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 1ecb_1_A DATA FIRST_RESID 1 DATA SEQUENCE CGIVGIAGVM PVNQSIYDAL TVLQHRGQDA AGIITIDANN CFRLRKANGL DATA SEQUENCE VSDVFEARHM QRLQGNMGIG HVRYPTAGSS SASEAQPFYV NSPYGITLAH DATA SEQUENCE NGNLTNAHEL RKKLFEEKRR HINTTSDSEI LLNIFASELD NFRHYPLEAD DATA SEQUENCE NIFAAIAATN RLIRGAYACV AMIIGHGMVA FRDPNGIRPL VLGKRDIDEN DATA SEQUENCE RTEYMVASES VALDTLGFDF LRDVAPGEAI YITEEGQLFT RQCADNPVSN DATA SEQUENCE PCLFEYVYFA RPDSFIDKIS VYSARVNMGT KLGEKIAREW EDLDIDVVIP DATA SEQUENCE IPETSCDIAL EIARILGKPY RQGFVKNRYV GRTFIMPXXX XXXKSVRRKL DATA SEQUENCE NANRAEFRDK NVLLVDDSIV RGTTSEQIIE MAREAGAKKV YLASAAPEIR DATA SEQUENCE FPNVYGIDMP SATELIAHGR EVDEIRQIIG ADGLIFQDLN DLIDAVRAEN DATA SEQUENCE PDIQQFECSV FNGVYVTKDV DQGYLDFLDT L 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 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.910 174.990 -0.133 0.000 1.270 1 C CA 0.000 58.974 59.018 -0.074 0.000 1.963 1 C CB 0.000 27.731 27.740 -0.015 0.000 2.134 2 G N 0.346 108.999 108.800 -0.245 0.000 2.696 2 G HA2 0.868 4.828 3.960 0.000 0.000 0.295 2 G HA3 0.868 4.828 3.960 0.000 0.000 0.295 2 G C -1.430 173.399 174.900 -0.118 0.000 1.398 2 G CA -0.450 44.557 45.100 -0.155 0.000 0.920 2 G HN 1.307 nan 8.290 nan 0.000 0.492 3 I N -1.524 119.023 120.570 -0.038 0.000 2.969 3 I HA 0.914 5.084 4.170 0.000 0.000 0.307 3 I C -1.464 174.651 176.117 -0.004 0.000 1.149 3 I CA -1.420 59.894 61.300 0.023 0.000 1.008 3 I CB 2.191 40.232 38.000 0.068 0.000 1.232 3 I HN 0.651 nan 8.210 nan 0.000 0.435 4 V N 1.885 121.802 119.914 0.005 0.000 3.120 4 V HA 0.981 5.101 4.120 0.000 0.000 0.303 4 V C -0.865 175.227 176.094 -0.003 0.000 1.238 4 V CA 0.221 62.509 62.300 -0.019 0.000 1.008 4 V CB 2.185 33.981 31.823 -0.045 0.000 1.064 4 V HN 1.282 nan 8.190 nan 0.000 0.434 5 G N 4.512 113.305 108.800 -0.012 0.000 2.759 5 G HA2 0.718 4.678 3.960 0.000 0.000 0.297 5 G HA3 0.718 4.678 3.960 0.000 0.000 0.297 5 G C -1.907 172.997 174.900 0.007 0.000 1.434 5 G CA -0.465 44.647 45.100 0.021 0.000 0.980 5 G HN 0.853 nan 8.290 nan 0.000 0.531 6 I N 1.109 121.699 120.570 0.033 0.000 2.548 6 I HA 0.526 4.696 4.170 0.000 0.000 0.287 6 I C 0.057 176.239 176.117 0.109 0.000 1.103 6 I CA -1.024 60.304 61.300 0.048 0.000 1.049 6 I CB 2.472 40.473 38.000 0.001 0.000 1.232 6 I HN 0.633 nan 8.210 nan 0.000 0.429 7 A N 5.133 128.049 122.820 0.160 0.000 2.540 7 A HA 0.775 5.096 4.320 0.000 0.000 0.340 7 A C 0.240 177.918 177.584 0.157 0.000 1.424 7 A CA -0.324 51.806 52.037 0.156 0.000 0.940 7 A CB 0.159 19.266 19.000 0.178 0.000 1.149 7 A HN 0.835 nan 8.150 nan 0.000 0.505 8 G N -0.406 108.469 108.800 0.125 0.000 2.613 8 G HA2 0.501 4.461 3.960 0.000 0.000 0.303 8 G HA3 0.501 4.461 3.960 0.000 0.000 0.303 8 G C 0.450 175.387 174.900 0.062 0.000 1.312 8 G CA 0.196 45.358 45.100 0.104 0.000 1.036 8 G HN 1.306 nan 8.290 nan 0.000 0.513 9 V N -3.120 116.816 119.914 0.036 0.000 3.276 9 V HA 0.546 4.666 4.120 0.000 0.000 0.319 9 V C 0.213 176.318 176.094 0.019 0.000 1.427 9 V CA -0.080 62.231 62.300 0.019 0.000 1.102 9 V CB -1.404 30.416 31.823 -0.004 0.000 1.020 9 V HN 0.679 nan 8.190 nan 0.000 0.456 10 M N -2.538 117.081 119.600 0.031 0.000 2.643 10 M HA 0.671 5.151 4.480 0.000 0.000 0.276 10 M C -3.233 173.092 176.300 0.040 0.000 1.200 10 M CA -1.667 53.650 55.300 0.029 0.000 0.863 10 M CB 1.185 33.798 32.600 0.022 0.000 1.711 10 M HN -0.280 nan 8.290 nan 0.000 0.492 11 P HA -0.102 nan 4.420 nan 0.000 0.262 11 P C 0.662 177.987 177.300 0.041 0.000 1.151 11 P CA 0.206 63.326 63.100 0.033 0.000 0.757 11 P CB 0.340 32.054 31.700 0.023 0.000 0.754 12 V N 0.531 120.468 119.914 0.039 0.000 3.605 12 V HA 0.033 4.153 4.120 0.000 0.000 0.284 12 V C 1.671 177.773 176.094 0.014 0.000 1.386 12 V CA 0.705 63.028 62.300 0.039 0.000 1.053 12 V CB -0.610 31.241 31.823 0.046 0.000 0.857 12 V HN 0.422 nan 8.190 nan 0.000 0.436 13 N N 2.155 120.855 118.700 0.001 0.000 2.061 13 N HA -0.327 4.414 4.740 0.000 0.000 0.193 13 N C 1.728 177.217 175.510 -0.035 0.000 1.030 13 N CA 2.545 55.575 53.050 -0.033 0.000 0.856 13 N CB -0.645 37.822 38.487 -0.033 0.000 1.023 13 N HN 0.618 nan 8.380 nan 0.000 0.424 14 Q N 0.422 120.216 119.800 -0.009 0.000 2.049 14 Q HA 0.120 4.460 4.340 0.000 0.000 0.198 14 Q C 1.988 178.030 176.000 0.069 0.000 0.971 14 Q CA 1.711 57.525 55.803 0.019 0.000 0.833 14 Q CB -0.403 28.347 28.738 0.021 0.000 0.896 14 Q HN 0.430 nan 8.270 nan 0.000 0.434 15 S N 0.049 115.779 115.700 0.049 0.000 2.399 15 S HA -0.095 4.375 4.470 0.000 0.000 0.231 15 S C 1.774 176.379 174.600 0.009 0.000 1.022 15 S CA 1.215 59.441 58.200 0.043 0.000 0.983 15 S CB -0.289 62.942 63.200 0.051 0.000 0.803 15 S HN 0.396 nan 8.310 nan 0.000 0.480 16 I N -0.105 120.462 120.570 -0.005 0.000 2.233 16 I HA -0.170 4.000 4.170 0.000 0.000 0.243 16 I C 2.259 178.360 176.117 -0.027 0.000 1.093 16 I CA 1.342 62.618 61.300 -0.039 0.000 1.380 16 I CB -0.479 37.481 38.000 -0.066 0.000 1.067 16 I HN 0.285 nan 8.210 nan 0.000 0.413 17 Y N 2.301 122.504 120.300 -0.162 0.000 2.151 17 Y HA -0.331 4.220 4.550 0.000 0.000 0.284 17 Y C 2.159 178.029 175.900 -0.050 0.000 1.166 17 Y CA 1.923 59.935 58.100 -0.147 0.000 1.163 17 Y CB -0.282 38.096 38.460 -0.137 0.000 0.974 17 Y HN 0.213 nan 8.280 nan 0.000 0.511 18 D N 0.023 120.474 120.400 0.086 0.000 2.144 18 D HA -0.127 4.513 4.640 0.000 0.000 0.200 18 D C 2.283 178.556 176.300 -0.044 0.000 0.978 18 D CA 1.390 55.399 54.000 0.015 0.000 0.833 18 D CB -0.557 40.293 40.800 0.083 0.000 0.961 18 D HN 0.495 nan 8.370 nan 0.000 0.470 19 A N 0.725 123.519 122.820 -0.043 0.000 1.930 19 A HA -0.076 4.244 4.320 0.000 0.000 0.217 19 A C 2.365 179.907 177.584 -0.070 0.000 1.175 19 A CA 0.732 52.735 52.037 -0.056 0.000 0.627 19 A CB -0.679 18.276 19.000 -0.076 0.000 0.815 19 A HN 0.185 nan 8.150 nan 0.000 0.443 20 L N 0.116 121.282 121.223 -0.094 0.000 2.141 20 L HA -0.154 4.186 4.340 0.000 0.000 0.209 20 L C 2.954 179.749 176.870 -0.127 0.000 1.094 20 L CA 1.731 56.509 54.840 -0.102 0.000 0.763 20 L CB -1.019 40.989 42.059 -0.085 0.000 0.908 20 L HN 0.643 nan 8.230 nan 0.000 0.437 21 T N -2.117 112.323 114.554 -0.191 0.000 2.788 21 T HA -0.138 4.212 4.350 0.000 0.000 0.268 21 T C 1.671 176.330 174.700 -0.069 0.000 1.044 21 T CA 1.297 63.291 62.100 -0.177 0.000 1.139 21 T CB -0.883 67.832 68.868 -0.256 0.000 0.867 21 T HN 0.305 nan 8.240 nan 0.000 0.454 22 V N -1.149 118.743 119.914 -0.038 0.000 3.380 22 V HA 0.374 4.494 4.120 0.000 0.000 0.268 22 V C 1.853 178.011 176.094 0.107 0.000 1.168 22 V CA 0.709 63.029 62.300 0.033 0.000 1.156 22 V CB -1.003 30.838 31.823 0.030 0.000 0.785 22 V HN 0.475 nan 8.190 nan 0.000 0.487 23 L N -0.391 120.826 121.223 -0.010 0.000 2.693 23 L HA 0.266 4.607 4.340 0.000 0.000 0.235 23 L C 2.220 178.927 176.870 -0.272 0.000 1.127 23 L CA 0.231 54.973 54.840 -0.163 0.000 0.914 23 L CB 0.080 42.056 42.059 -0.138 0.000 1.193 23 L HN 0.326 nan 8.230 nan 0.000 0.502 24 Q N 0.677 120.416 119.800 -0.101 0.000 2.248 24 Q HA -0.247 4.093 4.340 0.000 0.000 0.208 24 Q C 2.166 178.124 176.000 -0.071 0.000 0.984 24 Q CA 1.823 57.579 55.803 -0.079 0.000 0.875 24 Q CB -0.069 28.647 28.738 -0.038 0.000 0.910 24 Q HN 0.645 nan 8.270 nan 0.000 0.433 25 H N -1.377 117.664 119.070 -0.048 0.000 2.545 25 H HA 0.011 4.567 4.556 0.000 0.000 0.282 25 H C 0.983 176.290 175.328 -0.035 0.000 1.020 25 H CA 1.073 57.076 56.048 -0.075 0.000 1.243 25 H CB -0.068 29.616 29.762 -0.130 0.000 1.377 25 H HN 0.316 nan 8.280 nan 0.000 0.581 26 R N 0.708 121.035 120.500 -0.289 0.000 2.297 26 R HA 0.239 4.579 4.340 0.000 0.000 0.197 26 R C 0.254 176.706 176.300 0.253 0.000 0.943 26 R CA 0.567 56.706 56.100 0.065 0.000 1.038 26 R CB 0.835 31.112 30.300 -0.039 0.000 0.957 26 R HN 0.392 nan 8.270 nan 0.000 0.484 27 G N 0.483 109.346 108.800 0.104 0.000 2.299 27 G HA2 0.123 4.083 3.960 0.000 0.000 0.312 27 G HA3 0.123 4.083 3.960 0.000 0.000 0.312 27 G C -0.815 174.063 174.900 -0.037 0.000 1.654 27 G CA -0.652 44.498 45.100 0.084 0.000 0.912 27 G HN 0.019 nan 8.290 nan 0.000 0.667 28 Q N 0.804 120.549 119.800 -0.090 0.000 2.118 28 Q HA 0.199 4.539 4.340 0.000 0.000 0.219 28 Q C 1.159 177.106 176.000 -0.088 0.000 0.794 28 Q CA -0.132 55.622 55.803 -0.081 0.000 1.035 28 Q CB 1.323 30.013 28.738 -0.080 0.000 1.177 28 Q HN 0.599 nan 8.270 nan 0.000 0.478 29 D N 0.729 121.069 120.400 -0.100 0.000 2.149 29 D HA 0.080 4.720 4.640 0.000 0.000 0.201 29 D C 0.110 176.382 176.300 -0.047 0.000 0.972 29 D CA 1.008 54.960 54.000 -0.081 0.000 0.835 29 D CB 0.443 41.196 40.800 -0.079 0.000 0.966 29 D HN 0.278 nan 8.370 nan 0.000 0.476 30 A N -1.364 121.439 122.820 -0.029 0.000 2.566 30 A HA 0.774 5.094 4.320 0.000 0.000 0.290 30 A C -1.636 175.951 177.584 0.004 0.000 1.071 30 A CA -0.222 51.803 52.037 -0.021 0.000 0.658 30 A CB 0.971 19.970 19.000 -0.002 0.000 1.285 30 A HN 0.280 nan 8.150 nan 0.000 0.427 31 A N -0.933 121.892 122.820 0.009 0.000 2.594 31 A HA 1.001 5.321 4.320 0.000 0.000 0.291 31 A C -0.238 177.444 177.584 0.163 0.000 1.105 31 A CA -0.157 51.946 52.037 0.110 0.000 0.694 31 A CB 1.534 20.641 19.000 0.179 0.000 1.291 31 A HN 2.591 nan 8.150 nan 0.000 0.410 32 G N -0.366 108.634 108.800 0.333 0.000 2.732 32 G HA2 0.594 4.554 3.960 0.000 0.000 0.296 32 G HA3 0.594 4.554 3.960 0.000 0.000 0.296 32 G C -1.618 173.453 174.900 0.285 0.000 1.448 32 G CA -0.368 44.930 45.100 0.329 0.000 0.911 32 G HN 0.732 nan 8.290 nan 0.000 0.528 33 I N 1.084 121.784 120.570 0.217 0.000 2.730 33 I HA 0.656 4.826 4.170 0.000 0.000 0.298 33 I C -0.994 175.138 176.117 0.025 0.000 1.089 33 I CA -1.062 60.233 61.300 -0.008 0.000 1.041 33 I CB 2.689 40.510 38.000 -0.300 0.000 1.235 33 I HN 0.488 nan 8.210 nan 0.000 0.423 34 I N 4.205 124.779 120.570 0.007 0.000 2.627 34 I HA 0.400 4.570 4.170 0.000 0.000 0.288 34 I C -0.621 175.541 176.117 0.076 0.000 1.202 34 I CA 0.159 61.469 61.300 0.017 0.000 1.050 34 I CB 1.915 39.872 38.000 -0.071 0.000 1.264 34 I HN 0.763 nan 8.210 nan 0.000 0.429 35 T N 4.662 119.293 114.554 0.128 0.000 2.883 35 T HA 0.694 5.044 4.350 0.000 0.000 0.284 35 T C -0.465 174.388 174.700 0.255 0.000 1.041 35 T CA -0.794 61.403 62.100 0.162 0.000 1.007 35 T CB 1.868 70.792 68.868 0.093 0.000 1.220 35 T HN 0.387 nan 8.240 nan 0.000 0.552 36 I N 2.361 123.040 120.570 0.181 0.000 2.410 36 I HA 0.316 4.486 4.170 0.000 0.000 0.286 36 I C -0.388 175.759 176.117 0.050 0.000 1.009 36 I CA -0.970 60.391 61.300 0.101 0.000 1.111 36 I CB 1.665 39.694 38.000 0.049 0.000 1.262 36 I HN 0.832 nan 8.210 nan 0.000 0.443 37 D N 5.379 125.795 120.400 0.026 0.000 2.414 37 D HA 0.181 4.821 4.640 0.000 0.000 0.251 37 D C 1.219 177.523 176.300 0.006 0.000 1.252 37 D CA -0.438 53.574 54.000 0.019 0.000 0.999 37 D CB 0.806 41.617 40.800 0.018 0.000 1.093 37 D HN 0.497 nan 8.370 nan 0.000 0.515 38 A N -0.108 122.717 122.820 0.008 0.000 2.019 38 A HA -0.191 4.129 4.320 0.000 0.000 0.219 38 A C 1.485 179.067 177.584 -0.002 0.000 1.164 38 A CA 1.017 53.057 52.037 0.005 0.000 0.644 38 A CB -0.716 18.289 19.000 0.007 0.000 0.805 38 A HN 0.554 nan 8.150 nan 0.000 0.449 39 N N 0.900 119.596 118.700 -0.007 0.000 2.362 39 N HA -0.018 4.722 4.740 0.000 0.000 0.204 39 N C -0.418 175.075 175.510 -0.028 0.000 1.166 39 N CA 0.114 53.157 53.050 -0.012 0.000 0.831 39 N CB -0.282 38.200 38.487 -0.009 0.000 1.008 39 N HN 0.371 nan 8.380 nan 0.000 0.472 40 N N 0.281 118.958 118.700 -0.039 0.000 2.714 40 N HA -0.175 4.565 4.740 0.000 0.000 0.253 40 N C -1.159 174.266 175.510 -0.142 0.000 1.024 40 N CA 0.634 53.637 53.050 -0.078 0.000 0.726 40 N CB -1.523 36.937 38.487 -0.044 0.000 0.908 40 N HN 0.257 nan 8.380 nan 0.000 0.542 41 C N 0.606 119.819 119.300 -0.145 0.000 2.698 41 C HA 0.532 4.992 4.460 0.000 0.000 0.309 41 C C 0.328 175.244 174.990 -0.123 0.000 1.186 41 C CA -0.955 57.967 59.018 -0.159 0.000 1.474 41 C CB 1.048 28.757 27.740 -0.052 0.000 2.020 41 C HN 0.266 nan 8.230 nan 0.000 0.474 42 F N 2.905 122.835 119.950 -0.032 0.000 2.429 42 F HA 0.473 5.000 4.527 0.000 0.000 0.348 42 F C 1.033 176.792 175.800 -0.069 0.000 1.109 42 F CA 0.164 58.128 58.000 -0.060 0.000 1.232 42 F CB 0.567 39.465 39.000 -0.171 0.000 1.157 42 F HN 0.259 nan 8.300 nan 0.000 0.564 43 R N 3.803 124.419 120.500 0.193 0.000 2.439 43 R HA 0.604 4.944 4.340 0.000 0.000 0.310 43 R C -1.315 175.031 176.300 0.077 0.000 0.955 43 R CA -0.919 55.240 56.100 0.099 0.000 0.853 43 R CB 1.843 32.194 30.300 0.085 0.000 1.171 43 R HN 0.665 nan 8.270 nan 0.000 0.449 44 L N 1.174 122.421 121.223 0.041 0.000 2.333 44 L HA 0.685 5.025 4.340 0.000 0.000 0.263 44 L C -0.985 175.919 176.870 0.056 0.000 1.014 44 L CA -0.519 54.336 54.840 0.025 0.000 0.820 44 L CB 2.012 44.044 42.059 -0.046 0.000 1.352 44 L HN 0.433 nan 8.230 nan 0.000 0.421 45 R N 3.210 123.768 120.500 0.097 0.000 2.585 45 R HA 0.421 4.761 4.340 0.000 0.000 0.288 45 R C -2.008 174.344 176.300 0.088 0.000 1.194 45 R CA -0.470 55.681 56.100 0.084 0.000 1.006 45 R CB 1.449 31.867 30.300 0.196 0.000 1.229 45 R HN 0.922 nan 8.270 nan 0.000 0.412 46 K N 2.202 122.568 120.400 -0.057 0.000 2.498 46 K HA 0.901 5.221 4.320 0.000 0.000 0.254 46 K C -1.484 175.026 176.600 -0.151 0.000 0.933 46 K CA -0.947 55.291 56.287 -0.083 0.000 0.806 46 K CB 2.517 34.981 32.500 -0.061 0.000 1.301 46 K HN 0.433 nan 8.250 nan 0.000 0.432 47 A N 2.152 124.865 122.820 -0.180 0.000 2.581 47 A HA 0.497 4.817 4.320 0.000 0.000 0.290 47 A C -1.640 175.869 177.584 -0.124 0.000 1.119 47 A CA -1.090 50.852 52.037 -0.158 0.000 0.670 47 A CB 1.187 20.056 19.000 -0.217 0.000 1.280 47 A HN 0.798 nan 8.150 nan 0.000 0.425 48 N N -0.631 118.014 118.700 -0.091 0.000 2.530 48 N HA 0.605 5.345 4.740 0.000 0.000 0.277 48 N C 0.245 175.706 175.510 -0.082 0.000 1.168 48 N CA 1.463 54.472 53.050 -0.068 0.000 0.979 48 N CB 1.266 39.725 38.487 -0.047 0.000 1.141 48 N HN 1.565 nan 8.380 nan 0.000 0.459 49 G N -0.293 108.465 108.800 -0.070 0.000 2.343 49 G HA2 -0.058 3.902 3.960 0.000 0.000 0.465 49 G HA3 -0.058 3.902 3.960 0.000 0.000 0.465 49 G C -1.290 173.574 174.900 -0.060 0.000 1.282 49 G CA -1.018 44.043 45.100 -0.066 0.000 0.996 49 G HN 0.421 nan 8.290 nan 0.000 0.521 50 L N 0.374 121.572 121.223 -0.042 0.000 2.453 50 L HA 0.291 4.631 4.340 0.000 0.000 0.261 50 L C 2.266 179.132 176.870 -0.006 0.000 1.179 50 L CA -0.765 54.060 54.840 -0.024 0.000 0.813 50 L CB 1.077 43.130 42.059 -0.010 0.000 1.110 50 L HN 0.484 nan 8.230 nan 0.000 0.466 51 V N 0.823 120.752 119.914 0.025 0.000 2.252 51 V HA -0.328 3.793 4.120 0.000 0.000 0.249 51 V C 2.375 178.602 176.094 0.222 0.000 1.056 51 V CA 2.441 64.822 62.300 0.135 0.000 1.022 51 V CB -0.728 31.074 31.823 -0.035 0.000 0.641 51 V HN 1.063 nan 8.190 nan 0.000 0.445 52 S N 0.017 115.791 115.700 0.123 0.000 2.402 52 S HA -0.257 4.214 4.470 0.000 0.000 0.233 52 S C 1.529 176.240 174.600 0.185 0.000 1.030 52 S CA 1.781 60.115 58.200 0.224 0.000 1.003 52 S CB -0.498 62.781 63.200 0.131 0.000 0.813 52 S HN 0.674 nan 8.310 nan 0.000 0.477 53 D N 0.908 121.357 120.400 0.082 0.000 2.271 53 D HA 0.131 4.771 4.640 0.000 0.000 0.206 53 D C 2.075 178.352 176.300 -0.038 0.000 0.967 53 D CA 0.507 54.527 54.000 0.032 0.000 0.867 53 D CB -0.179 40.622 40.800 0.002 0.000 0.960 53 D HN 0.356 nan 8.370 nan 0.000 0.509 54 V N 0.568 120.380 119.914 -0.169 0.000 2.346 54 V HA -0.107 4.014 4.120 0.000 0.000 0.244 54 V C 0.620 176.330 176.094 -0.640 0.000 1.037 54 V CA 0.958 62.950 62.300 -0.513 0.000 1.029 54 V CB -0.366 30.959 31.823 -0.829 0.000 0.663 54 V HN 0.007 nan 8.190 nan 0.000 0.454 55 F N 1.159 121.198 119.950 0.149 0.000 2.334 55 F HA 0.426 4.953 4.527 0.000 0.000 0.365 55 F C 0.612 176.535 175.800 0.205 0.000 1.124 55 F CA -0.725 57.385 58.000 0.182 0.000 1.166 55 F CB -0.282 38.816 39.000 0.164 0.000 1.355 55 F HN 0.122 nan 8.300 nan 0.000 0.532 56 E N 0.866 121.388 120.200 0.537 0.000 2.312 56 E HA 0.469 4.819 4.350 0.000 0.000 0.259 56 E C 0.954 177.585 176.600 0.051 0.000 1.122 56 E CA -0.330 56.183 56.400 0.189 0.000 0.922 56 E CB 1.216 30.924 29.700 0.013 0.000 1.109 56 E HN 0.606 nan 8.360 nan 0.000 0.442 57 A N 1.856 124.653 122.820 -0.038 0.000 1.978 57 A HA -0.249 4.071 4.320 0.000 0.000 0.220 57 A C 1.984 179.521 177.584 -0.079 0.000 1.170 57 A CA 1.909 53.915 52.037 -0.053 0.000 0.636 57 A CB -0.625 18.345 19.000 -0.049 0.000 0.810 57 A HN 0.707 nan 8.150 nan 0.000 0.448 58 R N -0.935 119.454 120.500 -0.186 0.000 2.115 58 R HA -0.142 4.198 4.340 0.000 0.000 0.230 58 R C 1.807 178.044 176.300 -0.105 0.000 1.111 58 R CA 1.769 57.759 56.100 -0.183 0.000 0.976 58 R CB -0.874 29.273 30.300 -0.255 0.000 0.870 58 R HN 0.683 nan 8.270 nan 0.000 0.445 59 H N 0.424 119.523 119.070 0.048 0.000 2.307 59 H HA 0.049 4.605 4.556 0.000 0.000 0.303 59 H C 2.260 177.635 175.328 0.079 0.000 1.073 59 H CA 1.460 57.560 56.048 0.087 0.000 1.338 59 H CB -0.027 29.829 29.762 0.156 0.000 1.389 59 H HN 0.001 nan 8.280 nan 0.000 0.503 60 M N 0.848 120.558 119.600 0.183 0.000 2.082 60 M HA -0.229 4.251 4.480 0.000 0.000 0.258 60 M C 2.273 178.594 176.300 0.035 0.000 1.069 60 M CA 1.348 56.684 55.300 0.059 0.000 1.102 60 M CB -0.855 31.726 32.600 -0.031 0.000 1.336 60 M HN 0.374 nan 8.290 nan 0.000 0.404 61 Q N 0.372 120.186 119.800 0.025 0.000 2.152 61 Q HA -0.204 4.136 4.340 0.000 0.000 0.206 61 Q C 2.086 178.102 176.000 0.027 0.000 0.985 61 Q CA 1.629 57.439 55.803 0.013 0.000 0.863 61 Q CB -0.341 28.395 28.738 -0.003 0.000 0.904 61 Q HN 0.500 nan 8.270 nan 0.000 0.422 62 R N -0.145 120.386 120.500 0.051 0.000 2.161 62 R HA 0.075 4.415 4.340 0.000 0.000 0.213 62 R C 0.670 177.007 176.300 0.061 0.000 1.055 62 R CA 0.016 56.151 56.100 0.059 0.000 0.996 62 R CB 0.038 30.388 30.300 0.084 0.000 0.901 62 R HN 0.200 nan 8.270 nan 0.000 0.456 63 L N 3.256 124.517 121.223 0.063 0.000 2.382 63 L HA 0.105 4.445 4.340 0.000 0.000 0.259 63 L C -0.260 176.632 176.870 0.037 0.000 1.291 63 L CA 0.149 55.020 54.840 0.051 0.000 1.176 63 L CB 0.196 42.275 42.059 0.034 0.000 1.373 63 L HN 0.100 nan 8.230 nan 0.000 0.426 64 Q N 1.259 121.084 119.800 0.041 0.000 2.230 64 Q HA 0.751 5.092 4.340 0.000 0.000 0.248 64 Q C 0.376 176.401 176.000 0.042 0.000 0.915 64 Q CA 0.061 55.885 55.803 0.034 0.000 0.900 64 Q CB 2.044 30.799 28.738 0.029 0.000 1.229 64 Q HN 0.594 nan 8.270 nan 0.000 0.439 65 G N 1.263 110.086 108.800 0.038 0.000 2.339 65 G HA2 -0.082 3.878 3.960 0.000 0.000 0.381 65 G HA3 -0.082 3.878 3.960 0.000 0.000 0.381 65 G C -0.837 174.090 174.900 0.046 0.000 1.400 65 G CA -0.893 44.234 45.100 0.045 0.000 1.002 65 G HN 0.545 nan 8.290 nan 0.000 0.633 66 N N -0.465 118.266 118.700 0.051 0.000 2.187 66 N HA 0.283 5.024 4.740 0.000 0.000 0.212 66 N C 0.318 175.872 175.510 0.072 0.000 1.152 66 N CA 0.309 53.393 53.050 0.055 0.000 0.872 66 N CB 0.723 39.238 38.487 0.046 0.000 1.025 66 N HN 0.623 nan 8.380 nan 0.000 0.514 67 M N -0.192 119.457 119.600 0.082 0.000 2.433 67 M HA 0.615 5.095 4.480 0.000 0.000 0.290 67 M C -1.382 174.983 176.300 0.109 0.000 1.173 67 M CA -0.560 54.800 55.300 0.101 0.000 0.905 67 M CB 2.261 34.929 32.600 0.114 0.000 1.692 67 M HN 0.099 nan 8.290 nan 0.000 0.462 68 G N 3.476 112.337 108.800 0.101 0.000 2.523 68 G HA2 0.631 4.592 3.960 0.000 0.000 0.291 68 G HA3 0.631 4.592 3.960 0.000 0.000 0.291 68 G C -2.089 172.853 174.900 0.069 0.000 1.450 68 G CA -0.797 44.358 45.100 0.092 0.000 0.790 68 G HN 1.046 nan 8.290 nan 0.000 0.496 69 I N -1.992 118.612 120.570 0.056 0.000 2.934 69 I HA 1.009 5.179 4.170 0.000 0.000 0.306 69 I C 0.079 176.210 176.117 0.023 0.000 1.110 69 I CA -1.258 60.067 61.300 0.042 0.000 1.019 69 I CB 2.513 40.549 38.000 0.059 0.000 1.227 69 I HN 0.975 nan 8.210 nan 0.000 0.434 70 G N 1.465 110.284 108.800 0.031 0.000 2.660 70 G HA2 0.558 4.518 3.960 0.000 0.000 0.294 70 G HA3 0.558 4.518 3.960 0.000 0.000 0.294 70 G C -2.218 172.756 174.900 0.124 0.000 1.369 70 G CA -0.469 44.658 45.100 0.045 0.000 0.912 70 G HN 0.932 nan 8.290 nan 0.000 0.479 71 H N -0.492 118.588 119.070 0.017 0.000 2.974 71 H HA 0.537 5.093 4.556 0.000 0.000 0.366 71 H C -1.401 173.948 175.328 0.035 0.000 1.155 71 H CA -0.560 55.499 56.048 0.017 0.000 1.186 71 H CB 2.425 32.195 29.762 0.013 0.000 1.799 71 H HN 0.616 nan 8.280 nan 0.000 0.541 72 V N 3.052 122.699 119.914 -0.444 0.000 2.407 72 V HA 0.509 4.629 4.120 0.000 0.000 0.291 72 V C 0.059 175.883 176.094 -0.450 0.000 1.018 72 V CA -1.065 61.070 62.300 -0.276 0.000 0.842 72 V CB 1.368 33.097 31.823 -0.157 0.000 0.996 72 V HN 0.684 nan 8.190 nan 0.000 0.426 73 R N 3.784 124.169 120.500 -0.192 0.000 2.221 73 R HA 0.387 4.727 4.340 0.000 0.000 0.327 73 R C -1.067 175.266 176.300 0.054 0.000 1.033 73 R CA -0.583 55.507 56.100 -0.016 0.000 0.887 73 R CB 0.780 31.180 30.300 0.167 0.000 1.057 73 R HN 0.884 nan 8.270 nan 0.000 0.455 74 Y N 6.911 127.223 120.300 0.020 0.000 2.359 74 Y HA 0.209 4.759 4.550 0.000 0.000 0.330 74 Y C -1.734 174.207 175.900 0.068 0.000 1.143 74 Y CA -2.109 56.033 58.100 0.069 0.000 1.318 74 Y CB 0.937 39.494 38.460 0.162 0.000 1.234 74 Y HN 0.553 nan 8.280 nan 0.000 0.522 75 P HA -0.100 nan 4.420 nan 0.000 0.254 75 P C -0.308 177.029 177.300 0.061 0.000 1.467 75 P CA 0.281 63.307 63.100 -0.123 0.000 1.281 75 P CB -0.405 31.154 31.700 -0.234 0.000 1.754 76 T N 2.705 117.356 114.554 0.161 0.000 2.751 76 T HA 0.343 4.694 4.350 0.000 0.000 0.290 76 T C 0.520 175.281 174.700 0.101 0.000 0.919 76 T CA -0.430 61.778 62.100 0.180 0.000 1.136 76 T CB -0.326 68.644 68.868 0.170 0.000 0.875 76 T HN 0.356 nan 8.240 nan 0.000 0.532 77 A N 3.958 126.830 122.820 0.088 0.000 2.477 77 A HA 0.593 4.914 4.320 0.000 0.000 0.246 77 A C 1.605 179.211 177.584 0.038 0.000 1.078 77 A CA 0.271 52.336 52.037 0.047 0.000 0.770 77 A CB -0.467 18.555 19.000 0.037 0.000 1.011 77 A HN 1.807 nan 8.150 nan 0.000 0.494 78 G N 0.939 109.754 108.800 0.025 0.000 2.475 78 G HA2 -0.230 3.730 3.960 0.000 0.000 0.209 78 G HA3 -0.230 3.730 3.960 0.000 0.000 0.209 78 G C 0.875 175.791 174.900 0.026 0.000 1.127 78 G CA 0.397 45.508 45.100 0.017 0.000 0.681 78 G HN 1.299 nan 8.290 nan 0.000 0.517 79 S N 1.873 117.600 115.700 0.045 0.000 2.815 79 S HA 0.488 4.958 4.470 0.000 0.000 0.254 79 S C 1.550 176.184 174.600 0.057 0.000 1.197 79 S CA 1.142 59.377 58.200 0.058 0.000 1.216 79 S CB -0.186 63.066 63.200 0.087 0.000 0.871 79 S HN 1.436 nan 8.310 nan 0.000 0.473 80 S N 0.605 116.328 115.700 0.038 0.000 2.083 80 S HA -0.329 4.142 4.470 0.000 0.000 0.220 80 S C 1.142 175.755 174.600 0.023 0.000 1.119 80 S CA 1.450 59.668 58.200 0.029 0.000 1.692 80 S CB -1.577 61.643 63.200 0.033 0.000 2.260 80 S HN 0.781 nan 8.310 nan 0.000 0.584 81 S N -0.654 115.064 115.700 0.030 0.000 3.146 81 S HA -0.258 4.212 4.470 0.000 0.000 0.285 81 S C 0.603 175.205 174.600 0.004 0.000 1.293 81 S CA 1.466 59.674 58.200 0.013 0.000 1.137 81 S CB -1.669 61.529 63.200 -0.004 0.000 1.357 81 S HN 2.126 nan 8.310 nan 0.000 0.678 82 A N -0.579 122.249 122.820 0.013 0.000 2.665 82 A HA 0.653 4.973 4.320 0.000 0.000 0.268 82 A C 0.312 177.908 177.584 0.020 0.000 1.044 82 A CA 0.746 52.788 52.037 0.008 0.000 0.993 82 A CB 0.609 19.612 19.000 0.005 0.000 1.229 82 A HN 0.427 nan 8.150 nan 0.000 0.576 83 S N -0.078 115.644 115.700 0.035 0.000 2.671 83 S HA 0.370 4.840 4.470 0.000 0.000 0.272 83 S C 0.261 174.894 174.600 0.054 0.000 1.174 83 S CA -0.365 57.868 58.200 0.054 0.000 1.004 83 S CB 0.704 63.950 63.200 0.078 0.000 1.077 83 S HN 0.516 nan 8.310 nan 0.000 0.553 84 E N 0.366 120.617 120.200 0.085 0.000 2.415 84 E HA 0.366 4.716 4.350 0.000 0.000 0.263 84 E C -0.219 176.373 176.600 -0.014 0.000 0.995 84 E CA -0.321 56.112 56.400 0.056 0.000 0.915 84 E CB 0.519 30.313 29.700 0.157 0.000 0.951 84 E HN 0.598 nan 8.360 nan 0.000 0.449 85 A N 4.232 126.975 122.820 -0.128 0.000 2.252 85 A HA 0.289 4.609 4.320 0.000 0.000 0.305 85 A C -0.214 177.066 177.584 -0.507 0.000 1.097 85 A CA -0.435 51.500 52.037 -0.171 0.000 0.849 85 A CB 0.829 19.781 19.000 -0.080 0.000 1.142 85 A HN 0.772 nan 8.150 nan 0.000 0.499 86 Q N 0.238 119.778 119.800 -0.432 0.000 2.169 86 Q HA 0.414 4.754 4.340 0.000 0.000 0.234 86 Q C -2.314 173.503 176.000 -0.306 0.000 0.980 86 Q CA -1.890 53.516 55.803 -0.662 0.000 0.941 86 Q CB 0.827 29.128 28.738 -0.729 0.000 1.199 86 Q HN 0.561 nan 8.270 nan 0.000 0.496 87 P HA 0.073 nan 4.420 nan 0.000 0.274 87 P C -1.108 176.006 177.300 -0.310 0.000 1.237 87 P CA 0.159 63.119 63.100 -0.234 0.000 0.793 87 P CB 0.510 32.155 31.700 -0.091 0.000 0.977 88 F N 0.648 120.573 119.950 -0.042 0.000 2.450 88 F HA 0.519 5.046 4.527 0.000 0.000 0.328 88 F C 0.475 176.295 175.800 0.034 0.000 1.068 88 F CA 0.055 58.054 58.000 -0.002 0.000 1.007 88 F CB 0.875 39.861 39.000 -0.023 0.000 1.251 88 F HN 0.303 nan 8.300 nan 0.000 0.492 89 Y N 0.786 121.176 120.300 0.149 0.000 2.571 89 Y HA 0.663 5.213 4.550 0.000 0.000 0.341 89 Y C -1.895 174.060 175.900 0.092 0.000 1.076 89 Y CA -1.496 56.617 58.100 0.021 0.000 1.029 89 Y CB 1.536 39.931 38.460 -0.107 0.000 1.308 89 Y HN 0.489 nan 8.280 nan 0.000 0.461 90 V N 2.173 121.445 119.914 -1.070 0.000 2.932 90 V HA 0.398 4.519 4.120 0.000 0.000 0.307 90 V C -0.339 175.208 176.094 -0.911 0.000 1.147 90 V CA -0.447 61.364 62.300 -0.816 0.000 0.951 90 V CB 1.780 33.421 31.823 -0.303 0.000 1.031 90 V HN 0.986 nan 8.190 nan 0.000 0.426 91 N N 1.599 119.983 118.700 -0.526 0.000 2.463 91 N HA 0.013 4.753 4.740 0.000 0.000 0.181 91 N C 0.362 175.861 175.510 -0.019 0.000 1.078 91 N CA 0.851 53.856 53.050 -0.074 0.000 0.902 91 N CB 0.363 38.901 38.487 0.084 0.000 0.970 91 N HN 1.148 nan 8.380 nan 0.000 0.451 92 S N -0.492 115.156 115.700 -0.087 0.000 2.537 92 S HA 0.540 5.010 4.470 0.000 0.000 0.270 92 S C -3.268 171.264 174.600 -0.114 0.000 1.142 92 S CA -1.169 56.972 58.200 -0.099 0.000 0.870 92 S CB 2.608 65.745 63.200 -0.105 0.000 1.112 92 S HN 0.008 nan 8.310 nan 0.000 0.466 93 P HA 0.320 nan 4.420 nan 0.000 0.276 93 P C -0.280 176.922 177.300 -0.164 0.000 1.244 93 P CA 0.135 63.036 63.100 -0.331 0.000 0.801 93 P CB 0.097 31.488 31.700 -0.515 0.000 1.006 94 Y N -0.396 119.919 120.300 0.024 0.000 2.818 94 Y HA -0.279 4.271 4.550 0.000 0.000 0.487 94 Y C 1.165 177.128 175.900 0.105 0.000 1.146 94 Y CA 2.138 60.282 58.100 0.073 0.000 2.839 94 Y CB -2.479 36.020 38.460 0.065 0.000 0.893 94 Y HN 0.950 nan 8.280 nan 0.000 0.545 95 G N 0.119 109.090 108.800 0.285 0.000 3.160 95 G HA2 0.351 4.311 3.960 0.000 0.000 0.573 95 G HA3 0.351 4.311 3.960 0.000 0.000 0.573 95 G C -1.095 174.119 174.900 0.524 0.000 1.286 95 G CA -0.494 44.855 45.100 0.414 0.000 1.151 95 G HN 0.497 nan 8.290 nan 0.000 0.555 96 I N 1.346 122.169 120.570 0.423 0.000 2.582 96 I HA 0.747 4.917 4.170 0.000 0.000 0.292 96 I C 0.141 176.405 176.117 0.244 0.000 1.066 96 I CA -0.939 60.572 61.300 0.353 0.000 1.053 96 I CB 2.733 40.828 38.000 0.159 0.000 1.241 96 I HN 0.487 nan 8.210 nan 0.000 0.421 97 T N 6.375 121.046 114.554 0.195 0.000 2.893 97 T HA 0.790 5.140 4.350 0.000 0.000 0.291 97 T C -1.559 173.215 174.700 0.124 0.000 1.028 97 T CA -0.495 61.625 62.100 0.034 0.000 0.995 97 T CB 1.519 70.207 68.868 -0.300 0.000 1.051 97 T HN 0.540 nan 8.240 nan 0.000 0.470 98 L N 3.639 124.936 121.223 0.122 0.000 2.493 98 L HA 0.875 5.216 4.340 0.000 0.000 0.265 98 L C -1.079 175.846 176.870 0.091 0.000 0.954 98 L CA -0.516 54.399 54.840 0.124 0.000 0.844 98 L CB 1.733 43.888 42.059 0.159 0.000 1.302 98 L HN 0.830 nan 8.230 nan 0.000 0.405 99 A N 3.465 126.316 122.820 0.052 0.000 2.337 99 A HA 0.734 5.054 4.320 0.000 0.000 0.329 99 A C -1.438 176.201 177.584 0.091 0.000 1.146 99 A CA -0.376 51.665 52.037 0.006 0.000 0.800 99 A CB 0.847 19.872 19.000 0.041 0.000 1.220 99 A HN 0.874 nan 8.150 nan 0.000 0.472 100 H N 2.543 121.589 119.070 -0.040 0.000 2.954 100 H HA 0.368 4.925 4.556 0.000 0.000 0.361 100 H C -1.920 173.494 175.328 0.143 0.000 1.122 100 H CA -0.482 55.581 56.048 0.026 0.000 1.217 100 H CB 1.561 31.324 29.762 0.002 0.000 1.776 100 H HN 0.805 nan 8.280 nan 0.000 0.533 101 N N 3.296 121.733 118.700 -0.437 0.000 2.443 101 N HA 0.515 5.256 4.740 0.000 0.000 0.269 101 N C -0.503 174.650 175.510 -0.594 0.000 0.985 101 N CA 0.275 53.083 53.050 -0.405 0.000 0.921 101 N CB 1.550 39.928 38.487 -0.181 0.000 1.195 101 N HN 0.980 nan 8.380 nan 0.000 0.492 102 G N 2.138 110.627 108.800 -0.518 0.000 2.356 102 G HA2 0.042 4.002 3.960 0.000 0.000 0.266 102 G HA3 0.042 4.002 3.960 0.000 0.000 0.266 102 G C -1.964 173.012 174.900 0.126 0.000 1.312 102 G CA -0.882 44.136 45.100 -0.136 0.000 0.922 102 G HN 0.696 nan 8.290 nan 0.000 0.480 103 N N -0.918 117.974 118.700 0.320 0.000 2.521 103 N HA 0.513 5.254 4.740 0.000 0.000 0.269 103 N C -1.014 174.679 175.510 0.305 0.000 1.079 103 N CA -0.639 52.589 53.050 0.296 0.000 0.980 103 N CB 1.494 40.093 38.487 0.187 0.000 1.667 103 N HN 0.583 nan 8.380 nan 0.000 0.498 104 L N 2.532 123.877 121.223 0.204 0.000 2.292 104 L HA 0.373 4.713 4.340 0.000 0.000 0.284 104 L C 1.326 178.266 176.870 0.117 0.000 1.065 104 L CA -0.417 54.510 54.840 0.146 0.000 0.806 104 L CB 1.349 43.431 42.059 0.037 0.000 1.175 104 L HN 0.820 nan 8.230 nan 0.000 0.431 105 T N -2.419 112.216 114.554 0.134 0.000 3.067 105 T HA -0.036 4.314 4.350 0.000 0.000 0.257 105 T C 0.903 175.640 174.700 0.062 0.000 1.105 105 T CA 0.124 62.276 62.100 0.086 0.000 1.104 105 T CB -0.228 68.708 68.868 0.113 0.000 0.925 105 T HN 0.656 nan 8.240 nan 0.000 0.498 106 N N 0.871 119.610 118.700 0.065 0.000 2.610 106 N HA 0.484 5.224 4.740 0.000 0.000 0.309 106 N C 0.972 176.502 175.510 0.033 0.000 1.536 106 N CA -0.048 53.032 53.050 0.050 0.000 0.954 106 N CB 0.423 38.937 38.487 0.044 0.000 1.310 106 N HN 0.290 nan 8.380 nan 0.000 0.502 107 A N 0.516 123.361 122.820 0.041 0.000 1.873 107 A HA -0.202 4.118 4.320 0.000 0.000 0.215 107 A C 2.081 179.688 177.584 0.038 0.000 1.186 107 A CA 1.492 53.541 52.037 0.021 0.000 0.616 107 A CB -1.033 17.981 19.000 0.022 0.000 0.823 107 A HN 0.558 nan 8.150 nan 0.000 0.442 108 H N 0.153 119.211 119.070 -0.020 0.000 2.319 108 H HA -0.193 4.363 4.556 0.000 0.000 0.297 108 H C 1.994 177.317 175.328 -0.007 0.000 1.097 108 H CA 2.240 58.278 56.048 -0.017 0.000 1.285 108 H CB -0.288 29.466 29.762 -0.013 0.000 1.368 108 H HN 0.654 nan 8.280 nan 0.000 0.495 109 E N -0.205 119.930 120.200 -0.107 0.000 2.085 109 E HA -0.160 4.191 4.350 0.000 0.000 0.194 109 E C 2.346 178.876 176.600 -0.118 0.000 0.994 109 E CA 1.307 57.623 56.400 -0.140 0.000 0.801 109 E CB -0.178 29.500 29.700 -0.036 0.000 0.743 109 E HN 0.553 nan 8.360 nan 0.000 0.453 110 L N 0.800 121.979 121.223 -0.073 0.000 2.046 110 L HA -0.189 4.151 4.340 0.000 0.000 0.208 110 L C 2.874 179.703 176.870 -0.068 0.000 1.077 110 L CA 1.837 56.640 54.840 -0.063 0.000 0.747 110 L CB -0.532 41.494 42.059 -0.054 0.000 0.896 110 L HN 0.225 nan 8.230 nan 0.000 0.432 111 R N 0.313 120.765 120.500 -0.079 0.000 2.189 111 R HA -0.160 4.181 4.340 0.000 0.000 0.218 111 R C 2.086 178.374 176.300 -0.021 0.000 1.074 111 R CA 1.153 57.217 56.100 -0.060 0.000 0.991 111 R CB -0.322 29.936 30.300 -0.070 0.000 0.883 111 R HN 0.261 nan 8.270 nan 0.000 0.457 112 K N 1.427 121.781 120.400 -0.077 0.000 2.031 112 K HA -0.067 4.253 4.320 0.000 0.000 0.205 112 K C 1.880 178.484 176.600 0.006 0.000 1.049 112 K CA 1.274 57.542 56.287 -0.032 0.000 0.939 112 K CB 0.104 32.513 32.500 -0.152 0.000 0.717 112 K HN 0.099 nan 8.250 nan 0.000 0.438 113 K N 0.540 120.918 120.400 -0.035 0.000 2.057 113 K HA -0.118 4.202 4.320 0.000 0.000 0.207 113 K C 2.185 178.771 176.600 -0.023 0.000 1.049 113 K CA 1.314 57.580 56.287 -0.035 0.000 0.931 113 K CB -0.119 32.357 32.500 -0.040 0.000 0.714 113 K HN 0.139 nan 8.250 nan 0.000 0.440 114 L N 0.017 121.238 121.223 -0.003 0.000 1.994 114 L HA -0.218 4.122 4.340 0.000 0.000 0.208 114 L C 2.373 179.279 176.870 0.060 0.000 1.071 114 L CA 1.153 56.000 54.840 0.011 0.000 0.745 114 L CB -0.478 41.583 42.059 0.002 0.000 0.892 114 L HN 0.129 nan 8.230 nan 0.000 0.431 115 F N 1.104 121.026 119.950 -0.047 0.000 2.046 115 F HA -0.252 4.275 4.527 0.000 0.000 0.297 115 F C 2.435 178.221 175.800 -0.023 0.000 1.123 115 F CA 1.931 59.916 58.000 -0.025 0.000 1.199 115 F CB -0.537 38.452 39.000 -0.017 0.000 0.972 115 F HN 0.077 nan 8.300 nan 0.000 0.474 116 E N -0.079 119.954 120.200 -0.279 0.000 2.023 116 E HA -0.250 4.100 4.350 0.000 0.000 0.196 116 E C 2.173 178.624 176.600 -0.248 0.000 1.003 116 E CA 1.992 58.183 56.400 -0.349 0.000 0.809 116 E CB -0.305 29.297 29.700 -0.164 0.000 0.755 116 E HN 0.577 nan 8.360 nan 0.000 0.449 117 E N 0.074 120.188 120.200 -0.143 0.000 2.072 117 E HA -0.090 4.261 4.350 0.000 0.000 0.190 117 E C 1.590 178.128 176.600 -0.102 0.000 0.982 117 E CA 0.798 57.133 56.400 -0.109 0.000 0.803 117 E CB 0.204 29.861 29.700 -0.072 0.000 0.755 117 E HN 0.035 nan 8.360 nan 0.000 0.453 118 K N -0.535 119.815 120.400 -0.084 0.000 2.402 118 K HA 0.209 4.529 4.320 0.000 0.000 0.204 118 K C 0.002 176.576 176.600 -0.042 0.000 1.056 118 K CA -0.113 56.138 56.287 -0.059 0.000 1.069 118 K CB 1.324 33.801 32.500 -0.038 0.000 0.888 118 K HN -0.075 nan 8.250 nan 0.000 0.546 119 R N 0.821 121.288 120.500 -0.055 0.000 3.872 119 R HA -0.134 4.206 4.340 0.000 0.000 0.341 119 R C -0.621 175.782 176.300 0.173 0.000 1.172 119 R CA 0.521 56.646 56.100 0.041 0.000 0.901 119 R CB -2.419 27.881 30.300 0.001 0.000 1.422 119 R HN 0.308 nan 8.270 nan 0.000 0.523 120 R N 1.389 121.970 120.500 0.136 0.000 2.242 120 R HA 0.152 4.492 4.340 0.000 0.000 0.334 120 R C 0.359 176.744 176.300 0.142 0.000 1.071 120 R CA -0.487 55.676 56.100 0.104 0.000 0.922 120 R CB 0.540 30.855 30.300 0.025 0.000 1.023 120 R HN 0.145 nan 8.270 nan 0.000 0.458 121 H N 3.228 122.328 119.070 0.050 0.000 2.646 121 H HA 0.157 4.713 4.556 0.000 0.000 0.325 121 H C -0.358 174.944 175.328 -0.043 0.000 1.075 121 H CA -0.261 55.783 56.048 -0.006 0.000 1.421 121 H CB 0.619 30.369 29.762 -0.020 0.000 1.461 121 H HN 0.358 nan 8.280 nan 0.000 0.525 122 I N 5.419 125.530 120.570 -0.764 0.000 2.330 122 I HA 0.028 4.198 4.170 0.000 0.000 0.289 122 I C 0.749 176.389 176.117 -0.795 0.000 1.001 122 I CA -0.219 60.737 61.300 -0.574 0.000 1.193 122 I CB 0.916 38.712 38.000 -0.340 0.000 1.345 122 I HN 0.793 nan 8.210 nan 0.000 0.461 123 N N 3.441 121.866 118.700 -0.458 0.000 2.422 123 N HA -0.036 4.704 4.740 0.000 0.000 0.181 123 N C 0.615 176.087 175.510 -0.064 0.000 1.080 123 N CA 0.371 53.332 53.050 -0.148 0.000 0.893 123 N CB 0.519 39.065 38.487 0.099 0.000 0.973 123 N HN 0.803 nan 8.380 nan 0.000 0.456 124 T N -5.245 109.239 114.554 -0.116 0.000 2.724 124 T HA 0.294 4.644 4.350 0.000 0.000 0.274 124 T C 1.029 175.687 174.700 -0.071 0.000 0.984 124 T CA -0.141 61.932 62.100 -0.044 0.000 1.024 124 T CB 0.889 69.774 68.868 0.028 0.000 1.320 124 T HN 0.013 nan 8.240 nan 0.000 0.555 125 T N -1.777 112.765 114.554 -0.020 0.000 3.044 125 T HA 0.244 4.594 4.350 0.000 0.000 0.250 125 T C 1.163 175.854 174.700 -0.016 0.000 1.081 125 T CA 0.259 62.349 62.100 -0.018 0.000 1.040 125 T CB -0.268 68.604 68.868 0.008 0.000 0.962 125 T HN 0.668 nan 8.240 nan 0.000 0.506 126 S N 3.265 118.962 115.700 -0.005 0.000 2.546 126 S HA 0.025 4.495 4.470 0.000 0.000 0.290 126 S C 0.905 175.452 174.600 -0.088 0.000 1.262 126 S CA -0.306 57.905 58.200 0.018 0.000 1.083 126 S CB -0.034 63.238 63.200 0.119 0.000 0.859 126 S HN 0.580 nan 8.310 nan 0.000 0.495 127 D N 3.511 123.893 120.400 -0.030 0.000 2.363 127 D HA 0.023 4.663 4.640 0.000 0.000 0.226 127 D C 1.257 177.440 176.300 -0.196 0.000 1.020 127 D CA 0.352 54.298 54.000 -0.091 0.000 0.892 127 D CB -0.047 40.737 40.800 -0.027 0.000 0.900 127 D HN 0.387 nan 8.370 nan 0.000 0.531 128 S N -0.169 115.432 115.700 -0.165 0.000 2.446 128 S HA -0.080 4.390 4.470 0.000 0.000 0.225 128 S C 1.640 176.046 174.600 -0.323 0.000 1.016 128 S CA 0.264 58.332 58.200 -0.221 0.000 0.943 128 S CB -0.025 63.266 63.200 0.152 0.000 0.786 128 S HN 0.395 nan 8.310 nan 0.000 0.508 129 E N 1.129 120.975 120.200 -0.591 0.000 2.216 129 E HA -0.003 4.347 4.350 0.000 0.000 0.192 129 E C 1.753 178.126 176.600 -0.378 0.000 0.988 129 E CA 0.495 56.440 56.400 -0.758 0.000 0.834 129 E CB -0.000 29.107 29.700 -0.987 0.000 0.772 129 E HN 0.439 nan 8.360 nan 0.000 0.479 130 I N 0.957 121.348 120.570 -0.297 0.000 2.133 130 I HA -0.283 3.887 4.170 0.000 0.000 0.238 130 I C 2.630 178.647 176.117 -0.167 0.000 1.074 130 I CA 0.847 62.028 61.300 -0.199 0.000 1.342 130 I CB -0.404 37.499 38.000 -0.162 0.000 1.053 130 I HN 0.237 nan 8.210 nan 0.000 0.404 131 L N 0.587 121.684 121.223 -0.210 0.000 2.043 131 L HA -0.263 4.077 4.340 0.000 0.000 0.212 131 L C 2.599 179.437 176.870 -0.052 0.000 1.075 131 L CA 1.411 56.142 54.840 -0.183 0.000 0.752 131 L CB -0.224 41.635 42.059 -0.333 0.000 0.891 131 L HN 0.265 nan 8.230 nan 0.000 0.432 132 L N -0.525 120.665 121.223 -0.055 0.000 2.131 132 L HA -0.210 4.131 4.340 0.000 0.000 0.210 132 L C 2.076 178.974 176.870 0.048 0.000 1.092 132 L CA 1.736 56.611 54.840 0.058 0.000 0.759 132 L CB -0.728 41.350 42.059 0.032 0.000 0.903 132 L HN 0.283 nan 8.230 nan 0.000 0.435 133 N N -0.203 118.475 118.700 -0.036 0.000 2.207 133 N HA -0.096 4.644 4.740 0.000 0.000 0.182 133 N C 1.797 177.301 175.510 -0.009 0.000 1.020 133 N CA 1.556 54.583 53.050 -0.039 0.000 0.858 133 N CB 0.049 38.491 38.487 -0.075 0.000 0.991 133 N HN 0.335 nan 8.380 nan 0.000 0.427 134 I N 1.002 121.572 120.570 -0.000 0.000 2.127 134 I HA -0.267 3.903 4.170 0.000 0.000 0.241 134 I C 2.259 178.425 176.117 0.082 0.000 1.075 134 I CA 1.076 62.386 61.300 0.016 0.000 1.334 134 I CB -1.256 36.740 38.000 -0.007 0.000 1.040 134 I HN 0.031 nan 8.210 nan 0.000 0.405 135 F N 2.126 122.037 119.950 -0.065 0.000 2.161 135 F HA -0.172 4.355 4.527 0.000 0.000 0.300 135 F C 2.452 178.233 175.800 -0.032 0.000 1.089 135 F CA 1.254 59.218 58.000 -0.061 0.000 1.282 135 F CB -0.463 38.517 39.000 -0.033 0.000 1.010 135 F HN 0.038 nan 8.300 nan 0.000 0.485 136 A N -0.456 122.319 122.820 -0.075 0.000 1.929 136 A HA -0.112 4.209 4.320 0.000 0.000 0.216 136 A C 2.386 179.893 177.584 -0.128 0.000 1.176 136 A CA 1.781 53.711 52.037 -0.177 0.000 0.628 136 A CB -1.244 17.702 19.000 -0.089 0.000 0.816 136 A HN 0.482 nan 8.150 nan 0.000 0.444 137 S N -0.320 115.341 115.700 -0.065 0.000 2.371 137 S HA -0.134 4.336 4.470 0.000 0.000 0.224 137 S C 1.654 176.243 174.600 -0.019 0.000 1.029 137 S CA 1.212 59.388 58.200 -0.041 0.000 0.978 137 S CB -0.373 62.810 63.200 -0.028 0.000 0.833 137 S HN 0.485 nan 8.310 nan 0.000 0.466 138 E N 1.787 121.982 120.200 -0.008 0.000 2.077 138 E HA -0.013 4.338 4.350 0.000 0.000 0.193 138 E C 2.112 178.791 176.600 0.131 0.000 0.989 138 E CA 0.983 57.416 56.400 0.055 0.000 0.800 138 E CB -0.535 29.212 29.700 0.078 0.000 0.746 138 E HN 0.577 nan 8.360 nan 0.000 0.452 139 L N 0.970 122.162 121.223 -0.051 0.000 2.275 139 L HA -0.150 4.191 4.340 0.000 0.000 0.215 139 L C 2.172 179.179 176.870 0.228 0.000 1.119 139 L CA 0.694 55.509 54.840 -0.040 0.000 0.790 139 L CB -0.264 41.577 42.059 -0.363 0.000 0.919 139 L HN 0.001 nan 8.230 nan 0.000 0.443 140 D N 0.538 120.995 120.400 0.095 0.000 2.178 140 D HA -0.171 4.469 4.640 0.000 0.000 0.201 140 D C 1.668 178.025 176.300 0.095 0.000 0.980 140 D CA 0.881 54.912 54.000 0.052 0.000 0.842 140 D CB -0.026 40.759 40.800 -0.025 0.000 0.948 140 D HN 0.212 nan 8.370 nan 0.000 0.472 141 N N -0.342 118.417 118.700 0.099 0.000 2.635 141 N HA -0.100 4.641 4.740 0.000 0.000 0.191 141 N C -0.330 175.029 175.510 -0.252 0.000 1.155 141 N CA 0.340 53.331 53.050 -0.099 0.000 0.927 141 N CB -0.196 38.158 38.487 -0.221 0.000 0.976 141 N HN 0.192 nan 8.380 nan 0.000 0.448 142 F N 0.321 120.307 119.950 0.059 0.000 2.404 142 F HA 0.390 4.918 4.527 0.000 0.000 0.339 142 F C 1.603 177.519 175.800 0.193 0.000 1.105 142 F CA -0.905 57.173 58.000 0.131 0.000 1.087 142 F CB 1.255 40.375 39.000 0.199 0.000 1.143 142 F HN -0.303 nan 8.300 nan 0.000 0.491 143 R N 0.581 121.248 120.500 0.278 0.000 2.048 143 R HA -0.000 4.340 4.340 0.000 0.000 0.221 143 R C 0.517 177.052 176.300 0.392 0.000 1.174 143 R CA 0.610 56.854 56.100 0.240 0.000 0.971 143 R CB -1.004 29.352 30.300 0.092 0.000 0.863 143 R HN 0.697 nan 8.270 nan 0.000 0.439 144 H N 0.154 119.327 119.070 0.172 0.000 2.871 144 H HA 0.059 4.615 4.556 0.000 0.000 0.355 144 H C -0.845 174.626 175.328 0.238 0.000 1.092 144 H CA -0.446 55.705 56.048 0.171 0.000 1.420 144 H CB -0.164 29.666 29.762 0.113 0.000 1.400 144 H HN 0.162 nan 8.280 nan 0.000 0.604 145 Y N 4.423 124.758 120.300 0.058 0.000 2.361 145 Y HA 0.426 4.976 4.550 0.000 0.000 0.337 145 Y C -2.542 173.312 175.900 -0.077 0.000 0.965 145 Y CA -2.220 55.880 58.100 0.001 0.000 1.091 145 Y CB 1.469 40.011 38.460 0.138 0.000 1.182 145 Y HN 0.768 nan 8.280 nan 0.000 0.450 146 P HA 0.353 nan 4.420 nan 0.000 0.278 146 P C -0.872 176.023 177.300 -0.675 0.000 1.266 146 P CA -0.557 61.910 63.100 -1.054 0.000 0.807 146 P CB 1.722 32.730 31.700 -1.153 0.000 1.094 147 L N 0.291 121.262 121.223 -0.420 0.000 2.473 147 L HA 0.194 4.534 4.340 0.000 0.000 0.268 147 L C 1.114 177.769 176.870 -0.358 0.000 1.215 147 L CA -0.142 54.403 54.840 -0.492 0.000 0.823 147 L CB -0.119 41.570 42.059 -0.616 0.000 1.099 147 L HN 0.347 nan 8.230 nan 0.000 0.483 148 E N 0.073 120.105 120.200 -0.280 0.000 2.264 148 E HA 0.328 4.678 4.350 0.000 0.000 0.260 148 E C 0.630 177.015 176.600 -0.358 0.000 0.961 148 E CA -0.330 55.942 56.400 -0.213 0.000 0.834 148 E CB 1.668 31.330 29.700 -0.063 0.000 1.230 148 E HN 0.610 nan 8.360 nan 0.000 0.412 149 A N 1.580 124.148 122.820 -0.420 0.000 1.892 149 A HA -0.265 4.055 4.320 0.000 0.000 0.218 149 A C 1.408 178.776 177.584 -0.359 0.000 1.188 149 A CA 2.584 54.253 52.037 -0.614 0.000 0.631 149 A CB -0.751 17.762 19.000 -0.813 0.000 0.822 149 A HN 0.630 nan 8.150 nan 0.000 0.447 150 D N -0.102 120.248 120.400 -0.082 0.000 2.149 150 D HA -0.151 4.489 4.640 0.000 0.000 0.198 150 D C 1.646 177.925 176.300 -0.036 0.000 0.990 150 D CA 1.538 55.584 54.000 0.078 0.000 0.839 150 D CB -0.451 40.399 40.800 0.084 0.000 0.948 150 D HN 0.723 nan 8.370 nan 0.000 0.460 151 N N 0.254 118.837 118.700 -0.195 0.000 2.084 151 N HA -0.088 4.653 4.740 0.000 0.000 0.190 151 N C 1.725 176.818 175.510 -0.695 0.000 1.030 151 N CA 0.699 53.457 53.050 -0.486 0.000 0.849 151 N CB -0.091 37.983 38.487 -0.688 0.000 1.012 151 N HN 0.135 nan 8.380 nan 0.000 0.423 152 I N 0.091 120.253 120.570 -0.680 0.000 2.226 152 I HA -0.242 3.929 4.170 0.000 0.000 0.245 152 I C 1.443 177.326 176.117 -0.390 0.000 1.100 152 I CA 1.099 62.008 61.300 -0.652 0.000 1.374 152 I CB -0.220 37.188 38.000 -0.987 0.000 1.057 152 I HN 0.061 nan 8.210 nan 0.000 0.413 153 F N 0.941 120.762 119.950 -0.214 0.000 2.171 153 F HA -0.167 4.360 4.527 0.000 0.000 0.300 153 F C 2.586 178.346 175.800 -0.065 0.000 1.090 153 F CA 1.114 59.047 58.000 -0.111 0.000 1.293 153 F CB -1.140 37.812 39.000 -0.080 0.000 1.013 153 F HN 0.002 nan 8.300 nan 0.000 0.486 154 A N 0.006 122.898 122.820 0.121 0.000 1.902 154 A HA -0.070 4.250 4.320 0.000 0.000 0.217 154 A C 2.470 180.131 177.584 0.128 0.000 1.181 154 A CA 1.841 53.962 52.037 0.140 0.000 0.623 154 A CB -1.296 17.839 19.000 0.224 0.000 0.818 154 A HN 0.298 nan 8.150 nan 0.000 0.443 155 A N 0.100 122.968 122.820 0.078 0.000 1.865 155 A HA -0.126 4.194 4.320 0.000 0.000 0.217 155 A C 2.136 179.788 177.584 0.114 0.000 1.191 155 A CA 1.624 53.725 52.037 0.107 0.000 0.623 155 A CB -0.705 18.291 19.000 -0.007 0.000 0.826 155 A HN 0.494 nan 8.150 nan 0.000 0.444 156 I N -0.167 120.435 120.570 0.053 0.000 2.163 156 I HA -0.335 3.836 4.170 0.000 0.000 0.243 156 I C 3.005 179.053 176.117 -0.115 0.000 1.085 156 I CA 1.232 62.419 61.300 -0.189 0.000 1.347 156 I CB -0.406 37.404 38.000 -0.317 0.000 1.044 156 I HN 0.376 nan 8.210 nan 0.000 0.408 157 A N 0.700 123.516 122.820 -0.006 0.000 1.908 157 A HA -0.229 4.091 4.320 0.000 0.000 0.218 157 A C 2.545 180.140 177.584 0.018 0.000 1.181 157 A CA 2.081 54.128 52.037 0.016 0.000 0.627 157 A CB -0.943 18.083 19.000 0.044 0.000 0.818 157 A HN 0.465 nan 8.150 nan 0.000 0.445 158 A N -1.038 121.803 122.820 0.035 0.000 1.908 158 A HA -0.109 4.211 4.320 0.000 0.000 0.218 158 A C 2.314 179.909 177.584 0.018 0.000 1.181 158 A CA 2.378 54.437 52.037 0.037 0.000 0.627 158 A CB -1.302 17.736 19.000 0.065 0.000 0.818 158 A HN 0.454 nan 8.150 nan 0.000 0.445 159 T N 0.255 114.809 114.554 0.000 0.000 2.746 159 T HA -0.145 4.205 4.350 0.000 0.000 0.267 159 T C 1.723 176.400 174.700 -0.039 0.000 1.039 159 T CA 1.673 63.752 62.100 -0.034 0.000 1.142 159 T CB -0.538 68.270 68.868 -0.100 0.000 0.866 159 T HN 0.685 nan 8.240 nan 0.000 0.444 160 N N 0.427 119.113 118.700 -0.022 0.000 2.272 160 N HA -0.058 4.682 4.740 0.000 0.000 0.185 160 N C 2.111 177.660 175.510 0.065 0.000 1.014 160 N CA 0.660 53.749 53.050 0.065 0.000 0.870 160 N CB -0.020 38.521 38.487 0.089 0.000 0.975 160 N HN 0.339 nan 8.380 nan 0.000 0.433 161 R N 0.299 120.821 120.500 0.036 0.000 2.092 161 R HA -0.022 4.318 4.340 0.000 0.000 0.231 161 R C 1.889 178.207 176.300 0.030 0.000 1.119 161 R CA 0.789 56.910 56.100 0.034 0.000 0.970 161 R CB -0.193 30.121 30.300 0.024 0.000 0.864 161 R HN 0.237 nan 8.270 nan 0.000 0.440 162 L N 0.958 122.191 121.223 0.016 0.000 2.049 162 L HA 0.057 4.397 4.340 0.000 0.000 0.203 162 L C 1.478 178.353 176.870 0.009 0.000 1.074 162 L CA 0.515 55.359 54.840 0.007 0.000 0.749 162 L CB -0.262 41.792 42.059 -0.008 0.000 0.907 162 L HN 0.179 nan 8.230 nan 0.000 0.439 163 I N -1.351 119.217 120.570 -0.003 0.000 2.764 163 I HA 0.324 4.494 4.170 0.000 0.000 0.294 163 I C -0.307 175.860 176.117 0.082 0.000 1.045 163 I CA -0.415 60.882 61.300 -0.005 0.000 1.340 163 I CB 0.951 38.879 38.000 -0.119 0.000 1.436 163 I HN 0.083 nan 8.210 nan 0.000 0.567 164 R N 2.959 123.529 120.500 0.116 0.000 2.604 164 R HA 0.705 5.046 4.340 0.000 0.000 0.281 164 R C -0.295 176.155 176.300 0.251 0.000 1.020 164 R CA -0.168 56.042 56.100 0.184 0.000 0.899 164 R CB 2.089 32.469 30.300 0.133 0.000 1.205 164 R HN 1.124 nan 8.270 nan 0.000 0.450 165 G N 0.932 109.920 108.800 0.313 0.000 2.384 165 G HA2 0.336 4.296 3.960 0.000 0.000 0.150 165 G HA3 0.336 4.296 3.960 0.000 0.000 0.150 165 G C -1.806 173.225 174.900 0.219 0.000 1.269 165 G CA -0.149 45.174 45.100 0.372 0.000 1.094 165 G HN 0.732 nan 8.290 nan 0.000 0.467 166 A N -0.630 122.375 122.820 0.309 0.000 2.414 166 A HA 1.038 5.358 4.320 0.000 0.000 0.306 166 A C -0.983 176.790 177.584 0.315 0.000 1.054 166 A CA -0.060 52.013 52.037 0.059 0.000 0.724 166 A CB 1.331 20.336 19.000 0.009 0.000 1.267 166 A HN 2.273 nan 8.150 nan 0.000 0.418 167 Y N -2.022 118.316 120.300 0.063 0.000 2.527 167 Y HA 0.670 5.220 4.550 0.000 0.000 0.328 167 Y C -0.707 175.187 175.900 -0.010 0.000 1.216 167 Y CA -0.847 57.306 58.100 0.088 0.000 1.152 167 Y CB 0.570 39.194 38.460 0.273 0.000 1.342 167 Y HN 1.313 nan 8.280 nan 0.000 0.465 168 A N 1.819 124.668 122.820 0.048 0.000 2.343 168 A HA 0.869 5.189 4.320 0.000 0.000 0.308 168 A C -1.289 176.228 177.584 -0.113 0.000 1.092 168 A CA -0.633 51.360 52.037 -0.073 0.000 0.751 168 A CB 0.777 19.727 19.000 -0.084 0.000 1.203 168 A HN 1.035 nan 8.150 nan 0.000 0.452 169 C N 1.268 120.358 119.300 -0.350 0.000 2.698 169 C HA 0.794 5.254 4.460 0.000 0.000 0.309 169 C C -0.080 174.689 174.990 -0.368 0.000 1.186 169 C CA -0.723 58.033 59.018 -0.437 0.000 1.474 169 C CB 1.154 28.310 27.740 -0.973 0.000 2.020 169 C HN 0.873 nan 8.230 nan 0.000 0.474 170 V N 2.212 122.036 119.914 -0.150 0.000 2.769 170 V HA 0.994 5.114 4.120 0.000 0.000 0.312 170 V C -0.252 175.854 176.094 0.020 0.000 1.061 170 V CA 0.183 62.457 62.300 -0.042 0.000 0.931 170 V CB 1.817 33.647 31.823 0.011 0.000 1.010 170 V HN 1.377 nan 8.190 nan 0.000 0.433 171 A N 6.365 129.247 122.820 0.102 0.000 2.602 171 A HA 0.951 5.271 4.320 0.000 0.000 0.290 171 A C -1.315 176.414 177.584 0.242 0.000 1.114 171 A CA -0.796 51.350 52.037 0.182 0.000 0.683 171 A CB 2.125 21.275 19.000 0.250 0.000 1.281 171 A HN 0.839 nan 8.150 nan 0.000 0.416 172 M N 0.683 120.461 119.600 0.296 0.000 2.433 172 M HA 0.521 5.001 4.480 0.000 0.000 0.290 172 M C -1.595 174.949 176.300 0.407 0.000 1.173 172 M CA -0.058 55.452 55.300 0.349 0.000 0.905 172 M CB 2.250 35.084 32.600 0.391 0.000 1.692 172 M HN 0.541 nan 8.290 nan 0.000 0.462 173 I N 3.767 124.537 120.570 0.335 0.000 2.439 173 I HA 0.372 4.542 4.170 0.000 0.000 0.285 173 I C -0.065 176.213 176.117 0.269 0.000 1.021 173 I CA -0.913 60.543 61.300 0.260 0.000 1.091 173 I CB 1.573 39.586 38.000 0.021 0.000 1.242 173 I HN 0.565 nan 8.210 nan 0.000 0.439 174 I N 5.436 126.139 120.570 0.221 0.000 2.845 174 I HA -0.054 4.116 4.170 0.000 0.000 0.296 174 I C 1.552 177.813 176.117 0.240 0.000 1.216 174 I CA 1.223 62.577 61.300 0.090 0.000 1.438 174 I CB -0.217 37.753 38.000 -0.049 0.000 1.342 174 I HN 1.040 nan 8.210 nan 0.000 0.577 175 G N 4.686 113.561 108.800 0.125 0.000 2.184 175 G HA2 -0.302 3.658 3.960 0.000 0.000 0.264 175 G HA3 -0.302 3.658 3.960 0.000 0.000 0.264 175 G C 0.501 175.287 174.900 -0.190 0.000 0.975 175 G CA 0.845 45.972 45.100 0.045 0.000 0.642 175 G HN 0.781 nan 8.290 nan 0.000 0.536 176 H N -1.047 118.039 119.070 0.026 0.000 2.258 176 H HA 0.556 5.112 4.556 0.000 0.000 0.185 176 H C 1.454 176.865 175.328 0.138 0.000 0.986 176 H CA 1.373 57.454 56.048 0.055 0.000 1.166 176 H CB 0.421 30.180 29.762 -0.005 0.000 1.161 176 H HN 1.160 nan 8.280 nan 0.000 0.420 177 G N -0.312 108.700 108.800 0.354 0.000 2.344 177 G HA2 0.194 4.154 3.960 0.000 0.000 0.282 177 G HA3 0.194 4.154 3.960 0.000 0.000 0.282 177 G C -1.499 173.581 174.900 0.299 0.000 1.281 177 G CA -0.516 44.727 45.100 0.238 0.000 0.877 177 G HN 0.232 nan 8.290 nan 0.000 0.494 178 M N 1.014 120.750 119.600 0.227 0.000 2.363 178 M HA 0.691 5.172 4.480 0.000 0.000 0.343 178 M C -0.169 176.313 176.300 0.303 0.000 1.165 178 M CA -0.934 54.511 55.300 0.243 0.000 1.046 178 M CB 1.620 34.325 32.600 0.174 0.000 1.648 178 M HN 1.189 nan 8.290 nan 0.000 0.452 179 V N 2.170 122.253 119.914 0.282 0.000 2.914 179 V HA 1.059 5.179 4.120 0.000 0.000 0.314 179 V C -1.462 174.756 176.094 0.207 0.000 1.084 179 V CA -0.434 62.030 62.300 0.273 0.000 0.963 179 V CB 1.724 33.682 31.823 0.226 0.000 1.025 179 V HN 1.052 nan 8.190 nan 0.000 0.432 180 A N 4.066 127.017 122.820 0.220 0.000 2.488 180 A HA 0.996 5.316 4.320 0.000 0.000 0.298 180 A C -1.116 176.604 177.584 0.226 0.000 1.044 180 A CA -0.398 51.704 52.037 0.109 0.000 0.693 180 A CB 1.482 20.530 19.000 0.080 0.000 1.272 180 A HN 2.180 nan 8.150 nan 0.000 0.402 181 F N -0.301 119.684 119.950 0.058 0.000 2.668 181 F HA 0.897 5.425 4.527 0.000 0.000 0.309 181 F C -0.757 175.096 175.800 0.087 0.000 1.117 181 F CA -0.901 57.144 58.000 0.074 0.000 0.951 181 F CB 1.478 40.512 39.000 0.057 0.000 1.323 181 F HN 0.736 nan 8.300 nan 0.000 0.451 182 R N 1.260 121.899 120.500 0.233 0.000 2.795 182 R HA 0.312 4.652 4.340 0.000 0.000 0.275 182 R C -1.164 175.085 176.300 -0.085 0.000 0.981 182 R CA -0.776 55.337 56.100 0.022 0.000 0.917 182 R CB 1.709 31.998 30.300 -0.017 0.000 1.202 182 R HN 0.960 nan 8.270 nan 0.000 0.469 183 D N 3.001 123.083 120.400 -0.530 0.000 2.362 183 D HA 0.003 4.643 4.640 0.000 0.000 0.238 183 D C -1.867 174.267 176.300 -0.276 0.000 1.212 183 D CA -1.190 52.356 54.000 -0.758 0.000 0.902 183 D CB 0.885 41.059 40.800 -1.043 0.000 1.180 183 D HN 0.270 nan 8.370 nan 0.000 0.445 184 P HA -0.051 nan 4.420 nan 0.000 0.225 184 P C 0.189 177.434 177.300 -0.091 0.000 1.148 184 P CA 1.000 64.055 63.100 -0.076 0.000 0.779 184 P CB 0.101 31.787 31.700 -0.024 0.000 0.780 185 N N -1.517 117.098 118.700 -0.141 0.000 2.230 185 N HA 0.207 4.947 4.740 0.000 0.000 0.202 185 N C 0.876 176.311 175.510 -0.125 0.000 1.119 185 N CA 0.379 53.352 53.050 -0.129 0.000 0.851 185 N CB -0.278 38.112 38.487 -0.161 0.000 0.990 185 N HN -0.067 nan 8.380 nan 0.000 0.497 186 G N 1.015 109.739 108.800 -0.128 0.000 2.379 186 G HA2 -0.306 3.655 3.960 0.000 0.000 0.297 186 G HA3 -0.306 3.655 3.960 0.000 0.000 0.297 186 G C 0.791 175.642 174.900 -0.082 0.000 1.004 186 G CA 0.565 45.610 45.100 -0.092 0.000 0.921 186 G HN 0.380 nan 8.290 nan 0.000 0.511 187 I N -0.809 119.678 120.570 -0.139 0.000 2.162 187 I HA 0.050 4.221 4.170 0.000 0.000 0.238 187 I C 1.775 177.841 176.117 -0.084 0.000 1.076 187 I CA 0.740 61.971 61.300 -0.114 0.000 1.353 187 I CB -0.183 37.688 38.000 -0.214 0.000 1.063 187 I HN 0.073 nan 8.210 nan 0.000 0.408 188 R N 2.445 122.875 120.500 -0.116 0.000 2.340 188 R HA 0.265 4.605 4.340 0.000 0.000 0.300 188 R C -2.278 173.972 176.300 -0.082 0.000 1.069 188 R CA -2.065 53.969 56.100 -0.109 0.000 0.984 188 R CB -0.176 30.054 30.300 -0.117 0.000 1.003 188 R HN 0.053 nan 8.270 nan 0.000 0.459 189 P HA 0.153 nan 4.420 nan 0.000 0.271 189 P C -0.697 176.591 177.300 -0.021 0.000 1.218 189 P CA -0.339 62.742 63.100 -0.032 0.000 0.780 189 P CB 0.904 32.581 31.700 -0.038 0.000 0.901 190 L N 2.878 124.110 121.223 0.015 0.000 2.643 190 L HA 0.412 4.753 4.340 0.000 0.000 0.257 190 L C -1.125 175.779 176.870 0.056 0.000 0.922 190 L CA -0.745 54.107 54.840 0.020 0.000 0.909 190 L CB 1.769 43.826 42.059 -0.005 0.000 1.424 190 L HN 0.342 nan 8.230 nan 0.000 0.422 191 V N 1.718 121.670 119.914 0.063 0.000 3.130 191 V HA 0.861 4.981 4.120 0.000 0.000 0.310 191 V C -1.455 174.639 176.094 -0.000 0.000 1.158 191 V CA -0.911 61.427 62.300 0.062 0.000 1.029 191 V CB 1.937 33.885 31.823 0.209 0.000 1.057 191 V HN 0.870 nan 8.190 nan 0.000 0.436 192 L N 1.071 122.234 121.223 -0.101 0.000 2.370 192 L HA 1.085 5.425 4.340 0.000 0.000 0.266 192 L C 0.012 176.816 176.870 -0.109 0.000 1.002 192 L CA 0.506 55.313 54.840 -0.054 0.000 0.818 192 L CB 1.846 43.890 42.059 -0.025 0.000 1.325 192 L HN 1.312 nan 8.230 nan 0.000 0.418 193 G N 2.276 111.117 108.800 0.069 0.000 2.682 193 G HA2 0.696 4.656 3.960 0.000 0.000 0.290 193 G HA3 0.696 4.656 3.960 0.000 0.000 0.290 193 G C -1.986 173.102 174.900 0.313 0.000 1.425 193 G CA -0.600 44.589 45.100 0.148 0.000 0.807 193 G HN 0.789 nan 8.290 nan 0.000 0.482 194 K N -0.928 119.597 120.400 0.210 0.000 2.522 194 K HA 0.829 5.150 4.320 0.000 0.000 0.275 194 K C -0.924 175.410 176.600 -0.442 0.000 1.006 194 K CA -1.071 55.164 56.287 -0.087 0.000 0.890 194 K CB 2.207 34.550 32.500 -0.262 0.000 1.475 194 K HN 0.550 nan 8.250 nan 0.000 0.441 195 R N 1.517 121.560 120.500 -0.760 0.000 2.569 195 R HA 0.230 4.570 4.340 0.000 0.000 0.293 195 R C -1.448 174.554 176.300 -0.497 0.000 1.186 195 R CA -0.455 55.181 56.100 -0.772 0.000 0.956 195 R CB 0.991 30.438 30.300 -1.421 0.000 1.196 195 R HN 0.878 nan 8.270 nan 0.000 0.444 196 D N 4.777 124.983 120.400 -0.324 0.000 2.382 196 D HA 0.119 4.759 4.640 0.000 0.000 0.245 196 D C 1.224 177.412 176.300 -0.186 0.000 1.120 196 D CA -0.179 53.683 54.000 -0.230 0.000 0.890 196 D CB 1.323 42.028 40.800 -0.158 0.000 1.201 196 D HN 0.423 nan 8.370 nan 0.000 0.433 197 I N 0.691 121.172 120.570 -0.148 0.000 3.883 197 I HA 0.054 4.225 4.170 0.000 0.000 0.305 197 I C 0.445 176.516 176.117 -0.076 0.000 1.247 197 I CA 0.464 61.699 61.300 -0.108 0.000 1.350 197 I CB -0.269 37.673 38.000 -0.095 0.000 1.194 197 I HN 0.477 nan 8.210 nan 0.000 0.441 198 D N -1.305 119.052 120.400 -0.071 0.000 3.213 198 D HA 0.021 4.661 4.640 0.000 0.000 0.357 198 D C 0.302 176.575 176.300 -0.045 0.000 1.446 198 D CA -0.443 53.526 54.000 -0.051 0.000 0.893 198 D CB 0.537 41.313 40.800 -0.039 0.000 1.466 198 D HN -0.305 nan 8.370 nan 0.000 0.541 199 E N -0.707 119.473 120.200 -0.033 0.000 2.401 199 E HA -0.101 4.249 4.350 0.000 0.000 0.204 199 E C 0.304 176.888 176.600 -0.026 0.000 1.036 199 E CA 2.259 58.643 56.400 -0.027 0.000 0.856 199 E CB -0.298 29.390 29.700 -0.020 0.000 0.770 199 E HN 0.485 nan 8.360 nan 0.000 0.527 200 N N -2.613 116.069 118.700 -0.030 0.000 2.050 200 N HA -0.030 4.710 4.740 0.000 0.000 0.293 200 N C -0.296 175.195 175.510 -0.031 0.000 1.155 200 N CA -0.241 52.794 53.050 -0.025 0.000 0.731 200 N CB -0.044 38.434 38.487 -0.016 0.000 1.741 200 N HN -0.142 nan 8.380 nan 0.000 0.662 201 R N 1.331 121.807 120.500 -0.040 0.000 2.413 201 R HA 0.310 4.650 4.340 0.000 0.000 0.333 201 R C -0.636 175.607 176.300 -0.096 0.000 1.074 201 R CA 0.624 56.693 56.100 -0.051 0.000 0.982 201 R CB -0.305 29.967 30.300 -0.047 0.000 0.981 201 R HN 0.094 nan 8.270 nan 0.000 0.452 202 T N 2.885 117.367 114.554 -0.121 0.000 2.881 202 T HA 0.221 4.571 4.350 0.000 0.000 0.290 202 T C -0.444 174.032 174.700 -0.373 0.000 1.000 202 T CA -0.831 61.111 62.100 -0.264 0.000 0.978 202 T CB 2.074 70.778 68.868 -0.274 0.000 0.997 202 T HN 0.417 nan 8.240 nan 0.000 0.443 203 E N 1.723 121.661 120.200 -0.437 0.000 2.248 203 E HA 0.542 4.893 4.350 0.000 0.000 0.272 203 E C -1.141 175.177 176.600 -0.471 0.000 1.008 203 E CA -0.743 55.481 56.400 -0.294 0.000 0.856 203 E CB 1.426 31.064 29.700 -0.102 0.000 1.120 203 E HN 0.518 nan 8.360 nan 0.000 0.397 204 Y N 0.685 121.113 120.300 0.214 0.000 2.602 204 Y HA 0.547 5.097 4.550 0.000 0.000 0.342 204 Y C 0.127 176.190 175.900 0.272 0.000 1.029 204 Y CA -1.073 57.172 58.100 0.242 0.000 1.080 204 Y CB 1.880 40.404 38.460 0.107 0.000 1.284 204 Y HN 0.486 nan 8.280 nan 0.000 0.485 205 M N 1.277 121.068 119.600 0.318 0.000 2.562 205 M HA 0.792 5.273 4.480 0.000 0.000 0.281 205 M C -2.214 174.111 176.300 0.043 0.000 1.195 205 M CA -0.923 54.412 55.300 0.058 0.000 0.888 205 M CB 2.295 34.688 32.600 -0.346 0.000 1.731 205 M HN 0.435 nan 8.290 nan 0.000 0.493 206 V N -0.299 119.621 119.914 0.010 0.000 2.914 206 V HA 1.109 5.229 4.120 0.000 0.000 0.314 206 V C -0.741 175.345 176.094 -0.013 0.000 1.084 206 V CA 0.004 62.312 62.300 0.014 0.000 0.963 206 V CB 1.169 33.012 31.823 0.033 0.000 1.025 206 V HN 1.527 nan 8.190 nan 0.000 0.432 207 A N 1.594 124.415 122.820 0.002 0.000 2.612 207 A HA 0.710 5.031 4.320 0.000 0.000 0.293 207 A C 0.350 177.943 177.584 0.014 0.000 1.075 207 A CA 0.068 52.103 52.037 -0.002 0.000 0.680 207 A CB 1.267 20.262 19.000 -0.008 0.000 1.279 207 A HN 1.180 nan 8.150 nan 0.000 0.411 208 S N 0.012 115.711 115.700 -0.002 0.000 2.555 208 S HA 0.086 4.556 4.470 0.000 0.000 0.230 208 S C 0.303 174.920 174.600 0.029 0.000 0.978 208 S CA 1.165 59.362 58.200 -0.005 0.000 0.934 208 S CB -0.185 62.992 63.200 -0.038 0.000 0.766 208 S HN 0.610 nan 8.310 nan 0.000 0.533 209 E N -0.307 119.926 120.200 0.055 0.000 2.335 209 E HA 0.170 4.520 4.350 0.000 0.000 0.280 209 E C 0.194 176.872 176.600 0.130 0.000 0.918 209 E CA -0.134 56.323 56.400 0.096 0.000 0.765 209 E CB 1.699 31.461 29.700 0.102 0.000 1.218 209 E HN 0.176 nan 8.360 nan 0.000 0.425 210 S N 0.605 116.420 115.700 0.191 0.000 2.420 210 S HA -0.199 4.271 4.470 0.000 0.000 0.237 210 S C 1.962 176.668 174.600 0.175 0.000 1.023 210 S CA 1.588 59.939 58.200 0.253 0.000 0.991 210 S CB -0.740 62.628 63.200 0.280 0.000 0.792 210 S HN 0.445 nan 8.310 nan 0.000 0.488 211 V N 0.459 120.447 119.914 0.123 0.000 2.392 211 V HA -0.048 4.072 4.120 0.000 0.000 0.249 211 V C 2.787 178.924 176.094 0.073 0.000 1.059 211 V CA 1.495 63.848 62.300 0.089 0.000 1.051 211 V CB -1.923 29.939 31.823 0.065 0.000 0.658 211 V HN 0.568 nan 8.190 nan 0.000 0.455 212 A N 0.305 123.160 122.820 0.059 0.000 1.972 212 A HA -0.020 4.300 4.320 0.000 0.000 0.219 212 A C 2.084 179.665 177.584 -0.005 0.000 1.169 212 A CA 2.073 54.117 52.037 0.012 0.000 0.635 212 A CB -0.552 18.438 19.000 -0.016 0.000 0.810 212 A HN 0.516 nan 8.150 nan 0.000 0.446 213 L N -0.065 121.189 121.223 0.052 0.000 2.068 213 L HA -0.068 4.272 4.340 0.000 0.000 0.204 213 L C 1.995 178.956 176.870 0.152 0.000 1.076 213 L CA 1.754 56.645 54.840 0.086 0.000 0.753 213 L CB -0.776 41.401 42.059 0.197 0.000 0.910 213 L HN 0.269 nan 8.230 nan 0.000 0.439 214 D N -0.818 119.669 120.400 0.145 0.000 2.120 214 D HA -0.244 4.396 4.640 0.000 0.000 0.191 214 D C 2.123 178.487 176.300 0.107 0.000 0.994 214 D CA 2.060 56.137 54.000 0.128 0.000 0.838 214 D CB -0.659 40.205 40.800 0.107 0.000 0.976 214 D HN 0.199 nan 8.370 nan 0.000 0.447 215 T N 0.194 114.795 114.554 0.078 0.000 2.760 215 T HA -0.142 4.208 4.350 0.000 0.000 0.269 215 T C 1.760 176.509 174.700 0.082 0.000 1.047 215 T CA 0.793 62.931 62.100 0.063 0.000 1.139 215 T CB -0.227 68.664 68.868 0.039 0.000 0.855 215 T HN 0.080 nan 8.240 nan 0.000 0.471 216 L N -0.343 120.942 121.223 0.104 0.000 2.592 216 L HA 0.289 4.629 4.340 0.000 0.000 0.227 216 L C 1.800 178.855 176.870 0.308 0.000 1.127 216 L CA 0.410 55.351 54.840 0.168 0.000 0.884 216 L CB -0.170 41.936 42.059 0.077 0.000 1.065 216 L HN 0.470 nan 8.230 nan 0.000 0.457 217 G N 0.049 108.993 108.800 0.240 0.000 2.160 217 G HA2 -0.306 3.654 3.960 0.000 0.000 0.251 217 G HA3 -0.306 3.654 3.960 0.000 0.000 0.251 217 G C 0.013 175.044 174.900 0.217 0.000 1.008 217 G CA -0.265 44.947 45.100 0.187 0.000 0.724 217 G HN 0.138 nan 8.290 nan 0.000 0.514 218 F N 1.511 121.480 119.950 0.031 0.000 2.384 218 F HA 0.383 4.911 4.527 0.000 0.000 0.338 218 F C 0.854 176.684 175.800 0.049 0.000 1.103 218 F CA -1.270 56.743 58.000 0.022 0.000 1.157 218 F CB 0.783 39.799 39.000 0.026 0.000 1.167 218 F HN 0.004 nan 8.300 nan 0.000 0.529 219 D N 3.072 123.555 120.400 0.138 0.000 2.312 219 D HA 0.006 4.646 4.640 0.000 0.000 0.252 219 D C -0.316 176.101 176.300 0.195 0.000 1.150 219 D CA -0.080 53.999 54.000 0.131 0.000 0.870 219 D CB 0.732 41.558 40.800 0.043 0.000 1.153 219 D HN 0.292 nan 8.370 nan 0.000 0.457 220 F N 2.866 122.864 119.950 0.079 0.000 2.541 220 F HA 0.011 4.539 4.527 0.000 0.000 0.378 220 F C 0.635 176.473 175.800 0.063 0.000 1.068 220 F CA 0.002 58.049 58.000 0.078 0.000 1.199 220 F CB 0.404 39.430 39.000 0.044 0.000 1.091 220 F HN 0.312 nan 8.300 nan 0.000 0.555 221 L N 5.346 126.240 121.223 -0.548 0.000 2.185 221 L HA 0.268 4.608 4.340 0.000 0.000 0.198 221 L C 0.298 176.811 176.870 -0.595 0.000 1.079 221 L CA 0.280 54.904 54.840 -0.360 0.000 0.780 221 L CB -0.116 41.844 42.059 -0.166 0.000 0.955 221 L HN 0.725 nan 8.230 nan 0.000 0.462 222 R N -1.492 118.442 120.500 -0.944 0.000 3.176 222 R HA 0.190 4.530 4.340 0.000 0.000 0.284 222 R C -1.860 174.253 176.300 -0.311 0.000 0.985 222 R CA -0.861 54.915 56.100 -0.541 0.000 0.853 222 R CB 0.305 30.524 30.300 -0.136 0.000 1.309 222 R HN -0.203 nan 8.270 nan 0.000 0.528 223 D N 0.193 120.609 120.400 0.026 0.000 2.363 223 D HA 0.292 4.932 4.640 0.000 0.000 0.240 223 D C -0.433 175.881 176.300 0.022 0.000 1.236 223 D CA 0.037 54.086 54.000 0.082 0.000 0.927 223 D CB 0.879 41.771 40.800 0.153 0.000 1.150 223 D HN 0.261 nan 8.370 nan 0.000 0.458 224 V N 1.432 121.365 119.914 0.032 0.000 2.432 224 V HA 0.453 4.573 4.120 0.000 0.000 0.275 224 V C 0.424 176.537 176.094 0.031 0.000 1.043 224 V CA -0.713 61.604 62.300 0.029 0.000 0.925 224 V CB 1.043 32.889 31.823 0.040 0.000 0.985 224 V HN 0.695 nan 8.190 nan 0.000 0.466 225 A N 7.878 130.714 122.820 0.025 0.000 2.448 225 A HA 0.474 4.794 4.320 0.000 0.000 0.239 225 A C -2.350 175.240 177.584 0.010 0.000 1.080 225 A CA -1.003 51.044 52.037 0.017 0.000 0.779 225 A CB -0.336 18.669 19.000 0.008 0.000 1.026 225 A HN 0.691 nan 8.150 nan 0.000 0.499 226 P HA 0.217 nan 4.420 nan 0.000 0.265 226 P C 1.084 178.377 177.300 -0.012 0.000 1.193 226 P CA 1.900 64.983 63.100 -0.028 0.000 0.765 226 P CB 0.590 32.266 31.700 -0.039 0.000 0.823 227 G N 1.543 110.338 108.800 -0.008 0.000 2.228 227 G HA2 -0.333 3.628 3.960 0.000 0.000 0.270 227 G HA3 -0.333 3.628 3.960 0.000 0.000 0.270 227 G C 0.396 175.335 174.900 0.065 0.000 0.976 227 G CA 0.376 45.495 45.100 0.031 0.000 0.636 227 G HN 0.629 nan 8.290 nan 0.000 0.542 228 E N 0.562 120.797 120.200 0.059 0.000 2.392 228 E HA 0.588 4.939 4.350 0.000 0.000 0.256 228 E C 0.388 177.084 176.600 0.160 0.000 1.145 228 E CA 0.070 56.510 56.400 0.066 0.000 0.929 228 E CB 0.638 30.363 29.700 0.042 0.000 0.998 228 E HN 0.937 nan 8.360 nan 0.000 0.442 229 A N 3.001 125.935 122.820 0.190 0.000 2.498 229 A HA 0.629 4.949 4.320 0.000 0.000 0.298 229 A C -1.295 176.553 177.584 0.439 0.000 1.075 229 A CA -0.746 51.517 52.037 0.376 0.000 0.714 229 A CB 1.232 20.537 19.000 0.508 0.000 1.299 229 A HN 0.474 nan 8.150 nan 0.000 0.407 230 I N 1.061 121.900 120.570 0.449 0.000 2.582 230 I HA 0.372 4.542 4.170 0.000 0.000 0.292 230 I C -1.588 174.784 176.117 0.424 0.000 1.066 230 I CA -0.309 61.228 61.300 0.394 0.000 1.053 230 I CB 1.716 39.842 38.000 0.210 0.000 1.241 230 I HN 0.762 nan 8.210 nan 0.000 0.421 231 Y N 7.030 127.501 120.300 0.284 0.000 2.331 231 Y HA 0.617 5.167 4.550 0.000 0.000 0.326 231 Y C -1.391 174.631 175.900 0.204 0.000 1.020 231 Y CA -1.044 57.136 58.100 0.133 0.000 1.136 231 Y CB 1.400 39.769 38.460 -0.152 0.000 1.157 231 Y HN 0.426 nan 8.280 nan 0.000 0.444 232 I N 6.519 126.986 120.570 -0.172 0.000 2.355 232 I HA 0.307 4.477 4.170 0.000 0.000 0.288 232 I C 0.326 176.173 176.117 -0.450 0.000 0.999 232 I CA -0.727 60.413 61.300 -0.267 0.000 1.163 232 I CB 1.886 39.846 38.000 -0.067 0.000 1.316 232 I HN 0.738 nan 8.210 nan 0.000 0.454 233 T N 0.776 115.038 114.554 -0.487 0.000 2.788 233 T HA 0.180 4.530 4.350 0.000 0.000 0.287 233 T C 0.886 175.519 174.700 -0.110 0.000 1.007 233 T CA -0.470 61.410 62.100 -0.366 0.000 1.005 233 T CB 0.936 69.679 68.868 -0.209 0.000 1.012 233 T HN 0.622 nan 8.240 nan 0.000 0.530 234 E N -0.046 120.127 120.200 -0.044 0.000 2.401 234 E HA -0.111 4.239 4.350 0.000 0.000 0.199 234 E C 1.521 178.123 176.600 0.002 0.000 1.023 234 E CA 0.676 57.078 56.400 0.003 0.000 0.859 234 E CB 0.030 29.735 29.700 0.008 0.000 0.780 234 E HN 0.655 nan 8.360 nan 0.000 0.523 235 E N -0.782 119.411 120.200 -0.013 0.000 2.400 235 E HA 0.041 4.391 4.350 0.000 0.000 0.195 235 E C 0.991 177.599 176.600 0.014 0.000 1.012 235 E CA 0.654 57.054 56.400 -0.001 0.000 0.875 235 E CB 0.796 30.492 29.700 -0.006 0.000 0.859 235 E HN 0.295 nan 8.360 nan 0.000 0.498 236 G N 0.666 109.478 108.800 0.020 0.000 2.154 236 G HA2 -0.255 3.705 3.960 0.000 0.000 0.186 236 G HA3 -0.255 3.705 3.960 0.000 0.000 0.186 236 G C -0.010 174.924 174.900 0.055 0.000 1.000 236 G CA -0.019 45.135 45.100 0.090 0.000 0.664 236 G HN 0.236 nan 8.290 nan 0.000 0.513 237 Q N 0.147 119.901 119.800 -0.077 0.000 2.256 237 Q HA 0.657 4.997 4.340 0.000 0.000 0.254 237 Q C -0.436 175.330 176.000 -0.390 0.000 0.916 237 Q CA -0.870 54.794 55.803 -0.232 0.000 0.932 237 Q CB 1.077 29.677 28.738 -0.230 0.000 1.207 237 Q HN 0.393 nan 8.270 nan 0.000 0.426 238 L N 4.647 125.545 121.223 -0.541 0.000 2.295 238 L HA 0.560 4.900 4.340 0.000 0.000 0.285 238 L C -1.769 174.787 176.870 -0.523 0.000 1.035 238 L CA 0.183 54.698 54.840 -0.542 0.000 0.806 238 L CB 0.678 42.287 42.059 -0.751 0.000 1.214 238 L HN 0.567 nan 8.230 nan 0.000 0.426 239 F N 1.955 121.917 119.950 0.021 0.000 2.577 239 F HA 0.780 5.307 4.527 0.000 0.000 0.318 239 F C 0.168 176.127 175.800 0.266 0.000 1.065 239 F CA -0.388 57.736 58.000 0.206 0.000 0.929 239 F CB 2.508 41.808 39.000 0.499 0.000 1.237 239 F HN 0.562 nan 8.300 nan 0.000 0.468 240 T N 0.005 114.728 114.554 0.281 0.000 2.916 240 T HA 0.798 5.148 4.350 0.000 0.000 0.305 240 T C -1.139 173.370 174.700 -0.319 0.000 1.119 240 T CA -0.919 61.225 62.100 0.072 0.000 1.008 240 T CB 2.364 71.245 68.868 0.021 0.000 1.129 240 T HN 0.828 nan 8.240 nan 0.000 0.480 241 R N 1.360 121.533 120.500 -0.545 0.000 2.560 241 R HA 0.341 4.681 4.340 0.000 0.000 0.267 241 R C -1.461 174.630 176.300 -0.349 0.000 1.150 241 R CA -0.589 55.119 56.100 -0.654 0.000 0.997 241 R CB 1.790 31.308 30.300 -1.304 0.000 1.250 241 R HN 0.747 nan 8.270 nan 0.000 0.433 242 Q N 2.649 122.334 119.800 -0.191 0.000 2.255 242 Q HA 0.078 4.418 4.340 0.000 0.000 0.280 242 Q C -0.705 175.255 176.000 -0.067 0.000 1.068 242 Q CA 0.582 56.332 55.803 -0.087 0.000 0.911 242 Q CB 0.615 29.316 28.738 -0.062 0.000 1.157 242 Q HN 0.703 nan 8.270 nan 0.000 0.380 243 C N 3.724 123.017 119.300 -0.012 0.000 3.115 243 C HA 0.782 5.242 4.460 0.000 0.000 0.277 243 C C 0.212 175.216 174.990 0.023 0.000 1.460 243 C CA -0.125 58.901 59.018 0.013 0.000 1.789 243 C CB -1.008 26.759 27.740 0.045 0.000 2.674 243 C HN 0.798 nan 8.230 nan 0.000 0.582 244 A N 0.404 123.235 122.820 0.018 0.000 2.355 244 A HA 0.597 4.917 4.320 0.000 0.000 0.324 244 A C 0.363 177.955 177.584 0.012 0.000 1.117 244 A CA -0.137 51.914 52.037 0.023 0.000 0.785 244 A CB 0.889 19.901 19.000 0.021 0.000 1.254 244 A HN 0.208 nan 8.150 nan 0.000 0.453 245 D N 0.527 120.936 120.400 0.016 0.000 2.123 245 D HA -0.044 4.596 4.640 0.000 0.000 0.200 245 D C -0.082 176.220 176.300 0.005 0.000 0.976 245 D CA 1.723 55.729 54.000 0.010 0.000 0.831 245 D CB 0.083 40.892 40.800 0.015 0.000 0.974 245 D HN 0.632 nan 8.370 nan 0.000 0.469 246 N N 0.674 119.376 118.700 0.004 0.000 2.750 246 N HA 0.187 4.927 4.740 0.000 0.000 0.253 246 N C -2.665 172.839 175.510 -0.010 0.000 1.408 246 N CA -0.848 52.200 53.050 -0.003 0.000 0.780 246 N CB 2.226 40.712 38.487 -0.000 0.000 1.191 246 N HN -0.039 nan 8.380 nan 0.000 0.511 247 P HA 0.083 nan 4.420 nan 0.000 0.268 247 P C -0.709 176.574 177.300 -0.029 0.000 1.204 247 P CA 0.018 63.105 63.100 -0.022 0.000 0.768 247 P CB 1.576 33.266 31.700 -0.018 0.000 0.842 248 V N 2.155 122.045 119.914 -0.040 0.000 3.120 248 V HA 0.286 4.407 4.120 0.000 0.000 0.303 248 V C -0.722 175.338 176.094 -0.057 0.000 1.238 248 V CA -0.585 61.688 62.300 -0.046 0.000 1.008 248 V CB 2.664 34.461 31.823 -0.045 0.000 1.064 248 V HN 0.499 nan 8.190 nan 0.000 0.434 249 S N 4.350 120.012 115.700 -0.064 0.000 2.399 249 S HA 0.457 4.928 4.470 0.000 0.000 0.301 249 S C 0.030 174.570 174.600 -0.100 0.000 1.093 249 S CA -0.285 57.873 58.200 -0.070 0.000 1.077 249 S CB -0.224 62.936 63.200 -0.068 0.000 0.980 249 S HN 0.733 nan 8.310 nan 0.000 0.494 250 N N 3.587 122.245 118.700 -0.070 0.000 2.644 250 N HA 0.174 4.914 4.740 0.000 0.000 0.313 250 N C -2.804 172.731 175.510 0.042 0.000 1.863 250 N CA -1.325 51.697 53.050 -0.046 0.000 0.918 250 N CB 1.095 39.550 38.487 -0.054 0.000 1.320 250 N HN 0.400 nan 8.380 nan 0.000 0.490 251 P HA -0.104 nan 4.420 nan 0.000 0.266 251 P C 0.342 177.872 177.300 0.384 0.000 1.193 251 P CA -0.032 63.216 63.100 0.246 0.000 0.770 251 P CB 0.923 32.850 31.700 0.379 0.000 0.836 252 C N 4.345 123.780 119.300 0.227 0.000 2.633 252 C HA 0.004 4.464 4.460 0.000 0.000 0.415 252 C C 2.140 177.315 174.990 0.308 0.000 1.393 252 C CA -0.200 58.946 59.018 0.214 0.000 1.700 252 C CB -1.840 25.953 27.740 0.089 0.000 2.541 252 C HN 0.606 nan 8.230 nan 0.000 0.603 253 L N 5.338 126.755 121.223 0.323 0.000 2.109 253 L HA 0.117 4.457 4.340 0.000 0.000 0.207 253 L C 1.762 178.829 176.870 0.328 0.000 1.086 253 L CA 1.689 56.674 54.840 0.240 0.000 0.760 253 L CB -0.908 41.245 42.059 0.157 0.000 0.910 253 L HN 0.825 nan 8.230 nan 0.000 0.437 254 F N 0.022 120.093 119.950 0.202 0.000 2.408 254 F HA -0.146 4.381 4.527 0.000 0.000 0.300 254 F C 2.303 178.208 175.800 0.177 0.000 1.090 254 F CA 1.023 59.146 58.000 0.205 0.000 1.427 254 F CB 0.053 39.139 39.000 0.143 0.000 1.070 254 F HN 0.176 nan 8.300 nan 0.000 0.549 255 E N -0.693 119.597 120.200 0.150 0.000 2.072 255 E HA -0.215 4.135 4.350 0.000 0.000 0.191 255 E C 2.052 178.561 176.600 -0.151 0.000 0.985 255 E CA 1.384 57.767 56.400 -0.028 0.000 0.801 255 E CB -0.579 28.943 29.700 -0.297 0.000 0.750 255 E HN 0.492 nan 8.360 nan 0.000 0.452 256 Y N 0.258 120.563 120.300 0.009 0.000 2.263 256 Y HA -0.116 4.434 4.550 0.000 0.000 0.292 256 Y C 2.489 178.328 175.900 -0.103 0.000 1.130 256 Y CA 0.496 58.559 58.100 -0.062 0.000 1.179 256 Y CB -0.570 37.821 38.460 -0.115 0.000 0.998 256 Y HN -0.157 nan 8.280 nan 0.000 0.532 257 V N -1.712 118.208 119.914 0.010 0.000 2.427 257 V HA -0.244 3.876 4.120 0.000 0.000 0.248 257 V C 1.363 177.358 176.094 -0.166 0.000 1.051 257 V CA 2.354 64.584 62.300 -0.116 0.000 1.048 257 V CB -0.353 31.354 31.823 -0.193 0.000 0.666 257 V HN 0.567 nan 8.190 nan 0.000 0.456 258 Y N -3.175 116.865 120.300 -0.434 0.000 3.299 258 Y HA 0.117 4.667 4.550 0.000 0.000 0.195 258 Y C 1.689 177.493 175.900 -0.160 0.000 0.972 258 Y CA -0.196 57.693 58.100 -0.351 0.000 1.633 258 Y CB -0.232 37.874 38.460 -0.589 0.000 1.465 258 Y HN 0.039 nan 8.280 nan 0.000 0.367 259 F N 2.360 122.298 119.950 -0.019 0.000 2.141 259 F HA -0.089 4.439 4.527 0.000 0.000 0.300 259 F C 1.361 177.146 175.800 -0.026 0.000 1.079 259 F CA 1.548 59.580 58.000 0.052 0.000 1.264 259 F CB -0.638 38.482 39.000 0.201 0.000 1.011 259 F HN 0.144 nan 8.300 nan 0.000 0.487 260 A N -0.251 122.643 122.820 0.122 0.000 2.256 260 A HA 0.537 4.857 4.320 0.000 0.000 0.318 260 A C 0.259 177.768 177.584 -0.125 0.000 1.103 260 A CA -0.647 51.439 52.037 0.083 0.000 0.860 260 A CB 0.467 19.462 19.000 -0.007 0.000 1.182 260 A HN 0.199 nan 8.150 nan 0.000 0.501 261 R N 0.689 121.085 120.500 -0.172 0.000 2.490 261 R HA 0.240 4.580 4.340 0.000 0.000 0.278 261 R C -1.529 174.642 176.300 -0.214 0.000 1.069 261 R CA -1.511 54.394 56.100 -0.326 0.000 1.080 261 R CB 0.738 30.819 30.300 -0.365 0.000 1.030 261 R HN 0.564 nan 8.270 nan 0.000 0.491 262 P HA -0.160 nan 4.420 nan 0.000 0.220 262 P C -0.051 177.123 177.300 -0.210 0.000 1.148 262 P CA 1.313 64.313 63.100 -0.167 0.000 0.803 262 P CB 0.212 31.803 31.700 -0.180 0.000 0.782 263 D N -1.217 119.052 120.400 -0.218 0.000 2.328 263 D HA 0.048 4.689 4.640 0.000 0.000 0.221 263 D C 0.216 176.369 176.300 -0.244 0.000 1.072 263 D CA -0.016 53.858 54.000 -0.210 0.000 0.850 263 D CB -0.272 40.462 40.800 -0.109 0.000 0.922 263 D HN 0.006 nan 8.370 nan 0.000 0.516 264 S N -0.057 115.484 115.700 -0.264 0.000 2.585 264 S HA 0.441 4.911 4.470 0.000 0.000 0.277 264 S C -0.563 173.799 174.600 -0.397 0.000 1.241 264 S CA -0.575 57.521 58.200 -0.174 0.000 1.041 264 S CB 0.624 63.791 63.200 -0.056 0.000 0.987 264 S HN 0.072 nan 8.310 nan 0.000 0.512 265 F N 2.281 122.216 119.950 -0.026 0.000 2.311 265 F HA 0.463 4.990 4.527 0.000 0.000 0.371 265 F C 0.001 175.833 175.800 0.054 0.000 1.083 265 F CA -0.529 57.459 58.000 -0.020 0.000 1.113 265 F CB 0.328 39.219 39.000 -0.180 0.000 1.349 265 F HN 0.319 nan 8.300 nan 0.000 0.470 266 I N 3.927 124.626 120.570 0.214 0.000 2.304 266 I HA 0.163 4.333 4.170 0.000 0.000 0.291 266 I C -0.121 176.194 176.117 0.330 0.000 1.018 266 I CA -0.340 61.087 61.300 0.213 0.000 1.260 266 I CB 0.734 38.737 38.000 0.005 0.000 1.390 266 I HN 0.522 nan 8.210 nan 0.000 0.475 267 D N 5.926 126.492 120.400 0.277 0.000 2.699 267 D HA -0.204 4.436 4.640 0.000 0.000 0.239 267 D C 0.676 177.111 176.300 0.224 0.000 1.136 267 D CA 0.884 55.031 54.000 0.244 0.000 0.668 267 D CB -0.566 40.380 40.800 0.242 0.000 1.060 267 D HN 0.801 nan 8.370 nan 0.000 0.429 268 K N -2.224 118.317 120.400 0.234 0.000 3.547 268 K HA -0.226 4.094 4.320 0.000 0.000 0.309 268 K C 0.456 177.189 176.600 0.221 0.000 1.324 268 K CA 1.224 57.623 56.287 0.187 0.000 0.988 268 K CB -0.975 31.601 32.500 0.127 0.000 1.261 268 K HN 0.457 nan 8.250 nan 0.000 0.444 269 I N 1.161 121.889 120.570 0.263 0.000 2.385 269 I HA 0.097 4.267 4.170 0.000 0.000 0.294 269 I C 0.602 176.849 176.117 0.217 0.000 0.988 269 I CA -0.544 60.886 61.300 0.217 0.000 1.265 269 I CB 1.744 39.836 38.000 0.153 0.000 1.388 269 I HN 0.022 nan 8.210 nan 0.000 0.480 270 S N 4.840 120.601 115.700 0.102 0.000 2.465 270 S HA 0.217 4.687 4.470 0.000 0.000 0.279 270 S C 1.015 175.534 174.600 -0.136 0.000 1.201 270 S CA -0.748 57.280 58.200 -0.287 0.000 1.053 270 S CB 1.223 64.345 63.200 -0.129 0.000 0.953 270 S HN 0.430 nan 8.310 nan 0.000 0.488 271 V N 5.945 125.757 119.914 -0.170 0.000 2.343 271 V HA -0.126 3.994 4.120 0.000 0.000 0.247 271 V C 1.931 178.037 176.094 0.021 0.000 1.051 271 V CA 2.075 64.376 62.300 0.003 0.000 1.036 271 V CB -1.305 30.489 31.823 -0.049 0.000 0.654 271 V HN 0.981 nan 8.190 nan 0.000 0.451 272 Y N 2.010 122.205 120.300 -0.175 0.000 2.036 272 Y HA -0.288 4.262 4.550 0.000 0.000 0.273 272 Y C 2.803 178.647 175.900 -0.094 0.000 1.135 272 Y CA 1.752 59.773 58.100 -0.132 0.000 1.106 272 Y CB -1.047 37.329 38.460 -0.140 0.000 0.976 272 Y HN 0.239 nan 8.280 nan 0.000 0.483 273 S N 0.854 116.402 115.700 -0.252 0.000 2.380 273 S HA -0.283 4.188 4.470 0.000 0.000 0.229 273 S C 2.296 176.778 174.600 -0.198 0.000 1.043 273 S CA 1.470 59.470 58.200 -0.333 0.000 1.038 273 S CB -1.071 62.014 63.200 -0.192 0.000 0.872 273 S HN 0.676 nan 8.310 nan 0.000 0.456 274 A N 1.561 124.311 122.820 -0.116 0.000 1.908 274 A HA -0.138 4.182 4.320 0.000 0.000 0.218 274 A C 2.163 179.684 177.584 -0.105 0.000 1.181 274 A CA 1.808 53.775 52.037 -0.115 0.000 0.627 274 A CB -0.538 18.399 19.000 -0.105 0.000 0.818 274 A HN 0.354 nan 8.150 nan 0.000 0.445 275 R N -0.671 119.788 120.500 -0.067 0.000 2.080 275 R HA -0.097 4.243 4.340 0.000 0.000 0.236 275 R C 2.064 178.318 176.300 -0.077 0.000 1.137 275 R CA 1.711 57.785 56.100 -0.044 0.000 0.943 275 R CB -0.775 29.535 30.300 0.018 0.000 0.846 275 R HN 0.333 nan 8.270 nan 0.000 0.431 276 V N 1.630 121.460 119.914 -0.141 0.000 2.252 276 V HA -0.339 3.781 4.120 0.000 0.000 0.249 276 V C 1.731 177.745 176.094 -0.132 0.000 1.056 276 V CA 2.177 64.377 62.300 -0.166 0.000 1.022 276 V CB -0.674 30.965 31.823 -0.305 0.000 0.641 276 V HN 0.412 nan 8.190 nan 0.000 0.445 277 N N 0.087 118.703 118.700 -0.141 0.000 2.094 277 N HA -0.216 4.525 4.740 0.000 0.000 0.191 277 N C 1.744 177.195 175.510 -0.098 0.000 1.023 277 N CA 1.875 54.856 53.050 -0.114 0.000 0.857 277 N CB -0.502 37.917 38.487 -0.114 0.000 1.013 277 N HN 0.483 nan 8.380 nan 0.000 0.426 278 M N -0.101 119.441 119.600 -0.096 0.000 2.149 278 M HA -0.069 4.411 4.480 0.000 0.000 0.261 278 M C 2.246 178.502 176.300 -0.074 0.000 1.064 278 M CA 1.670 56.918 55.300 -0.086 0.000 1.102 278 M CB -0.614 31.939 32.600 -0.078 0.000 1.369 278 M HN 0.207 nan 8.290 nan 0.000 0.408 279 G N 0.095 108.854 108.800 -0.067 0.000 2.414 279 G HA2 -0.183 3.777 3.960 0.000 0.000 0.215 279 G HA3 -0.183 3.777 3.960 0.000 0.000 0.215 279 G C 1.427 176.289 174.900 -0.063 0.000 1.188 279 G CA 1.434 46.500 45.100 -0.057 0.000 0.783 279 G HN 0.388 nan 8.290 nan 0.000 0.537 280 T N 1.554 116.066 114.554 -0.070 0.000 2.570 280 T HA -0.170 4.181 4.350 0.000 0.000 0.266 280 T C 2.330 176.992 174.700 -0.064 0.000 1.071 280 T CA 1.575 63.635 62.100 -0.066 0.000 1.172 280 T CB -0.223 68.602 68.868 -0.071 0.000 0.864 280 T HN 0.158 nan 8.240 nan 0.000 0.421 281 K N 0.681 121.039 120.400 -0.070 0.000 2.020 281 K HA -0.065 4.255 4.320 0.000 0.000 0.212 281 K C 2.300 178.854 176.600 -0.077 0.000 1.050 281 K CA 1.018 57.262 56.287 -0.071 0.000 0.929 281 K CB -0.904 31.550 32.500 -0.076 0.000 0.714 281 K HN 0.218 nan 8.250 nan 0.000 0.443 282 L N 0.992 122.166 121.223 -0.082 0.000 2.131 282 L HA -0.052 4.288 4.340 0.000 0.000 0.210 282 L C 2.095 178.905 176.870 -0.100 0.000 1.092 282 L CA 1.908 56.689 54.840 -0.098 0.000 0.759 282 L CB -0.955 41.050 42.059 -0.090 0.000 0.903 282 L HN 0.220 nan 8.230 nan 0.000 0.435 283 G N -1.066 107.690 108.800 -0.073 0.000 2.414 283 G HA2 -0.235 3.726 3.960 0.000 0.000 0.215 283 G HA3 -0.235 3.726 3.960 0.000 0.000 0.215 283 G C 1.416 176.279 174.900 -0.061 0.000 1.188 283 G CA 0.672 45.737 45.100 -0.058 0.000 0.783 283 G HN 0.505 nan 8.290 nan 0.000 0.537 284 E N 0.187 120.352 120.200 -0.059 0.000 2.118 284 E HA -0.170 4.180 4.350 0.000 0.000 0.195 284 E C 2.329 178.890 176.600 -0.066 0.000 0.992 284 E CA 1.198 57.566 56.400 -0.052 0.000 0.804 284 E CB -0.094 29.577 29.700 -0.048 0.000 0.741 284 E HN 0.504 nan 8.360 nan 0.000 0.458 285 K N 0.989 121.333 120.400 -0.092 0.000 2.097 285 K HA -0.120 4.200 4.320 0.000 0.000 0.205 285 K C 2.018 178.514 176.600 -0.173 0.000 1.050 285 K CA 0.880 57.094 56.287 -0.120 0.000 0.938 285 K CB 0.007 32.426 32.500 -0.135 0.000 0.718 285 K HN 0.065 nan 8.250 nan 0.000 0.442 286 I N 0.902 121.355 120.570 -0.194 0.000 2.252 286 I HA -0.213 3.957 4.170 0.000 0.000 0.245 286 I C 2.393 178.482 176.117 -0.046 0.000 1.102 286 I CA 1.051 62.212 61.300 -0.230 0.000 1.385 286 I CB -0.244 37.655 38.000 -0.168 0.000 1.064 286 I HN 0.270 nan 8.210 nan 0.000 0.414 287 A N 0.669 123.473 122.820 -0.027 0.000 1.933 287 A HA -0.181 4.139 4.320 0.000 0.000 0.218 287 A C 2.365 179.959 177.584 0.018 0.000 1.175 287 A CA 1.345 53.388 52.037 0.010 0.000 0.628 287 A CB -0.420 18.578 19.000 -0.004 0.000 0.814 287 A HN 0.299 nan 8.150 nan 0.000 0.444 288 R N -0.493 120.003 120.500 -0.007 0.000 2.065 288 R HA -0.052 4.289 4.340 0.000 0.000 0.224 288 R C 1.970 178.290 176.300 0.033 0.000 1.161 288 R CA 1.484 57.587 56.100 0.004 0.000 0.923 288 R CB -0.502 29.789 30.300 -0.015 0.000 0.822 288 R HN 0.589 nan 8.270 nan 0.000 0.437 289 E N -0.734 119.471 120.200 0.008 0.000 2.472 289 E HA -0.177 4.173 4.350 0.000 0.000 0.200 289 E C 0.993 177.754 176.600 0.268 0.000 1.046 289 E CA 0.640 57.077 56.400 0.062 0.000 0.871 289 E CB 0.106 29.795 29.700 -0.019 0.000 0.806 289 E HN 0.417 nan 8.360 nan 0.000 0.533 290 W N 0.617 121.899 121.300 -0.030 0.000 2.865 290 W HA 0.116 4.777 4.660 0.000 0.000 0.300 290 W C 1.488 177.970 176.519 -0.063 0.000 1.096 290 W CA -0.054 57.258 57.345 -0.055 0.000 1.524 290 W CB 0.035 29.441 29.460 -0.090 0.000 0.991 290 W HN 0.115 nan 8.180 nan 0.000 0.571 291 E N -0.028 120.269 120.200 0.163 0.000 2.628 291 E HA -0.367 3.983 4.350 0.000 0.000 0.255 291 E C 0.788 177.404 176.600 0.028 0.000 1.118 291 E CA 2.465 58.908 56.400 0.073 0.000 1.303 291 E CB -1.244 28.485 29.700 0.049 0.000 1.142 291 E HN 0.107 nan 8.360 nan 0.000 0.450 292 D N 0.561 120.968 120.400 0.011 0.000 2.395 292 D HA 0.126 4.766 4.640 0.000 0.000 0.250 292 D C -0.243 175.999 176.300 -0.096 0.000 1.203 292 D CA 0.325 54.306 54.000 -0.032 0.000 0.872 292 D CB -0.022 40.764 40.800 -0.024 0.000 0.941 292 D HN 0.232 nan 8.370 nan 0.000 0.504 293 L N 0.616 121.758 121.223 -0.134 0.000 2.329 293 L HA 0.266 4.607 4.340 0.000 0.000 0.279 293 L C -0.072 176.678 176.870 -0.200 0.000 1.014 293 L CA -0.835 53.838 54.840 -0.280 0.000 0.814 293 L CB 2.061 43.760 42.059 -0.600 0.000 1.257 293 L HN -0.244 nan 8.230 nan 0.000 0.424 294 D N 4.236 124.532 120.400 -0.173 0.000 2.329 294 D HA 0.526 5.166 4.640 0.000 0.000 0.232 294 D C -0.750 175.529 176.300 -0.035 0.000 1.088 294 D CA -0.189 53.768 54.000 -0.072 0.000 0.835 294 D CB 0.818 41.604 40.800 -0.022 0.000 1.078 294 D HN 0.376 nan 8.370 nan 0.000 0.495 295 I N -0.212 120.348 120.570 -0.017 0.000 2.934 295 I HA 0.553 4.723 4.170 0.000 0.000 0.306 295 I C -0.385 175.753 176.117 0.034 0.000 1.110 295 I CA -0.736 60.591 61.300 0.045 0.000 1.019 295 I CB 2.593 40.622 38.000 0.049 0.000 1.227 295 I HN 0.008 nan 8.210 nan 0.000 0.434 296 D N 2.160 122.583 120.400 0.039 0.000 2.423 296 D HA 0.253 4.893 4.640 0.000 0.000 0.208 296 D C 0.005 176.304 176.300 -0.002 0.000 1.068 296 D CA 0.783 54.790 54.000 0.012 0.000 0.860 296 D CB 1.978 42.779 40.800 0.003 0.000 0.992 296 D HN 0.314 nan 8.370 nan 0.000 0.504 297 V N 0.413 120.328 119.914 0.002 0.000 3.225 297 V HA 0.269 4.389 4.120 0.000 0.000 0.293 297 V C -1.794 174.304 176.094 0.006 0.000 1.405 297 V CA -0.744 61.545 62.300 -0.019 0.000 1.038 297 V CB 2.464 34.229 31.823 -0.096 0.000 1.123 297 V HN -0.249 nan 8.190 nan 0.000 0.447 298 V N 6.046 125.975 119.914 0.024 0.000 2.398 298 V HA 0.599 4.719 4.120 0.000 0.000 0.286 298 V C -0.212 175.877 176.094 -0.009 0.000 1.026 298 V CA -0.309 62.032 62.300 0.068 0.000 0.868 298 V CB 1.431 33.341 31.823 0.144 0.000 0.982 298 V HN 0.639 nan 8.190 nan 0.000 0.443 299 I N 7.670 128.240 120.570 -0.000 0.000 2.447 299 I HA 0.415 4.585 4.170 0.000 0.000 0.287 299 I C -2.347 173.826 176.117 0.093 0.000 1.023 299 I CA -1.932 59.333 61.300 -0.059 0.000 1.083 299 I CB 2.969 40.907 38.000 -0.103 0.000 1.245 299 I HN 0.452 nan 8.210 nan 0.000 0.434 300 P HA 0.298 nan 4.420 nan 0.000 0.276 300 P C -0.716 176.697 177.300 0.189 0.000 1.244 300 P CA -0.251 62.944 63.100 0.159 0.000 0.801 300 P CB 1.461 33.283 31.700 0.202 0.000 1.006 301 I N 2.690 123.330 120.570 0.117 0.000 2.347 301 I HA 0.234 4.404 4.170 0.000 0.000 0.283 301 I C -2.147 173.990 176.117 0.035 0.000 1.058 301 I CA -2.678 58.638 61.300 0.026 0.000 1.202 301 I CB 1.090 39.052 38.000 -0.063 0.000 1.386 301 I HN 0.082 nan 8.210 nan 0.000 0.475 302 P HA -0.018 nan 4.420 nan 0.000 0.266 302 P C 0.124 177.437 177.300 0.022 0.000 1.186 302 P CA 0.368 63.494 63.100 0.043 0.000 0.767 302 P CB 0.856 32.587 31.700 0.052 0.000 0.820 303 E N 0.298 120.504 120.200 0.009 0.000 2.244 303 E HA -0.051 4.299 4.350 0.000 0.000 0.196 303 E C 1.554 178.146 176.600 -0.012 0.000 0.939 303 E CA 0.610 57.005 56.400 -0.010 0.000 0.884 303 E CB -0.368 29.298 29.700 -0.056 0.000 0.850 303 E HN 0.459 nan 8.360 nan 0.000 0.481 304 T N 1.432 115.972 114.554 -0.024 0.000 2.594 304 T HA -0.214 4.136 4.350 0.000 0.000 0.266 304 T C 1.959 176.667 174.700 0.013 0.000 1.070 304 T CA 1.858 63.941 62.100 -0.029 0.000 1.166 304 T CB -0.415 68.467 68.868 0.023 0.000 0.862 304 T HN 0.019 nan 8.240 nan 0.000 0.436 305 S N 0.338 116.064 115.700 0.044 0.000 2.603 305 S HA -0.001 4.470 4.470 0.000 0.000 0.229 305 S C 2.203 176.859 174.600 0.093 0.000 0.972 305 S CA 0.050 58.286 58.200 0.061 0.000 0.935 305 S CB -0.841 62.399 63.200 0.067 0.000 0.769 305 S HN 0.556 nan 8.310 nan 0.000 0.536 306 C N 2.041 121.397 119.300 0.094 0.000 2.413 306 C HA -0.103 4.358 4.460 0.000 0.000 0.276 306 C C 2.427 177.481 174.990 0.107 0.000 1.236 306 C CA 0.570 59.679 59.018 0.153 0.000 1.735 306 C CB -0.871 26.942 27.740 0.121 0.000 2.031 306 C HN 0.603 nan 8.230 nan 0.000 0.474 307 D N 0.166 120.598 120.400 0.054 0.000 2.249 307 D HA 0.056 4.696 4.640 0.000 0.000 0.205 307 D C 1.986 178.283 176.300 -0.004 0.000 0.962 307 D CA 0.728 54.743 54.000 0.024 0.000 0.860 307 D CB -0.134 40.764 40.800 0.164 0.000 0.955 307 D HN 0.495 nan 8.370 nan 0.000 0.505 308 I N 1.515 122.098 120.570 0.022 0.000 2.179 308 I HA -0.233 3.937 4.170 0.000 0.000 0.242 308 I C 2.592 178.714 176.117 0.008 0.000 1.088 308 I CA 0.889 62.190 61.300 0.003 0.000 1.357 308 I CB -0.176 37.831 38.000 0.012 0.000 1.051 308 I HN -0.095 nan 8.210 nan 0.000 0.409 309 A N 0.623 123.481 122.820 0.062 0.000 1.930 309 A HA -0.197 4.123 4.320 0.000 0.000 0.217 309 A C 2.230 179.851 177.584 0.060 0.000 1.175 309 A CA 1.252 53.362 52.037 0.123 0.000 0.627 309 A CB -0.708 18.452 19.000 0.266 0.000 0.815 309 A HN 0.377 nan 8.150 nan 0.000 0.443 310 L N 0.077 121.206 121.223 -0.156 0.000 2.042 310 L HA -0.170 4.170 4.340 0.000 0.000 0.210 310 L C 2.223 178.978 176.870 -0.192 0.000 1.076 310 L CA 2.818 57.384 54.840 -0.456 0.000 0.749 310 L CB -0.648 41.060 42.059 -0.585 0.000 0.893 310 L HN 0.516 nan 8.230 nan 0.000 0.432 311 E N -0.171 119.959 120.200 -0.117 0.000 2.072 311 E HA -0.169 4.182 4.350 0.000 0.000 0.190 311 E C 2.132 178.702 176.600 -0.049 0.000 0.982 311 E CA 1.630 57.982 56.400 -0.081 0.000 0.803 311 E CB -0.377 29.277 29.700 -0.077 0.000 0.755 311 E HN 0.598 nan 8.360 nan 0.000 0.453 312 I N 0.526 121.080 120.570 -0.026 0.000 2.423 312 I HA -0.276 3.895 4.170 0.000 0.000 0.254 312 I C 2.262 178.387 176.117 0.014 0.000 1.151 312 I CA 1.005 62.302 61.300 -0.005 0.000 1.421 312 I CB -0.413 37.595 38.000 0.014 0.000 1.079 312 I HN 0.213 nan 8.210 nan 0.000 0.431 313 A N 0.569 123.404 122.820 0.025 0.000 1.897 313 A HA -0.155 4.166 4.320 0.000 0.000 0.215 313 A C 2.462 180.053 177.584 0.012 0.000 1.181 313 A CA 0.959 53.024 52.037 0.046 0.000 0.620 313 A CB -0.486 18.571 19.000 0.096 0.000 0.821 313 A HN 0.236 nan 8.150 nan 0.000 0.443 314 R N -0.396 120.093 120.500 -0.018 0.000 2.097 314 R HA -0.162 4.178 4.340 0.000 0.000 0.236 314 R C 1.977 178.267 176.300 -0.017 0.000 1.135 314 R CA 1.946 58.031 56.100 -0.025 0.000 0.934 314 R CB -0.469 29.804 30.300 -0.045 0.000 0.846 314 R HN 0.448 nan 8.270 nan 0.000 0.431 315 I N 1.254 121.811 120.570 -0.021 0.000 2.151 315 I HA -0.281 3.889 4.170 0.000 0.000 0.243 315 I C 2.216 178.328 176.117 -0.008 0.000 1.080 315 I CA 1.486 62.775 61.300 -0.019 0.000 1.339 315 I CB -1.025 36.959 38.000 -0.027 0.000 1.039 315 I HN 0.275 nan 8.210 nan 0.000 0.409 316 L N 0.258 121.481 121.223 0.001 0.000 2.599 316 L HA 0.137 4.477 4.340 0.000 0.000 0.230 316 L C 1.500 178.377 176.870 0.012 0.000 1.141 316 L CA 0.509 55.356 54.840 0.011 0.000 0.877 316 L CB -0.760 41.313 42.059 0.024 0.000 1.009 316 L HN 0.482 nan 8.230 nan 0.000 0.447 317 G N 0.775 109.579 108.800 0.008 0.000 2.283 317 G HA2 -0.263 3.697 3.960 0.000 0.000 0.280 317 G HA3 -0.263 3.697 3.960 0.000 0.000 0.280 317 G C 0.213 175.123 174.900 0.015 0.000 1.029 317 G CA 0.329 45.434 45.100 0.008 0.000 0.840 317 G HN 0.207 nan 8.290 nan 0.000 0.505 318 K N 0.249 120.664 120.400 0.025 0.000 2.208 318 K HA 0.538 4.858 4.320 0.000 0.000 0.247 318 K C -2.107 174.521 176.600 0.046 0.000 0.953 318 K CA -2.049 54.256 56.287 0.031 0.000 0.837 318 K CB 2.031 34.553 32.500 0.036 0.000 1.131 318 K HN 0.102 nan 8.250 nan 0.000 0.431 319 P HA 0.074 nan 4.420 nan 0.000 0.274 319 P C -1.084 176.274 177.300 0.097 0.000 1.231 319 P CA -0.147 62.987 63.100 0.057 0.000 0.790 319 P CB 0.419 32.131 31.700 0.021 0.000 0.951 320 Y N 2.545 122.833 120.300 -0.021 0.000 2.328 320 Y HA 0.607 5.157 4.550 0.000 0.000 0.337 320 Y C -0.353 175.526 175.900 -0.036 0.000 0.966 320 Y CA -0.909 57.178 58.100 -0.022 0.000 1.136 320 Y CB 1.379 39.834 38.460 -0.009 0.000 1.170 320 Y HN 0.283 nan 8.280 nan 0.000 0.470 321 R N 2.931 123.131 120.500 -0.500 0.000 2.725 321 R HA 0.370 4.710 4.340 0.000 0.000 0.277 321 R C -1.333 174.613 176.300 -0.591 0.000 0.987 321 R CA -0.705 55.123 56.100 -0.454 0.000 0.901 321 R CB 1.618 31.749 30.300 -0.281 0.000 1.207 321 R HN 0.640 nan 8.270 nan 0.000 0.463 322 Q N 1.702 121.257 119.800 -0.407 0.000 2.553 322 Q HA 0.196 4.536 4.340 0.000 0.000 0.221 322 Q C 0.463 176.341 176.000 -0.203 0.000 1.219 322 Q CA 0.118 55.758 55.803 -0.272 0.000 0.955 322 Q CB 1.362 30.020 28.738 -0.133 0.000 1.399 322 Q HN 0.956 nan 8.270 nan 0.000 0.551 323 G N 1.286 109.920 108.800 -0.277 0.000 2.712 323 G HA2 0.008 3.968 3.960 0.000 0.000 0.212 323 G HA3 0.008 3.968 3.960 0.000 0.000 0.212 323 G C 0.078 174.869 174.900 -0.182 0.000 1.142 323 G CA 0.236 45.106 45.100 -0.384 0.000 0.789 323 G HN 0.305 nan 8.290 nan 0.000 0.535 324 F N -0.660 119.372 119.950 0.137 0.000 2.551 324 F HA 0.617 5.144 4.527 0.000 0.000 0.316 324 F C -0.459 175.377 175.800 0.061 0.000 1.089 324 F CA -1.129 56.950 58.000 0.132 0.000 0.915 324 F CB 2.612 41.687 39.000 0.124 0.000 1.186 324 F HN -0.259 nan 8.300 nan 0.000 0.456 325 V N 2.807 122.883 119.914 0.270 0.000 2.540 325 V HA 0.372 4.492 4.120 0.000 0.000 0.302 325 V C -0.405 175.764 176.094 0.125 0.000 1.035 325 V CA -1.250 61.139 62.300 0.149 0.000 0.873 325 V CB 1.942 33.825 31.823 0.099 0.000 0.992 325 V HN 0.613 nan 8.190 nan 0.000 0.428 326 K N 3.679 124.126 120.400 0.078 0.000 2.258 326 K HA 0.307 4.628 4.320 0.000 0.000 0.284 326 K C -0.101 176.517 176.600 0.030 0.000 1.051 326 K CA -0.579 55.733 56.287 0.042 0.000 0.923 326 K CB 0.501 33.009 32.500 0.014 0.000 1.046 326 K HN 0.656 nan 8.250 nan 0.000 0.474 327 N N 3.434 122.155 118.700 0.034 0.000 2.483 327 N HA -0.034 4.707 4.740 0.000 0.000 0.264 327 N C 0.746 176.249 175.510 -0.011 0.000 1.197 327 N CA 0.198 53.273 53.050 0.042 0.000 0.927 327 N CB 1.141 39.666 38.487 0.062 0.000 1.065 327 N HN 0.608 nan 8.380 nan 0.000 0.461 328 R N 2.220 122.687 120.500 -0.056 0.000 2.148 328 R HA -0.032 4.308 4.340 0.000 0.000 0.223 328 R C -0.420 175.616 176.300 -0.441 0.000 1.088 328 R CA 1.103 57.034 56.100 -0.283 0.000 0.985 328 R CB 0.207 30.241 30.300 -0.443 0.000 0.880 328 R HN 0.534 nan 8.270 nan 0.000 0.451 329 Y N -0.453 119.851 120.300 0.007 0.000 2.361 329 Y HA 0.447 4.997 4.550 0.000 0.000 0.337 329 Y C -0.532 175.370 175.900 0.004 0.000 0.965 329 Y CA -1.065 57.039 58.100 0.005 0.000 1.091 329 Y CB 2.123 40.589 38.460 0.011 0.000 1.182 329 Y HN -0.335 nan 8.280 nan 0.000 0.450 330 V N 2.099 122.087 119.914 0.123 0.000 2.864 330 V HA 0.936 5.056 4.120 0.000 0.000 0.314 330 V C 0.228 176.356 176.094 0.057 0.000 1.073 330 V CA -0.716 61.625 62.300 0.068 0.000 0.956 330 V CB 1.978 33.813 31.823 0.021 0.000 1.023 330 V HN 0.953 nan 8.190 nan 0.000 0.435 331 G N 1.278 110.095 108.800 0.028 0.000 3.013 331 G HA2 0.600 4.561 3.960 0.000 0.000 0.278 331 G HA3 0.600 4.561 3.960 0.000 0.000 0.278 331 G C -0.939 173.909 174.900 -0.086 0.000 1.353 331 G CA -0.933 44.169 45.100 0.003 0.000 1.043 331 G HN 0.617 nan 8.290 nan 0.000 0.523 332 R N -0.906 119.477 120.500 -0.194 0.000 2.641 332 R HA 0.405 4.745 4.340 0.000 0.000 0.269 332 R C -0.680 175.321 176.300 -0.499 0.000 1.074 332 R CA 0.072 55.905 56.100 -0.445 0.000 1.133 332 R CB 0.441 30.264 30.300 -0.795 0.000 1.029 332 R HN 0.365 nan 8.270 nan 0.000 0.488 333 T N 4.904 119.206 114.554 -0.421 0.000 2.821 333 T HA 0.302 4.653 4.350 0.000 0.000 0.307 333 T C -0.623 173.904 174.700 -0.287 0.000 1.034 333 T CA -0.349 61.617 62.100 -0.223 0.000 0.953 333 T CB 0.019 68.828 68.868 -0.098 0.000 0.968 333 T HN 0.278 nan 8.240 nan 0.000 0.462 334 F N 2.215 122.165 119.950 -0.000 0.000 2.440 334 F HA 0.366 4.893 4.527 0.000 0.000 0.323 334 F C 0.973 176.772 175.800 -0.001 0.000 1.192 334 F CA -1.260 56.739 58.000 -0.001 0.000 1.252 334 F CB 0.426 39.425 39.000 -0.001 0.000 1.214 334 F HN 0.279 nan 8.300 nan 0.000 0.578 335 I N 3.998 124.681 120.570 0.189 0.000 2.282 335 I HA 0.200 4.371 4.170 0.000 0.000 0.290 335 I C -0.425 175.751 176.117 0.099 0.000 1.090 335 I CA -0.379 60.983 61.300 0.102 0.000 1.231 335 I CB -0.426 37.612 38.000 0.064 0.000 1.434 335 I HN 0.384 nan 8.210 nan 0.000 0.487 336 M N 6.756 126.407 119.600 0.085 0.000 2.294 336 M HA 0.446 4.926 4.480 0.000 0.000 0.335 336 M C -1.411 174.910 176.300 0.035 0.000 1.079 336 M CA -1.481 53.851 55.300 0.055 0.000 0.982 336 M CB 1.030 33.661 32.600 0.052 0.000 1.651 336 M HN 0.358 nan 8.290 nan 0.000 0.437 345 S N 1.296 116.985 115.700 -0.019 0.000 2.593 345 S HA -0.058 4.412 4.470 0.000 0.000 0.300 345 S C 1.511 176.101 174.600 -0.017 0.000 1.267 345 S CA 0.036 58.227 58.200 -0.015 0.000 1.065 345 S CB 1.301 64.496 63.200 -0.009 0.000 0.807 345 S HN 0.167 nan 8.310 nan 0.000 0.499 346 V N 4.907 124.807 119.914 -0.023 0.000 2.392 346 V HA -0.247 3.874 4.120 0.000 0.000 0.249 346 V C 2.603 178.685 176.094 -0.021 0.000 1.059 346 V CA 2.151 64.431 62.300 -0.033 0.000 1.051 346 V CB -0.778 31.013 31.823 -0.053 0.000 0.658 346 V HN 0.888 nan 8.190 nan 0.000 0.455 347 R N 0.241 120.737 120.500 -0.007 0.000 2.293 347 R HA -0.103 4.237 4.340 0.000 0.000 0.219 347 R C 1.945 178.255 176.300 0.017 0.000 1.091 347 R CA 0.922 57.029 56.100 0.012 0.000 1.004 347 R CB -0.473 29.835 30.300 0.013 0.000 0.865 347 R HN 0.351 nan 8.270 nan 0.000 0.469 348 R N 1.219 121.724 120.500 0.008 0.000 2.193 348 R HA 0.073 4.413 4.340 0.000 0.000 0.213 348 R C 1.343 177.652 176.300 0.016 0.000 1.055 348 R CA 0.957 57.065 56.100 0.013 0.000 0.995 348 R CB 0.118 30.419 30.300 0.002 0.000 0.893 348 R HN 0.371 nan 8.270 nan 0.000 0.459 349 K N -0.721 119.682 120.400 0.006 0.000 2.313 349 K HA 0.261 4.581 4.320 0.000 0.000 0.197 349 K C 0.596 177.203 176.600 0.011 0.000 1.061 349 K CA 0.345 56.633 56.287 0.003 0.000 0.980 349 K CB 0.745 33.237 32.500 -0.014 0.000 0.888 349 K HN -0.056 nan 8.250 nan 0.000 0.502 350 L N 0.876 122.107 121.223 0.013 0.000 2.370 350 L HA 0.376 4.717 4.340 0.000 0.000 0.266 350 L C -1.214 175.722 176.870 0.110 0.000 1.002 350 L CA -1.093 53.776 54.840 0.048 0.000 0.818 350 L CB 2.045 44.084 42.059 -0.033 0.000 1.325 350 L HN -0.028 nan 8.230 nan 0.000 0.418 351 N N 1.039 119.848 118.700 0.183 0.000 2.258 351 N HA 0.640 5.380 4.740 0.000 0.000 0.299 351 N C -1.066 174.591 175.510 0.244 0.000 1.047 351 N CA -0.322 52.829 53.050 0.169 0.000 0.814 351 N CB 2.221 40.768 38.487 0.099 0.000 1.413 351 N HN 0.666 nan 8.380 nan 0.000 0.478 352 A N 2.733 125.626 122.820 0.123 0.000 2.289 352 A HA 0.323 4.643 4.320 0.000 0.000 0.298 352 A C -0.030 177.522 177.584 -0.052 0.000 1.208 352 A CA -0.609 51.352 52.037 -0.127 0.000 0.845 352 A CB -0.190 18.529 19.000 -0.469 0.000 1.125 352 A HN 0.855 nan 8.150 nan 0.000 0.517 353 N N 2.131 120.861 118.700 0.049 0.000 2.739 353 N HA 0.082 4.822 4.740 0.000 0.000 0.266 353 N C 1.249 176.842 175.510 0.140 0.000 1.168 353 N CA -0.347 52.745 53.050 0.069 0.000 1.055 353 N CB -0.042 38.461 38.487 0.027 0.000 1.393 353 N HN 0.710 nan 8.380 nan 0.000 0.514 354 R N 1.543 122.086 120.500 0.072 0.000 2.227 354 R HA -0.337 4.003 4.340 0.000 0.000 0.259 354 R C 1.951 178.324 176.300 0.121 0.000 1.139 354 R CA 2.208 58.356 56.100 0.081 0.000 0.969 354 R CB -0.549 29.760 30.300 0.015 0.000 0.903 354 R HN 0.581 nan 8.270 nan 0.000 0.452 355 A N 1.021 123.875 122.820 0.056 0.000 1.978 355 A HA -0.172 4.148 4.320 0.000 0.000 0.220 355 A C 1.706 179.277 177.584 -0.022 0.000 1.170 355 A CA 1.489 53.535 52.037 0.015 0.000 0.636 355 A CB -0.232 18.762 19.000 -0.009 0.000 0.810 355 A HN 0.235 nan 8.150 nan 0.000 0.448 356 E N -1.251 118.905 120.200 -0.074 0.000 2.482 356 E HA -0.004 4.346 4.350 0.000 0.000 0.196 356 E C 0.853 177.161 176.600 -0.486 0.000 1.047 356 E CA 0.579 56.796 56.400 -0.306 0.000 0.869 356 E CB -0.232 29.176 29.700 -0.487 0.000 0.836 356 E HN 0.785 nan 8.360 nan 0.000 0.520 357 F N 0.034 119.911 119.950 -0.122 0.000 2.592 357 F HA 0.211 4.738 4.527 0.000 0.000 0.280 357 F C 1.215 176.975 175.800 -0.066 0.000 1.083 357 F CA -0.581 57.357 58.000 -0.104 0.000 1.365 357 F CB 0.048 38.969 39.000 -0.133 0.000 1.100 357 F HN -0.247 nan 8.300 nan 0.000 0.633 358 R N 2.501 123.079 120.500 0.129 0.000 2.526 358 R HA -0.147 4.194 4.340 0.000 0.000 0.319 358 R C -0.266 176.053 176.300 0.032 0.000 0.888 358 R CA 0.839 56.977 56.100 0.062 0.000 1.127 358 R CB -0.659 29.663 30.300 0.037 0.000 0.888 358 R HN 0.302 nan 8.270 nan 0.000 0.410 359 D N 2.473 122.892 120.400 0.031 0.000 2.708 359 D HA -0.199 4.441 4.640 0.000 0.000 0.236 359 D C -0.854 175.455 176.300 0.015 0.000 1.146 359 D CA 1.406 55.417 54.000 0.018 0.000 0.662 359 D CB -0.247 40.559 40.800 0.009 0.000 1.059 359 D HN 0.555 nan 8.370 nan 0.000 0.428 360 K N -0.025 120.389 120.400 0.024 0.000 2.443 360 K HA 0.386 4.706 4.320 0.000 0.000 0.251 360 K C -0.280 176.344 176.600 0.039 0.000 0.972 360 K CA -0.811 55.486 56.287 0.017 0.000 0.833 360 K CB 1.523 34.012 32.500 -0.018 0.000 1.317 360 K HN -0.131 nan 8.250 nan 0.000 0.441 361 N N 1.626 120.359 118.700 0.055 0.000 2.419 361 N HA 0.297 5.037 4.740 0.000 0.000 0.277 361 N C -0.883 174.704 175.510 0.127 0.000 1.006 361 N CA -0.359 52.754 53.050 0.106 0.000 0.923 361 N CB 1.752 40.334 38.487 0.159 0.000 1.140 361 N HN 0.335 nan 8.380 nan 0.000 0.488 362 V N -0.010 119.995 119.914 0.151 0.000 2.715 362 V HA 0.616 4.736 4.120 0.000 0.000 0.310 362 V C -0.389 175.869 176.094 0.273 0.000 1.054 362 V CA -1.117 61.275 62.300 0.154 0.000 0.928 362 V CB 1.916 33.802 31.823 0.106 0.000 1.007 362 V HN 0.405 nan 8.190 nan 0.000 0.437 363 L N 5.040 126.404 121.223 0.235 0.000 2.295 363 L HA 0.621 4.962 4.340 0.000 0.000 0.281 363 L C -0.730 176.264 176.870 0.207 0.000 1.018 363 L CA -0.189 54.821 54.840 0.284 0.000 0.841 363 L CB 0.698 42.897 42.059 0.234 0.000 1.218 363 L HN 0.721 nan 8.230 nan 0.000 0.424 364 L N 5.704 127.059 121.223 0.220 0.000 2.292 364 L HA 0.536 4.876 4.340 0.000 0.000 0.284 364 L C -0.452 176.501 176.870 0.138 0.000 1.065 364 L CA -0.808 54.150 54.840 0.196 0.000 0.806 364 L CB 1.523 43.718 42.059 0.225 0.000 1.175 364 L HN 0.309 nan 8.230 nan 0.000 0.431 365 V N 1.994 121.978 119.914 0.117 0.000 2.357 365 V HA 0.382 4.502 4.120 0.000 0.000 0.284 365 V C -0.536 175.589 176.094 0.052 0.000 1.018 365 V CA -0.453 61.891 62.300 0.073 0.000 0.841 365 V CB 1.618 33.490 31.823 0.081 0.000 0.991 365 V HN 0.635 nan 8.190 nan 0.000 0.437 366 D N 2.332 122.741 120.400 0.015 0.000 2.575 366 D HA 0.259 4.899 4.640 0.000 0.000 0.236 366 D C 0.861 177.167 176.300 0.010 0.000 1.075 366 D CA -0.503 53.502 54.000 0.008 0.000 0.860 366 D CB 2.306 43.096 40.800 -0.017 0.000 1.475 366 D HN 0.687 nan 8.370 nan 0.000 0.474 367 D N 0.664 121.085 120.400 0.035 0.000 2.218 367 D HA -0.113 4.527 4.640 0.000 0.000 0.204 367 D C 0.098 176.431 176.300 0.053 0.000 0.976 367 D CA 0.565 54.594 54.000 0.049 0.000 0.853 367 D CB 0.217 41.082 40.800 0.109 0.000 0.939 367 D HN 0.287 nan 8.370 nan 0.000 0.481 368 S N -1.100 114.628 115.700 0.048 0.000 2.656 368 S HA 0.522 4.992 4.470 0.000 0.000 0.265 368 S C -1.354 173.290 174.600 0.073 0.000 1.110 368 S CA -1.117 57.148 58.200 0.110 0.000 0.821 368 S CB 0.858 64.180 63.200 0.202 0.000 1.099 368 S HN 0.131 nan 8.310 nan 0.000 0.471 369 I N 1.771 122.427 120.570 0.142 0.000 2.468 369 I HA 0.406 4.576 4.170 0.000 0.000 0.284 369 I C 0.120 176.315 176.117 0.129 0.000 1.038 369 I CA -0.731 60.637 61.300 0.113 0.000 1.083 369 I CB 1.863 39.947 38.000 0.141 0.000 1.223 369 I HN 0.579 nan 8.210 nan 0.000 0.443 370 V N 5.433 125.384 119.914 0.061 0.000 2.543 370 V HA 0.031 4.151 4.120 0.000 0.000 0.232 370 V C 2.089 178.197 176.094 0.023 0.000 1.087 370 V CA 0.688 63.005 62.300 0.029 0.000 1.113 370 V CB -0.301 31.515 31.823 -0.012 0.000 0.779 370 V HN 0.772 nan 8.190 nan 0.000 0.495 371 R N 1.009 121.517 120.500 0.012 0.000 2.254 371 R HA 0.281 4.621 4.340 0.000 0.000 0.195 371 R C 1.651 177.965 176.300 0.024 0.000 0.957 371 R CA 1.143 57.251 56.100 0.013 0.000 1.024 371 R CB -0.287 30.013 30.300 0.001 0.000 0.952 371 R HN 0.713 nan 8.270 nan 0.000 0.484 372 G N 0.531 109.348 108.800 0.028 0.000 2.241 372 G HA2 -0.343 3.617 3.960 0.000 0.000 0.244 372 G HA3 -0.343 3.617 3.960 0.000 0.000 0.244 372 G C 0.980 175.887 174.900 0.010 0.000 0.998 372 G CA 0.684 45.802 45.100 0.030 0.000 0.621 372 G HN 0.311 nan 8.290 nan 0.000 0.519 373 T N 1.320 115.875 114.554 0.002 0.000 2.622 373 T HA -0.133 4.217 4.350 0.000 0.000 0.266 373 T C 2.475 177.164 174.700 -0.019 0.000 1.047 373 T CA 2.565 64.661 62.100 -0.008 0.000 1.159 373 T CB -0.854 68.008 68.868 -0.010 0.000 0.863 373 T HN 0.504 nan 8.240 nan 0.000 0.422 374 T N 2.653 117.191 114.554 -0.027 0.000 2.570 374 T HA -0.188 4.162 4.350 0.000 0.000 0.266 374 T C 2.437 177.103 174.700 -0.057 0.000 1.071 374 T CA 1.940 64.012 62.100 -0.047 0.000 1.172 374 T CB -0.829 68.010 68.868 -0.049 0.000 0.864 374 T HN 0.460 nan 8.240 nan 0.000 0.421 375 S N 1.275 116.950 115.700 -0.042 0.000 2.372 375 S HA -0.239 4.231 4.470 0.000 0.000 0.227 375 S C 1.999 176.583 174.600 -0.027 0.000 1.044 375 S CA 1.640 59.817 58.200 -0.037 0.000 1.050 375 S CB -0.538 62.651 63.200 -0.017 0.000 0.901 375 S HN 0.637 nan 8.310 nan 0.000 0.447 376 E N 1.265 121.456 120.200 -0.016 0.000 2.051 376 E HA -0.240 4.111 4.350 0.000 0.000 0.192 376 E C 2.203 178.792 176.600 -0.018 0.000 0.991 376 E CA 1.305 57.699 56.400 -0.010 0.000 0.799 376 E CB -0.185 29.512 29.700 -0.005 0.000 0.748 376 E HN 0.633 nan 8.360 nan 0.000 0.449 377 Q N 0.038 119.821 119.800 -0.028 0.000 2.167 377 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 377 Q C 2.360 178.335 176.000 -0.042 0.000 0.970 377 Q CA 1.119 56.903 55.803 -0.032 0.000 0.855 377 Q CB 0.013 28.730 28.738 -0.035 0.000 0.911 377 Q HN 0.408 nan 8.270 nan 0.000 0.438 378 I N 0.316 120.841 120.570 -0.075 0.000 2.315 378 I HA -0.275 3.896 4.170 0.000 0.000 0.248 378 I C 2.039 178.162 176.117 0.010 0.000 1.117 378 I CA 1.066 62.291 61.300 -0.125 0.000 1.404 378 I CB -0.138 37.717 38.000 -0.242 0.000 1.071 378 I HN 0.208 nan 8.210 nan 0.000 0.419 379 I N 0.568 121.145 120.570 0.011 0.000 2.226 379 I HA -0.277 3.893 4.170 0.000 0.000 0.245 379 I C 2.449 178.575 176.117 0.016 0.000 1.100 379 I CA 1.450 62.772 61.300 0.037 0.000 1.374 379 I CB -0.290 37.718 38.000 0.014 0.000 1.057 379 I HN 0.207 nan 8.210 nan 0.000 0.413 380 E N 0.379 120.576 120.200 -0.004 0.000 2.077 380 E HA -0.248 4.102 4.350 0.000 0.000 0.193 380 E C 2.337 178.917 176.600 -0.034 0.000 0.989 380 E CA 1.391 57.780 56.400 -0.019 0.000 0.800 380 E CB -0.097 29.592 29.700 -0.020 0.000 0.746 380 E HN 0.449 nan 8.360 nan 0.000 0.452 381 M N 0.128 119.717 119.600 -0.017 0.000 2.108 381 M HA -0.203 4.277 4.480 0.000 0.000 0.261 381 M C 2.481 178.662 176.300 -0.198 0.000 1.066 381 M CA 1.509 56.783 55.300 -0.042 0.000 1.107 381 M CB -0.266 32.390 32.600 0.093 0.000 1.356 381 M HN 0.143 nan 8.290 nan 0.000 0.406 382 A N 0.205 122.944 122.820 -0.134 0.000 1.898 382 A HA -0.131 4.189 4.320 0.000 0.000 0.216 382 A C 2.181 179.675 177.584 -0.149 0.000 1.181 382 A CA 1.282 53.150 52.037 -0.281 0.000 0.620 382 A CB -0.478 18.591 19.000 0.116 0.000 0.819 382 A HN 0.335 nan 8.150 nan 0.000 0.442 383 R N 0.037 120.496 120.500 -0.068 0.000 2.081 383 R HA -0.113 4.227 4.340 0.000 0.000 0.235 383 R C 1.806 178.068 176.300 -0.063 0.000 1.131 383 R CA 1.636 57.709 56.100 -0.046 0.000 0.960 383 R CB -0.721 29.558 30.300 -0.035 0.000 0.856 383 R HN 0.733 nan 8.270 nan 0.000 0.436 384 E N 0.353 120.500 120.200 -0.087 0.000 2.268 384 E HA -0.066 4.284 4.350 0.000 0.000 0.195 384 E C 1.405 177.943 176.600 -0.102 0.000 0.995 384 E CA 0.885 57.236 56.400 -0.081 0.000 0.836 384 E CB 0.038 29.692 29.700 -0.076 0.000 0.763 384 E HN 0.281 nan 8.360 nan 0.000 0.491 385 A N 0.173 122.888 122.820 -0.176 0.000 2.251 385 A HA 0.312 4.632 4.320 0.000 0.000 0.209 385 A C 1.549 179.118 177.584 -0.024 0.000 1.187 385 A CA 0.670 52.606 52.037 -0.168 0.000 0.823 385 A CB -0.121 18.598 19.000 -0.468 0.000 0.846 385 A HN 0.299 nan 8.150 nan 0.000 0.486 386 G N -2.096 106.696 108.800 -0.014 0.000 2.144 386 G HA2 0.147 4.107 3.960 0.000 0.000 0.218 386 G HA3 0.147 4.107 3.960 0.000 0.000 0.218 386 G C 0.328 175.260 174.900 0.054 0.000 0.988 386 G CA 0.077 45.191 45.100 0.023 0.000 0.659 386 G HN 1.513 nan 8.290 nan 0.000 0.522 387 A N 0.020 122.884 122.820 0.073 0.000 2.401 387 A HA 0.718 5.038 4.320 0.000 0.000 0.259 387 A C 1.233 178.836 177.584 0.031 0.000 1.103 387 A CA 0.982 53.076 52.037 0.095 0.000 0.789 387 A CB 0.495 19.596 19.000 0.168 0.000 1.035 387 A HN 0.370 nan 8.150 nan 0.000 0.491 388 K N 1.075 121.488 120.400 0.022 0.000 1.997 388 K HA 0.040 4.360 4.320 0.000 0.000 0.212 388 K C 0.110 176.684 176.600 -0.043 0.000 1.033 388 K CA 0.845 57.130 56.287 -0.004 0.000 0.950 388 K CB -0.143 32.361 32.500 0.007 0.000 0.751 388 K HN 0.525 nan 8.250 nan 0.000 0.444 389 K N 1.386 121.748 120.400 -0.062 0.000 2.164 389 K HA 0.383 4.703 4.320 0.000 0.000 0.258 389 K C -0.916 175.516 176.600 -0.281 0.000 0.951 389 K CA -0.549 55.606 56.287 -0.220 0.000 0.844 389 K CB 2.309 34.660 32.500 -0.247 0.000 1.099 389 K HN -0.100 nan 8.250 nan 0.000 0.435 390 V N 3.734 123.394 119.914 -0.424 0.000 2.443 390 V HA 0.347 4.467 4.120 0.000 0.000 0.293 390 V C -1.284 174.558 176.094 -0.420 0.000 1.021 390 V CA -0.950 61.197 62.300 -0.255 0.000 0.848 390 V CB 0.810 32.594 31.823 -0.065 0.000 0.998 390 V HN 0.550 nan 8.190 nan 0.000 0.424 391 Y N 4.630 124.981 120.300 0.086 0.000 2.377 391 Y HA 0.732 5.282 4.550 0.000 0.000 0.339 391 Y C -0.226 175.784 175.900 0.182 0.000 1.011 391 Y CA -0.960 57.220 58.100 0.133 0.000 1.093 391 Y CB 1.912 40.463 38.460 0.152 0.000 1.201 391 Y HN 0.536 nan 8.280 nan 0.000 0.455 392 L N 3.128 124.538 121.223 0.312 0.000 2.333 392 L HA 0.904 5.244 4.340 0.000 0.000 0.280 392 L C -0.769 176.157 176.870 0.095 0.000 1.004 392 L CA -0.744 54.195 54.840 0.165 0.000 0.820 392 L CB 1.148 43.243 42.059 0.060 0.000 1.247 392 L HN 0.692 nan 8.230 nan 0.000 0.416 393 A N 3.183 126.015 122.820 0.019 0.000 2.331 393 A HA 0.726 5.046 4.320 0.000 0.000 0.320 393 A C -0.684 176.818 177.584 -0.137 0.000 1.138 393 A CA -0.456 51.523 52.037 -0.098 0.000 0.790 393 A CB 1.235 20.200 19.000 -0.059 0.000 1.206 393 A HN 0.688 nan 8.150 nan 0.000 0.470 394 S N 1.898 117.455 115.700 -0.237 0.000 2.474 394 S HA 0.494 4.964 4.470 0.000 0.000 0.321 394 S C 1.097 175.659 174.600 -0.064 0.000 1.080 394 S CA 0.029 58.121 58.200 -0.180 0.000 1.106 394 S CB 0.968 63.952 63.200 -0.360 0.000 0.984 394 S HN 1.464 nan 8.310 nan 0.000 0.464 395 A N 4.161 126.968 122.820 -0.023 0.000 2.125 395 A HA 0.407 4.727 4.320 0.000 0.000 0.219 395 A C 1.111 178.697 177.584 0.003 0.000 1.156 395 A CA 1.176 53.204 52.037 -0.015 0.000 0.671 395 A CB -0.449 18.546 19.000 -0.008 0.000 0.794 395 A HN 1.112 nan 8.150 nan 0.000 0.459 396 A N -0.609 122.258 122.820 0.079 0.000 2.340 396 A HA 0.705 5.025 4.320 0.000 0.000 0.331 396 A C -2.812 174.913 177.584 0.234 0.000 1.140 396 A CA -2.008 50.108 52.037 0.131 0.000 0.801 396 A CB 0.791 19.995 19.000 0.341 0.000 1.234 396 A HN 0.101 nan 8.150 nan 0.000 0.469 397 P HA 0.205 nan 4.420 nan 0.000 0.274 397 P C -0.641 176.878 177.300 0.365 0.000 1.264 397 P CA -0.160 62.989 63.100 0.081 0.000 0.795 397 P CB 0.317 31.836 31.700 -0.302 0.000 1.064 398 E N 0.019 120.192 120.200 -0.046 0.000 2.415 398 E HA 0.096 4.447 4.350 0.000 0.000 0.263 398 E C -0.305 176.406 176.600 0.185 0.000 0.995 398 E CA 0.496 56.769 56.400 -0.212 0.000 0.915 398 E CB -0.369 28.960 29.700 -0.619 0.000 0.951 398 E HN 0.255 nan 8.360 nan 0.000 0.449 399 I N 4.121 124.777 120.570 0.143 0.000 2.291 399 I HA 0.184 4.355 4.170 0.000 0.000 0.290 399 I C 1.002 177.071 176.117 -0.079 0.000 1.050 399 I CA -0.063 61.237 61.300 0.000 0.000 1.245 399 I CB 0.542 38.507 38.000 -0.058 0.000 1.405 399 I HN 0.441 nan 8.210 nan 0.000 0.478 400 R N 4.510 124.923 120.500 -0.144 0.000 2.509 400 R HA 0.329 4.669 4.340 0.000 0.000 0.297 400 R C -0.690 175.165 176.300 -0.741 0.000 0.951 400 R CA -0.007 55.842 56.100 -0.418 0.000 1.103 400 R CB 0.570 30.509 30.300 -0.602 0.000 1.283 400 R HN 0.344 nan 8.270 nan 0.000 0.534 401 F N 1.236 121.134 119.950 -0.086 0.000 2.620 401 F HA 0.467 4.994 4.527 0.000 0.000 0.320 401 F C -2.248 173.484 175.800 -0.113 0.000 1.069 401 F CA -2.927 55.030 58.000 -0.072 0.000 0.953 401 F CB 1.481 40.475 39.000 -0.009 0.000 1.322 401 F HN -0.255 nan 8.300 nan 0.000 0.479 402 P HA 0.082 nan 4.420 nan 0.000 0.292 402 P C -1.166 176.151 177.300 0.029 0.000 1.287 402 P CA -0.312 62.793 63.100 0.008 0.000 0.800 402 P CB 1.151 32.829 31.700 -0.035 0.000 0.945 403 N N 3.581 122.229 118.700 -0.088 0.000 2.401 403 N HA 0.069 4.809 4.740 0.000 0.000 0.255 403 N C 0.514 175.941 175.510 -0.138 0.000 1.110 403 N CA -0.197 52.782 53.050 -0.119 0.000 0.949 403 N CB 0.713 39.089 38.487 -0.186 0.000 1.110 403 N HN 0.178 nan 8.380 nan 0.000 0.490 404 V N 2.615 122.387 119.914 -0.236 0.000 3.252 404 V HA 0.298 4.418 4.120 0.000 0.000 0.350 404 V C -0.421 175.477 176.094 -0.327 0.000 1.329 404 V CA 0.008 62.137 62.300 -0.285 0.000 1.258 404 V CB -1.257 30.368 31.823 -0.330 0.000 1.208 404 V HN 0.474 nan 8.190 nan 0.000 0.462 405 Y N 0.962 121.283 120.300 0.035 0.000 2.588 405 Y HA 0.690 5.240 4.550 0.000 0.000 0.247 405 Y C 1.709 177.591 175.900 -0.030 0.000 1.157 405 Y CA -0.794 57.320 58.100 0.024 0.000 1.215 405 Y CB 1.026 39.496 38.460 0.017 0.000 1.245 405 Y HN 0.428 nan 8.280 nan 0.000 0.534 406 G N 0.014 108.843 108.800 0.049 0.000 2.198 406 G HA2 -0.116 3.844 3.960 0.000 0.000 0.156 406 G HA3 -0.116 3.844 3.960 0.000 0.000 0.156 406 G C -0.525 174.264 174.900 -0.185 0.000 1.012 406 G CA -0.535 44.532 45.100 -0.054 0.000 0.692 406 G HN 0.002 nan 8.290 nan 0.000 0.492 407 I N 1.954 122.418 120.570 -0.177 0.000 2.382 407 I HA 0.335 4.505 4.170 0.000 0.000 0.286 407 I C -0.478 175.532 176.117 -0.179 0.000 1.002 407 I CA -1.206 59.944 61.300 -0.250 0.000 1.135 407 I CB 1.242 39.074 38.000 -0.281 0.000 1.288 407 I HN 0.121 nan 8.210 nan 0.000 0.448 408 D N 6.338 126.642 120.400 -0.159 0.000 2.346 408 D HA 0.298 4.938 4.640 0.000 0.000 0.260 408 D C -0.400 175.879 176.300 -0.034 0.000 1.252 408 D CA 0.187 54.179 54.000 -0.014 0.000 0.895 408 D CB 0.580 41.511 40.800 0.218 0.000 1.097 408 D HN 0.297 nan 8.370 nan 0.000 0.489 409 M N 5.055 124.612 119.600 -0.072 0.000 2.456 409 M HA 0.464 4.944 4.480 0.000 0.000 0.324 409 M C -2.325 173.940 176.300 -0.059 0.000 1.124 409 M CA -2.220 53.017 55.300 -0.105 0.000 0.959 409 M CB 2.127 34.622 32.600 -0.175 0.000 1.692 409 M HN 0.233 nan 8.290 nan 0.000 0.444 410 P HA 0.192 nan 4.420 nan 0.000 0.272 410 P C -0.952 176.309 177.300 -0.065 0.000 1.223 410 P CA -0.341 62.736 63.100 -0.038 0.000 0.784 410 P CB 0.317 32.000 31.700 -0.029 0.000 0.923 411 S N 0.655 116.318 115.700 -0.061 0.000 2.553 411 S HA -0.017 4.453 4.470 0.000 0.000 0.293 411 S C 1.550 176.077 174.600 -0.121 0.000 1.296 411 S CA 0.058 58.206 58.200 -0.085 0.000 1.046 411 S CB -0.094 63.064 63.200 -0.070 0.000 0.810 411 S HN 0.614 nan 8.310 nan 0.000 0.505 412 A N 3.005 125.716 122.820 -0.182 0.000 2.084 412 A HA -0.065 4.255 4.320 0.000 0.000 0.221 412 A C 2.210 179.603 177.584 -0.318 0.000 1.161 412 A CA 1.992 53.839 52.037 -0.316 0.000 0.653 412 A CB -1.574 17.150 19.000 -0.459 0.000 0.802 412 A HN 0.955 nan 8.150 nan 0.000 0.457 413 T N 0.030 114.488 114.554 -0.159 0.000 2.904 413 T HA -0.078 4.272 4.350 0.000 0.000 0.267 413 T C 1.544 176.251 174.700 0.011 0.000 1.059 413 T CA 1.347 63.436 62.100 -0.019 0.000 1.137 413 T CB -0.162 68.701 68.868 -0.008 0.000 0.879 413 T HN 0.695 nan 8.240 nan 0.000 0.467 414 E N 0.907 121.091 120.200 -0.027 0.000 2.285 414 E HA 0.084 4.434 4.350 0.000 0.000 0.194 414 E C 0.265 176.860 176.600 -0.008 0.000 0.997 414 E CA 0.170 56.561 56.400 -0.014 0.000 0.845 414 E CB -0.095 29.590 29.700 -0.025 0.000 0.782 414 E HN 0.477 nan 8.360 nan 0.000 0.491 415 L N 2.202 123.411 121.223 -0.023 0.000 2.477 415 L HA 0.068 4.408 4.340 0.000 0.000 0.272 415 L C 1.583 178.475 176.870 0.036 0.000 1.157 415 L CA -0.047 54.786 54.840 -0.011 0.000 0.889 415 L CB 0.600 42.626 42.059 -0.056 0.000 1.158 415 L HN 0.103 nan 8.230 nan 0.000 0.473 416 I N 2.829 123.422 120.570 0.039 0.000 2.493 416 I HA -0.218 3.952 4.170 0.000 0.000 0.254 416 I C 2.351 178.494 176.117 0.043 0.000 1.160 416 I CA 1.273 62.601 61.300 0.048 0.000 1.445 416 I CB 0.321 38.358 38.000 0.061 0.000 1.086 416 I HN 0.833 nan 8.210 nan 0.000 0.433 417 A N -0.624 122.218 122.820 0.037 0.000 2.066 417 A HA -0.196 4.124 4.320 0.000 0.000 0.218 417 A C 1.418 178.972 177.584 -0.049 0.000 1.157 417 A CA 0.303 52.330 52.037 -0.017 0.000 0.670 417 A CB -0.864 18.105 19.000 -0.051 0.000 0.804 417 A HN 0.629 nan 8.150 nan 0.000 0.453 418 H N 0.253 119.241 119.070 -0.136 0.000 3.191 418 H HA 0.249 4.806 4.556 0.000 0.000 0.261 418 H C 1.231 176.487 175.328 -0.121 0.000 1.013 418 H CA 0.645 56.586 56.048 -0.179 0.000 1.457 418 H CB -0.251 29.411 29.762 -0.167 0.000 1.535 418 H HN 0.530 nan 8.280 nan 0.000 0.518 419 G N 4.836 113.387 108.800 -0.414 0.000 2.176 419 G HA2 -0.268 3.692 3.960 0.000 0.000 0.252 419 G HA3 -0.268 3.692 3.960 0.000 0.000 0.252 419 G C 0.041 174.824 174.900 -0.195 0.000 1.024 419 G CA 0.228 45.105 45.100 -0.373 0.000 0.755 419 G HN 0.700 nan 8.290 nan 0.000 0.507 420 R N -0.607 119.815 120.500 -0.131 0.000 2.725 420 R HA 0.474 4.815 4.340 0.000 0.000 0.277 420 R C -0.595 175.676 176.300 -0.049 0.000 0.987 420 R CA -0.997 55.062 56.100 -0.069 0.000 0.901 420 R CB 1.306 31.583 30.300 -0.038 0.000 1.207 420 R HN 0.127 nan 8.270 nan 0.000 0.463 421 E N 1.233 121.422 120.200 -0.018 0.000 2.349 421 E HA 0.056 4.406 4.350 0.000 0.000 0.265 421 E C 1.100 177.724 176.600 0.039 0.000 1.064 421 E CA -0.151 56.249 56.400 0.000 0.000 0.886 421 E CB 1.562 31.270 29.700 0.014 0.000 1.036 421 E HN 0.318 nan 8.360 nan 0.000 0.413 422 V N 1.905 121.857 119.914 0.062 0.000 2.317 422 V HA -0.322 3.798 4.120 0.000 0.000 0.251 422 V C 1.835 178.034 176.094 0.174 0.000 1.065 422 V CA 2.474 64.873 62.300 0.166 0.000 1.049 422 V CB -0.453 31.495 31.823 0.209 0.000 0.651 422 V HN 0.692 nan 8.190 nan 0.000 0.450 423 D N -0.823 119.652 120.400 0.125 0.000 2.219 423 D HA -0.172 4.469 4.640 0.000 0.000 0.205 423 D C 2.236 178.587 176.300 0.085 0.000 0.970 423 D CA 1.076 55.142 54.000 0.110 0.000 0.851 423 D CB -0.018 40.834 40.800 0.088 0.000 0.943 423 D HN 0.542 nan 8.370 nan 0.000 0.488 424 E N -0.461 119.780 120.200 0.069 0.000 2.107 424 E HA -0.104 4.247 4.350 0.000 0.000 0.191 424 E C 2.075 178.713 176.600 0.063 0.000 0.982 424 E CA 0.509 56.939 56.400 0.050 0.000 0.809 424 E CB 0.085 29.802 29.700 0.028 0.000 0.756 424 E HN 0.385 nan 8.360 nan 0.000 0.459 425 I N 0.528 121.153 120.570 0.093 0.000 2.202 425 I HA -0.257 3.913 4.170 0.000 0.000 0.242 425 I C 2.810 178.993 176.117 0.110 0.000 1.091 425 I CA 0.869 62.238 61.300 0.116 0.000 1.368 425 I CB -0.363 37.755 38.000 0.196 0.000 1.058 425 I HN 0.084 nan 8.210 nan 0.000 0.410 426 R N 1.029 121.606 120.500 0.128 0.000 2.113 426 R HA -0.268 4.072 4.340 0.000 0.000 0.244 426 R C 2.290 178.629 176.300 0.066 0.000 1.142 426 R CA 2.063 58.227 56.100 0.106 0.000 0.953 426 R CB -0.234 30.143 30.300 0.127 0.000 0.860 426 R HN 0.462 nan 8.270 nan 0.000 0.438 427 Q N -0.032 119.803 119.800 0.058 0.000 2.050 427 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 427 Q C 2.286 178.303 176.000 0.029 0.000 0.980 427 Q CA 1.842 57.667 55.803 0.036 0.000 0.840 427 Q CB -0.111 28.646 28.738 0.033 0.000 0.898 427 Q HN 0.444 nan 8.270 nan 0.000 0.424 428 I N 0.996 121.588 120.570 0.036 0.000 2.286 428 I HA -0.254 3.916 4.170 0.000 0.000 0.248 428 I C 2.297 178.429 176.117 0.025 0.000 1.115 428 I CA 1.085 62.403 61.300 0.029 0.000 1.392 428 I CB -0.309 37.711 38.000 0.033 0.000 1.065 428 I HN 0.322 nan 8.210 nan 0.000 0.418 429 I N -1.416 119.174 120.570 0.033 0.000 3.564 429 I HA 0.284 4.454 4.170 0.000 0.000 0.294 429 I C 1.374 177.499 176.117 0.012 0.000 1.289 429 I CA 0.648 61.962 61.300 0.023 0.000 1.325 429 I CB -0.417 37.600 38.000 0.029 0.000 1.039 429 I HN 0.271 nan 8.210 nan 0.000 0.474 430 G N 1.727 110.534 108.800 0.011 0.000 2.198 430 G HA2 -0.221 3.739 3.960 0.000 0.000 0.260 430 G HA3 -0.221 3.739 3.960 0.000 0.000 0.260 430 G C 0.294 175.185 174.900 -0.015 0.000 1.025 430 G CA 0.156 45.255 45.100 -0.003 0.000 0.769 430 G HN 0.969 nan 8.290 nan 0.000 0.507 431 A N -0.552 122.267 122.820 -0.002 0.000 2.316 431 A HA 0.643 4.963 4.320 0.000 0.000 0.284 431 A C 1.142 178.694 177.584 -0.053 0.000 1.115 431 A CA 0.339 52.365 52.037 -0.018 0.000 0.812 431 A CB 0.549 19.569 19.000 0.033 0.000 1.064 431 A HN 0.150 nan 8.150 nan 0.000 0.489 432 D N 0.909 121.207 120.400 -0.170 0.000 2.224 432 D HA 0.120 4.761 4.640 0.000 0.000 0.205 432 D C 0.814 177.054 176.300 -0.099 0.000 0.965 432 D CA 1.766 55.630 54.000 -0.227 0.000 0.852 432 D CB 0.345 40.828 40.800 -0.527 0.000 0.947 432 D HN 0.710 nan 8.370 nan 0.000 0.494 433 G N 0.142 108.951 108.800 0.015 0.000 2.742 433 G HA2 0.480 4.440 3.960 0.000 0.000 0.296 433 G HA3 0.480 4.440 3.960 0.000 0.000 0.296 433 G C -2.124 173.038 174.900 0.436 0.000 1.436 433 G CA -0.480 44.766 45.100 0.242 0.000 0.928 433 G HN 0.038 nan 8.290 nan 0.000 0.520 434 L N 1.639 123.178 121.223 0.526 0.000 2.431 434 L HA 0.896 5.236 4.340 0.000 0.000 0.266 434 L C -1.285 175.768 176.870 0.306 0.000 0.978 434 L CA -1.012 54.036 54.840 0.347 0.000 0.822 434 L CB 1.887 44.058 42.059 0.186 0.000 1.310 434 L HN 0.655 nan 8.230 nan 0.000 0.409 435 I N 3.625 124.178 120.570 -0.027 0.000 2.644 435 I HA 0.498 4.669 4.170 0.000 0.000 0.291 435 I C -1.553 174.423 176.117 -0.235 0.000 1.180 435 I CA -0.341 60.849 61.300 -0.184 0.000 1.040 435 I CB 1.536 39.096 38.000 -0.733 0.000 1.255 435 I HN 0.556 nan 8.210 nan 0.000 0.422 436 F N 4.287 124.183 119.950 -0.091 0.000 2.497 436 F HA 0.498 5.025 4.527 0.000 0.000 0.331 436 F C 0.414 176.153 175.800 -0.102 0.000 1.060 436 F CA -0.370 57.593 58.000 -0.062 0.000 0.989 436 F CB 1.184 40.176 39.000 -0.013 0.000 1.245 436 F HN 0.432 nan 8.300 nan 0.000 0.486 437 Q N 0.849 120.718 119.800 0.115 0.000 2.354 437 Q HA 0.164 4.504 4.340 0.000 0.000 0.244 437 Q C -1.285 174.701 176.000 -0.023 0.000 0.969 437 Q CA -0.213 55.585 55.803 -0.009 0.000 0.885 437 Q CB 0.623 29.332 28.738 -0.050 0.000 1.241 437 Q HN 0.393 nan 8.270 nan 0.000 0.461 438 D N 2.533 122.895 120.400 -0.064 0.000 2.256 438 D HA 0.035 4.675 4.640 0.000 0.000 0.250 438 D C 0.668 176.895 176.300 -0.122 0.000 1.093 438 D CA -0.240 53.717 54.000 -0.072 0.000 0.882 438 D CB 1.405 42.170 40.800 -0.059 0.000 1.185 438 D HN 0.584 nan 8.370 nan 0.000 0.437 439 L N 4.346 125.485 121.223 -0.140 0.000 2.042 439 L HA -0.227 4.113 4.340 0.000 0.000 0.210 439 L C 1.799 178.592 176.870 -0.127 0.000 1.076 439 L CA 1.754 56.474 54.840 -0.199 0.000 0.749 439 L CB -0.590 41.379 42.059 -0.151 0.000 0.893 439 L HN 0.438 nan 8.230 nan 0.000 0.432 440 N N -1.111 117.545 118.700 -0.074 0.000 2.120 440 N HA -0.219 4.522 4.740 0.000 0.000 0.188 440 N C 1.384 176.862 175.510 -0.054 0.000 1.024 440 N CA 1.782 54.805 53.050 -0.045 0.000 0.852 440 N CB -0.904 37.566 38.487 -0.029 0.000 1.003 440 N HN 0.361 nan 8.380 nan 0.000 0.424 441 D N 0.701 121.059 120.400 -0.070 0.000 2.117 441 D HA -0.064 4.576 4.640 0.000 0.000 0.198 441 D C 2.054 178.297 176.300 -0.095 0.000 0.982 441 D CA 0.365 54.321 54.000 -0.074 0.000 0.828 441 D CB -0.342 40.413 40.800 -0.075 0.000 0.967 441 D HN 0.183 nan 8.370 nan 0.000 0.464 442 L N 0.699 121.843 121.223 -0.132 0.000 2.046 442 L HA -0.066 4.275 4.340 0.000 0.000 0.208 442 L C 1.980 178.743 176.870 -0.178 0.000 1.077 442 L CA 1.354 56.092 54.840 -0.170 0.000 0.747 442 L CB -0.444 41.474 42.059 -0.237 0.000 0.896 442 L HN 0.031 nan 8.230 nan 0.000 0.432 443 I N -0.256 120.236 120.570 -0.130 0.000 2.226 443 I HA -0.285 3.886 4.170 0.000 0.000 0.245 443 I C 1.973 178.103 176.117 0.022 0.000 1.100 443 I CA 1.447 62.726 61.300 -0.036 0.000 1.374 443 I CB -0.714 37.338 38.000 0.087 0.000 1.057 443 I HN 0.289 nan 8.210 nan 0.000 0.413 444 D N 1.287 121.679 120.400 -0.012 0.000 2.144 444 D HA -0.122 4.518 4.640 0.000 0.000 0.199 444 D C 2.273 178.550 176.300 -0.038 0.000 0.984 444 D CA 1.466 55.460 54.000 -0.010 0.000 0.834 444 D CB -0.212 40.574 40.800 -0.024 0.000 0.955 444 D HN 0.338 nan 8.370 nan 0.000 0.465 445 A N 0.667 123.440 122.820 -0.078 0.000 1.883 445 A HA -0.162 4.158 4.320 0.000 0.000 0.217 445 A C 2.511 180.019 177.584 -0.127 0.000 1.186 445 A CA 1.548 53.523 52.037 -0.102 0.000 0.624 445 A CB -0.695 18.233 19.000 -0.119 0.000 0.822 445 A HN 0.171 nan 8.150 nan 0.000 0.444 446 V N -0.634 119.172 119.914 -0.180 0.000 2.346 446 V HA -0.143 3.977 4.120 0.000 0.000 0.244 446 V C 2.543 178.586 176.094 -0.086 0.000 1.037 446 V CA 1.850 63.989 62.300 -0.269 0.000 1.029 446 V CB -0.795 30.651 31.823 -0.627 0.000 0.663 446 V HN 0.575 nan 8.190 nan 0.000 0.454 447 R N 0.426 120.971 120.500 0.074 0.000 2.117 447 R HA -0.200 4.140 4.340 0.000 0.000 0.243 447 R C 2.244 178.555 176.300 0.018 0.000 1.143 447 R CA 1.597 57.763 56.100 0.111 0.000 0.968 447 R CB -0.506 29.865 30.300 0.119 0.000 0.863 447 R HN 0.514 nan 8.270 nan 0.000 0.444 448 A N 0.707 123.520 122.820 -0.011 0.000 2.139 448 A HA -0.160 4.160 4.320 0.000 0.000 0.221 448 A C 1.527 179.098 177.584 -0.022 0.000 1.159 448 A CA 1.443 53.466 52.037 -0.023 0.000 0.662 448 A CB -0.217 18.760 19.000 -0.039 0.000 0.796 448 A HN 0.317 nan 8.150 nan 0.000 0.463 449 E N -1.019 119.167 120.200 -0.023 0.000 2.385 449 E HA 0.006 4.356 4.350 0.000 0.000 0.194 449 E C -0.073 176.538 176.600 0.018 0.000 1.013 449 E CA 0.382 56.778 56.400 -0.007 0.000 0.866 449 E CB 0.074 29.763 29.700 -0.018 0.000 0.832 449 E HN 0.613 nan 8.360 nan 0.000 0.500 450 N N -0.298 118.410 118.700 0.013 0.000 3.153 450 N HA 0.107 4.847 4.740 0.000 0.000 0.208 450 N C -2.637 172.869 175.510 -0.006 0.000 1.462 450 N CA -0.963 52.098 53.050 0.017 0.000 0.754 450 N CB 0.926 39.438 38.487 0.042 0.000 1.558 450 N HN -0.296 nan 8.380 nan 0.000 0.605 451 P HA -0.064 nan 4.420 nan 0.000 0.224 451 P C 0.333 177.607 177.300 -0.042 0.000 1.142 451 P CA 0.901 63.985 63.100 -0.026 0.000 0.778 451 P CB 0.317 32.006 31.700 -0.018 0.000 0.764 452 D N -1.019 119.359 120.400 -0.035 0.000 2.263 452 D HA -0.072 4.569 4.640 0.000 0.000 0.208 452 D C 0.759 177.009 176.300 -0.084 0.000 0.971 452 D CA 0.802 54.775 54.000 -0.044 0.000 0.867 452 D CB -0.236 40.550 40.800 -0.023 0.000 0.929 452 D HN 0.177 nan 8.370 nan 0.000 0.492 453 I N 1.936 122.430 120.570 -0.127 0.000 2.363 453 I HA 0.027 4.197 4.170 0.000 0.000 0.292 453 I C 1.292 177.242 176.117 -0.279 0.000 1.075 453 I CA 0.083 61.231 61.300 -0.254 0.000 1.333 453 I CB 1.239 38.976 38.000 -0.438 0.000 1.415 453 I HN -0.125 nan 8.210 nan 0.000 0.502 454 Q N 4.152 123.814 119.800 -0.230 0.000 2.339 454 Q HA 0.114 4.455 4.340 0.000 0.000 0.205 454 Q C 0.472 176.354 176.000 -0.197 0.000 0.925 454 Q CA 0.535 56.237 55.803 -0.169 0.000 0.898 454 Q CB 0.879 29.556 28.738 -0.102 0.000 1.013 454 Q HN 0.682 nan 8.270 nan 0.000 0.504 455 Q N -0.617 119.012 119.800 -0.284 0.000 2.315 455 Q HA 0.457 4.798 4.340 0.000 0.000 0.273 455 Q C -1.564 174.262 176.000 -0.290 0.000 1.053 455 Q CA -0.293 55.388 55.803 -0.203 0.000 0.817 455 Q CB 1.492 30.175 28.738 -0.091 0.000 1.326 455 Q HN -0.110 nan 8.270 nan 0.000 0.423 456 F N 0.498 120.463 119.950 0.025 0.000 2.518 456 F HA 0.421 4.948 4.527 0.000 0.000 0.338 456 F C 0.368 176.201 175.800 0.055 0.000 1.065 456 F CA -0.737 57.298 58.000 0.058 0.000 1.012 456 F CB 1.200 40.255 39.000 0.092 0.000 1.297 456 F HN 0.390 nan 8.300 nan 0.000 0.489 457 E N 0.507 120.896 120.200 0.315 0.000 2.167 457 E HA 0.287 4.637 4.350 0.000 0.000 0.284 457 E C -0.784 175.950 176.600 0.223 0.000 1.016 457 E CA -0.081 56.430 56.400 0.185 0.000 0.817 457 E CB 0.902 30.680 29.700 0.129 0.000 1.080 457 E HN 0.731 nan 8.360 nan 0.000 0.397 458 C N 2.603 121.996 119.300 0.156 0.000 3.365 458 C HA 0.086 4.546 4.460 0.000 0.000 0.266 458 C C 2.047 177.055 174.990 0.030 0.000 1.631 458 C CA 0.126 59.278 59.018 0.223 0.000 1.789 458 C CB -1.334 26.585 27.740 0.298 0.000 3.088 458 C HN 0.749 nan 8.230 nan 0.000 0.547 459 S N 2.730 118.313 115.700 -0.195 0.000 2.399 459 S HA -0.292 4.178 4.470 0.000 0.000 0.235 459 S C 1.847 176.245 174.600 -0.337 0.000 1.063 459 S CA 2.348 60.207 58.200 -0.569 0.000 1.070 459 S CB -1.275 61.289 63.200 -1.059 0.000 0.904 459 S HN 0.901 nan 8.310 nan 0.000 0.456 460 V N -0.910 118.837 119.914 -0.278 0.000 2.324 460 V HA -0.139 3.981 4.120 0.000 0.000 0.250 460 V C 2.140 178.125 176.094 -0.181 0.000 1.060 460 V CA 1.958 64.064 62.300 -0.324 0.000 1.042 460 V CB -1.563 29.843 31.823 -0.694 0.000 0.650 460 V HN 0.471 nan 8.190 nan 0.000 0.450 461 F N 2.645 122.670 119.950 0.124 0.000 2.188 461 F HA 0.158 4.686 4.527 0.000 0.000 0.289 461 F C 2.325 178.248 175.800 0.205 0.000 1.082 461 F CA 1.172 59.268 58.000 0.160 0.000 1.282 461 F CB -0.978 38.077 39.000 0.091 0.000 1.060 461 F HN 0.413 nan 8.300 nan 0.000 0.493 462 N N -0.083 118.749 118.700 0.221 0.000 2.336 462 N HA 0.149 4.889 4.740 0.000 0.000 0.189 462 N C 1.498 176.754 175.510 -0.423 0.000 1.113 462 N CA 0.761 53.817 53.050 0.010 0.000 0.858 462 N CB -0.069 38.425 38.487 0.011 0.000 0.970 462 N HN 0.352 nan 8.380 nan 0.000 0.471 463 G N -0.553 107.699 108.800 -0.915 0.000 2.175 463 G HA2 -0.271 3.689 3.960 0.000 0.000 0.265 463 G HA3 -0.271 3.689 3.960 0.000 0.000 0.265 463 G C -0.344 174.120 174.900 -0.727 0.000 0.979 463 G CA 0.571 44.776 45.100 -1.492 0.000 0.663 463 G HN 0.330 nan 8.290 nan 0.000 0.533 464 V N 1.359 120.958 119.914 -0.525 0.000 2.353 464 V HA 0.372 4.493 4.120 0.000 0.000 0.264 464 V C 0.094 175.982 176.094 -0.344 0.000 1.049 464 V CA -0.740 61.388 62.300 -0.287 0.000 0.896 464 V CB 0.215 31.954 31.823 -0.141 0.000 1.025 464 V HN 0.252 nan 8.190 nan 0.000 0.475 465 Y N 3.740 124.003 120.300 -0.061 0.000 2.585 465 Y HA 0.155 4.706 4.550 0.000 0.000 0.354 465 Y C 1.314 177.279 175.900 0.109 0.000 1.024 465 Y CA -0.079 58.052 58.100 0.052 0.000 1.321 465 Y CB 0.973 39.429 38.460 -0.007 0.000 1.151 465 Y HN 0.398 nan 8.280 nan 0.000 0.525 466 V N 1.888 121.911 119.914 0.182 0.000 2.546 466 V HA -0.241 3.879 4.120 0.000 0.000 0.254 466 V C 1.321 177.482 176.094 0.112 0.000 1.076 466 V CA 2.124 64.484 62.300 0.100 0.000 1.087 466 V CB -0.664 31.170 31.823 0.018 0.000 0.674 466 V HN 0.883 nan 8.190 nan 0.000 0.470 467 T N -2.232 112.456 114.554 0.223 0.000 2.899 467 T HA 0.268 4.619 4.350 0.000 0.000 0.284 467 T C 1.112 175.909 174.700 0.163 0.000 1.004 467 T CA -0.262 61.941 62.100 0.173 0.000 1.043 467 T CB 1.505 70.504 68.868 0.219 0.000 1.013 467 T HN 0.509 nan 8.240 nan 0.000 0.518 468 K N 1.783 122.252 120.400 0.115 0.000 1.980 468 K HA -0.237 4.083 4.320 0.000 0.000 0.223 468 K C 1.642 178.300 176.600 0.097 0.000 1.052 468 K CA 1.990 58.334 56.287 0.095 0.000 0.974 468 K CB -0.939 31.606 32.500 0.075 0.000 0.734 468 K HN 0.786 nan 8.250 nan 0.000 0.447 469 D N 1.420 121.877 120.400 0.095 0.000 2.389 469 D HA -0.122 4.518 4.640 0.000 0.000 0.221 469 D C 1.804 178.138 176.300 0.057 0.000 0.974 469 D CA 0.887 54.933 54.000 0.077 0.000 0.923 469 D CB -0.095 40.749 40.800 0.073 0.000 0.892 469 D HN 0.246 nan 8.370 nan 0.000 0.518 470 V N 0.728 120.676 119.914 0.056 0.000 2.346 470 V HA -0.173 3.947 4.120 0.000 0.000 0.244 470 V C 1.935 178.021 176.094 -0.013 0.000 1.037 470 V CA 1.907 64.185 62.300 -0.038 0.000 1.029 470 V CB -0.522 31.233 31.823 -0.112 0.000 0.663 470 V HN 0.039 nan 8.190 nan 0.000 0.454 471 D N -0.416 120.019 120.400 0.059 0.000 2.137 471 D HA -0.120 4.520 4.640 0.000 0.000 0.202 471 D C 2.376 178.785 176.300 0.182 0.000 0.970 471 D CA 0.835 54.906 54.000 0.118 0.000 0.837 471 D CB -0.103 40.766 40.800 0.114 0.000 0.981 471 D HN 0.469 nan 8.370 nan 0.000 0.475 472 Q N -0.175 119.698 119.800 0.122 0.000 2.152 472 Q HA -0.097 4.244 4.340 0.000 0.000 0.206 472 Q C 2.194 178.257 176.000 0.105 0.000 0.985 472 Q CA 1.405 57.269 55.803 0.103 0.000 0.863 472 Q CB -0.268 28.515 28.738 0.075 0.000 0.904 472 Q HN 0.302 nan 8.270 nan 0.000 0.422 473 G N -0.208 108.654 108.800 0.104 0.000 2.534 473 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 473 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 473 G C 1.084 176.084 174.900 0.167 0.000 1.128 473 G CA 0.357 45.518 45.100 0.101 0.000 0.784 473 G HN 0.389 nan 8.290 nan 0.000 0.542 474 Y N 1.232 121.562 120.300 0.050 0.000 2.184 474 Y HA 0.081 4.632 4.550 0.000 0.000 0.290 474 Y C 2.346 178.333 175.900 0.145 0.000 1.129 474 Y CA 0.909 59.067 58.100 0.096 0.000 1.144 474 Y CB -0.323 38.170 38.460 0.056 0.000 0.995 474 Y HN 0.083 nan 8.280 nan 0.000 0.513 475 L N 0.063 121.280 121.223 -0.011 0.000 2.131 475 L HA -0.180 4.160 4.340 0.000 0.000 0.210 475 L C 1.764 178.593 176.870 -0.068 0.000 1.092 475 L CA 1.652 56.401 54.840 -0.153 0.000 0.759 475 L CB -0.666 41.367 42.059 -0.044 0.000 0.903 475 L HN 0.171 nan 8.230 nan 0.000 0.435 476 D N -0.319 120.097 120.400 0.026 0.000 2.219 476 D HA -0.177 4.463 4.640 0.000 0.000 0.205 476 D C 1.769 178.109 176.300 0.066 0.000 0.970 476 D CA 0.865 54.889 54.000 0.040 0.000 0.851 476 D CB -0.054 40.787 40.800 0.069 0.000 0.943 476 D HN 0.176 nan 8.370 nan 0.000 0.488 477 F N 1.007 120.925 119.950 -0.053 0.000 2.074 477 F HA 0.004 4.531 4.527 0.000 0.000 0.293 477 F C 1.812 177.567 175.800 -0.075 0.000 1.116 477 F CA 1.030 59.004 58.000 -0.044 0.000 1.212 477 F CB -0.529 38.466 39.000 -0.009 0.000 0.998 477 F HN -0.129 nan 8.300 nan 0.000 0.471 478 L N 0.115 121.113 121.223 -0.376 0.000 2.261 478 L HA -0.201 4.139 4.340 0.000 0.000 0.216 478 L C 1.095 177.770 176.870 -0.324 0.000 1.114 478 L CA 1.351 55.914 54.840 -0.461 0.000 0.777 478 L CB -0.792 41.044 42.059 -0.373 0.000 0.910 478 L HN 0.108 nan 8.230 nan 0.000 0.440 479 D N -0.806 119.461 120.400 -0.223 0.000 2.400 479 D HA -0.051 4.589 4.640 0.000 0.000 0.243 479 D C 1.466 177.685 176.300 -0.136 0.000 1.184 479 D CA 0.801 54.714 54.000 -0.145 0.000 0.853 479 D CB 0.181 40.929 40.800 -0.087 0.000 0.944 479 D HN 0.383 nan 8.370 nan 0.000 0.501 480 T N -4.085 110.346 114.554 -0.206 0.000 3.250 480 T HA 0.190 4.541 4.350 0.000 0.000 0.265 480 T C 1.203 175.798 174.700 -0.176 0.000 0.973 480 T CA -0.316 61.687 62.100 -0.161 0.000 1.040 480 T CB -0.130 68.659 68.868 -0.132 0.000 1.167 480 T HN -0.034 nan 8.240 nan 0.000 0.471 481 L N 0.000 121.057 121.223 -0.277 0.000 2.949 481 L HA 0.000 4.340 4.340 0.000 0.000 0.249 481 L CA 0.000 54.713 54.840 -0.212 0.000 0.813 481 L CB 0.000 41.889 42.059 -0.284 0.000 0.961 481 L HN 0.000 nan 8.230 nan 0.000 0.502