA 0.017 53.061 53.050 -0.011 0.000 0.972 185 N CB 0.397 38.888 38.487 0.008 0.000 1.210 185 N HN -0.158 nan 8.380 nan 0.000 0.547 186 A N -0.096 122.733 122.820 0.015 0.000 1.927 186 A HA -0.124 4.197 4.320 0.002 0.000 0.220 186 A C 2.024 179.620 177.584 0.021 0.000 1.185 186 A CA 2.322 54.371 52.037 0.020 0.000 0.639 186 A CB -1.850 17.166 19.000 0.026 0.000 0.820 186 A HN 0.822 nan 8.150 nan 0.000 0.451 187 G N -0.820 107.989 108.800 0.014 0.000 2.453 187 G HA2 -0.000 3.961 3.960 0.002 0.000 0.215 187 G HA3 -0.000 3.961 3.960 0.002 0.000 0.215 187 G C 1.841 176.716 174.900 -0.042 0.000 1.201 187 G CA 1.741 46.847 45.100 0.010 0.000 0.784 187 G HN 0.925 nan 8.290 nan 0.000 0.545 188 A N 0.977 123.742 122.820 -0.093 0.000 1.892 188 A HA -0.141 4.180 4.320 0.002 0.000 0.218 188 A C 2.318 179.842 177.584 -0.101 0.000 1.188 188 A CA 2.323 54.273 52.037 -0.146 0.000 0.631 188 A CB -0.490 18.433 19.000 -0.129 0.000 0.822 188 A HN 0.427 nan 8.150 nan 0.000 0.447 189 K N -0.448 119.925 120.400 -0.046 0.000 2.009 189 K HA -0.104 4.217 4.320 0.002 0.000 0.210 189 K C 2.385 178.983 176.600 -0.003 0.000 1.049 189 K CA 1.250 57.525 56.287 -0.019 0.000 0.929 189 K CB -0.463 32.039 32.500 0.004 0.000 0.714 189 K HN 0.448 nan 8.250 nan 0.000 0.440 190 A N 1.456 124.301 122.820 0.041 0.000 1.903 190 A HA -0.191 4.130 4.320 0.002 0.000 0.219 190 A C 2.456 180.058 177.584 0.030 0.000 1.191 190 A CA 2.297 54.421 52.037 0.146 0.000 0.638 190 A CB -1.499 17.659 19.000 0.263 0.000 0.823 190 A HN 0.479 nan 8.150 nan 0.000 0.451 191 G N -0.585 108.084 108.800 -0.217 0.000 2.433 191 G HA2 -0.116 3.845 3.960 0.002 0.000 0.216 191 G HA3 -0.116 3.845 3.960 0.002 0.000 0.216 191 G C 1.464 176.127 174.900 -0.395 0.000 1.186 191 G CA 1.147 45.865 45.100 -0.636 0.000 0.779 191 G HN 0.475 nan 8.290 nan 0.000 0.543 192 L N 1.167 122.261 121.223 -0.215 0.000 2.083 192 L HA -0.004 4.337 4.340 0.002 0.000 0.209 192 L C 2.906 179.736 176.870 -0.067 0.000 1.083 192 L CA 2.398 57.166 54.840 -0.119 0.000 0.752 192 L CB -1.112 40.909 42.059 -0.063 0.000 0.899 192 L HN 0.209 nan 8.230 nan 0.000 0.433 193 T N -0.625 113.910 114.554 -0.032 0.000 2.652 193 T HA -0.257 4.094 4.350 0.002 0.000 0.267 193 T C 1.674 176.398 174.700 0.040 0.000 1.039 193 T CA 1.978 64.090 62.100 0.020 0.000 1.153 193 T CB -0.625 68.283 68.868 0.067 0.000 0.863 193 T HN 0.364 nan 8.240 nan 0.000 0.428 194 F N 1.351 121.247 119.950 -0.090 0.000 2.120 194 F HA -0.111 4.417 4.527 0.002 0.000 0.300 194 F C 2.010 177.766 175.800 -0.073 0.000 1.095 194 F CA 0.891 58.858 58.000 -0.055 0.000 1.249 194 F CB -0.452 38.466 39.000 -0.137 0.000 0.995 194 F HN 0.048 nan 8.300 nan 0.000 0.480 195 L N -0.386 120.822 121.223 -0.025 0.000 2.017 195 L HA -0.167 4.175 4.340 0.002 0.000 0.208 195 L C 2.240 179.079 176.870 -0.052 0.000 1.073 195 L CA 1.670 56.485 54.840 -0.041 0.000 0.745 195 L CB -0.891 41.138 42.059 -0.051 0.000 0.894 195 L HN 0.023 nan 8.230 nan 0.000 0.432 196 V N -0.067 119.817 119.914 -0.050 0.000 2.295 196 V HA -0.297 3.825 4.120 0.002 0.000 0.246 196 V C 2.296 178.349 176.094 -0.069 0.000 1.049 196 V CA 1.952 64.225 62.300 -0.045 0.000 1.024 196 V CB -0.872 30.933 31.823 -0.030 0.000 0.648 196 V HN 0.470 nan 8.190 nan 0.000 0.447 197 D N 0.128 120.468 120.400 -0.100 0.000 2.133 197 D HA -0.183 4.458 4.640 0.002 0.000 0.195 197 D C 2.151 178.369 176.300 -0.137 0.000 0.997 197 D CA 1.302 55.226 54.000 -0.127 0.000 0.840 197 D CB -0.317 40.382 40.800 -0.169 0.000 0.947 197 D HN 0.343 nan 8.370 nan 0.000 0.452 198 L N 0.466 121.591 121.223 -0.164 0.000 2.013 198 L HA -0.197 4.144 4.340 0.002 0.000 0.212 198 L C 2.565 179.428 176.870 -0.012 0.000 1.073 198 L CA 0.894 55.715 54.840 -0.032 0.000 0.753 198 L CB -0.320 41.753 42.059 0.024 0.000 0.890 198 L HN 0.071 nan 8.230 nan 0.000 0.432 199 I N -0.661 119.885 120.570 -0.039 0.000 2.142 199 I HA -0.267 3.905 4.170 0.002 0.000 0.240 199 I C 2.510 178.581 176.117 -0.077 0.000 1.078 199 I CA 1.068 62.339 61.300 -0.048 0.000 1.343 199 I CB -0.433 37.541 38.000 -0.044 0.000 1.046 199 I HN 0.209 nan 8.210 nan 0.000 0.405 200 K N 0.893 121.246 120.400 -0.079 0.000 2.218 200 K HA -0.159 4.163 4.320 0.002 0.000 0.205 200 K C 1.098 177.623 176.600 -0.124 0.000 1.046 200 K CA 1.170 57.407 56.287 -0.083 0.000 0.933 200 K CB -0.562 31.898 32.500 -0.067 0.000 0.728 200 K HN 0.364 nan 8.250 nan 0.000 0.454 201 N N 0.818 119.404 118.700 -0.191 0.000 2.276 201 N HA 0.001 4.742 4.740 0.002 0.000 0.212 201 N C -0.291 174.917 175.510 -0.503 0.000 1.127 201 N CA 0.034 52.876 53.050 -0.346 0.000 0.834 201 N CB 0.557 38.791 38.487 -0.421 0.000 1.014 201 N HN -0.022 nan 8.380 nan 0.000 0.491 202 K N -0.583 119.653 120.400 -0.273 0.000 3.407 202 K HA -0.194 4.127 4.320 0.002 0.000 0.312 202 K C 0.337 176.867 176.600 -0.117 0.000 1.302 202 K CA 0.657 56.837 56.287 -0.177 0.000 0.931 202 K CB -1.923 30.489 32.500 -0.146 0.000 1.257 202 K HN 0.455 nan 8.250 nan 0.000 0.454 203 H N -0.478 118.585 119.070 -0.012 0.000 2.470 203 H HA 0.168 4.725 4.556 0.002 0.000 0.289 203 H C 1.448 176.781 175.328 0.009 0.000 1.033 203 H CA 1.522 57.573 56.048 0.005 0.000 1.331 203 H CB 0.177 29.945 29.762 0.011 0.000 1.414 203 H HN 0.570 nan 8.280 nan 0.000 0.545 204 M N -0.824 118.831 119.600 0.092 0.000 2.843 204 M HA 0.450 4.932 4.480 0.002 0.000 0.273 204 M C -1.466 174.819 176.300 -0.024 0.000 1.286 204 M CA -1.125 54.188 55.300 0.021 0.000 0.807 204 M CB 2.174 34.769 32.600 -0.007 0.000 1.684 204 M HN -0.313 nan 8.290 nan 0.000 0.458 205 N N 0.503 119.173 118.700 -0.051 0.000 2.372 205 N HA 0.506 5.248 4.740 0.002 0.000 0.285 205 N C 0.319 175.788 175.510 -0.068 0.000 1.008 205 N CA -0.270 52.749 53.050 -0.051 0.000 0.880 205 N CB 1.857 40.321 38.487 -0.038 0.000 1.239 205 N HN 0.894 nan 8.380 nan 0.000 0.484 206 A N 1.484 124.272 122.820 -0.053 0.000 2.032 206 A HA -0.226 4.095 4.320 0.002 0.000 0.221 206 A C 1.372 178.929 177.584 -0.044 0.000 1.165 206 A CA 1.747 53.755 52.037 -0.049 0.000 0.645 206 A CB -0.309 18.673 19.000 -0.030 0.000 0.807 206 A HN 0.754 nan 8.150 nan 0.000 0.453 207 D N -1.026 119.351 120.400 -0.038 0.000 2.347 207 D HA -0.022 4.620 4.640 0.002 0.000 0.213 207 D C 0.113 176.391 176.300 -0.035 0.000 0.985 207 D CA 0.585 54.569 54.000 -0.027 0.000 0.879 207 D CB -1.111 39.678 40.800 -0.018 0.000 0.919 207 D HN 0.192 nan 8.370 nan 0.000 0.526 208 T N 2.853 117.369 114.554 -0.063 0.000 2.792 208 T HA 0.127 4.478 4.350 0.002 0.000 0.286 208 T C 0.140 174.790 174.700 -0.082 0.000 0.970 208 T CA 0.153 62.205 62.100 -0.081 0.000 1.187 208 T CB 0.594 69.383 68.868 -0.131 0.000 0.915 208 T HN 0.374 nan 8.240 nan 0.000 0.529 209 D N 1.987 122.361 120.400 -0.043 0.000 2.627 209 D HA 0.140 4.781 4.640 0.002 0.000 0.259 209 D C 1.154 177.447 176.300 -0.012 0.000 1.164 209 D CA -0.920 53.074 54.000 -0.010 0.000 1.087 209 D CB 0.087 40.910 40.800 0.038 0.000 1.217 209 D HN 0.343 nan 8.370 nan 0.000 0.630 210 Y N 0.520 120.769 120.300 -0.085 0.000 2.070 210 Y HA -0.230 4.322 4.550 0.003 0.000 0.279 210 Y C 2.746 178.630 175.900 -0.025 0.000 1.134 210 Y CA 3.535 61.582 58.100 -0.089 0.000 1.113 210 Y CB -0.476 37.964 38.460 -0.033 0.000 0.981 210 Y HN 0.447 nan 8.280 nan 0.000 0.487 211 S N 0.000 115.847 115.700 0.245 0.000 2.370 211 S HA -0.250 4.221 4.470 0.002 0.000 0.226 211 S C 2.014 176.639 174.600 0.041 0.000 1.033 211 S CA 1.710 60.008 58.200 0.164 0.000 1.011 211 S CB -1.198 62.094 63.200 0.154 0.000 0.852 211 S HN 0.543 nan 8.310 nan 0.000 0.457 212 I N 2.400 122.983 120.570 0.022 0.000 2.163 212 I HA -0.194 3.977 4.170 0.002 0.000 0.243 212 I C 3.070 179.172 176.117 -0.025 0.000 1.085 212 I CA 1.296 62.595 61.300 -0.002 0.000 1.347 212 I CB -0.649 37.346 38.000 -0.008 0.000 1.044 212 I HN 0.441 nan 8.210 nan 0.000 0.408 213 A N 0.090 122.865 122.820 -0.074 0.000 1.873 213 A HA -0.264 4.057 4.320 0.002 0.000 0.215 213 A C 2.308 179.852 177.584 -0.066 0.000 1.186 213 A CA 1.892 53.879 52.037 -0.084 0.000 0.616 213 A CB -0.681 18.227 19.000 -0.153 0.000 0.823 213 A HN 0.492 nan 8.150 nan 0.000 0.442 214 E N -0.069 120.036 120.200 -0.157 0.000 2.058 214 E HA -0.170 4.182 4.350 0.002 0.000 0.194 214 E C 2.147 178.767 176.600 0.034 0.000 0.997 214 E CA 1.245 57.590 56.400 -0.092 0.000 0.801 214 E CB -0.291 29.330 29.700 -0.131 0.000 0.746 214 E HN 0.519 nan 8.360 nan 0.000 0.450 215 A N 1.219 124.054 122.820 0.025 0.000 1.883 215 A HA -0.143 4.178 4.320 0.002 0.000 0.217 215 A C 2.433 180.038 177.584 0.036 0.000 1.186 215 A CA 2.048 54.105 52.037 0.035 0.000 0.624 215 A CB -0.939 18.079 19.000 0.029 0.000 0.822 215 A HN 0.445 nan 8.150 nan 0.000 0.444 216 A N -1.341 121.504 122.820 0.042 0.000 1.883 216 A HA -0.082 4.240 4.320 0.002 0.000 0.217 216 A C 2.094 179.720 177.584 0.071 0.000 1.186 216 A CA 1.751 53.817 52.037 0.047 0.000 0.624 216 A CB -0.714 18.317 19.000 0.051 0.000 0.822 216 A HN 0.681 nan 8.150 nan 0.000 0.444 217 F N 1.216 121.146 119.950 -0.034 0.000 2.163 217 F HA -0.102 4.427 4.527 0.003 0.000 0.297 217 F C 1.769 177.550 175.800 -0.032 0.000 1.094 217 F CA 1.825 59.806 58.000 -0.032 0.000 1.290 217 F CB -0.202 38.768 39.000 -0.050 0.000 1.017 217 F HN 0.205 nan 8.300 nan 0.000 0.483 218 N N 0.461 119.179 118.700 0.031 0.000 2.453 218 N HA -0.089 4.652 4.740 0.002 0.000 0.183 218 N C 1.036 176.493 175.510 -0.089 0.000 1.041 218 N CA 0.973 53.996 53.050 -0.044 0.000 0.900 218 N CB -0.266 38.248 38.487 0.045 0.000 0.961 218 N HN 0.381 nan 8.380 nan 0.000 0.443 219 K N -0.470 119.884 120.400 -0.076 0.000 2.372 219 K HA 0.230 4.551 4.320 0.002 0.000 0.200 219 K C 0.429 176.970 176.600 -0.098 0.000 1.022 219 K CA 0.117 56.365 56.287 -0.065 0.000 1.125 219 K CB 0.597 33.080 32.500 -0.028 0.000 0.855 219 K HN 0.089 nan 8.250 nan 0.000 0.524 220 G N 2.331 111.024 108.800 -0.177 0.000 2.225 220 G HA2 -0.282 3.680 3.960 0.002 0.000 0.264 220 G HA3 -0.282 3.680 3.960 0.002 0.000 0.264 220 G C 0.271 175.106 174.900 -0.108 0.000 1.060 220 G CA 0.367 45.350 45.100 -0.195 0.000 0.833 220 G HN 0.466 nan 8.290 nan 0.000 0.498 221 E N -1.235 118.924 120.200 -0.069 0.000 2.364 221 E HA 0.179 4.530 4.350 0.002 0.000 0.196 221 E C 1.071 177.680 176.600 0.015 0.000 0.990 221 E CA 0.886 57.275 56.400 -0.018 0.000 0.886 221 E CB 0.650 30.349 29.700 -0.002 0.000 0.866 221 E HN 0.327 nan 8.360 nan 0.000 0.493 222 T N -1.367 113.212 114.554 0.042 0.000 2.900 222 T HA 0.483 4.835 4.350 0.002 0.000 0.295 222 T C 0.307 175.106 174.700 0.166 0.000 1.044 222 T CA -0.210 61.955 62.100 0.109 0.000 0.995 222 T CB 1.656 70.613 68.868 0.148 0.000 1.072 222 T HN -0.017 nan 8.240 nan 0.000 0.473 223 A N 4.134 127.049 122.820 0.159 0.000 2.066 223 A HA 0.393 4.715 4.320 0.002 0.000 0.218 223 A C 0.792 178.586 177.584 0.350 0.000 1.157 223 A CA 0.863 53.017 52.037 0.194 0.000 0.670 223 A CB -0.240 18.835 19.000 0.125 0.000 0.804 223 A HN 0.737 nan 8.150 nan 0.000 0.453 224 M N -2.025 117.762 119.600 0.311 0.000 2.520 224 M HA 0.429 4.910 4.480 0.002 0.000 0.283 224 M C -0.694 175.633 176.300 0.044 0.000 1.237 224 M CA -0.210 55.205 55.300 0.192 0.000 0.885 224 M CB 2.575 35.224 32.600 0.081 0.000 1.727 224 M HN 0.080 nan 8.290 nan 0.000 0.468 225 T N 1.350 115.761 114.554 -0.240 0.000 2.812 225 T HA 0.834 5.185 4.350 0.002 0.000 0.294 225 T C -1.918 172.674 174.700 -0.181 0.000 1.159 225 T CA -0.540 61.431 62.100 -0.215 0.000 1.008 225 T CB 1.464 70.060 68.868 -0.453 0.000 1.289 225 T HN 0.584 nan 8.240 nan 0.000 0.514 226 I N 3.408 123.934 120.570 -0.074 0.000 2.447 226 I HA 0.552 4.724 4.170 0.002 0.000 0.287 226 I C -0.255 175.917 176.117 0.092 0.000 1.023 226 I CA -0.732 60.530 61.300 -0.064 0.000 1.083 226 I CB 1.795 39.669 38.000 -0.209 0.000 1.245 226 I HN 0.518 nan 8.210 nan 0.000 0.434 227 N N 2.914 121.648 118.700 0.057 0.000 3.308 227 N HA 0.559 5.300 4.740 0.002 0.000 0.276 227 N C -1.098 174.274 175.510 -0.231 0.000 1.533 227 N CA -0.380 52.738 53.050 0.113 0.000 0.878 227 N CB 2.354 40.840 38.487 -0.002 0.000 1.566 227 N HN 0.646 nan 8.380 nan 0.000 0.546 228 G N -0.041 108.233 108.800 -0.877 0.000 2.537 228 G HA2 0.510 4.471 3.960 0.002 0.000 0.323 228 G HA3 0.510 4.471 3.960 0.002 0.000 0.323 228 G C -1.963 171.798 174.900 -1.898 0.000 1.207 228 G CA -1.241 42.863 45.100 -1.660 0.000 0.976 228 G HN 0.315 nan 8.290 nan 0.000 0.487 229 P HA -0.165 nan 4.420 nan 0.000 0.217 229 P C 1.474 177.918 177.300 -1.427 0.000 1.151 229 P CA 1.936 63.627 63.100 -2.348 0.000 0.849 229 P CB -0.037 30.802 31.700 -1.434 0.000 0.787 230 W N 0.099 121.080 121.300 -0.533 0.000 2.341 230 W HA -0.086 4.575 4.660 0.002 0.000 0.283 230 W C 1.855 178.281 176.519 -0.155 0.000 1.215 230 W CA 1.116 58.306 57.345 -0.259 0.000 1.211 230 W CB -2.055 27.311 29.460 -0.157 0.000 1.131 230 W HN -0.111 nan 8.180 nan 0.000 0.552 231 A N -0.299 122.286 122.820 -0.391 0.000 2.208 231 A HA 0.070 4.391 4.320 0.002 0.000 0.209 231 A C 1.497 179.110 177.584 0.048 0.000 1.161 231 A CA 0.650 52.671 52.037 -0.027 0.000 0.782 231 A CB -1.120 17.840 19.000 -0.067 0.000 0.816 231 A HN 0.403 nan 8.150 nan 0.000 0.477 232 W N 0.480 121.722 121.300 -0.097 0.000 2.363 232 W HA -0.071 4.591 4.660 0.003 0.000 0.296 232 W C 2.448 178.965 176.519 -0.003 0.000 1.212 232 W CA 0.670 57.966 57.345 -0.082 0.000 1.260 232 W CB -1.482 27.981 29.460 0.005 0.000 1.131 232 W HN 0.328 nan 8.180 nan 0.000 0.530 233 S N 0.833 116.680 115.700 0.245 0.000 2.359 233 S HA -0.228 4.243 4.470 0.002 0.000 0.222 233 S C 1.688 176.366 174.600 0.131 0.000 1.038 233 S CA 1.875 60.177 58.200 0.170 0.000 1.051 233 S CB -0.561 62.710 63.200 0.118 0.000 0.944 233 S HN 0.233 nan 8.310 nan 0.000 0.433 234 N N 1.452 120.221 118.700 0.115 0.000 2.149 234 N HA -0.037 4.704 4.740 0.002 0.000 0.188 234 N C 1.625 177.183 175.510 0.080 0.000 1.019 234 N CA 1.076 54.182 53.050 0.094 0.000 0.857 234 N CB -0.541 38.009 38.487 0.105 0.000 0.997 234 N HN 0.474 nan 8.380 nan 0.000 0.426 235 I N 0.649 121.255 120.570 0.061 0.000 2.202 235 I HA -0.190 3.982 4.170 0.002 0.000 0.242 235 I C 1.301 177.500 176.117 0.137 0.000 1.091 235 I CA 1.010 62.324 61.300 0.022 0.000 1.368 235 I CB -0.409 37.419 38.000 -0.286 0.000 1.058 235 I HN -0.083 nan 8.210 nan 0.000 0.410 236 D N 0.860 121.383 120.400 0.205 0.000 2.280 236 D HA -0.155 4.486 4.640 0.002 0.000 0.206 236 D C 1.999 178.371 176.300 0.120 0.000 0.988 236 D CA 1.428 55.553 54.000 0.209 0.000 0.886 236 D CB -0.264 40.647 40.800 0.185 0.000 0.914 236 D HN 0.317 nan 8.370 nan 0.000 0.473 237 T N -1.326 113.285 114.554 0.094 0.000 3.081 237 T HA -0.018 4.334 4.350 0.002 0.000 0.255 237 T C 1.675 176.403 174.700 0.047 0.000 1.113 237 T CA 0.759 62.897 62.100 0.062 0.000 1.082 237 T CB 0.118 69.020 68.868 0.056 0.000 0.939 237 T HN 0.182 nan 8.240 nan 0.000 0.506 238 S N 0.361 116.091 115.700 0.051 0.000 2.557 238 S HA 0.614 5.086 4.470 0.002 0.000 0.223 238 S C 1.683 176.284 174.600 0.002 0.000 0.969 238 S CA 0.494 58.707 58.200 0.022 0.000 0.927 238 S CB -0.046 63.161 63.200 0.012 0.000 0.806 238 S HN 0.508 nan 8.310 nan 0.000 0.489 239 A N -0.019 122.809 122.820 0.014 0.000 4.159 239 A HA -0.173 4.148 4.320 0.002 0.000 0.263 239 A C 0.517 178.089 177.584 -0.021 0.000 0.889 239 A CA 1.031 53.064 52.037 -0.006 0.000 1.227 239 A CB -2.574 16.416 19.000 -0.016 0.000 1.051 239 A HN 0.929 nan 8.150 nan 0.000 0.820 240 V N 1.595 121.491 119.914 -0.030 0.000 2.585 240 V HA 0.288 4.410 4.120 0.002 0.000 0.296 240 V C 0.685 176.789 176.094 0.017 0.000 1.035 240 V CA 0.559 62.820 62.300 -0.065 0.000 1.084 240 V CB 1.052 32.760 31.823 -0.193 0.000 0.953 240 V HN 0.585 nan 8.190 nan 0.000 0.483 241 N N 4.624 123.302 118.700 -0.036 0.000 2.437 241 N HA 0.297 5.038 4.740 0.002 0.000 0.243 241 N C -0.914 174.548 175.510 -0.080 0.000 1.041 241 N CA -0.374 52.632 53.050 -0.074 0.000 0.940 241 N CB 0.308 38.736 38.487 -0.098 0.000 1.133 241 N HN 0.605 nan 8.380 nan 0.000 0.506 242 Y N 0.591 120.788 120.300 -0.172 0.000 2.468 242 Y HA 0.867 5.418 4.550 0.002 0.000 0.342 242 Y C 0.276 175.940 175.900 -0.394 0.000 1.021 242 Y CA -1.447 56.514 58.100 -0.231 0.000 1.079 242 Y CB 0.939 39.396 38.460 -0.006 0.000 1.226 242 Y HN 0.327 nan 8.280 nan 0.000 0.460 243 G N 1.072 109.486 108.800 -0.643 0.000 2.454 243 G HA2 0.586 4.548 3.960 0.002 0.000 0.329 243 G HA3 0.586 4.548 3.960 0.002 0.000 0.329 243 G C -1.893 172.899 174.900 -0.180 0.000 1.177 243 G CA -1.148 43.593 45.100 -0.598 0.000 0.951 243 G HN 0.666 nan 8.290 nan 0.000 0.485 244 V N 0.565 120.463 119.914 -0.025 0.000 2.407 244 V HA 0.674 4.796 4.120 0.002 0.000 0.291 244 V C 0.216 176.375 176.094 0.108 0.000 1.018 244 V CA -0.450 61.883 62.300 0.054 0.000 0.842 244 V CB 1.138 32.904 31.823 -0.096 0.000 0.996 244 V HN 0.922 nan 8.190 nan 0.000 0.426 245 T N 3.029 117.674 114.554 0.152 0.000 2.804 245 T HA 0.556 4.907 4.350 0.002 0.000 0.290 245 T C -0.757 173.957 174.700 0.024 0.000 1.099 245 T CA -0.378 61.772 62.100 0.083 0.000 1.011 245 T CB 2.034 70.938 68.868 0.061 0.000 1.291 245 T HN 0.443 nan 8.240 nan 0.000 0.523 246 V N 3.225 123.132 119.914 -0.011 0.000 2.740 246 V HA 0.346 4.467 4.120 0.002 0.000 0.303 246 V C 0.305 176.370 176.094 -0.048 0.000 1.054 246 V CA -0.090 62.198 62.300 -0.020 0.000 1.106 246 V CB -0.019 31.789 31.823 -0.026 0.000 0.957 246 V HN 0.746 nan 8.190 nan 0.000 0.486 247 L N 8.202 129.404 121.223 -0.035 0.000 2.483 247 L HA 0.216 4.558 4.340 0.002 0.000 0.275 247 L C -1.892 174.924 176.870 -0.090 0.000 1.220 247 L CA -1.145 53.656 54.840 -0.065 0.000 0.833 247 L CB -0.108 41.957 42.059 0.010 0.000 1.102 247 L HN 0.550 nan 8.230 nan 0.000 0.490 248 P HA 0.067 nan 4.420 nan 0.000 0.271 248 P C -0.629 176.691 177.300 0.032 0.000 1.233 248 P CA -0.411 62.546 63.100 -0.238 0.000 0.789 248 P CB 0.379 31.672 31.700 -0.677 0.000 0.951 249 T N -1.732 112.866 114.554 0.073 0.000 2.902 249 T HA 0.609 4.960 4.350 0.002 0.000 0.280 249 T C -0.806 174.099 174.700 0.341 0.000 0.992 249 T CA -0.419 61.781 62.100 0.165 0.000 1.015 249 T CB 0.390 69.287 68.868 0.049 0.000 1.044 249 T HN 0.234 nan 8.240 nan 0.000 0.520 250 F N 0.929 120.918 119.950 0.065 0.000 2.565 250 F HA 0.492 5.020 4.527 0.002 0.000 0.313 250 F C 0.529 176.260 175.800 -0.114 0.000 1.091 250 F CA -1.286 56.665 58.000 -0.082 0.000 0.915 250 F CB 1.634 40.481 39.000 -0.256 0.000 1.208 250 F HN 0.842 nan 8.300 nan 0.000 0.453 251 K N 4.216 124.013 120.400 -1.006 0.000 3.010 251 K HA -0.242 4.079 4.320 0.002 0.000 0.255 251 K C 0.941 177.355 176.600 -0.309 0.000 0.929 251 K CA 1.058 56.923 56.287 -0.703 0.000 0.687 251 K CB -1.639 30.365 32.500 -0.827 0.000 1.304 251 K HN 1.364 nan 8.250 nan 0.000 0.479 252 G N -0.790 107.893 108.800 -0.196 0.000 2.199 252 G HA2 -0.326 3.636 3.960 0.002 0.000 0.254 252 G HA3 -0.326 3.636 3.960 0.002 0.000 0.254 252 G C -0.012 174.854 174.900 -0.057 0.000 0.982 252 G CA 0.637 45.675 45.100 -0.103 0.000 0.632 252 G HN 0.368 nan 8.290 nan 0.000 0.529 253 Q N 1.038 120.813 119.800 -0.042 0.000 2.226 253 Q HA 0.590 4.932 4.340 0.002 0.000 0.256 253 Q C -2.243 173.780 176.000 0.038 0.000 0.962 253 Q CA -1.935 53.866 55.803 -0.004 0.000 0.887 253 Q CB 1.976 30.712 28.738 -0.003 0.000 1.282 253 Q HN 0.230 nan 8.270 nan 0.000 0.449 254 P HA 0.032 nan 4.420 nan 0.000 0.271 254 P C -0.765 176.569 177.300 0.057 0.000 1.216 254 P CA -0.060 63.066 63.100 0.044 0.000 0.776 254 P CB 0.785 32.498 31.700 0.022 0.000 0.881 255 S N 2.381 118.140 115.700 0.099 0.000 2.568 255 S HA 0.057 4.528 4.470 0.002 0.000 0.282 255 S C 0.471 175.080 174.600 0.014 0.000 1.338 255 S CA -0.017 58.228 58.200 0.076 0.000 1.045 255 S CB -0.070 63.242 63.200 0.186 0.000 0.873 255 S HN 0.313 nan 8.310 nan 0.000 0.516 256 K N 2.716 123.085 120.400 -0.052 0.000 2.624 256 K HA 0.287 4.608 4.320 0.002 0.000 0.200 256 K C -2.882 173.719 176.600 0.002 0.000 1.036 256 K CA -1.761 54.505 56.287 -0.035 0.000 1.029 256 K CB 1.109 33.565 32.500 -0.073 0.000 1.317 256 K HN 0.323 nan 8.250 nan 0.000 0.555 257 P HA -0.019 nan 4.420 nan 0.000 0.269 257 P C -0.516 176.947 177.300 0.272 0.000 1.209 257 P CA -0.288 62.891 63.100 0.132 0.000 0.776 257 P CB 0.355 32.099 31.700 0.074 0.000 0.876 258 F N 2.391 122.536 119.950 0.324 0.000 2.490 258 F HA 0.048 4.578 4.527 0.003 0.000 0.357 258 F C 0.362 176.354 175.800 0.321 0.000 1.166 258 F CA -0.387 57.803 58.000 0.316 0.000 1.116 258 F CB -0.416 38.759 39.000 0.292 0.000 1.171 258 F HN -0.030 nan 8.300 nan 0.000 0.576 259 V N 4.559 124.803 119.914 0.550 0.000 2.529 259 V HA 0.397 4.518 4.120 0.002 0.000 0.292 259 V C 0.769 177.158 176.094 0.492 0.000 1.028 259 V CA -0.121 62.446 62.300 0.445 0.000 1.074 259 V CB 0.416 32.470 31.823 0.386 0.000 0.958 259 V HN 0.818 nan 8.190 nan 0.000 0.481 260 G N 3.301 112.372 108.800 0.453 0.000 2.481 260 G HA2 0.616 4.578 3.960 0.002 0.000 0.315 260 G HA3 0.616 4.578 3.960 0.002 0.000 0.315 260 G C -1.359 173.769 174.900 0.379 0.000 1.231 260 G CA -0.539 44.848 45.100 0.477 0.000 0.968 260 G HN 0.527 nan 8.290 nan 0.000 0.482 261 V N 2.640 122.842 119.914 0.480 0.000 2.326 261 V HA 0.232 4.353 4.120 0.002 0.000 0.281 261 V C 0.103 176.339 176.094 0.236 0.000 1.015 261 V CA -0.728 61.712 62.300 0.233 0.000 0.823 261 V CB 1.096 32.905 31.823 -0.024 0.000 1.009 261 V HN 0.758 nan 8.190 nan 0.000 0.436 262 L N 5.792 127.111 121.223 0.160 0.000 2.601 262 L HA 0.214 4.556 4.340 0.002 0.000 0.277 262 L C 0.356 177.311 176.870 0.142 0.000 1.219 262 L CA 1.435 56.367 54.840 0.153 0.000 0.915 262 L CB 0.436 42.584 42.059 0.149 0.000 1.160 262 L HN 0.710 nan 8.230 nan 0.000 0.494 263 S N 3.378 119.171 115.700 0.155 0.000 2.570 263 S HA 0.899 5.370 4.470 0.002 0.000 0.286 263 S C -0.790 173.657 174.600 -0.255 0.000 1.099 263 S CA -0.318 57.824 58.200 -0.097 0.000 0.913 263 S CB 1.867 64.854 63.200 -0.355 0.000 1.085 263 S HN 0.939 nan 8.310 nan 0.000 0.480 264 A N 1.331 123.884 122.820 -0.446 0.000 2.319 264 A HA 0.825 5.147 4.320 0.002 0.000 0.310 264 A C 0.043 177.420 177.584 -0.345 0.000 1.152 264 A CA -0.621 51.003 52.037 -0.688 0.000 0.783 264 A CB 0.815 19.229 19.000 -0.976 0.000 1.184 264 A HN 0.927 nan 8.150 nan 0.000 0.474 265 G N 1.133 109.792 108.800 -0.235 0.000 2.482 265 G HA2 0.598 4.559 3.960 0.002 0.000 0.317 265 G HA3 0.598 4.559 3.960 0.002 0.000 0.317 265 G C -0.811 174.079 174.900 -0.018 0.000 1.241 265 G CA -0.617 44.426 45.100 -0.094 0.000 0.967 265 G HN 0.670 nan 8.290 nan 0.000 0.482 266 I N 1.619 122.208 120.570 0.031 0.000 2.353 266 I HA 0.151 4.323 4.170 0.002 0.000 0.293 266 I C 0.127 176.281 176.117 0.062 0.000 0.992 266 I CA -0.972 60.350 61.300 0.037 0.000 1.268 266 I CB 1.600 39.637 38.000 0.062 0.000 1.387 266 I HN 0.342 nan 8.210 nan 0.000 0.478 267 N N 4.957 123.690 118.700 0.054 0.000 2.440 267 N HA 0.011 4.752 4.740 0.002 0.000 0.265 267 N C 0.687 176.225 175.510 0.048 0.000 1.239 267 N CA 0.189 53.295 53.050 0.095 0.000 0.909 267 N CB 1.329 39.845 38.487 0.048 0.000 1.066 267 N HN 0.772 nan 8.380 nan 0.000 0.474 268 A N 3.180 126.036 122.820 0.059 0.000 2.255 268 A HA 0.185 4.506 4.320 0.002 0.000 0.206 268 A C 1.287 178.871 177.584 0.001 0.000 1.193 268 A CA 0.993 53.051 52.037 0.034 0.000 0.794 268 A CB -0.271 18.758 19.000 0.047 0.000 0.794 268 A HN 0.717 nan 8.150 nan 0.000 0.481 269 A N -0.934 121.874 122.820 -0.020 0.000 2.603 269 A HA 0.484 4.805 4.320 0.002 0.000 0.277 269 A C 0.817 178.376 177.584 -0.041 0.000 1.158 269 A CA 0.521 52.534 52.037 -0.040 0.000 0.962 269 A CB -0.193 18.764 19.000 -0.072 0.000 1.189 269 A HN 0.442 nan 8.150 nan 0.000 0.552 270 S N 0.623 116.305 115.700 -0.030 0.000 2.537 270 S HA 0.465 4.937 4.470 0.002 0.000 0.275 270 S C -1.683 172.905 174.600 -0.019 0.000 1.272 270 S CA -1.197 56.983 58.200 -0.034 0.000 1.050 270 S CB 1.059 64.237 63.200 -0.035 0.000 0.961 270 S HN 0.117 nan 8.310 nan 0.000 0.496 271 P HA 0.076 nan 4.420 nan 0.000 0.225 271 P C -0.023 177.277 177.300 -0.001 0.000 1.156 271 P CA 0.606 63.701 63.100 -0.009 0.000 0.787 271 P CB 0.040 31.733 31.700 -0.012 0.000 0.802 272 N N -0.085 118.611 118.700 -0.005 0.000 2.455 272 N HA 0.079 4.820 4.740 0.002 0.000 0.258 272 N C 0.870 176.386 175.510 0.012 0.000 1.158 272 N CA 0.016 53.069 53.050 0.004 0.000 0.893 272 N CB 0.017 38.499 38.487 -0.007 0.000 1.173 272 N HN 0.245 nan 8.380 nan 0.000 0.503 273 K N 0.666 121.076 120.400 0.017 0.000 2.103 273 K HA -0.097 4.224 4.320 0.002 0.000 0.207 273 K C 1.298 177.925 176.600 0.045 0.000 1.048 273 K CA 0.928 57.233 56.287 0.030 0.000 0.930 273 K CB 0.286 32.804 32.500 0.030 0.000 0.716 273 K HN 0.198 nan 8.250 nan 0.000 0.444 274 E N 0.868 121.096 120.200 0.046 0.000 2.028 274 E HA -0.148 4.203 4.350 0.002 0.000 0.191 274 E C 2.157 178.805 176.600 0.081 0.000 0.988 274 E CA 0.980 57.416 56.400 0.059 0.000 0.799 274 E CB -0.247 29.485 29.700 0.054 0.000 0.755 274 E HN 0.128 nan 8.360 nan 0.000 0.447 275 L N 1.309 122.585 121.223 0.089 0.000 1.990 275 L HA -0.206 4.135 4.340 0.002 0.000 0.213 275 L C 2.537 179.453 176.870 0.076 0.000 1.072 275 L CA 2.027 56.953 54.840 0.143 0.000 0.755 275 L CB -1.296 40.845 42.059 0.137 0.000 0.889 275 L HN 0.047 nan 8.230 nan 0.000 0.432 276 A N -0.379 122.450 122.820 0.015 0.000 1.873 276 A HA -0.293 4.028 4.320 0.002 0.000 0.218 276 A C 2.378 179.980 177.584 0.030 0.000 1.193 276 A CA 2.272 54.300 52.037 -0.015 0.000 0.629 276 A CB -0.594 18.404 19.000 -0.004 0.000 0.826 276 A HN 0.434 nan 8.150 nan 0.000 0.447 277 K N -0.907 119.526 120.400 0.055 0.000 2.063 277 K HA -0.206 4.115 4.320 0.002 0.000 0.208 277 K C 2.173 178.756 176.600 -0.028 0.000 1.048 277 K CA 1.689 57.997 56.287 0.034 0.000 0.928 277 K CB -0.169 32.386 32.500 0.092 0.000 0.713 277 K HN 0.697 nan 8.250 nan 0.000 0.442 278 E N 0.328 120.567 120.200 0.065 0.000 2.077 278 E HA -0.192 4.160 4.350 0.002 0.000 0.193 278 E C 1.785 178.488 176.600 0.171 0.000 0.989 278 E CA 0.883 57.365 56.400 0.136 0.000 0.800 278 E CB -0.108 29.729 29.700 0.227 0.000 0.746 278 E HN 0.250 nan 8.360 nan 0.000 0.452 279 F N 0.936 120.818 119.950 -0.114 0.000 2.046 279 F HA -0.209 4.318 4.527 0.001 0.000 0.297 279 F C 1.812 177.544 175.800 -0.113 0.000 1.123 279 F CA 1.708 59.486 58.000 -0.369 0.000 1.199 279 F CB -0.218 38.319 39.000 -0.773 0.000 0.972 279 F HN -0.003 nan 8.300 nan 0.000 0.474 280 L N -0.076 121.165 121.223 0.030 0.000 2.046 280 L HA -0.179 4.162 4.340 0.002 0.000 0.208 280 L C 2.414 179.153 176.870 -0.218 0.000 1.077 280 L CA 1.591 56.358 54.840 -0.123 0.000 0.747 280 L CB -0.797 41.052 42.059 -0.349 0.000 0.896 280 L HN 0.220 nan 8.230 nan 0.000 0.432 281 E N -0.049 119.977 120.200 -0.291 0.000 2.076 281 E HA -0.113 4.239 4.350 0.002 0.000 0.190 281 E C 1.475 178.123 176.600 0.081 0.000 0.979 281 E CA 0.850 57.101 56.400 -0.248 0.000 0.807 281 E CB 0.044 29.392 29.700 -0.587 0.000 0.761 281 E HN 0.464 nan 8.360 nan 0.000 0.454 282 N N -1.025 117.739 118.700 0.106 0.000 2.282 282 N HA 0.023 4.765 4.740 0.002 0.000 0.185 282 N C 0.621 176.146 175.510 0.026 0.000 1.099 282 N CA 0.586 53.726 53.050 0.150 0.000 0.878 282 N CB 0.401 39.045 38.487 0.262 0.000 0.993 282 N HN 0.172 nan 8.380 nan 0.000 0.481 283 Y N -0.549 119.654 120.300 -0.161 0.000 2.817 283 Y HA 0.234 4.785 4.550 0.002 0.000 0.257 283 Y C 1.711 177.438 175.900 -0.289 0.000 1.055 283 Y CA -0.363 57.586 58.100 -0.251 0.000 1.319 283 Y CB -0.620 37.593 38.460 -0.413 0.000 1.481 283 Y HN -0.162 nan 8.280 nan 0.000 0.471 284 L N 0.539 121.612 121.223 -0.251 0.000 1.994 284 L HA -0.031 4.310 4.340 0.002 0.000 0.208 284 L C 0.938 177.812 176.870 0.006 0.000 1.071 284 L CA 1.891 56.664 54.840 -0.113 0.000 0.745 284 L CB -0.793 41.262 42.059 -0.007 0.000 0.892 284 L HN 0.160 nan 8.230 nan 0.000 0.431 285 L N 1.141 122.393 121.223 0.048 0.000 2.672 285 L HA 0.154 4.496 4.340 0.002 0.000 0.238 285 L C 0.044 176.954 176.870 0.067 0.000 1.392 285 L CA 0.007 54.910 54.840 0.105 0.000 1.238 285 L CB -1.421 40.782 42.059 0.240 0.000 1.548 285 L HN 0.440 nan 8.230 nan 0.000 0.423 286 T N -6.329 108.222 114.554 -0.005 0.000 2.883 286 T HA 0.281 4.632 4.350 0.002 0.000 0.296 286 T C 0.504 175.124 174.700 -0.134 0.000 1.117 286 T CA -0.795 61.271 62.100 -0.056 0.000 1.006 286 T CB 2.060 70.871 68.868 -0.096 0.000 1.191 286 T HN 0.001 nan 8.240 nan 0.000 0.508 287 D N 0.590 120.883 120.400 -0.178 0.000 2.149 287 D HA -0.033 4.609 4.640 0.002 0.000 0.198 287 D C 1.714 177.725 176.300 -0.480 0.000 0.990 287 D CA 1.513 55.282 54.000 -0.386 0.000 0.839 287 D CB 0.013 40.670 40.800 -0.239 0.000 0.948 287 D HN 0.765 nan 8.370 nan 0.000 0.460 288 E N 0.120 120.162 120.200 -0.264 0.000 2.046 288 E HA 0.033 4.384 4.350 0.002 0.000 0.190 288 E C 2.270 178.772 176.600 -0.163 0.000 0.982 288 E CA 1.132 57.412 56.400 -0.200 0.000 0.800 288 E CB -0.823 28.800 29.700 -0.129 0.000 0.756 288 E HN 0.260 nan 8.360 nan 0.000 0.449 289 G N 1.580 110.301 108.800 -0.131 0.000 2.514 289 G HA2 -0.270 3.692 3.960 0.002 0.000 0.217 289 G HA3 -0.270 3.692 3.960 0.002 0.000 0.217 289 G C 1.574 176.450 174.900 -0.041 0.000 1.198 289 G CA 0.979 46.038 45.100 -0.068 0.000 0.780 289 G HN 0.130 nan 8.290 nan 0.000 0.565 290 L N 0.493 121.681 121.223 -0.060 0.000 2.012 290 L HA -0.144 4.197 4.340 0.002 0.000 0.210 290 L C 2.846 179.771 176.870 0.091 0.000 1.073 290 L CA 1.941 56.816 54.840 0.058 0.000 0.748 290 L CB -0.573 41.594 42.059 0.181 0.000 0.891 290 L HN 0.511 nan 8.230 nan 0.000 0.431 291 E N 0.583 120.676 120.200 -0.178 0.000 2.049 291 E HA -0.294 4.057 4.350 0.002 0.000 0.198 291 E C 2.188 178.824 176.600 0.059 0.000 1.007 291 E CA 1.579 57.968 56.400 -0.018 0.000 0.809 291 E CB -0.117 29.459 29.700 -0.206 0.000 0.749 291 E HN 0.410 nan 8.360 nan 0.000 0.450 292 A N 0.625 123.449 122.820 0.006 0.000 1.903 292 A HA -0.227 4.094 4.320 0.002 0.000 0.219 292 A C 2.481 180.095 177.584 0.050 0.000 1.191 292 A CA 2.096 54.151 52.037 0.030 0.000 0.638 292 A CB -0.962 18.054 19.000 0.027 0.000 0.823 292 A HN 0.275 nan 8.150 nan 0.000 0.451 293 V N 0.327 120.278 119.914 0.062 0.000 2.283 293 V HA -0.211 3.910 4.120 0.002 0.000 0.243 293 V C 2.370 178.512 176.094 0.080 0.000 1.039 293 V CA 2.169 64.505 62.300 0.061 0.000 1.016 293 V CB -1.068 30.796 31.823 0.069 0.000 0.650 293 V HN 0.724 nan 8.190 nan 0.000 0.449 294 N N 0.205 118.986 118.700 0.136 0.000 2.334 294 N HA -0.197 4.544 4.740 0.002 0.000 0.187 294 N C 1.718 177.308 175.510 0.133 0.000 1.016 294 N CA 1.220 54.364 53.050 0.158 0.000 0.879 294 N CB -0.080 38.560 38.487 0.254 0.000 0.965 294 N HN 0.293 nan 8.380 nan 0.000 0.438 295 K N 0.286 120.753 120.400 0.112 0.000 2.031 295 K HA -0.090 4.231 4.320 0.002 0.000 0.205 295 K C 1.471 178.106 176.600 0.060 0.000 1.049 295 K CA 0.950 57.290 56.287 0.088 0.000 0.939 295 K CB -0.661 31.881 32.500 0.069 0.000 0.717 295 K HN 0.313 nan 8.250 nan 0.000 0.438 296 D N 0.806 121.223 120.400 0.030 0.000 2.084 296 D HA -0.092 4.549 4.640 0.002 0.000 0.194 296 D C -0.238 176.063 176.300 0.001 0.000 0.990 296 D CA 1.374 55.364 54.000 -0.017 0.000 0.826 296 D CB 0.351 41.106 40.800 -0.075 0.000 0.971 296 D HN 0.017 nan 8.370 nan 0.000 0.453 297 K N -0.477 119.938 120.400 0.026 0.000 2.589 297 K HA 0.324 4.646 4.320 0.002 0.000 0.253 297 K C -2.739 173.902 176.600 0.067 0.000 0.974 297 K CA -1.668 54.651 56.287 0.053 0.000 0.835 297 K CB 2.949 35.472 32.500 0.038 0.000 1.272 297 K HN -0.148 nan 8.250 nan 0.000 0.444 298 P HA -0.051 nan 4.420 nan 0.000 0.261 298 P C 0.124 177.410 177.300 -0.023 0.000 1.173 298 P CA 0.274 63.408 63.100 0.057 0.000 0.760 298 P CB 0.552 32.309 31.700 0.094 0.000 0.783 299 L N 1.917 123.154 121.223 0.023 0.000 2.446 299 L HA 0.182 4.524 4.340 0.002 0.000 0.219 299 L C 1.493 178.359 176.870 -0.007 0.000 1.116 299 L CA 0.961 55.825 54.840 0.040 0.000 0.844 299 L CB -0.665 41.450 42.059 0.092 0.000 0.970 299 L HN 0.753 nan 8.230 nan 0.000 0.457 300 G N 0.128 108.883 108.800 -0.074 0.000 2.484 300 G HA2 -0.202 3.759 3.960 0.002 0.000 0.225 300 G HA3 -0.202 3.759 3.960 0.002 0.000 0.225 300 G C -0.201 174.698 174.900 -0.000 0.000 1.250 300 G CA -0.340 44.722 45.100 -0.063 0.000 0.926 300 G HN 0.331 nan 8.290 nan 0.000 0.581 301 A N 0.636 123.449 122.820 -0.012 0.000 2.527 301 A HA 0.677 4.998 4.320 0.002 0.000 0.313 301 A C 1.069 178.633 177.584 -0.033 0.000 1.410 301 A CA 0.588 52.595 52.037 -0.049 0.000 1.060 301 A CB -0.676 18.254 19.000 -0.116 0.000 1.137 301 A HN 2.282 nan 8.150 nan 0.000 0.542 302 V N 0.432 120.351 119.914 0.007 0.000 3.032 302 V HA 0.308 4.429 4.120 0.002 0.000 0.307 302 V C 1.409 177.570 176.094 0.111 0.000 1.097 302 V CA 0.394 62.740 62.300 0.077 0.000 1.191 302 V CB -0.037 31.869 31.823 0.138 0.000 0.964 302 V HN 1.001 nan 8.190 nan 0.000 0.494 303 A N 3.302 126.192 122.820 0.118 0.000 1.929 303 A HA 0.099 4.420 4.320 0.002 0.000 0.216 303 A C 1.237 178.960 177.584 0.232 0.000 1.176 303 A CA 0.890 53.015 52.037 0.147 0.000 0.628 303 A CB -0.465 18.530 19.000 -0.007 0.000 0.816 303 A HN 1.026 nan 8.150 nan 0.000 0.444 304 L N 0.879 122.183 121.223 0.135 0.000 2.477 304 L HA 0.147 4.488 4.340 0.002 0.000 0.272 304 L C 1.054 177.985 176.870 0.101 0.000 1.157 304 L CA 0.346 55.225 54.840 0.065 0.000 0.889 304 L CB 0.179 42.275 42.059 0.062 0.000 1.158 304 L HN 0.291 nan 8.230 nan 0.000 0.473 305 K N 1.862 122.212 120.400 -0.085 0.000 2.103 305 K HA -0.186 4.135 4.320 0.002 0.000 0.207 305 K C 1.961 178.557 176.600 -0.006 0.000 1.048 305 K CA 1.761 57.935 56.287 -0.188 0.000 0.930 305 K CB -0.075 32.205 32.500 -0.368 0.000 0.716 305 K HN 0.922 nan 8.250 nan 0.000 0.444 306 S N 0.224 115.938 115.700 0.024 0.000 2.345 306 S HA -0.179 4.292 4.470 0.002 0.000 0.219 306 S C 2.074 176.768 174.600 0.157 0.000 1.031 306 S CA 0.726 58.964 58.200 0.064 0.000 0.984 306 S CB -0.691 62.535 63.200 0.044 0.000 0.874 306 S HN 0.312 nan 8.310 nan 0.000 0.451 307 Y N 2.789 123.104 120.300 0.025 0.000 2.242 307 Y HA 0.023 4.574 4.550 0.002 0.000 0.291 307 Y C 2.486 178.423 175.900 0.062 0.000 1.137 307 Y CA 1.596 59.720 58.100 0.040 0.000 1.181 307 Y CB -0.848 37.636 38.460 0.040 0.000 0.989 307 Y HN 0.433 nan 8.280 nan 0.000 0.527 308 E N 0.745 120.997 120.200 0.088 0.000 2.153 308 E HA -0.161 4.190 4.350 0.002 0.000 0.194 308 E C 2.184 178.800 176.600 0.028 0.000 0.988 308 E CA 1.833 58.247 56.400 0.023 0.000 0.811 308 E CB -0.305 29.508 29.700 0.190 0.000 0.746 308 E HN 0.547 nan 8.360 nan 0.000 0.466 309 E N 1.199 121.441 120.200 0.069 0.000 2.118 309 E HA -0.226 4.125 4.350 0.002 0.000 0.195 309 E C 1.899 178.513 176.600 0.023 0.000 0.992 309 E CA 1.564 57.994 56.400 0.051 0.000 0.804 309 E CB -0.670 29.060 29.700 0.050 0.000 0.741 309 E HN 0.312 nan 8.360 nan 0.000 0.458 310 E N 0.087 120.299 120.200 0.019 0.000 2.016 310 E HA 0.007 4.358 4.350 0.002 0.000 0.190 310 E C 2.417 178.972 176.600 -0.075 0.000 0.985 310 E CA 0.820 57.220 56.400 0.000 0.000 0.802 310 E CB -0.367 29.381 29.700 0.079 0.000 0.762 310 E HN 0.565 nan 8.360 nan 0.000 0.448 311 L N 0.745 121.850 121.223 -0.197 0.000 2.127 311 L HA -0.183 4.158 4.340 0.002 0.000 0.211 311 L C 2.478 179.300 176.870 -0.081 0.000 1.089 311 L CA 1.002 55.729 54.840 -0.189 0.000 0.757 311 L CB -0.598 41.288 42.059 -0.289 0.000 0.899 311 L HN 0.069 nan 8.230 nan 0.000 0.434 312 A N 0.276 123.063 122.820 -0.055 0.000 2.032 312 A HA -0.241 4.081 4.320 0.002 0.000 0.221 312 A C 2.264 179.831 177.584 -0.028 0.000 1.165 312 A CA 1.692 53.712 52.037 -0.029 0.000 0.645 312 A CB -0.361 18.634 19.000 -0.008 0.000 0.807 312 A HN 0.381 nan 8.150 nan 0.000 0.453 313 K N -0.063 120.319 120.400 -0.029 0.000 2.209 313 K HA -0.111 4.210 4.320 0.002 0.000 0.204 313 K C 0.312 176.887 176.600 -0.041 0.000 1.048 313 K CA 0.738 57.008 56.287 -0.029 0.000 0.940 313 K CB -0.126 32.361 32.500 -0.022 0.000 0.729 313 K HN 0.438 nan 8.250 nan 0.000 0.451 314 D N 1.036 121.409 120.400 -0.046 0.000 2.363 314 D HA 0.013 4.654 4.640 0.002 0.000 0.263 314 D C -1.886 174.365 176.300 -0.080 0.000 1.258 314 D CA -2.125 51.834 54.000 -0.067 0.000 0.907 314 D CB 1.266 42.032 40.800 -0.057 0.000 1.107 314 D HN -0.136 nan 8.370 nan 0.000 0.495 315 P HA -0.174 nan 4.420 nan 0.000 0.217 315 P C 1.199 178.426 177.300 -0.121 0.000 1.151 315 P CA 1.306 64.347 63.100 -0.099 0.000 0.849 315 P CB 0.221 31.853 31.700 -0.114 0.000 0.787 316 R N -0.888 119.479 120.500 -0.220 0.000 2.081 316 R HA -0.086 4.256 4.340 0.002 0.000 0.235 316 R C 2.202 178.462 176.300 -0.067 0.000 1.131 316 R CA 1.189 57.084 56.100 -0.342 0.000 0.960 316 R CB -0.885 28.852 30.300 -0.939 0.000 0.856 316 R HN 0.192 nan 8.270 nan 0.000 0.436 317 I N 0.891 121.476 120.570 0.025 0.000 2.286 317 I HA -0.198 3.973 4.170 0.002 0.000 0.248 317 I C 2.528 178.677 176.117 0.053 0.000 1.115 317 I CA 1.197 62.578 61.300 0.135 0.000 1.392 317 I CB -1.331 36.718 38.000 0.081 0.000 1.065 317 I HN 0.163 nan 8.210 nan 0.000 0.418 318 A N 1.250 124.072 122.820 0.003 0.000 1.865 318 A HA -0.157 4.164 4.320 0.002 0.000 0.217 318 A C 2.597 180.182 177.584 0.002 0.000 1.191 318 A CA 2.213 54.243 52.037 -0.010 0.000 0.623 318 A CB -0.864 18.121 19.000 -0.025 0.000 0.826 318 A HN 0.409 nan 8.150 nan 0.000 0.444 319 A N -1.379 121.447 122.820 0.008 0.000 1.972 319 A HA -0.072 4.249 4.320 0.002 0.000 0.219 319 A C 2.272 179.887 177.584 0.053 0.000 1.169 319 A CA 2.256 54.307 52.037 0.023 0.000 0.635 319 A CB -1.206 17.808 19.000 0.023 0.000 0.810 319 A HN 0.439 nan 8.150 nan 0.000 0.446 320 T N -0.131 114.481 114.554 0.096 0.000 2.746 320 T HA -0.109 4.243 4.350 0.002 0.000 0.267 320 T C 1.900 176.626 174.700 0.043 0.000 1.039 320 T CA 1.575 63.741 62.100 0.111 0.000 1.142 320 T CB -0.219 68.761 68.868 0.187 0.000 0.866 320 T HN 0.298 nan 8.240 nan 0.000 0.444 321 M N 0.815 120.421 119.600 0.011 0.000 2.349 321 M HA 0.068 4.550 4.480 0.002 0.000 0.266 321 M C 2.228 178.508 176.300 -0.033 0.000 1.076 321 M CA 1.006 56.282 55.300 -0.040 0.000 1.126 321 M CB -0.826 31.731 32.600 -0.071 0.000 1.392 321 M HN 0.393 nan 8.290 nan 0.000 0.440 322 E N 0.585 120.778 120.200 -0.012 0.000 2.047 322 E HA -0.186 4.165 4.350 0.002 0.000 0.191 322 E C 1.752 178.353 176.600 0.003 0.000 0.987 322 E CA 1.029 57.423 56.400 -0.009 0.000 0.799 322 E CB 0.160 29.856 29.700 -0.006 0.000 0.752 322 E HN 0.395 nan 8.360 nan 0.000 0.449 323 N N 0.473 119.183 118.700 0.016 0.000 2.120 323 N HA -0.153 4.588 4.740 0.002 0.000 0.188 323 N C 1.723 177.257 175.510 0.040 0.000 1.024 323 N CA 1.277 54.344 53.050 0.028 0.000 0.852 323 N CB -0.322 38.186 38.487 0.035 0.000 1.003 323 N HN 0.252 nan 8.380 nan 0.000 0.424 324 A N 0.854 123.696 122.820 0.036 0.000 1.933 324 A HA -0.202 4.120 4.320 0.002 0.000 0.218 324 A C 2.195 179.804 177.584 0.042 0.000 1.175 324 A CA 1.551 53.618 52.037 0.052 0.000 0.628 324 A CB -0.609 18.397 19.000 0.011 0.000 0.814 324 A HN 0.374 nan 8.150 nan 0.000 0.444 325 Q N -0.595 119.207 119.800 0.002 0.000 2.123 325 Q HA -0.107 4.234 4.340 0.002 0.000 0.199 325 Q C 1.592 177.609 176.000 0.028 0.000 0.966 325 Q CA 1.169 56.973 55.803 0.000 0.000 0.845 325 Q CB 0.028 28.750 28.738 -0.027 0.000 0.907 325 Q HN 0.397 nan 8.270 nan 0.000 0.439 326 K N 0.127 120.543 120.400 0.027 0.000 2.360 326 K HA -0.004 4.317 4.320 0.002 0.000 0.201 326 K C 0.897 177.525 176.600 0.047 0.000 1.046 326 K CA 0.857 57.162 56.287 0.030 0.000 0.945 326 K CB -0.297 32.217 32.500 0.023 0.000 0.750 326 K HN 0.278 nan 8.250 nan 0.000 0.464 327 G N 0.554 109.399 108.800 0.075 0.000 2.606 327 G HA2 0.332 4.293 3.960 0.002 0.000 0.262 327 G HA3 0.332 4.293 3.960 0.002 0.000 0.262 327 G C -0.692 174.301 174.900 0.156 0.000 1.394 327 G CA -0.382 44.785 45.100 0.112 0.000 1.044 327 G HN -0.066 nan 8.290 nan 0.000 0.553 328 E N -0.941 119.399 120.200 0.233 0.000 2.314 328 E HA 0.321 4.673 4.350 0.002 0.000 0.272 328 E C -0.580 176.294 176.600 0.457 0.000 0.884 328 E CA -0.609 55.972 56.400 0.301 0.000 0.753 328 E CB 2.362 32.227 29.700 0.274 0.000 1.213 328 E HN 0.238 nan 8.360 nan 0.000 0.432 329 I N 2.507 123.314 120.570 0.395 0.000 2.618 329 I HA 0.066 4.237 4.170 0.002 0.000 0.284 329 I C 1.250 177.612 176.117 0.409 0.000 1.146 329 I CA -0.163 61.367 61.300 0.383 0.000 1.425 329 I CB -0.600 37.504 38.000 0.174 0.000 1.383 329 I HN 0.505 nan 8.210 nan 0.000 0.562 330 M N 6.716 126.511 119.600 0.324 0.000 2.249 330 M HA 0.187 4.669 4.480 0.002 0.000 0.340 330 M C -2.120 174.201 176.300 0.036 0.000 1.166 330 M CA -1.032 54.150 55.300 -0.196 0.000 1.115 330 M CB -0.245 32.083 32.600 -0.454 0.000 1.606 330 M HN 0.347 nan 8.290 nan 0.000 0.448 331 P HA 0.027 nan 4.420 nan 0.000 0.269 331 P C -0.294 176.929 177.300 -0.129 0.000 1.215 331 P CA -0.007 62.983 63.100 -0.184 0.000 0.780 331 P CB 0.372 31.633 31.700 -0.731 0.000 0.898 332 N N 1.618 120.339 118.700 0.035 0.000 2.203 332 N HA 0.036 4.777 4.740 0.002 0.000 0.207 332 N C 0.474 175.935 175.510 -0.081 0.000 1.130 332 N CA -0.191 52.864 53.050 0.009 0.000 0.861 332 N CB -0.798 37.797 38.487 0.181 0.000 1.005 332 N HN 0.394 nan 8.380 nan 0.000 0.507 333 I N -2.396 118.133 120.570 -0.068 0.000 2.993 333 I HA 0.203 4.375 4.170 0.002 0.000 0.286 333 I C -1.468 174.554 176.117 -0.159 0.000 1.215 333 I CA -1.432 59.828 61.300 -0.066 0.000 1.393 333 I CB 0.218 38.179 38.000 -0.064 0.000 1.371 333 I HN -0.294 nan 8.210 nan 0.000 0.602 334 P HA -0.191 nan 4.420 nan 0.000 0.218 334 P C 1.306 178.556 177.300 -0.083 0.000 1.148 334 P CA 1.265 64.287 63.100 -0.130 0.000 0.822 334 P CB 0.023 31.682 31.700 -0.069 0.000 0.784 335 Q N -1.514 118.224 119.800 -0.103 0.000 2.436 335 Q HA -0.034 4.307 4.340 0.002 0.000 0.209 335 Q C 1.870 177.921 176.000 0.086 0.000 0.965 335 Q CA 0.970 56.741 55.803 -0.054 0.000 0.910 335 Q CB -0.796 27.785 28.738 -0.262 0.000 0.980 335 Q HN 0.057 nan 8.270 nan 0.000 0.491 336 M N -0.455 119.150 119.600 0.008 0.000 2.117 336 M HA -0.155 4.326 4.480 0.002 0.000 0.262 336 M C 2.119 178.455 176.300 0.060 0.000 1.065 336 M CA 1.900 57.196 55.300 -0.007 0.000 1.114 336 M CB -1.202 31.303 32.600 -0.158 0.000 1.361 336 M HN 0.401 nan 8.290 nan 0.000 0.408 337 S N 0.549 116.279 115.700 0.051 0.000 2.370 337 S HA -0.116 4.355 4.470 0.002 0.000 0.226 337 S C 2.138 176.821 174.600 0.139 0.000 1.033 337 S CA 1.411 59.626 58.200 0.025 0.000 1.011 337 S CB -0.866 62.348 63.200 0.023 0.000 0.852 337 S HN 0.444 nan 8.310 nan 0.000 0.457 338 A N 1.883 124.853 122.820 0.250 0.000 1.865 338 A HA -0.031 4.290 4.320 0.002 0.000 0.217 338 A C 2.018 179.750 177.584 0.246 0.000 1.191 338 A CA 1.760 53.981 52.037 0.306 0.000 0.623 338 A CB -1.375 17.765 19.000 0.233 0.000 0.826 338 A HN 0.646 nan 8.150 nan 0.000 0.444 339 F N -0.914 119.069 119.950 0.055 0.000 2.091 339 F HA -0.254 4.274 4.527 0.002 0.000 0.299 339 F C 2.081 177.810 175.800 -0.120 0.000 1.103 339 F CA 2.002 59.925 58.000 -0.128 0.000 1.228 339 F CB -0.533 38.221 39.000 -0.410 0.000 0.984 339 F HN 0.429 nan 8.300 nan 0.000 0.477 340 W N -0.857 120.329 121.300 -0.191 0.000 2.354 340 W HA -0.240 4.421 4.660 0.001 0.000 0.315 340 W C 2.450 178.802 176.519 -0.277 0.000 1.206 340 W CA 1.142 58.278 57.345 -0.348 0.000 1.290 340 W CB -0.874 28.423 29.460 -0.271 0.000 1.152 340 W HN 0.048 nan 8.180 nan 0.000 0.489 341 Y N 0.243 120.634 120.300 0.151 0.000 2.114 341 Y HA -0.318 4.232 4.550 0.001 0.000 0.282 341 Y C 2.476 178.380 175.900 0.008 0.000 1.165 341 Y CA 1.589 59.730 58.100 0.068 0.000 1.148 341 Y CB -1.644 36.849 38.460 0.054 0.000 0.972 341 Y HN -0.038 nan 8.280 nan 0.000 0.504 342 A N -0.112 122.780 122.820 0.119 0.000 1.859 342 A HA -0.206 4.116 4.320 0.002 0.000 0.217 342 A C 2.467 180.024 177.584 -0.045 0.000 1.198 342 A CA 2.536 54.583 52.037 0.016 0.000 0.629 342 A CB -1.344 17.641 19.000 -0.026 0.000 0.830 342 A HN 0.249 nan 8.150 nan 0.000 0.446 343 V N 0.346 120.146 119.914 -0.190 0.000 2.343 343 V HA -0.270 3.851 4.120 0.002 0.000 0.247 343 V C 2.656 178.773 176.094 0.039 0.000 1.051 343 V CA 2.246 64.470 62.300 -0.127 0.000 1.036 343 V CB -0.931 30.710 31.823 -0.304 0.000 0.654 343 V HN 0.678 nan 8.190 nan 0.000 0.451 344 R N -0.037 120.515 120.500 0.086 0.000 2.103 344 R HA -0.214 4.127 4.340 0.002 0.000 0.242 344 R C 2.287 178.647 176.300 0.099 0.000 1.142 344 R CA 2.348 58.523 56.100 0.124 0.000 0.960 344 R CB -0.537 29.846 30.300 0.138 0.000 0.858 344 R HN 0.550 nan 8.270 nan 0.000 0.439 345 T N 0.783 115.387 114.554 0.083 0.000 2.668 345 T HA -0.093 4.259 4.350 0.002 0.000 0.262 345 T C 1.872 176.601 174.700 0.049 0.000 1.045 345 T CA 1.485 63.623 62.100 0.064 0.000 1.152 345 T CB -0.505 68.396 68.868 0.056 0.000 0.864 345 T HN 0.493 nan 8.240 nan 0.000 0.419 346 A N 1.228 124.072 122.820 0.039 0.000 1.881 346 A HA -0.179 4.142 4.320 0.002 0.000 0.219 346 A C 2.597 180.206 177.584 0.043 0.000 1.215 346 A CA 2.256 54.313 52.037 0.033 0.000 0.648 346 A CB -1.404 17.611 19.000 0.025 0.000 0.832 346 A HN 0.340 nan 8.150 nan 0.000 0.455 347 V N 0.174 120.126 119.914 0.063 0.000 2.282 347 V HA -0.318 3.803 4.120 0.002 0.000 0.249 347 V C 2.464 178.592 176.094 0.057 0.000 1.057 347 V CA 2.225 64.570 62.300 0.074 0.000 1.032 347 V CB -0.713 31.184 31.823 0.122 0.000 0.645 347 V HN 0.586 nan 8.190 nan 0.000 0.447 348 I N 0.332 120.937 120.570 0.060 0.000 2.142 348 I HA -0.244 3.928 4.170 0.002 0.000 0.240 348 I C 2.414 178.548 176.117 0.029 0.000 1.078 348 I CA 1.698 63.025 61.300 0.045 0.000 1.343 348 I CB -0.601 37.429 38.000 0.050 0.000 1.046 348 I HN 0.390 nan 8.210 nan 0.000 0.405 349 N N 1.239 119.956 118.700 0.028 0.000 2.120 349 N HA -0.138 4.604 4.740 0.002 0.000 0.188 349 N C 1.877 177.395 175.510 0.013 0.000 1.024 349 N CA 1.664 54.725 53.050 0.019 0.000 0.852 349 N CB -0.473 38.025 38.487 0.019 0.000 1.003 349 N HN 0.363 nan 8.380 nan 0.000 0.424 350 A N 0.968 123.797 122.820 0.015 0.000 1.902 350 A HA 0.049 4.370 4.320 0.002 0.000 0.217 350 A C 2.368 179.954 177.584 0.003 0.000 1.181 350 A CA 1.950 53.992 52.037 0.009 0.000 0.623 350 A CB -0.865 18.142 19.000 0.010 0.000 0.818 350 A HN 0.317 nan 8.150 nan 0.000 0.443 351 A N 0.222 123.046 122.820 0.007 0.000 1.902 351 A HA -0.078 4.243 4.320 0.002 0.000 0.217 351 A C 2.466 180.045 177.584 -0.008 0.000 1.181 351 A CA 2.299 54.335 52.037 -0.003 0.000 0.623 351 A CB -0.873 18.128 19.000 0.001 0.000 0.818 351 A HN 1.026 nan 8.150 nan 0.000 0.443 352 S N -2.144 113.556 115.700 -0.001 0.000 2.489 352 S HA 0.337 4.808 4.470 0.002 0.000 0.228 352 S C 1.564 176.161 174.600 -0.005 0.000 0.995 352 S CA 1.213 59.411 58.200 -0.004 0.000 0.934 352 S CB -0.228 62.974 63.200 0.002 0.000 0.771 352 S HN 1.937 nan 8.310 nan 0.000 0.522 353 G N 1.666 110.463 108.800 -0.004 0.000 2.199 353 G HA2 -0.313 3.648 3.960 0.002 0.000 0.254 353 G HA3 -0.313 3.648 3.960 0.002 0.000 0.254 353 G C 0.955 175.854 174.900 -0.001 0.000 0.982 353 G CA 0.313 45.410 45.100 -0.005 0.000 0.632 353 G HN 0.488 nan 8.290 nan 0.000 0.529 354 R N 0.025 120.526 120.500 0.001 0.000 2.139 354 R HA -0.042 4.299 4.340 0.002 0.000 0.243 354 R C 1.321 177.624 176.300 0.004 0.000 1.145 354 R CA 1.865 57.967 56.100 0.003 0.000 0.976 354 R CB -0.065 30.238 30.300 0.006 0.000 0.866 354 R HN 0.645 nan 8.270 nan 0.000 0.449 355 Q N -1.377 118.426 119.800 0.005 0.000 2.605 355 Q HA 0.238 4.579 4.340 0.002 0.000 0.296 355 Q C -0.809 175.193 176.000 0.005 0.000 1.056 355 Q CA -0.735 55.072 55.803 0.006 0.000 0.778 355 Q CB 2.173 30.916 28.738 0.009 0.000 1.497 355 Q HN 0.037 nan 8.270 nan 0.000 0.443 356 T N -2.753 111.805 114.554 0.005 0.000 2.918 356 T HA 0.293 4.645 4.350 0.002 0.000 0.283 356 T C 1.242 175.946 174.700 0.006 0.000 1.001 356 T CA -0.692 61.410 62.100 0.005 0.000 1.041 356 T CB 0.894 69.766 68.868 0.006 0.000 1.028 356 T HN 0.310 nan 8.240 nan 0.000 0.511 357 V N 1.526 121.443 119.914 0.004 0.000 2.231 357 V HA -0.225 3.897 4.120 0.002 0.000 0.250 357 V C 2.526 178.624 176.094 0.005 0.000 1.058 357 V CA 2.353 64.655 62.300 0.004 0.000 1.022 357 V CB -0.827 30.997 31.823 0.001 0.000 0.640 357 V HN 0.905 nan 8.190 nan 0.000 0.445 358 D N 0.055 120.460 120.400 0.007 0.000 2.123 358 D HA -0.155 4.487 4.640 0.002 0.000 0.196 358 D C 2.184 178.489 176.300 0.009 0.000 0.992 358 D CA 1.802 55.807 54.000 0.008 0.000 0.833 358 D CB -0.419 40.388 40.800 0.011 0.000 0.954 358 D HN 0.477 nan 8.370 nan 0.000 0.455 359 A N 1.032 123.857 122.820 0.010 0.000 1.855 359 A HA 0.001 4.322 4.320 0.002 0.000 0.215 359 A C 2.337 179.928 177.584 0.012 0.000 1.191 359 A CA 2.360 54.403 52.037 0.011 0.000 0.613 359 A CB -0.917 18.088 19.000 0.010 0.000 0.829 359 A HN 0.232 nan 8.150 nan 0.000 0.442 360 A N -0.168 122.658 122.820 0.011 0.000 1.865 360 A HA -0.106 4.216 4.320 0.002 0.000 0.217 360 A C 2.202 179.794 177.584 0.013 0.000 1.191 360 A CA 1.641 53.686 52.037 0.013 0.000 0.623 360 A CB -0.783 18.226 19.000 0.015 0.000 0.826 360 A HN 0.476 nan 8.150 nan 0.000 0.444 361 L N -0.845 120.384 121.223 0.010 0.000 2.079 361 L HA -0.236 4.105 4.340 0.002 0.000 0.210 361 L C 3.095 179.971 176.870 0.009 0.000 1.081 361 L CA 1.102 55.947 54.840 0.008 0.000 0.752 361 L CB -0.596 41.464 42.059 0.002 0.000 0.896 361 L HN 0.474 nan 8.230 nan 0.000 0.433 362 A N -0.080 122.746 122.820 0.011 0.000 1.933 362 A HA -0.157 4.165 4.320 0.002 0.000 0.218 362 A C 2.503 180.098 177.584 0.019 0.000 1.175 362 A CA 1.733 53.779 52.037 0.014 0.000 0.628 362 A CB -0.559 18.450 19.000 0.015 0.000 0.814 362 A HN 0.422 nan 8.150 nan 0.000 0.444 363 A N -0.271 122.560 122.820 0.018 0.000 1.897 363 A HA 0.270 4.591 4.320 0.002 0.000 0.215 363 A C 2.484 180.082 177.584 0.024 0.000 1.181 363 A CA 1.714 53.764 52.037 0.021 0.000 0.620 363 A CB -0.943 18.069 19.000 0.019 0.000 0.821 363 A HN 0.998 nan 8.150 nan 0.000 0.443 364 A N -0.650 122.180 122.820 0.017 0.000 1.908 364 A HA -0.250 4.071 4.320 0.002 0.000 0.218 364 A C 2.204 179.802 177.584 0.022 0.000 1.181 364 A CA 1.859 53.900 52.037 0.008 0.000 0.627 364 A CB -0.612 18.379 19.000 -0.015 0.000 0.818 364 A HN 0.653 nan 8.150 nan 0.000 0.445 365 Q N -0.964 118.851 119.800 0.026 0.000 2.050 365 Q HA -0.169 4.173 4.340 0.002 0.000 0.202 365 Q C 2.141 178.179 176.000 0.062 0.000 0.980 365 Q CA 2.167 57.993 55.803 0.040 0.000 0.840 365 Q CB -0.306 28.447 28.738 0.026 0.000 0.898 365 Q HN 0.608 nan 8.270 nan 0.000 0.424 366 T N 1.303 115.887 114.554 0.050 0.000 2.652 366 T HA -0.173 4.178 4.350 0.002 0.000 0.267 366 T C 1.571 176.311 174.700 0.066 0.000 1.039 366 T CA 1.492 63.625 62.100 0.054 0.000 1.153 366 T CB -0.405 68.487 68.868 0.041 0.000 0.863 366 T HN 0.407 nan 8.240 nan 0.000 0.428 367 N N 1.118 119.855 118.700 0.062 0.000 2.216 367 N HA -0.026 4.716 4.740 0.002 0.000 0.183 367 N C 2.060 177.632 175.510 0.103 0.000 1.017 367 N CA 1.263 54.355 53.050 0.069 0.000 0.861 367 N CB -0.196 38.324 38.487 0.054 0.000 0.986 367 N HN 0.363 nan 8.380 nan 0.000 0.428 368 A N 0.476 123.368 122.820 0.120 0.000 2.067 368 A HA 0.140 4.461 4.320 0.002 0.000 0.219 368 A C 2.051 179.804 177.584 0.281 0.000 1.158 368 A CA 1.466 53.623 52.037 0.200 0.000 0.661 368 A CB -0.475 18.636 19.000 0.184 0.000 0.801 368 A HN 0.435 nan 8.150 nan 0.000 0.452 369 A N -1.130 121.818 122.820 0.213 0.000 2.275 369 A HA 0.657 4.979 4.320 0.002 0.000 0.212 369 A C 1.254 178.910 177.584 0.121 0.000 1.201 369 A CA 0.690 52.852 52.037 0.207 0.000 0.843 369 A CB -0.565 18.541 19.000 0.177 0.000 0.873 369 A HN 0.771 nan 8.150 nan 0.000 0.492 1029 R N 0.472 120.995 120.500 0.038 0.000 2.500 1029 R HA 0.307 4.648 4.340 0.002 0.000 0.277 1029 R C 0.884 177.221 176.300 0.061 0.000 1.026 1029 R CA -0.553 55.576 56.100 0.048 0.000 1.058 1029 R CB 1.202 31.532 30.300 0.049 0.000 1.078 1029 R HN 0.770 nan 8.270 nan 0.000 0.509 1030 c N 1.121 119.764 118.600 0.072 0.000 2.432 1030 c HA -0.124 4.447 4.570 0.002 0.000 0.277 1030 c C 2.653 176.810 174.090 0.111 0.000 1.249 1030 c CA 1.126 57.522 56.329 0.111 0.000 1.725 1030 c CB -0.524 42.040 42.510 0.089 0.000 2.028 1030 c HN 0.771 nan 8.230 nan 0.000 0.477 1031 Q N -0.043 119.800 119.800 0.071 0.000 2.096 1031 Q HA -0.205 4.137 4.340 0.002 0.000 0.204 1031 Q C 2.339 178.382 176.000 0.071 0.000 0.982 1031 Q CA 2.203 58.043 55.803 0.062 0.000 0.850 1031 Q CB -0.374 28.388 28.738 0.041 0.000 0.901 1031 Q HN 0.718 nan 8.270 nan 0.000 0.422 1032 S N -0.106 115.631 115.700 0.062 0.000 2.353 1032 S HA -0.247 4.224 4.470 0.002 0.000 0.222 1032 S C 1.897 176.536 174.600 0.064 0.000 1.035 1032 S CA 1.822 60.053 58.200 0.052 0.000 1.025 1032 S CB -0.189 63.030 63.200 0.031 0.000 0.902 1032 S HN 0.502 nan 8.310 nan 0.000 0.440 1033 Q N 0.172 120.016 119.800 0.074 0.000 2.096 1033 Q HA -0.055 4.287 4.340 0.002 0.000 0.204 1033 Q C 2.284 178.407 176.000 0.205 0.000 0.982 1033 Q CA 1.699 57.540 55.803 0.064 0.000 0.850 1033 Q CB -0.276 28.459 28.738 -0.005 0.000 0.901 1033 Q HN 0.540 nan 8.270 nan 0.000 0.422 1034 L N 0.231 121.616 121.223 0.270 0.000 2.012 1034 L HA -0.241 4.100 4.340 0.002 0.000 0.210 1034 L C 2.206 179.163 176.870 0.144 0.000 1.073 1034 L CA 1.418 56.397 54.840 0.231 0.000 0.748 1034 L CB -0.380 41.753 42.059 0.123 0.000 0.891 1034 L HN 0.268 nan 8.230 nan 0.000 0.431 1035 E N -0.101 120.160 120.200 0.101 0.000 2.058 1035 E HA -0.232 4.120 4.350 0.002 0.000 0.194 1035 E C 2.272 178.919 176.600 0.078 0.000 0.997 1035 E CA 1.233 57.679 56.400 0.077 0.000 0.801 1035 E CB -0.035 29.706 29.700 0.067 0.000 0.746 1035 E HN 0.407 nan 8.360 nan 0.000 0.450 1036 R N 0.515 121.061 120.500 0.076 0.000 2.235 1036 R HA 0.113 4.454 4.340 0.002 0.000 0.213 1036 R C 0.657 176.994 176.300 0.061 0.000 1.059 1036 R CA 0.264 56.397 56.100 0.055 0.000 0.997 1036 R CB -0.015 30.302 30.300 0.028 0.000 0.884 1036 R HN -0.002 nan 8.270 nan 0.000 0.462 1037 A N 2.348 125.232 122.820 0.107 0.000 2.477 1037 A HA 0.061 4.382 4.320 0.002 0.000 0.246 1037 A C -0.212 177.431 177.584 0.099 0.000 1.078 1037 A CA -0.235 51.885 52.037 0.139 0.000 0.770 1037 A CB 0.140 19.319 19.000 0.299 0.000 1.011 1037 A HN 0.171 nan 8.150 nan 0.000 0.494 1038 N N 2.502 121.252 118.700 0.082 0.000 2.626 1038 N HA 0.348 5.090 4.740 0.002 0.000 0.242 1038 N C -0.156 175.394 175.510 0.068 0.000 1.005 1038 N CA -0.373 52.715 53.050 0.063 0.000 0.905 1038 N CB 0.356 38.872 38.487 0.047 0.000 1.128 1038 N HN 0.519 nan 8.380 nan 0.000 0.512 1039 L N 1.892 123.155 121.223 0.065 0.000 2.592 1039 L HA 0.222 4.564 4.340 0.002 0.000 0.227 1039 L C 2.141 179.038 176.870 0.045 0.000 1.127 1039 L CA -0.175 54.703 54.840 0.063 0.000 0.884 1039 L CB -0.134 41.958 42.059 0.055 0.000 1.065 1039 L HN 0.427 nan 8.230 nan 0.000 0.457 1040 R N 1.743 122.264 120.500 0.035 0.000 2.136 1040 R HA -0.197 4.145 4.340 0.002 0.000 0.242 1040 R C -0.645 175.652 176.300 -0.004 0.000 1.131 1040 R CA 2.239 58.349 56.100 0.017 0.000 0.937 1040 R CB -1.498 28.812 30.300 0.016 0.000 0.863 1040 R HN 0.130 nan 8.270 nan 0.000 0.435 1041 P HA -0.186 nan 4.420 nan 0.000 0.216 1041 P C 1.010 178.306 177.300 -0.006 0.000 1.154 1041 P CA 1.651 64.751 63.100 0.001 0.000 0.865 1041 P CB -0.154 31.593 31.700 0.078 0.000 0.789 1042 c N -0.859 117.761 118.600 0.033 0.000 2.446 1042 c HA -0.100 4.471 4.570 0.002 0.000 0.277 1042 c C 2.552 176.686 174.090 0.073 0.000 1.275 1042 c CA 0.731 57.096 56.329 0.060 0.000 1.727 1042 c CB -1.568 40.971 42.510 0.048 0.000 2.010 1042 c HN 0.334 nan 8.230 nan 0.000 0.486 1043 E N 0.711 120.946 120.200 0.059 0.000 2.012 1043 E HA -0.274 4.077 4.350 0.002 0.000 0.197 1043 E C 2.220 178.848 176.600 0.046 0.000 1.007 1043 E CA 1.409 57.866 56.400 0.095 0.000 0.816 1043 E CB -0.327 29.411 29.700 0.062 0.000 0.762 1043 E HN 0.656 nan 8.360 nan 0.000 0.451 1044 Q N -0.245 119.517 119.800 -0.063 0.000 2.062 1044 Q HA -0.287 4.055 4.340 0.002 0.000 0.209 1044 Q C 2.212 178.140 176.000 -0.119 0.000 0.996 1044 Q CA 2.063 57.765 55.803 -0.167 0.000 0.859 1044 Q CB -0.361 28.099 28.738 -0.464 0.000 0.920 1044 Q HN 0.385 nan 8.270 nan 0.000 0.415 1045 H N 0.461 119.421 119.070 -0.184 0.000 2.265 1045 H HA -0.161 4.396 4.556 0.001 0.000 0.295 1045 H C 1.829 177.135 175.328 -0.036 0.000 1.084 1045 H CA 2.060 58.070 56.048 -0.062 0.000 1.261 1045 H CB -0.378 29.373 29.762 -0.019 0.000 1.360 1045 H HN 0.145 nan 8.280 nan 0.000 0.487 1046 L N -0.714 120.398 121.223 -0.185 0.000 2.012 1046 L HA -0.230 4.112 4.340 0.002 0.000 0.210 1046 L C 2.712 179.508 176.870 -0.122 0.000 1.073 1046 L CA 1.290 55.958 54.840 -0.287 0.000 0.748 1046 L CB -0.430 41.410 42.059 -0.365 0.000 0.891 1046 L HN 0.389 nan 8.230 nan 0.000 0.431 1047 M N -0.518 119.114 119.600 0.052 0.000 2.082 1047 M HA -0.286 4.195 4.480 0.002 0.000 0.258 1047 M C 2.350 178.641 176.300 -0.016 0.000 1.071 1047 M CA 1.948 57.292 55.300 0.074 0.000 1.103 1047 M CB -1.232 31.399 32.600 0.051 0.000 1.307 1047 M HN 0.329 nan 8.290 nan 0.000 0.409 1048 Q N -0.262 119.507 119.800 -0.051 0.000 2.045 1048 Q HA -0.252 4.090 4.340 0.002 0.000 0.206 1048 Q C 2.102 178.053 176.000 -0.083 0.000 0.991 1048 Q CA 1.925 57.700 55.803 -0.047 0.000 0.851 1048 Q CB -0.504 28.224 28.738 -0.017 0.000 0.911 1048 Q HN 0.490 nan 8.270 nan 0.000 0.418 1049 K N 0.781 121.070 120.400 -0.184 0.000 2.218 1049 K HA -0.175 4.146 4.320 0.002 0.000 0.205 1049 K C 1.884 178.418 176.600 -0.111 0.000 1.046 1049 K CA 1.019 57.193 56.287 -0.188 0.000 0.933 1049 K CB -0.074 32.216 32.500 -0.351 0.000 0.728 1049 K HN 0.220 nan 8.250 nan 0.000 0.454 1050 I N 0.527 121.044 120.570 -0.088 0.000 2.353 1050 I HA -0.248 3.923 4.170 0.002 0.000 0.248 1050 I C 2.123 178.221 176.117 -0.030 0.000 1.119 1050 I CA 0.994 62.262 61.300 -0.053 0.000 1.417 1050 I CB -0.123 37.867 38.000 -0.016 0.000 1.078 1050 I HN 0.235 nan 8.210 nan 0.000 0.421 1051 Q N 0.682 120.468 119.800 -0.023 0.000 2.050 1051 Q HA -0.150 4.191 4.340 0.002 0.000 0.202 1051 Q C 2.133 178.128 176.000 -0.008 0.000 0.980 1051 Q CA 1.514 57.311 55.803 -0.011 0.000 0.840 1051 Q CB -0.234 28.501 28.738 -0.006 0.000 0.898 1051 Q HN 0.353 nan 8.270 nan 0.000 0.424 1052 R N -0.364 120.127 120.500 -0.014 0.000 2.328 1052 R HA -0.023 4.318 4.340 0.002 0.000 0.207 1052 R C 1.054 177.351 176.300 -0.005 0.000 1.056 1052 R CA 1.136 57.231 56.100 -0.007 0.000 1.016 1052 R CB -0.141 30.153 30.300 -0.009 0.000 0.872 1052 R HN 0.454 nan 8.270 nan 0.000 0.471 1053 D N 0.153 120.547 120.400 -0.009 0.000 2.395 1053 D HA 0.098 4.740 4.640 0.002 0.000 0.213 1053 D C 1.102 177.412 176.300 0.017 0.000 1.110 1053 D CA 0.463 54.464 54.000 0.002 0.000 0.835 1053 D CB 0.082 40.875 40.800 -0.011 0.000 0.965 1053 D HN 0.461 nan 8.370 nan 0.000 0.505 1054 E N -0.469 119.739 120.200 0.013 0.000 2.359 1054 E HA 0.448 4.799 4.350 0.002 0.000 0.187 1054 E C 0.589 177.202 176.600 0.023 0.000 1.081 1054 E CA 0.823 57.236 56.400 0.022 0.000 0.929 1054 E CB -1.107 28.601 29.700 0.015 0.000 1.086 1054 E HN 1.031 nan 8.360 nan 0.000 0.462 1055 D N -2.017 118.396 120.400 0.022 0.000 3.899 1055 D HA 0.537 5.178 4.640 0.002 0.000 0.168 1055 D C 0.145 176.455 176.300 0.016 0.000 1.210 1055 D CA 0.495 54.506 54.000 0.019 0.000 1.557 1055 D CB -1.225 39.584 40.800 0.015 0.000 1.004 1055 D HN 1.085 nan 8.370 nan 0.000 0.866 1060 D N 0.878 121.291 120.400 0.021 0.000 2.802 1060 D HA -0.025 4.616 4.640 0.002 0.000 0.229 1060 D C -1.232 175.095 176.300 0.046 0.000 1.203 1060 D CA 0.920 54.937 54.000 0.028 0.000 0.712 1060 D CB -1.603 39.214 40.800 0.028 0.000 0.973 1060 D HN 0.920 nan 8.370 nan 0.000 0.407 1061 P HA 0.385 nan 4.420 nan 0.000 0.272 1061 P C 0.547 177.905 177.300 0.097 0.000 1.230 1061 P CA -0.452 62.686 63.100 0.064 0.000 0.788 1061 P CB 0.550 32.271 31.700 0.036 0.000 0.949 1062 Y N 1.014 121.313 120.300 -0.002 0.000 2.262 1062 Y HA 0.026 4.578 4.550 0.003 0.000 0.295 1062 Y C 0.851 176.752 175.900 0.001 0.000 1.121 1062 Y CA 1.236 59.336 58.100 -0.001 0.000 1.144 1062 Y CB 0.104 38.565 38.460 0.000 0.000 1.043 1062 Y HN 0.421 nan 8.280 nan 0.000 0.528 1063 S N -1.296 114.380 115.700 -0.040 0.000 2.671 1063 S HA 0.435 4.907 4.470 0.002 0.000 0.299 1063 S C -2.271 172.306 174.600 -0.040 0.000 1.116 1063 S CA -1.396 56.734 58.200 -0.117 0.000 0.912 1063 S CB 1.709 64.898 63.200 -0.019 0.000 1.130 1063 S HN -0.101 nan 8.310 nan 0.000 0.501 1064 P HA 0.017 nan 4.420 nan 0.000 0.228 1064 P C 1.237 178.535 177.300 -0.003 0.000 1.151 1064 P CA 0.866 63.952 63.100 -0.024 0.000 0.770 1064 P CB 0.045 31.729 31.700 -0.028 0.000 0.786 1065 S N -0.765 114.941 115.700 0.009 0.000 2.425 1065 S HA -0.105 4.366 4.470 0.002 0.000 0.225 1065 S C 2.088 176.705 174.600 0.028 0.000 1.024 1065 S CA 1.268 59.481 58.200 0.021 0.000 0.951 1065 S CB -0.778 62.442 63.200 0.033 0.000 0.796 1065 S HN 0.166 nan 8.310 nan 0.000 0.498 1066 Q N -0.133 119.691 119.800 0.039 0.000 2.415 1066 Q HA 0.222 4.563 4.340 0.002 0.000 0.206 1066 Q C 0.240 176.256 176.000 0.027 0.000 0.946 1066 Q CA 0.811 56.639 55.803 0.042 0.000 0.951 1066 Q CB -0.498 28.283 28.738 0.070 0.000 1.026 1066 Q HN 0.555 nan 8.270 nan 0.000 0.510 1067 D N 0.578 120.989 120.400 0.017 0.000 2.607 1067 D HA 0.359 5.001 4.640 0.002 0.000 0.318 1067 D C -2.332 173.973 176.300 0.007 0.000 1.212 1067 D CA -1.373 52.633 54.000 0.010 0.000 0.861 1067 D CB 1.102 41.904 40.800 0.004 0.000 1.064 1067 D HN 0.356 nan 8.370 nan 0.000 0.500 1085 Q N 1.681 121.437 119.800 -0.074 0.000 2.112 1085 Q HA -0.240 4.101 4.340 0.002 0.000 0.206 1085 Q C 1.970 177.859 176.000 -0.186 0.000 0.987 1085 Q CA 2.373 57.938 55.803 -0.395 0.000 0.858 1085 Q CB 0.254 28.765 28.738 -0.378 0.000 0.905 1085 Q HN 0.529 nan 8.270 nan 0.000 0.420 1086 E N -0.504 119.643 120.200 -0.087 0.000 2.023 1086 E HA -0.268 4.083 4.350 0.002 0.000 0.196 1086 E C 2.182 178.763 176.600 -0.033 0.000 1.003 1086 E CA 1.602 57.970 56.400 -0.054 0.000 0.809 1086 E CB -0.167 29.512 29.700 -0.036 0.000 0.755 1086 E HN 0.102 nan 8.360 nan 0.000 0.449 1087 R N -0.128 120.368 120.500 -0.007 0.000 2.105 1087 R HA -0.157 4.184 4.340 0.002 0.000 0.239 1087 R C 2.443 178.755 176.300 0.020 0.000 1.135 1087 R CA 1.514 57.625 56.100 0.019 0.000 0.967 1087 R CB -1.689 28.645 30.300 0.055 0.000 0.861 1087 R HN 0.695 nan 8.270 nan 0.000 0.442 1088 c N -0.532 118.071 118.600 0.006 0.000 2.413 1088 c HA -0.139 4.432 4.570 0.002 0.000 0.278 1088 c C 2.979 177.067 174.090 -0.004 0.000 1.224 1088 c CA 1.313 57.639 56.329 -0.004 0.000 1.732 1088 c CB -1.557 40.915 42.510 -0.063 0.000 2.050 1088 c HN 0.789 nan 8.230 nan 0.000 0.463 1089 c N 1.036 119.614 118.600 -0.037 0.000 2.425 1089 c HA -0.093 4.478 4.570 0.002 0.000 0.277 1089 c C 2.690 176.781 174.090 0.002 0.000 1.280 1089 c CA 1.477 57.795 56.329 -0.018 0.000 1.744 1089 c CB -1.947 40.540 42.510 -0.039 0.000 1.989 1089 c HN 0.781 nan 8.230 nan 0.000 0.491 1090 N N 0.794 119.491 118.700 -0.005 0.000 2.094 1090 N HA -0.152 4.589 4.740 0.002 0.000 0.191 1090 N C 1.718 177.228 175.510 0.000 0.000 1.023 1090 N CA 1.485 54.532 53.050 -0.006 0.000 0.857 1090 N CB -0.194 38.289 38.487 -0.006 0.000 1.013 1090 N HN 0.556 nan 8.380 nan 0.000 0.426 1091 E N 0.710 120.926 120.200 0.027 0.000 2.046 1091 E HA -0.048 4.304 4.350 0.002 0.000 0.190 1091 E C 2.252 178.918 176.600 0.111 0.000 0.982 1091 E CA 0.339 56.773 56.400 0.056 0.000 0.800 1091 E CB -0.303 29.452 29.700 0.091 0.000 0.756 1091 E HN 0.443 nan 8.360 nan 0.000 0.449 1092 L N 1.469 122.785 121.223 0.154 0.000 2.201 1092 L HA -0.143 4.198 4.340 0.002 0.000 0.212 1092 L C 1.883 178.858 176.870 0.174 0.000 1.105 1092 L CA 0.480 55.485 54.840 0.275 0.000 0.775 1092 L CB -0.537 41.620 42.059 0.163 0.000 0.913 1092 L HN 0.046 nan 8.230 nan 0.000 0.440 1093 N N 0.266 118.990 118.700 0.041 0.000 2.247 1093 N HA -0.203 4.538 4.740 0.002 0.000 0.189 1093 N C 1.629 177.082 175.510 -0.096 0.000 1.009 1093 N CA 1.054 54.096 53.050 -0.014 0.000 0.872 1093 N CB -0.157 38.311 38.487 -0.032 0.000 0.980 1093 N HN 0.323 nan 8.380 nan 0.000 0.436 1094 E N -0.643 119.402 120.200 -0.258 0.000 2.409 1094 E HA -0.049 4.303 4.350 0.002 0.000 0.198 1094 E C 0.225 176.427 176.600 -0.664 0.000 1.024 1094 E CA 0.456 56.540 56.400 -0.526 0.000 0.861 1094 E CB -0.104 29.138 29.700 -0.763 0.000 0.788 1094 E HN 0.459 nan 8.360 nan 0.000 0.521 1095 F N -0.282 119.668 119.950 0.000 0.000 2.708 1095 F HA 0.181 4.708 4.527 0.000 0.000 0.300 1095 F C 1.758 177.559 175.800 0.001 0.000 1.118 1095 F CA -0.348 57.653 58.000 0.002 0.000 1.307 1095 F CB 0.326 39.327 39.000 0.001 0.000 0.986 1095 F HN -0.110 nan 8.300 nan 0.000 0.522 1096 E N 0.783 121.032 120.200 0.082 0.000 2.347 1096 E HA -0.093 4.258 4.350 0.002 0.000 0.196 1096 E C 1.130 177.758 176.600 0.048 0.000 1.008 1096 E CA 1.266 57.702 56.400 0.060 0.000 0.852 1096 E CB -0.101 29.613 29.700 0.023 0.000 0.783 1096 E HN 0.136 nan 8.360 nan 0.000 0.505 1097 N N 0.311 119.037 118.700 0.043 0.000 2.203 1097 N HA 0.058 4.799 4.740 0.002 0.000 0.207 1097 N C -0.719 174.820 175.510 0.049 0.000 1.130 1097 N CA 0.035 53.106 53.050 0.036 0.000 0.861 1097 N CB 0.592 39.090 38.487 0.019 0.000 1.005 1097 N HN 0.003 nan 8.380 nan 0.000 0.507 1098 N N 0.697 119.443 118.700 0.076 0.000 2.594 1098 N HA 0.149 4.890 4.740 0.002 0.000 0.280 1098 N C 0.201 175.764 175.510 0.087 0.000 1.156 1098 N CA -0.068 53.029 53.050 0.079 0.000 0.831 1098 N CB 1.191 39.735 38.487 0.095 0.000 1.379 1098 N HN -0.271 nan 8.380 nan 0.000 0.536 1099 Q N 1.337 121.169 119.800 0.054 0.000 2.123 1099 Q HA 0.098 4.439 4.340 0.002 0.000 0.199 1099 Q C 1.795 177.807 176.000 0.020 0.000 0.966 1099 Q CA 1.188 57.014 55.803 0.039 0.000 0.845 1099 Q CB -0.008 28.745 28.738 0.025 0.000 0.907 1099 Q HN 0.599 nan 8.270 nan 0.000 0.439 1100 R N -0.210 120.301 120.500 0.018 0.000 2.096 1100 R HA -0.221 4.121 4.340 0.002 0.000 0.240 1100 R C 2.220 178.515 176.300 -0.008 0.000 1.139 1100 R CA 1.766 57.868 56.100 0.003 0.000 0.952 1100 R CB -0.828 29.477 30.300 0.008 0.000 0.854 1100 R HN 0.437 nan 8.270 nan 0.000 0.436 1101 c N 0.465 119.079 118.600 0.024 0.000 2.432 1101 c HA -0.110 4.461 4.570 0.002 0.000 0.277 1101 c C 2.766 176.778 174.090 -0.129 0.000 1.249 1101 c CA 1.158 57.500 56.329 0.022 0.000 1.725 1101 c CB -0.792 41.833 42.510 0.192 0.000 2.028 1101 c HN 0.716 nan 8.230 nan 0.000 0.477 1102 M N 0.543 120.116 119.600 -0.045 0.000 2.106 1102 M HA -0.154 4.327 4.480 0.002 0.000 0.259 1102 M C 2.304 178.491 176.300 -0.188 0.000 1.068 1102 M CA 2.444 57.665 55.300 -0.131 0.000 1.100 1102 M CB -1.378 31.230 32.600 0.013 0.000 1.351 1102 M HN 0.626 nan 8.290 nan 0.000 0.404 1103 c N 0.604 119.140 118.600 -0.107 0.000 2.413 1103 c HA -0.195 4.376 4.570 0.002 0.000 0.277 1103 c C 2.417 176.431 174.090 -0.126 0.000 1.228 1103 c CA 1.898 58.172 56.329 -0.092 0.000 1.731 1103 c CB -1.263 41.216 42.510 -0.052 0.000 2.042 1103 c HN 0.688 nan 8.230 nan 0.000 0.468 1104 E N 0.398 120.515 120.200 -0.138 0.000 2.097 1104 E HA -0.211 4.140 4.350 0.002 0.000 0.196 1104 E C 2.400 178.877 176.600 -0.206 0.000 1.000 1104 E CA 1.451 57.768 56.400 -0.138 0.000 0.804 1104 E CB -0.345 29.291 29.700 -0.106 0.000 0.740 1104 E HN 0.776 nan 8.360 nan 0.000 0.454 1105 A N 1.220 123.806 122.820 -0.389 0.000 1.940 1105 A HA -0.173 4.149 4.320 0.002 0.000 0.219 1105 A C 2.210 179.654 177.584 -0.233 0.000 1.176 1105 A CA 1.138 52.897 52.037 -0.464 0.000 0.631 1105 A CB -0.616 17.773 19.000 -1.018 0.000 0.814 1105 A HN 0.130 nan 8.150 nan 0.000 0.446 1106 L N -1.102 120.010 121.223 -0.185 0.000 2.056 1106 L HA -0.239 4.103 4.340 0.002 0.000 0.207 1106 L C 2.856 179.700 176.870 -0.044 0.000 1.078 1106 L CA 1.520 56.305 54.840 -0.091 0.000 0.749 1106 L CB -0.713 41.300 42.059 -0.076 0.000 0.901 1106 L HN 0.460 nan 8.230 nan 0.000 0.433 1107 Q N -0.261 119.504 119.800 -0.057 0.000 2.096 1107 Q HA -0.303 4.038 4.340 0.002 0.000 0.204 1107 Q C 2.264 178.250 176.000 -0.022 0.000 0.982 1107 Q CA 1.820 57.605 55.803 -0.030 0.000 0.850 1107 Q CB -0.167 28.547 28.738 -0.040 0.000 0.901 1107 Q HN 0.497 nan 8.270 nan 0.000 0.422 1108 Q N 0.630 120.404 119.800 -0.043 0.000 2.084 1108 Q HA -0.183 4.159 4.340 0.002 0.000 0.202 1108 Q C 1.991 177.989 176.000 -0.003 0.000 0.978 1108 Q CA 1.224 57.010 55.803 -0.029 0.000 0.844 1108 Q CB -0.036 28.676 28.738 -0.043 0.000 0.898 1108 Q HN 0.416 nan 8.270 nan 0.000 0.426 1109 I N 0.107 120.684 120.570 0.011 0.000 2.179 1109 I HA -0.305 3.866 4.170 0.002 0.000 0.242 1109 I C 2.499 178.683 176.117 0.112 0.000 1.088 1109 I CA 1.024 62.364 61.300 0.067 0.000 1.357 1109 I CB -0.333 37.717 38.000 0.083 0.000 1.051 1109 I HN 0.394 nan 8.210 nan 0.000 0.409 1110 M N 1.356 121.030 119.600 0.123 0.000 2.082 1110 M HA -0.262 4.220 4.480 0.002 0.000 0.258 1110 M C 2.111 178.406 176.300 -0.008 0.000 1.071 1110 M CA 1.952 57.317 55.300 0.109 0.000 1.103 1110 M CB -0.610 32.044 32.600 0.090 0.000 1.307 1110 M HN 0.117 nan 8.290 nan 0.000 0.409 1111 E N -0.378 119.816 120.200 -0.010 0.000 2.070 1111 E HA -0.226 4.126 4.350 0.002 0.000 0.197 1111 E C 1.410 177.983 176.600 -0.045 0.000 1.004 1111 E CA 1.348 57.729 56.400 -0.031 0.000 0.805 1111 E CB -0.545 29.140 29.700 -0.024 0.000 0.744 1111 E HN 0.606 nan 8.360 nan 0.000 0.451 1112 N N 0.311 118.993 118.700 -0.030 0.000 2.567 1112 N HA -0.074 4.667 4.740 0.002 0.000 0.195 1112 N C 0.885 176.356 175.510 -0.065 0.000 1.242 1112 N CA 0.641 53.671 53.050 -0.034 0.000 0.884 1112 N CB 0.408 38.889 38.487 -0.010 0.000 1.007 1112 N HN 0.251 nan 8.380 nan 0.000 0.450 1113 Q N -1.643 118.086 119.800 -0.119 0.000 2.104 1113 Q HA 0.075 4.416 4.340 0.002 0.000 0.240 1113 Q C 1.736 177.582 176.000 -0.257 0.000 0.743 1113 Q CA 0.142 55.816 55.803 -0.216 0.000 0.920 1113 Q CB 0.028 28.546 28.738 -0.367 0.000 1.198 1113 Q HN 0.292 nan 8.270 nan 0.000 0.465 1114 S N 2.120 117.697 115.700 -0.205 0.000 2.402 1114 S HA -0.196 4.275 4.470 0.002 0.000 0.233 1114 S C 1.515 176.031 174.600 -0.140 0.000 1.030 1114 S CA 1.855 59.948 58.200 -0.178 0.000 1.003 1114 S CB -0.348 62.785 63.200 -0.112 0.000 0.813 1114 S HN 0.446 nan 8.310 nan 0.000 0.477 1115 D N 1.688 122.020 120.400 -0.114 0.000 2.234 1115 D HA -0.044 4.597 4.640 0.002 0.000 0.205 1115 D C 1.972 178.217 176.300 -0.092 0.000 0.962 1115 D CA 1.209 55.158 54.000 -0.086 0.000 0.855 1115 D CB -0.571 40.190 40.800 -0.066 0.000 0.951 1115 D HN 0.614 nan 8.370 nan 0.000 0.500 1116 R N 0.516 120.946 120.500 -0.116 0.000 2.310 1116 R HA 0.351 4.692 4.340 0.002 0.000 0.202 1116 R C 1.366 177.591 176.300 -0.126 0.000 0.933 1116 R CA 0.080 56.116 56.100 -0.107 0.000 1.054 1116 R CB -1.086 29.151 30.300 -0.105 0.000 0.985 1116 R HN 0.262 nan 8.270 nan 0.000 0.489 1117 L N 1.704 122.835 121.223 -0.154 0.000 2.270 1117 L HA 0.192 4.533 4.340 0.002 0.000 0.286 1117 L C 0.990 177.801 176.870 -0.098 0.000 1.059 1117 L CA -0.713 54.033 54.840 -0.156 0.000 0.839 1117 L CB 1.531 43.454 42.059 -0.227 0.000 1.221 1117 L HN 0.282 nan 8.230 nan 0.000 0.431 1118 Q N 2.426 122.183 119.800 -0.072 0.000 1.856 1118 Q HA -0.071 4.270 4.340 0.002 0.000 0.233 1118 Q C 1.274 177.250 176.000 -0.041 0.000 0.995 1118 Q CA 1.525 57.299 55.803 -0.049 0.000 0.877 1118 Q CB -0.162 28.555 28.738 -0.036 0.000 0.937 1118 Q HN 0.811 nan 8.270 nan 0.000 0.423 1119 G N -0.193 108.588 108.800 -0.032 0.000 2.590 1119 G HA2 0.039 4.000 3.960 0.002 0.000 0.276 1119 G HA3 0.039 4.000 3.960 0.002 0.000 0.276 1119 G C 0.776 175.664 174.900 -0.020 0.000 1.337 1119 G CA 0.432 45.521 45.100 -0.019 0.000 1.030 1119 G HN 0.430 nan 8.290 nan 0.000 0.534 1120 R N -1.681 118.817 120.500 -0.002 0.000 2.225 1120 R HA 0.083 4.424 4.340 0.002 0.000 0.194 1120 R C 2.358 178.672 176.300 0.024 0.000 0.949 1120 R CA 0.557 56.660 56.100 0.005 0.000 1.088 1120 R CB -0.208 30.100 30.300 0.014 0.000 1.106 1120 R HN 0.623 nan 8.270 nan 0.000 0.566 1121 Q N 0.776 120.602 119.800 0.044 0.000 2.152 1121 Q HA -0.264 4.077 4.340 0.002 0.000 0.206 1121 Q C 1.979 177.976 176.000 -0.006 0.000 0.985 1121 Q CA 2.002 57.851 55.803 0.078 0.000 0.863 1121 Q CB -0.183 28.621 28.738 0.109 0.000 0.904 1121 Q HN 0.479 nan 8.270 nan 0.000 0.422 1122 Q N 1.049 120.842 119.800 -0.012 0.000 2.020 1122 Q HA -0.256 4.085 4.340 0.002 0.000 0.202 1122 Q C 2.128 178.116 176.000 -0.020 0.000 0.982 1122 Q CA 1.820 57.606 55.803 -0.028 0.000 0.838 1122 Q CB 0.017 28.735 28.738 -0.034 0.000 0.899 1122 Q HN 0.469 nan 8.270 nan 0.000 0.423 1123 E N -0.051 120.131 120.200 -0.030 0.000 2.058 1123 E HA -0.275 4.076 4.350 0.002 0.000 0.194 1123 E C 1.979 178.605 176.600 0.044 0.000 0.997 1123 E CA 1.598 57.984 56.400 -0.023 0.000 0.801 1123 E CB -0.070 29.605 29.700 -0.042 0.000 0.746 1123 E HN 0.398 nan 8.360 nan 0.000 0.450 1124 Q N -0.314 119.493 119.800 0.011 0.000 2.311 1124 Q HA -0.092 4.249 4.340 0.002 0.000 0.203 1124 Q C 1.921 177.857 176.000 -0.107 0.000 0.954 1124 Q CA 0.898 56.707 55.803 0.010 0.000 0.885 1124 Q CB 0.144 28.921 28.738 0.066 0.000 0.963 1124 Q HN 0.381 nan 8.270 nan 0.000 0.471 1125 Q N -0.690 118.955 119.800 -0.259 0.000 2.482 1125 Q HA -0.091 4.250 4.340 0.002 0.000 0.209 1125 Q C 1.067 176.965 176.000 -0.170 0.000 0.961 1125 Q CA 0.331 55.851 55.803 -0.471 0.000 0.945 1125 Q CB 0.241 28.605 28.738 -0.624 0.000 1.012 1125 Q HN 0.346 nan 8.270 nan 0.000 0.515 1126 F N 0.062 119.902 119.950 -0.183 0.000 2.343 1126 F HA 0.137 4.664 4.527 0.001 0.000 0.286 1126 F C 1.736 177.481 175.800 -0.092 0.000 1.057 1126 F CA 0.487 58.413 58.000 -0.123 0.000 1.365 1126 F CB 0.271 39.214 39.000 -0.096 0.000 1.114 1126 F HN -0.143 nan 8.300 nan 0.000 0.545 1127 K N 0.908 121.400 120.400 0.153 0.000 2.020 1127 K HA -0.258 4.063 4.320 0.002 0.000 0.212 1127 K C 2.212 178.783 176.600 -0.048 0.000 1.050 1127 K CA 2.280 58.605 56.287 0.064 0.000 0.929 1127 K CB -0.484 32.059 32.500 0.072 0.000 0.714 1127 K HN 0.392 nan 8.250 nan 0.000 0.443 1128 R N 1.050 121.516 120.500 -0.056 0.000 2.081 1128 R HA -0.108 4.233 4.340 0.002 0.000 0.235 1128 R C 1.810 178.052 176.300 -0.097 0.000 1.131 1128 R CA 1.301 57.368 56.100 -0.054 0.000 0.960 1128 R CB -0.314 29.974 30.300 -0.020 0.000 0.856 1128 R HN 0.069 nan 8.270 nan 0.000 0.436 1129 E N 1.346 121.447 120.200 -0.165 0.000 2.031 1129 E HA -0.185 4.166 4.350 0.002 0.000 0.193 1129 E C 2.064 178.530 176.600 -0.223 0.000 0.994 1129 E CA 1.068 57.349 56.400 -0.198 0.000 0.800 1129 E CB -0.483 29.050 29.700 -0.278 0.000 0.752 1129 E HN 0.269 nan 8.360 nan 0.000 0.447 1130 L N 1.478 122.494 121.223 -0.345 0.000 2.043 1130 L HA -0.200 4.141 4.340 0.002 0.000 0.212 1130 L C 2.463 179.250 176.870 -0.138 0.000 1.075 1130 L CA 1.828 56.492 54.840 -0.293 0.000 0.752 1130 L CB -0.353 41.511 42.059 -0.326 0.000 0.891 1130 L HN -0.001 nan 8.230 nan 0.000 0.432 1131 R N -0.051 120.388 120.500 -0.101 0.000 2.096 1131 R HA -0.148 4.193 4.340 0.002 0.000 0.235 1131 R C 1.032 177.306 176.300 -0.042 0.000 1.127 1131 R CA 1.503 57.570 56.100 -0.055 0.000 0.968 1131 R CB -0.241 30.038 30.300 -0.033 0.000 0.861 1131 R HN 0.740 nan 8.270 nan 0.000 0.440 1132 N N -0.048 118.626 118.700 -0.044 0.000 2.320 1132 N HA -0.039 4.703 4.740 0.002 0.000 0.237 1132 N C 0.953 176.449 175.510 -0.024 0.000 1.129 1132 N CA -0.071 52.963 53.050 -0.026 0.000 0.854 1132 N CB 0.447 38.925 38.487 -0.016 0.000 1.083 1132 N HN 0.096 nan 8.380 nan 0.000 0.504 1133 L N 0.263 121.465 121.223 -0.036 0.000 2.056 1133 L HA 0.218 4.559 4.340 0.002 0.000 0.207 1133 L C -0.863 176.000 176.870 -0.010 0.000 1.078 1133 L CA 1.623 56.450 54.840 -0.022 0.000 0.749 1133 L CB -0.988 41.049 42.059 -0.036 0.000 0.901 1133 L HN 0.096 nan 8.230 nan 0.000 0.433 1134 P HA -0.218 nan 4.420 nan 0.000 0.215 1134 P C 1.468 178.771 177.300 0.004 0.000 1.153 1134 P CA 1.240 64.343 63.100 0.005 0.000 0.853 1134 P CB -0.187 31.518 31.700 0.009 0.000 0.788 1135 Q N -0.154 119.647 119.800 0.001 0.000 2.135 1135 Q HA -0.238 4.103 4.340 0.002 0.000 0.204 1135 Q C 1.945 177.946 176.000 0.001 0.000 0.981 1135 Q CA 1.659 57.463 55.803 0.002 0.000 0.856 1135 Q CB -0.516 28.223 28.738 0.001 0.000 0.902 1135 Q HN 0.283 nan 8.270 nan 0.000 0.425 1136 Q N -0.537 119.263 119.800 0.000 0.000 2.170 1136 Q HA -0.089 4.252 4.340 0.002 0.000 0.203 1136 Q C 2.001 177.995 176.000 -0.010 0.000 0.976 1136 Q CA 1.249 57.052 55.803 0.000 0.000 0.858 1136 Q CB -0.243 28.502 28.738 0.010 0.000 0.907 1136 Q HN 0.471 nan 8.270 nan 0.000 0.433 1137 c N -0.277 118.317 118.600 -0.011 0.000 2.673 1137 c HA 0.312 4.883 4.570 0.002 0.000 0.274 1137 c C 1.475 175.562 174.090 -0.004 0.000 1.276 1137 c CA 0.041 56.362 56.329 -0.014 0.000 1.701 1137 c CB -0.903 41.601 42.510 -0.009 0.000 1.836 1137 c HN 0.663 nan 8.230 nan 0.000 0.596 1138 G N 1.152 109.951 108.800 -0.001 0.000 2.179 1138 G HA2 -0.257 3.704 3.960 0.002 0.000 0.257 1138 G HA3 -0.257 3.704 3.960 0.002 0.000 0.257 1138 G C -0.110 174.794 174.900 0.007 0.000 1.010 1138 G CA 0.283 45.385 45.100 0.003 0.000 0.736 1138 G HN 0.565 nan 8.290 nan 0.000 0.513 1139 L N -1.008 120.222 121.223 0.012 0.000 2.365 1139 L HA 0.668 5.009 4.340 0.002 0.000 0.267 1139 L C 1.267 178.150 176.870 0.022 0.000 1.033 1139 L CA -1.350 53.503 54.840 0.022 0.000 0.802 1139 L CB 0.877 42.957 42.059 0.035 0.000 1.267 1139 L HN 0.057 nan 8.230 nan 0.000 0.457 1140 R N 0.520 121.037 120.500 0.028 0.000 2.531 1140 R HA 0.698 5.039 4.340 0.002 0.000 0.273 1140 R C -0.630 175.687 176.300 0.027 0.000 1.070 1140 R CA -0.460 55.655 56.100 0.025 0.000 1.112 1140 R CB 1.092 31.408 30.300 0.027 0.000 1.049 1140 R HN 0.712 nan 8.270 nan 0.000 0.508 1141 A N 2.722 125.553 122.820 0.018 0.000 2.423 1141 A HA 0.660 4.981 4.320 0.002 0.000 0.304 1141 A C -2.493 175.095 177.584 0.007 0.000 1.104 1141 A CA -1.825 50.219 52.037 0.010 0.000 0.757 1141 A CB 1.267 20.269 19.000 0.003 0.000 1.313 1141 A HN 0.435 nan 8.150 nan 0.000 0.423 1142 P HA 0.208 nan 4.420 nan 0.000 0.272 1142 P C 0.368 177.668 177.300 -0.001 0.000 1.223 1142 P CA -0.279 62.820 63.100 -0.001 0.000 0.784 1142 P CB 0.621 32.315 31.700 -0.011 0.000 0.923 1143 Q N 1.052 120.853 119.800 0.001 0.000 2.016 1143 Q HA -0.056 4.285 4.340 0.002 0.000 0.200 1143 Q C 0.467 176.466 176.000 -0.001 0.000 0.978 1143 Q CA 1.654 57.458 55.803 0.001 0.000 0.833 1143 Q CB 0.010 28.749 28.738 0.002 0.000 0.895 1143 Q HN 0.527 nan 8.270 nan 0.000 0.427 1144 R N -1.242 119.256 120.500 -0.003 0.000 2.778 1144 R HA 0.567 4.908 4.340 0.002 0.000 0.277 1144 R C -0.933 175.362 176.300 -0.008 0.000 0.977 1144 R CA -0.460 55.638 56.100 -0.004 0.000 0.950 1144 R CB 2.040 32.338 30.300 -0.003 0.000 1.165 1144 R HN 0.057 nan 8.270 nan 0.000 0.474 1145 c N 2.056 120.651 118.600 -0.008 0.000 3.044 1145 c HA 0.135 4.706 4.570 0.002 0.000 0.382 1145 c C -1.169 172.915 174.090 -0.009 0.000 1.071 1145 c CA -0.810 55.511 56.329 -0.013 0.000 1.296 1145 c CB 0.450 42.949 42.510 -0.019 0.000 1.730 1145 c HN 0.844 nan 8.230 nan 0.000 0.513 1146 D N 3.814 124.209 120.400 -0.009 0.000 2.371 1146 D HA 0.259 4.901 4.640 0.002 0.000 0.256 1146 D C 0.226 176.524 176.300 -0.004 0.000 1.193 1146 D CA 0.206 54.203 54.000 -0.005 0.000 0.881 1146 D CB 0.747 41.543 40.800 -0.006 0.000 1.143 1146 D HN 0.675 nan 8.370 nan 0.000 0.473 1147 L N 2.821 124.046 121.223 0.004 0.000 3.096 1147 L HA 0.263 4.604 4.340 0.002 0.000 0.247 1147 L C 1.155 178.032 176.870 0.011 0.000 1.321 1147 L CA -0.595 54.252 54.840 0.011 0.000 1.044 1147 L CB -0.474 41.602 42.059 0.027 0.000 1.434 1147 L HN 0.445 nan 8.230 nan 0.000 0.533 1148 D N 0.000 120.401 120.400 0.001 0.000 6.856 1148 D HA 0.000 4.641 4.640 0.002 0.000 0.175 1148 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 1148 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 1148 D HN 0.000 nan 8.370 nan 0.000 0.683