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 2can_1_C DATA FIRST_RESID 38 DATA SEQUENCE PTSDDIFERE YKYGAHNYHP LPVALERGKG IYLWDVEGRK YFDFLSSYSA DATA SEQUENCE VNQGHCHPKI VNALKSQVDK LTLTSRAFYN NVLGEYEEYI TKLFNYHKVL DATA SEQUENCE PMNTGVEAGE TACKLARKWG YTVKGIQKYK AKIVFAAGNF WGRTLSAISS DATA SEQUENCE STDPTSYDGF GPFMPGFDII PYNDLPALER ALQDPNVAAF MVEPIQGEAG DATA SEQUENCE VVVPDPGYLM GVRELCTRHQ VLFIADEIQT GLARTGRWLA VDYENVRPDI DATA SEQUENCE VLLGKALSGG LYPVSAVLCD DDIMLTIKPG EHGSTYGGNP LGCRVAIAAL DATA SEQUENCE EVLEEENLAE NADKLGIILR NELMKLPSDV VTAVRGKGLL NAIVIKETKD DATA SEQUENCE WDAWKVCLRL RDNGLLAKPT HGDIIRFAPP LVIKEDELRE SIEIINKTIL DATA SEQUENCE SF 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 38 P HA 0.000 nan 4.420 nan 0.000 0.216 38 P C 0.000 177.265 177.300 -0.058 0.000 1.155 38 P CA 0.000 63.080 63.100 -0.033 0.000 0.800 38 P CB 0.000 31.684 31.700 -0.026 0.000 0.726 39 T N -1.787 112.720 114.554 -0.078 0.000 2.816 39 T HA 0.450 nan 4.350 nan 0.000 0.282 39 T C 1.270 175.835 174.700 -0.225 0.000 0.993 39 T CA -1.552 60.479 62.100 -0.114 0.000 0.994 39 T CB 1.507 70.319 68.868 -0.095 0.000 1.025 39 T HN 0.052 8.539 8.240 -0.068 -0.288 0.529 40 S N 2.438 117.954 115.700 -0.307 0.000 2.387 40 S HA -0.489 nan 4.470 nan 0.000 0.230 40 S C 1.781 175.685 174.600 -1.160 0.000 1.035 40 S CA 4.192 61.984 58.200 -0.680 0.000 1.014 40 S CB -0.170 62.712 63.200 -0.530 0.000 0.836 40 S HN -0.009 8.418 8.310 -0.205 -0.240 0.466 41 D N 0.012 120.056 120.400 -0.593 0.000 2.144 41 D HA -0.225 nan 4.640 nan 0.000 0.200 41 D C 1.816 178.007 176.300 -0.181 0.000 0.978 41 D CA 3.476 57.283 54.000 -0.322 0.000 0.833 41 D CB -0.574 40.176 40.800 -0.083 0.000 0.961 41 D HN 0.240 8.380 8.370 -0.364 0.012 0.470 42 D N 0.258 120.562 120.400 -0.161 0.000 2.117 42 D HA -0.167 nan 4.640 nan 0.000 0.198 42 D C 2.459 178.739 176.300 -0.033 0.000 0.982 42 D CA 3.143 57.109 54.000 -0.056 0.000 0.828 42 D CB -0.166 40.610 40.800 -0.041 0.000 0.967 42 D HN -0.762 7.384 8.370 -0.195 0.108 0.464 43 I N 0.325 120.817 120.570 -0.130 0.000 2.163 43 I HA -0.557 nan 4.170 nan 0.000 0.243 43 I C 1.906 178.103 176.117 0.134 0.000 1.085 43 I CA 4.086 65.361 61.300 -0.041 0.000 1.347 43 I CB -0.073 37.852 38.000 -0.124 0.000 1.044 43 I HN -0.077 7.990 8.210 -0.239 0.000 0.408 44 F N -2.207 117.776 119.950 0.055 0.000 2.095 44 F HA -0.425 nan 4.527 nan 0.000 0.298 44 F C 2.446 178.298 175.800 0.086 0.000 1.104 44 F CA 0.849 58.884 58.000 0.057 0.000 1.232 44 F CB -1.492 37.523 39.000 0.024 0.000 0.987 44 F HN 0.039 8.110 8.300 -0.383 0.000 0.475 45 E N -0.577 119.774 120.200 0.252 0.000 2.077 45 E HA -0.441 nan 4.350 nan 0.000 0.193 45 E C 2.407 179.132 176.600 0.207 0.000 0.989 45 E CA 3.068 59.576 56.400 0.179 0.000 0.800 45 E CB -0.122 29.642 29.700 0.106 0.000 0.746 45 E HN -0.273 8.207 8.360 0.199 0.000 0.452 46 R N -0.888 119.734 120.500 0.204 0.000 2.073 46 R HA -0.329 nan 4.340 nan 0.000 0.234 46 R C 2.335 178.814 176.300 0.298 0.000 1.134 46 R CA 3.291 59.549 56.100 0.263 0.000 0.952 46 R CB -0.083 30.361 30.300 0.239 0.000 0.850 46 R HN -0.105 8.269 8.270 0.174 0.000 0.433 47 E N -1.083 119.276 120.200 0.265 0.000 2.110 47 E HA -0.382 nan 4.350 nan 0.000 0.193 47 E C 2.333 179.081 176.600 0.246 0.000 0.988 47 E CA 2.919 59.468 56.400 0.249 0.000 0.804 47 E CB -0.210 29.623 29.700 0.221 0.000 0.745 47 E HN -0.565 7.946 8.360 0.252 0.000 0.458 48 Y N -1.342 119.032 120.300 0.122 0.000 2.256 48 Y HA -0.353 nan 4.550 nan 0.000 0.288 48 Y C 0.230 176.229 175.900 0.165 0.000 1.155 48 Y CA 3.168 61.332 58.100 0.106 0.000 1.203 48 Y CB 0.141 38.610 38.460 0.016 0.000 0.980 48 Y HN -0.505 7.990 8.280 0.359 0.000 0.530 49 K N -3.616 116.816 120.400 0.054 0.000 2.166 49 K HA -0.178 nan 4.320 nan 0.000 0.201 49 K C 1.348 177.674 176.600 -0.457 0.000 1.052 49 K CA 1.491 57.609 56.287 -0.280 0.000 0.969 49 K CB 0.672 32.854 32.500 -0.531 0.000 0.761 49 K HN -0.657 7.527 8.250 0.120 0.138 0.459 50 Y N -3.974 116.375 120.300 0.082 0.000 2.467 50 Y HA 0.150 nan 4.550 nan 0.000 0.250 50 Y C 0.096 176.021 175.900 0.041 0.000 1.155 50 Y CA -0.427 57.702 58.100 0.048 0.000 1.249 50 Y CB 1.020 39.510 38.460 0.051 0.000 1.146 50 Y HN -0.522 7.771 8.280 0.023 0.000 0.524 51 G N -1.446 107.448 108.800 0.156 0.000 2.519 51 G HA2 0.240 nan 3.960 nan 0.000 0.307 51 G HA3 0.240 nan 3.960 nan 0.000 0.307 51 G C -2.111 172.846 174.900 0.094 0.000 1.266 51 G CA -1.275 43.904 45.100 0.132 0.000 0.970 51 G HN -0.510 7.861 8.290 0.135 0.000 0.481 52 A N -0.292 122.570 122.820 0.070 0.000 2.483 52 A HA -0.162 nan 4.320 nan 0.000 0.238 52 A C 0.105 177.804 177.584 0.191 0.000 1.070 52 A CA 0.273 52.323 52.037 0.022 0.000 0.770 52 A CB 0.411 19.433 19.000 0.036 0.000 1.008 52 A HN 0.148 8.346 8.150 0.081 0.000 0.497 53 H N 1.084 120.139 119.070 -0.024 0.000 2.704 53 H HA 0.074 nan 4.556 nan 0.000 0.315 53 H C -0.038 175.315 175.328 0.042 0.000 1.117 53 H CA -1.192 54.856 56.048 0.001 0.000 1.129 53 H CB -1.825 27.895 29.762 -0.070 0.000 1.439 53 H HN 0.263 8.492 8.280 -0.085 0.000 0.528 54 N N -1.348 117.452 118.700 0.168 0.000 2.571 54 N HA -0.209 nan 4.740 nan 0.000 0.189 54 N C -0.730 174.730 175.510 -0.083 0.000 1.154 54 N CA 0.936 54.006 53.050 0.033 0.000 0.907 54 N CB -0.230 38.249 38.487 -0.012 0.000 0.977 54 N HN -0.009 8.390 8.380 0.189 0.095 0.449 55 Y N -2.041 118.318 120.300 0.098 0.000 2.581 55 Y HA 0.120 nan 4.550 nan 0.000 0.345 55 Y C -1.353 174.630 175.900 0.137 0.000 1.036 55 Y CA -0.537 57.621 58.100 0.097 0.000 1.042 55 Y CB 3.010 41.522 38.460 0.087 0.000 1.289 55 Y HN -0.903 7.472 8.280 0.300 0.085 0.471 56 H N 4.227 123.418 119.070 0.201 0.000 2.761 56 H HA 0.354 nan 4.556 nan 0.000 0.263 56 H C -2.385 173.041 175.328 0.163 0.000 1.292 56 H CA -2.091 54.010 56.048 0.088 0.000 1.540 56 H CB 0.830 30.560 29.762 -0.052 0.000 1.569 56 H HN 0.256 8.761 8.280 0.375 0.000 0.510 57 P HA 0.040 nan 4.420 nan 0.000 0.274 57 P C -1.372 175.878 177.300 -0.083 0.000 1.237 57 P CA -0.818 62.262 63.100 -0.033 0.000 0.793 57 P CB 0.794 32.447 31.700 -0.077 0.000 0.977 58 L N 2.153 123.324 121.223 -0.087 0.000 2.455 58 L HA 0.149 nan 4.340 nan 0.000 0.272 58 L C -1.565 175.129 176.870 -0.293 0.000 1.174 58 L CA -2.117 52.556 54.840 -0.280 0.000 0.869 58 L CB -0.046 41.801 42.059 -0.353 0.000 1.130 58 L HN 0.101 8.292 8.230 -0.066 0.000 0.474 59 P HA 0.039 nan 4.420 nan 0.000 0.262 59 P C -1.818 175.435 177.300 -0.078 0.000 1.455 59 P CA 0.196 63.014 63.100 -0.471 0.000 1.217 59 P CB -1.866 29.594 31.700 -0.399 0.000 1.625 60 V N -3.127 116.808 119.914 0.034 0.000 2.777 60 V HA 0.407 nan 4.120 nan 0.000 0.306 60 V C -1.696 174.529 176.094 0.219 0.000 1.112 60 V CA -1.870 60.495 62.300 0.109 0.000 0.917 60 V CB 3.204 34.909 31.823 -0.197 0.000 1.018 60 V HN -0.265 7.859 8.190 -0.071 0.023 0.426 61 A N 6.033 128.976 122.820 0.204 0.000 2.508 61 A HA 0.493 nan 4.320 nan 0.000 0.336 61 A C -1.482 176.148 177.584 0.078 0.000 1.360 61 A CA -1.318 50.803 52.037 0.140 0.000 0.841 61 A CB 0.166 19.177 19.000 0.018 0.000 1.136 61 A HN 0.363 8.610 8.150 0.162 0.000 0.489 62 L N 1.624 122.882 121.223 0.058 0.000 2.439 62 L HA 0.166 nan 4.340 nan 0.000 0.261 62 L C 0.611 177.526 176.870 0.076 0.000 1.153 62 L CA -0.326 54.554 54.840 0.068 0.000 0.808 62 L CB -0.172 41.902 42.059 0.026 0.000 1.126 62 L HN 0.241 8.499 8.230 0.046 0.000 0.460 63 E N 0.181 120.443 120.200 0.102 0.000 2.679 63 E HA 0.143 nan 4.350 nan 0.000 0.221 63 E C -0.571 176.083 176.600 0.089 0.000 0.928 63 E CA -0.244 56.204 56.400 0.080 0.000 1.296 63 E CB 2.270 32.007 29.700 0.061 0.000 1.235 63 E HN 0.504 8.951 8.360 0.145 0.000 0.622 64 R N -0.004 120.584 120.500 0.147 0.000 2.629 64 R HA 0.361 nan 4.340 nan 0.000 0.266 64 R C -2.460 174.020 176.300 0.300 0.000 1.051 64 R CA 0.330 56.532 56.100 0.170 0.000 0.895 64 R CB 3.790 34.142 30.300 0.087 0.000 1.246 64 R HN -0.746 7.635 8.270 0.185 0.000 0.459 65 G N 1.339 110.288 108.800 0.247 0.000 2.759 65 G HA2 0.375 nan 3.960 nan 0.000 0.297 65 G HA3 0.375 nan 3.960 nan 0.000 0.297 65 G C -2.643 172.436 174.900 0.298 0.000 1.434 65 G CA 0.506 45.708 45.100 0.170 0.000 0.980 65 G HN 0.101 8.505 8.290 0.190 0.000 0.531 66 K N 3.770 124.421 120.400 0.418 0.000 2.553 66 K HA 0.501 nan 4.320 nan 0.000 0.250 66 K C -0.119 176.679 176.600 0.329 0.000 0.953 66 K CA -2.278 54.237 56.287 0.380 0.000 0.800 66 K CB 2.093 34.834 32.500 0.402 0.000 1.243 66 K HN 0.483 8.965 8.250 0.387 0.000 0.435 67 G N 6.944 115.902 108.800 0.264 0.000 2.622 67 G HA2 -0.431 nan 3.960 nan 0.000 0.307 67 G HA3 -0.431 nan 3.960 nan 0.000 0.307 67 G C -0.161 174.832 174.900 0.155 0.000 1.226 67 G CA 1.651 46.862 45.100 0.186 0.000 0.997 67 G HN 0.330 8.773 8.290 0.255 0.000 0.551 68 I N -0.901 119.645 120.570 -0.041 0.000 3.793 68 I HA 0.316 nan 4.170 nan 0.000 0.315 68 I C -1.024 174.878 176.117 -0.358 0.000 1.275 68 I CA -0.281 60.911 61.300 -0.180 0.000 1.214 68 I CB -0.015 37.807 38.000 -0.297 0.000 1.018 68 I HN -0.085 8.078 8.210 -0.078 0.000 0.439 69 Y N -0.908 119.312 120.300 -0.133 0.000 2.457 69 Y HA 0.618 nan 4.550 nan 0.000 0.333 69 Y C -1.680 173.892 175.900 -0.546 0.000 1.119 69 Y CA -1.292 56.520 58.100 -0.479 0.000 1.143 69 Y CB 2.546 40.477 38.460 -0.882 0.000 1.230 69 Y HN -0.254 7.945 8.280 -0.015 0.073 0.469 70 L N -1.011 119.961 121.223 -0.419 0.000 2.436 70 L HA 0.592 nan 4.340 nan 0.000 0.268 70 L C -1.848 174.912 176.870 -0.183 0.000 0.974 70 L CA -0.771 53.930 54.840 -0.232 0.000 0.826 70 L CB 4.064 46.032 42.059 -0.152 0.000 1.291 70 L HN 0.406 8.413 8.230 -0.371 0.000 0.406 71 W N 1.470 122.822 121.300 0.087 0.000 2.529 71 W HA 0.429 nan 4.660 nan 0.000 0.321 71 W C -0.997 175.595 176.519 0.122 0.000 1.047 71 W CA -1.151 56.255 57.345 0.103 0.000 1.216 71 W CB 3.034 32.500 29.460 0.009 0.000 1.357 71 W HN 1.124 9.480 8.180 0.473 0.108 0.489 72 D N 0.955 121.587 120.400 0.386 0.000 2.478 72 D HA 0.381 nan 4.640 nan 0.000 0.269 72 D C 1.921 178.327 176.300 0.176 0.000 1.232 72 D CA -1.359 52.797 54.000 0.260 0.000 1.059 72 D CB 0.788 41.769 40.800 0.302 0.000 1.104 72 D HN 0.411 9.040 8.370 0.433 0.000 0.566 73 V N -8.474 111.501 119.914 0.101 0.000 3.078 73 V HA -0.073 nan 4.120 nan 0.000 0.265 73 V C 0.921 177.040 176.094 0.042 0.000 1.122 73 V CA 2.509 64.840 62.300 0.051 0.000 1.141 73 V CB -0.865 30.959 31.823 0.002 0.000 0.735 73 V HN -0.087 8.154 8.190 0.086 0.000 0.498 74 E N 0.385 120.623 120.200 0.063 0.000 2.463 74 E HA 0.159 nan 4.350 nan 0.000 0.193 74 E C 0.354 176.984 176.600 0.051 0.000 1.041 74 E CA -0.633 55.792 56.400 0.042 0.000 0.879 74 E CB -0.015 29.709 29.700 0.039 0.000 0.997 74 E HN -0.306 8.271 8.360 0.093 -0.162 0.478 75 G N -1.539 107.315 108.800 0.090 0.000 2.199 75 G HA2 -0.508 nan 3.960 nan 0.000 0.254 75 G HA3 -0.508 nan 3.960 nan 0.000 0.254 75 G C -0.239 174.753 174.900 0.154 0.000 0.982 75 G CA 0.285 45.452 45.100 0.112 0.000 0.632 75 G HN -0.299 7.915 8.290 0.112 0.143 0.529 76 R N 0.278 120.817 120.500 0.066 0.000 2.522 76 R HA -0.134 nan 4.340 nan 0.000 0.284 76 R C -1.119 175.009 176.300 -0.286 0.000 1.032 76 R CA 0.313 56.329 56.100 -0.140 0.000 1.049 76 R CB 0.765 30.932 30.300 -0.222 0.000 0.956 76 R HN -0.489 7.922 8.270 0.081 -0.093 0.422 77 K N 3.403 123.516 120.400 -0.479 0.000 2.118 77 K HA 0.336 nan 4.320 nan 0.000 0.267 77 K C -0.985 175.135 176.600 -0.799 0.000 0.991 77 K CA -0.742 55.104 56.287 -0.736 0.000 0.916 77 K CB 1.577 33.696 32.500 -0.636 0.000 1.041 77 K HN -0.007 8.009 8.250 -0.390 0.000 0.455 78 Y N 0.584 120.638 120.300 -0.411 0.000 2.562 78 Y HA 0.202 nan 4.550 nan 0.000 0.345 78 Y C -1.025 174.816 175.900 -0.100 0.000 1.045 78 Y CA -1.462 56.540 58.100 -0.163 0.000 1.028 78 Y CB 3.992 42.401 38.460 -0.086 0.000 1.297 78 Y HN 0.400 8.381 8.280 -0.499 0.000 0.463 79 F N 1.137 121.218 119.950 0.217 0.000 2.410 79 F HA 0.182 nan 4.527 nan 0.000 0.348 79 F C -0.995 174.929 175.800 0.207 0.000 1.106 79 F CA 0.255 58.349 58.000 0.156 0.000 1.163 79 F CB 1.559 40.681 39.000 0.203 0.000 1.129 79 F HN 0.548 9.024 8.300 0.477 0.111 0.516 80 D N 4.643 125.231 120.400 0.313 0.000 2.396 80 D HA 0.147 nan 4.640 nan 0.000 0.225 80 D C -0.817 175.639 176.300 0.261 0.000 1.121 80 D CA -1.218 52.925 54.000 0.239 0.000 0.853 80 D CB 0.683 41.586 40.800 0.170 0.000 1.043 80 D HN 0.293 8.777 8.370 0.190 0.000 0.500 81 F N 4.815 124.819 119.950 0.090 0.000 2.850 81 F HA 0.216 nan 4.527 nan 0.000 0.306 81 F C -0.951 174.878 175.800 0.048 0.000 1.162 81 F CA -0.645 57.419 58.000 0.105 0.000 1.327 81 F CB 0.565 39.691 39.000 0.210 0.000 0.953 81 F HN 0.549 9.096 8.300 0.413 0.000 0.507 82 L N -0.657 120.601 121.223 0.059 0.000 2.885 82 L HA 0.297 nan 4.340 nan 0.000 0.251 82 L C -0.693 176.123 176.870 -0.090 0.000 1.071 82 L CA 0.007 54.815 54.840 -0.053 0.000 0.956 82 L CB 2.197 44.166 42.059 -0.149 0.000 1.483 82 L HN -0.395 8.009 8.230 0.063 -0.136 0.525 83 S N -0.392 115.274 115.700 -0.057 0.000 3.533 83 S HA -0.433 nan 4.470 nan 0.000 0.347 83 S C -0.691 173.852 174.600 -0.095 0.000 1.101 83 S CA 0.802 58.957 58.200 -0.076 0.000 1.009 83 S CB -1.489 61.663 63.200 -0.082 0.000 0.916 83 S HN -0.529 8.093 8.310 -0.009 -0.318 0.496 84 S N -1.573 114.047 115.700 -0.133 0.000 3.628 84 S HA -0.424 nan 4.470 nan 0.000 0.373 84 S C -0.093 174.487 174.600 -0.032 0.000 0.968 84 S CA 0.640 58.751 58.200 -0.148 0.000 1.215 84 S CB -1.217 61.960 63.200 -0.039 0.000 0.912 84 S HN 0.388 8.595 8.310 -0.138 0.020 0.495 85 Y N -3.455 116.846 120.300 0.002 0.000 3.589 85 Y HA -0.389 nan 4.550 nan 0.000 0.218 85 Y C -0.420 175.485 175.900 0.008 0.000 1.234 85 Y CA 0.361 58.462 58.100 0.001 0.000 1.576 85 Y CB -2.997 35.467 38.460 0.007 0.000 1.487 85 Y HN -0.100 7.942 8.280 -0.396 0.000 0.616 86 S N -4.318 111.433 115.700 0.086 0.000 3.315 86 S HA -0.465 nan 4.470 nan 0.000 0.283 86 S C -0.625 174.006 174.600 0.051 0.000 1.279 86 S CA 0.425 58.660 58.200 0.057 0.000 0.984 86 S CB -0.311 62.937 63.200 0.079 0.000 1.184 86 S HN -0.278 7.947 8.310 0.025 0.100 0.653 87 A N -0.810 122.037 122.820 0.045 0.000 1.935 87 A HA 0.001 nan 4.320 nan 0.000 0.214 87 A C 0.791 178.368 177.584 -0.011 0.000 1.178 87 A CA 2.118 54.177 52.037 0.037 0.000 0.640 87 A CB 0.567 19.599 19.000 0.054 0.000 0.825 87 A HN -0.284 7.744 8.150 0.045 0.149 0.447 88 V N -5.212 114.655 119.914 -0.079 0.000 2.584 88 V HA 0.296 nan 4.120 nan 0.000 0.319 88 V C -0.102 175.929 176.094 -0.105 0.000 1.363 88 V CA -2.186 60.028 62.300 -0.143 0.000 1.518 88 V CB -2.960 28.628 31.823 -0.391 0.000 1.514 88 V HN -0.328 7.810 8.190 -0.085 0.000 0.553 89 N N 4.018 122.691 118.700 -0.046 0.000 2.223 89 N HA -0.244 nan 4.740 nan 0.000 0.185 89 N C 1.160 176.650 175.510 -0.033 0.000 1.016 89 N CA 3.268 56.297 53.050 -0.036 0.000 0.863 89 N CB -0.256 38.225 38.487 -0.011 0.000 0.983 89 N HN -0.243 8.056 8.380 -0.022 0.067 0.429 90 Q N -3.236 116.550 119.800 -0.023 0.000 2.365 90 Q HA -0.017 nan 4.340 nan 0.000 0.203 90 Q C 0.128 176.179 176.000 0.085 0.000 0.929 90 Q CA -0.529 55.273 55.803 -0.002 0.000 0.948 90 Q CB -0.413 28.275 28.738 -0.083 0.000 1.043 90 Q HN -0.027 8.202 8.270 -0.024 0.027 0.505 91 G N -2.450 106.367 108.800 0.029 0.000 2.705 91 G HA2 -0.375 nan 3.960 nan 0.000 0.686 91 G HA3 -0.375 nan 3.960 nan 0.000 0.686 91 G C -0.854 174.092 174.900 0.077 0.000 1.285 91 G CA -0.553 44.588 45.100 0.069 0.000 0.800 91 G HN -0.526 7.549 8.290 -0.030 0.197 0.611 92 H N 0.604 119.733 119.070 0.098 0.000 2.897 92 H HA -0.129 nan 4.556 nan 0.000 0.347 92 H C 1.499 176.906 175.328 0.132 0.000 1.068 92 H CA 1.496 57.612 56.048 0.113 0.000 1.426 92 H CB 0.627 30.461 29.762 0.120 0.000 1.410 92 H HN 0.096 8.478 8.280 0.336 0.099 0.597 93 C N 1.603 121.040 119.300 0.229 0.000 3.744 93 C HA -0.349 nan 4.460 nan 0.000 0.290 93 C C -0.025 175.063 174.990 0.163 0.000 1.385 93 C CA 0.304 59.428 59.018 0.178 0.000 2.099 93 C CB -2.895 24.940 27.740 0.158 0.000 1.359 93 C HN 1.078 9.430 8.230 0.203 0.000 0.629 94 H N 3.941 123.067 119.070 0.093 0.000 3.046 94 H HA -0.009 nan 4.556 nan 0.000 0.303 94 H C -0.560 174.811 175.328 0.071 0.000 1.002 94 H CA 0.413 56.508 56.048 0.079 0.000 1.460 94 H CB 0.579 30.381 29.762 0.066 0.000 1.493 94 H HN -0.248 8.190 8.280 0.262 0.000 0.559 95 P HA -0.388 nan 4.420 nan 0.000 0.217 95 P C 1.422 178.783 177.300 0.102 0.000 1.158 95 P CA 3.143 66.217 63.100 -0.044 0.000 0.887 95 P CB 0.203 31.818 31.700 -0.141 0.000 0.792 96 K N -2.526 118.035 120.400 0.267 0.000 2.097 96 K HA -0.214 nan 4.320 nan 0.000 0.206 96 K C 2.564 179.283 176.600 0.199 0.000 1.049 96 K CA 2.990 59.433 56.287 0.259 0.000 0.933 96 K CB -0.222 32.471 32.500 0.321 0.000 0.717 96 K HN -0.711 7.696 8.250 0.263 0.000 0.442 97 I N -0.954 119.764 120.570 0.246 0.000 2.286 97 I HA -0.370 nan 4.170 nan 0.000 0.245 97 I C 1.639 177.828 176.117 0.120 0.000 1.104 97 I CA 3.478 64.865 61.300 0.145 0.000 1.397 97 I CB 0.138 38.216 38.000 0.130 0.000 1.072 97 I HN -0.614 7.848 8.210 0.420 0.000 0.417 98 V N 0.897 120.889 119.914 0.131 0.000 2.407 98 V HA -0.536 nan 4.120 nan 0.000 0.248 98 V C 1.980 178.118 176.094 0.074 0.000 1.055 98 V CA 4.901 67.259 62.300 0.097 0.000 1.049 98 V CB -1.188 30.687 31.823 0.087 0.000 0.662 98 V HN 0.248 8.539 8.190 0.168 0.000 0.455 99 N N -0.726 118.018 118.700 0.074 0.000 2.120 99 N HA -0.268 nan 4.740 nan 0.000 0.188 99 N C 2.027 177.565 175.510 0.048 0.000 1.024 99 N CA 3.093 56.176 53.050 0.055 0.000 0.852 99 N CB -0.791 37.728 38.487 0.054 0.000 1.003 99 N HN 0.091 8.519 8.380 0.090 0.006 0.424 100 A N 0.120 122.972 122.820 0.053 0.000 1.933 100 A HA -0.213 nan 4.320 nan 0.000 0.218 100 A C 2.104 179.704 177.584 0.027 0.000 1.175 100 A CA 2.868 54.927 52.037 0.037 0.000 0.628 100 A CB -0.623 18.401 19.000 0.039 0.000 0.814 100 A HN -0.600 7.512 8.150 0.069 0.079 0.444 101 L N -1.425 119.821 121.223 0.039 0.000 2.005 101 L HA -0.327 nan 4.340 nan 0.000 0.207 101 L C 1.726 178.619 176.870 0.039 0.000 1.072 101 L CA 3.079 57.942 54.840 0.038 0.000 0.744 101 L CB -0.243 41.857 42.059 0.068 0.000 0.895 101 L HN -0.269 7.993 8.230 0.054 0.000 0.433 102 K N -2.457 117.970 120.400 0.044 0.000 2.152 102 K HA -0.438 nan 4.320 nan 0.000 0.206 102 K C 2.478 179.096 176.600 0.029 0.000 1.048 102 K CA 3.381 59.691 56.287 0.038 0.000 0.933 102 K CB -0.404 32.118 32.500 0.036 0.000 0.721 102 K HN -0.093 8.186 8.250 0.049 0.000 0.447 103 S N -1.158 114.558 115.700 0.026 0.000 2.335 103 S HA -0.237 nan 4.470 nan 0.000 0.217 103 S C 2.353 176.963 174.600 0.016 0.000 1.032 103 S CA 2.673 60.885 58.200 0.020 0.000 0.985 103 S CB 0.055 63.266 63.200 0.018 0.000 0.896 103 S HN -0.270 8.038 8.310 0.029 0.019 0.445 104 Q N 1.877 121.684 119.800 0.012 0.000 2.170 104 Q HA -0.225 nan 4.340 nan 0.000 0.203 104 Q C 2.066 178.074 176.000 0.013 0.000 0.976 104 Q CA 2.540 58.346 55.803 0.005 0.000 0.858 104 Q CB -0.106 28.625 28.738 -0.013 0.000 0.907 104 Q HN -0.442 7.834 8.270 0.011 0.000 0.433 105 V N -5.327 114.600 119.914 0.023 0.000 2.688 105 V HA -0.242 nan 4.120 nan 0.000 0.256 105 V C 1.307 177.420 176.094 0.031 0.000 1.084 105 V CA 2.823 65.144 62.300 0.035 0.000 1.103 105 V CB -1.335 30.517 31.823 0.048 0.000 0.688 105 V HN -0.208 7.996 8.190 0.024 0.000 0.480 106 D N -0.396 120.019 120.400 0.025 0.000 2.323 106 D HA -0.002 nan 4.640 nan 0.000 0.209 106 D C 0.816 177.127 176.300 0.018 0.000 0.973 106 D CA 1.739 55.752 54.000 0.021 0.000 0.874 106 D CB 0.261 41.071 40.800 0.018 0.000 0.930 106 D HN -0.250 8.090 8.370 0.022 0.044 0.521 107 K N -1.686 118.724 120.400 0.017 0.000 2.157 107 K HA 0.096 nan 4.320 nan 0.000 0.207 107 K C -0.109 176.501 176.600 0.017 0.000 1.030 107 K CA 1.104 57.400 56.287 0.014 0.000 0.965 107 K CB 2.087 34.594 32.500 0.012 0.000 0.877 107 K HN -0.480 7.616 8.250 0.017 0.164 0.460 108 L N -3.475 117.759 121.223 0.018 0.000 2.612 108 L HA 0.117 nan 4.340 nan 0.000 0.256 108 L C -1.765 175.119 176.870 0.023 0.000 0.949 108 L CA -0.347 54.506 54.840 0.022 0.000 0.867 108 L CB 2.585 44.657 42.059 0.021 0.000 1.417 108 L HN -0.410 7.830 8.230 0.016 0.000 0.414 109 T N -3.167 111.407 114.554 0.034 0.000 3.115 109 T HA 0.134 nan 4.350 nan 0.000 0.256 109 T C -1.427 173.300 174.700 0.045 0.000 0.970 109 T CA 0.108 62.237 62.100 0.049 0.000 1.010 109 T CB 1.326 70.251 68.868 0.095 0.000 1.151 109 T HN 0.046 8.308 8.240 0.036 0.000 0.479 110 L N 0.394 121.631 121.223 0.024 0.000 2.543 110 L HA 0.292 nan 4.340 nan 0.000 0.265 110 L C -1.106 175.755 176.870 -0.016 0.000 0.945 110 L CA 0.750 55.572 54.840 -0.030 0.000 0.869 110 L CB 2.266 44.250 42.059 -0.126 0.000 1.294 110 L HN -0.566 7.681 8.230 0.030 0.000 0.405 111 T N 2.958 117.511 114.554 -0.001 0.000 2.958 111 T HA 0.199 nan 4.350 nan 0.000 0.256 111 T C -0.540 174.171 174.700 0.018 0.000 0.983 111 T CA -0.709 61.439 62.100 0.080 0.000 0.924 111 T CB -0.151 68.811 68.868 0.156 0.000 1.136 111 T HN 0.279 8.509 8.240 -0.016 0.000 0.506 112 S N 1.473 117.123 115.700 -0.083 0.000 3.661 112 S HA -0.231 nan 4.470 nan 0.000 0.772 112 S C 0.793 175.304 174.600 -0.148 0.000 1.194 112 S CA 0.884 58.992 58.200 -0.153 0.000 1.148 112 S CB -0.199 62.881 63.200 -0.200 0.000 0.564 112 S HN -0.472 7.787 8.310 -0.085 0.000 0.482 113 R N 1.920 122.318 120.500 -0.171 0.000 2.325 113 R HA 0.006 nan 4.340 nan 0.000 0.214 113 R C 0.359 176.498 176.300 -0.268 0.000 0.961 113 R CA 0.658 56.646 56.100 -0.187 0.000 1.086 113 R CB -0.850 29.357 30.300 -0.156 0.000 1.037 113 R HN 0.568 8.739 8.270 -0.166 0.000 0.493 114 A N -0.649 121.949 122.820 -0.370 0.000 2.014 114 A HA -0.099 nan 4.320 nan 0.000 0.218 114 A C -0.689 176.567 177.584 -0.547 0.000 1.163 114 A CA 1.779 53.493 52.037 -0.538 0.000 0.652 114 A CB 0.564 19.082 19.000 -0.803 0.000 0.808 114 A HN -0.355 7.481 8.150 -0.369 0.093 0.449 115 F N -5.372 114.530 119.950 -0.079 0.000 2.611 115 F HA 0.289 nan 4.527 nan 0.000 0.324 115 F C -0.869 174.905 175.800 -0.043 0.000 1.061 115 F CA -2.149 55.843 58.000 -0.014 0.000 0.954 115 F CB 2.114 41.131 39.000 0.027 0.000 1.301 115 F HN -0.774 7.336 8.300 -0.262 0.033 0.482 116 Y N 0.414 120.840 120.300 0.210 0.000 2.354 116 Y HA 0.011 nan 4.550 nan 0.000 0.322 116 Y C -0.031 175.928 175.900 0.099 0.000 1.253 116 Y CA 0.391 58.560 58.100 0.115 0.000 1.272 116 Y CB 0.814 39.324 38.460 0.082 0.000 1.255 116 Y HN 0.177 8.810 8.280 0.589 0.000 0.500 117 N N -0.517 118.330 118.700 0.245 0.000 2.380 117 N HA 0.141 nan 4.740 nan 0.000 0.290 117 N C -0.409 175.182 175.510 0.135 0.000 1.236 117 N CA -1.446 51.693 53.050 0.149 0.000 0.780 117 N CB 2.329 40.875 38.487 0.098 0.000 1.438 117 N HN -0.261 8.275 8.380 0.261 0.000 0.491 118 N N -2.245 116.507 118.700 0.087 0.000 2.409 118 N HA -0.161 nan 4.740 nan 0.000 0.179 118 N C 1.088 176.640 175.510 0.071 0.000 1.032 118 N CA 1.327 54.419 53.050 0.069 0.000 0.898 118 N CB -0.184 38.328 38.487 0.041 0.000 0.971 118 N HN 0.238 8.661 8.380 0.072 0.000 0.441 119 V N 0.131 120.086 119.914 0.069 0.000 2.346 119 V HA -0.144 nan 4.120 nan 0.000 0.244 119 V C 1.808 177.970 176.094 0.115 0.000 1.037 119 V CA 2.526 64.869 62.300 0.071 0.000 1.029 119 V CB -0.466 31.379 31.823 0.038 0.000 0.663 119 V HN -0.364 8.028 8.190 0.064 -0.164 0.454 120 L N 0.188 121.482 121.223 0.119 0.000 2.010 120 L HA -0.441 nan 4.340 nan 0.000 0.219 120 L C 1.661 178.657 176.870 0.209 0.000 1.077 120 L CA 3.371 58.313 54.840 0.171 0.000 0.773 120 L CB -0.633 41.508 42.059 0.136 0.000 0.892 120 L HN 0.136 8.781 8.230 0.096 -0.357 0.436 121 G N -4.913 103.985 108.800 0.164 0.000 2.448 121 G HA2 -0.457 nan 3.960 nan 0.000 0.219 121 G HA3 -0.457 nan 3.960 nan 0.000 0.219 121 G C 0.949 175.921 174.900 0.119 0.000 1.127 121 G CA 1.873 47.054 45.100 0.136 0.000 0.766 121 G HN 0.360 8.744 8.290 0.157 0.000 0.552 122 E N 2.859 123.137 120.200 0.130 0.000 2.047 122 E HA -0.284 nan 4.350 nan 0.000 0.191 122 E C 1.452 178.157 176.600 0.175 0.000 0.987 122 E CA 2.567 59.036 56.400 0.116 0.000 0.799 122 E CB -0.068 29.687 29.700 0.092 0.000 0.752 122 E HN -0.468 7.844 8.360 0.133 0.128 0.449 123 Y N 0.257 120.617 120.300 0.100 0.000 2.145 123 Y HA -0.476 nan 4.550 nan 0.000 0.286 123 Y C 1.767 177.757 175.900 0.151 0.000 1.145 123 Y CA 3.142 61.331 58.100 0.148 0.000 1.148 123 Y CB -0.011 38.513 38.460 0.106 0.000 0.981 123 Y HN -0.423 8.042 8.280 0.309 0.000 0.507 124 E N -1.974 118.185 120.200 -0.068 0.000 2.049 124 E HA -0.574 nan 4.350 nan 0.000 0.198 124 E C 2.140 178.671 176.600 -0.115 0.000 1.007 124 E CA 3.406 59.705 56.400 -0.169 0.000 0.809 124 E CB -0.489 29.221 29.700 0.016 0.000 0.749 124 E HN 0.071 8.540 8.360 0.182 0.000 0.450 125 E N -0.839 119.357 120.200 -0.008 0.000 2.077 125 E HA -0.347 nan 4.350 nan 0.000 0.193 125 E C 2.233 178.856 176.600 0.038 0.000 0.989 125 E CA 2.811 59.221 56.400 0.018 0.000 0.800 125 E CB 0.002 29.727 29.700 0.042 0.000 0.746 125 E HN -0.614 7.765 8.360 0.032 0.000 0.452 126 Y N 0.379 120.617 120.300 -0.103 0.000 2.089 126 Y HA -0.302 nan 4.550 nan 0.000 0.282 126 Y C 1.770 177.578 175.900 -0.153 0.000 1.139 126 Y CA 2.113 60.149 58.100 -0.106 0.000 1.123 126 Y CB 0.078 38.503 38.460 -0.058 0.000 0.980 126 Y HN -0.613 7.754 8.280 0.145 0.000 0.493 127 I N -1.951 118.383 120.570 -0.393 0.000 2.315 127 I HA -0.532 nan 4.170 nan 0.000 0.248 127 I C 1.390 177.412 176.117 -0.160 0.000 1.117 127 I CA 3.336 64.389 61.300 -0.413 0.000 1.404 127 I CB 0.042 37.757 38.000 -0.475 0.000 1.071 127 I HN 0.262 8.268 8.210 -0.341 0.000 0.419 128 T N -0.796 113.683 114.554 -0.125 0.000 2.777 128 T HA -0.323 nan 4.350 nan 0.000 0.266 128 T C 2.155 176.840 174.700 -0.024 0.000 1.040 128 T CA 3.976 66.070 62.100 -0.010 0.000 1.141 128 T CB -0.739 68.134 68.868 0.008 0.000 0.868 128 T HN 0.073 8.217 8.240 -0.160 0.000 0.444 129 K N 1.126 121.478 120.400 -0.080 0.000 2.103 129 K HA -0.204 nan 4.320 nan 0.000 0.204 129 K C 1.981 178.457 176.600 -0.207 0.000 1.052 129 K CA 2.470 58.699 56.287 -0.098 0.000 0.945 129 K CB -0.233 32.235 32.500 -0.053 0.000 0.722 129 K HN -0.593 7.611 8.250 -0.078 0.000 0.443 130 L N -0.927 120.082 121.223 -0.356 0.000 2.012 130 L HA -0.251 nan 4.340 nan 0.000 0.210 130 L C 1.228 177.631 176.870 -0.778 0.000 1.073 130 L CA 2.980 57.419 54.840 -0.669 0.000 0.748 130 L CB 0.285 41.714 42.059 -1.051 0.000 0.891 130 L HN -0.289 7.736 8.230 -0.342 0.000 0.431 131 F N -5.835 113.916 119.950 -0.331 0.000 2.776 131 F HA 0.080 nan 4.527 nan 0.000 0.300 131 F C -0.397 175.282 175.800 -0.202 0.000 1.116 131 F CA 0.486 58.355 58.000 -0.219 0.000 1.375 131 F CB 0.328 39.280 39.000 -0.081 0.000 1.109 131 F HN -0.502 7.691 8.300 -0.178 0.000 0.585 132 N N -1.289 117.352 118.700 -0.097 0.000 2.725 132 N HA -0.403 nan 4.740 nan 0.000 0.256 132 N C -1.855 173.408 175.510 -0.412 0.000 1.087 132 N CA 0.755 53.676 53.050 -0.215 0.000 0.690 132 N CB -0.611 37.717 38.487 -0.266 0.000 0.891 132 N HN -0.311 7.843 8.380 -0.102 0.165 0.553 133 Y N -2.304 117.979 120.300 -0.028 0.000 2.581 133 Y HA 0.428 nan 4.550 nan 0.000 0.345 133 Y C 0.339 176.270 175.900 0.050 0.000 1.036 133 Y CA -1.188 56.877 58.100 -0.058 0.000 1.042 133 Y CB 2.693 41.103 38.460 -0.083 0.000 1.289 133 Y HN -0.057 8.273 8.280 0.084 0.000 0.471 134 H N 0.957 120.102 119.070 0.126 0.000 2.293 134 H HA -0.106 nan 4.556 nan 0.000 0.300 134 H C -0.409 174.947 175.328 0.046 0.000 1.082 134 H CA 2.669 58.752 56.048 0.058 0.000 1.308 134 H CB 0.859 30.650 29.762 0.049 0.000 1.375 134 H HN 0.204 8.769 8.280 0.113 -0.217 0.495 135 K N -5.310 115.200 120.400 0.184 0.000 2.439 135 K HA 0.363 nan 4.320 nan 0.000 0.260 135 K C -2.087 174.529 176.600 0.027 0.000 1.032 135 K CA -1.320 55.019 56.287 0.087 0.000 0.882 135 K CB 4.832 37.381 32.500 0.081 0.000 1.420 135 K HN -0.464 7.896 8.250 0.184 0.000 0.455 136 V N 0.033 119.951 119.914 0.006 0.000 2.925 136 V HA 0.670 nan 4.120 nan 0.000 0.311 136 V C -2.440 173.668 176.094 0.023 0.000 1.104 136 V CA -1.714 60.573 62.300 -0.021 0.000 0.954 136 V CB 2.457 34.246 31.823 -0.057 0.000 1.022 136 V HN -0.245 7.958 8.190 0.022 0.000 0.427 137 L N 7.356 128.594 121.223 0.025 0.000 2.316 137 L HA 0.743 nan 4.340 nan 0.000 0.280 137 L C -2.525 174.396 176.870 0.085 0.000 1.006 137 L CA -4.310 50.568 54.840 0.064 0.000 0.836 137 L CB 2.331 44.432 42.059 0.069 0.000 1.221 137 L HN 0.461 8.685 8.230 -0.009 0.000 0.418 138 P HA 0.468 nan 4.420 nan 0.000 0.281 138 P C -1.909 175.445 177.300 0.091 0.000 1.252 138 P CA -0.638 62.540 63.100 0.130 0.000 0.778 138 P CB 1.023 32.818 31.700 0.159 0.000 0.895 139 M N 1.489 121.144 119.600 0.091 0.000 2.846 139 M HA 0.478 nan 4.480 nan 0.000 0.282 139 M C 0.238 176.593 176.300 0.091 0.000 1.266 139 M CA -2.020 53.330 55.300 0.083 0.000 0.766 139 M CB 3.941 36.596 32.600 0.092 0.000 1.739 139 M HN 0.099 8.448 8.290 0.098 0.000 0.442 140 N N 1.443 120.195 118.700 0.087 0.000 2.523 140 N HA 0.231 nan 4.740 nan 0.000 0.209 140 N C 0.307 175.855 175.510 0.062 0.000 1.039 140 N CA 1.702 54.803 53.050 0.085 0.000 1.002 140 N CB 1.792 40.318 38.487 0.064 0.000 1.270 140 N HN 0.273 8.962 8.380 0.079 -0.262 0.481 141 T N -4.069 110.514 114.554 0.048 0.000 2.881 141 T HA 0.324 nan 4.350 nan 0.000 0.278 141 T C 1.292 176.030 174.700 0.063 0.000 0.982 141 T CA -1.312 60.815 62.100 0.045 0.000 0.989 141 T CB 2.905 71.788 68.868 0.026 0.000 1.058 141 T HN -0.677 7.808 8.240 0.047 -0.217 0.529 142 G N -0.829 108.011 108.800 0.068 0.000 2.418 142 G HA2 -0.236 nan 3.960 nan 0.000 0.217 142 G HA3 -0.236 nan 3.960 nan 0.000 0.217 142 G C 1.538 176.505 174.900 0.112 0.000 1.158 142 G CA 2.068 47.219 45.100 0.085 0.000 0.771 142 G HN 0.253 8.581 8.290 0.063 0.000 0.545 143 V N 1.984 121.951 119.914 0.088 0.000 2.392 143 V HA -0.380 nan 4.120 nan 0.000 0.249 143 V C 2.250 178.451 176.094 0.178 0.000 1.059 143 V CA 2.559 64.927 62.300 0.114 0.000 1.051 143 V CB -0.750 31.051 31.823 -0.037 0.000 0.658 143 V HN -0.054 8.168 8.190 0.053 0.000 0.455 144 E N -0.748 119.524 120.200 0.120 0.000 2.110 144 E HA -0.410 nan 4.350 nan 0.000 0.193 144 E C 2.145 178.832 176.600 0.145 0.000 0.988 144 E CA 3.149 59.630 56.400 0.135 0.000 0.804 144 E CB -0.571 29.191 29.700 0.103 0.000 0.745 144 E HN -0.428 7.974 8.360 0.085 0.010 0.458 145 A N -0.583 122.304 122.820 0.112 0.000 1.930 145 A HA -0.143 nan 4.320 nan 0.000 0.217 145 A C 2.210 179.817 177.584 0.038 0.000 1.175 145 A CA 2.786 54.861 52.037 0.063 0.000 0.627 145 A CB -0.865 18.152 19.000 0.030 0.000 0.815 145 A HN -0.563 7.537 8.150 0.107 0.114 0.443 146 G N -1.599 107.269 108.800 0.113 0.000 2.404 146 G HA2 -0.359 nan 3.960 nan 0.000 0.215 146 G HA3 -0.359 nan 3.960 nan 0.000 0.215 146 G C 1.495 176.413 174.900 0.031 0.000 1.174 146 G CA 2.002 47.114 45.100 0.020 0.000 0.780 146 G HN -0.288 8.018 8.290 0.185 0.094 0.537 147 E N 1.395 121.780 120.200 0.309 0.000 2.085 147 E HA -0.374 nan 4.350 nan 0.000 0.194 147 E C 2.693 179.341 176.600 0.081 0.000 0.994 147 E CA 3.596 60.158 56.400 0.270 0.000 0.801 147 E CB -0.336 29.519 29.700 0.260 0.000 0.743 147 E HN 0.274 8.860 8.360 0.376 0.000 0.453 148 T N 1.632 116.212 114.554 0.044 0.000 2.788 148 T HA -0.211 nan 4.350 nan 0.000 0.268 148 T C 1.793 176.422 174.700 -0.118 0.000 1.044 148 T CA 4.557 66.606 62.100 -0.085 0.000 1.139 148 T CB -0.591 68.311 68.868 0.056 0.000 0.867 148 T HN -0.056 8.242 8.240 0.106 0.006 0.454 149 A N 1.080 123.832 122.820 -0.113 0.000 1.898 149 A HA -0.208 nan 4.320 nan 0.000 0.216 149 A C 1.601 179.092 177.584 -0.155 0.000 1.181 149 A CA 3.306 55.240 52.037 -0.170 0.000 0.620 149 A CB -0.882 17.974 19.000 -0.240 0.000 0.819 149 A HN -0.177 7.831 8.150 -0.089 0.089 0.442 150 C N -1.641 117.585 119.300 -0.124 0.000 2.425 150 C HA -0.351 nan 4.460 nan 0.000 0.277 150 C C 2.278 177.279 174.990 0.018 0.000 1.280 150 C CA 4.329 63.329 59.018 -0.030 0.000 1.744 150 C CB -1.819 25.988 27.740 0.112 0.000 1.989 150 C HN 0.110 8.189 8.230 -0.129 0.074 0.491 151 K N -0.171 120.220 120.400 -0.016 0.000 2.097 151 K HA -0.271 nan 4.320 nan 0.000 0.205 151 K C 2.347 178.934 176.600 -0.022 0.000 1.050 151 K CA 3.317 59.589 56.287 -0.026 0.000 0.938 151 K CB -0.314 32.105 32.500 -0.134 0.000 0.718 151 K HN -0.208 7.940 8.250 -0.040 0.078 0.442 152 L N -0.885 120.302 121.223 -0.060 0.000 2.017 152 L HA -0.277 nan 4.340 nan 0.000 0.208 152 L C 2.132 179.022 176.870 0.033 0.000 1.073 152 L CA 2.606 57.432 54.840 -0.024 0.000 0.745 152 L CB -1.384 40.629 42.059 -0.078 0.000 0.894 152 L HN 0.013 8.110 8.230 -0.099 0.074 0.432 153 A N -1.176 121.635 122.820 -0.015 0.000 1.877 153 A HA -0.390 nan 4.320 nan 0.000 0.216 153 A C 2.319 179.951 177.584 0.081 0.000 1.186 153 A CA 3.325 55.375 52.037 0.022 0.000 0.620 153 A CB -0.742 18.225 19.000 -0.055 0.000 0.822 153 A HN 0.288 8.402 8.150 -0.061 0.000 0.443 154 R N -1.771 118.737 120.500 0.014 0.000 2.070 154 R HA -0.366 nan 4.340 nan 0.000 0.233 154 R C 2.249 178.456 176.300 -0.156 0.000 1.137 154 R CA 3.514 59.548 56.100 -0.111 0.000 0.945 154 R CB -0.107 30.223 30.300 0.049 0.000 0.845 154 R HN -0.221 8.065 8.270 0.027 0.000 0.430 155 K N -0.209 120.239 120.400 0.080 0.000 2.063 155 K HA -0.339 nan 4.320 nan 0.000 0.208 155 K C 1.964 178.641 176.600 0.129 0.000 1.048 155 K CA 3.265 59.652 56.287 0.165 0.000 0.928 155 K CB -0.389 32.200 32.500 0.148 0.000 0.713 155 K HN -0.194 8.110 8.250 0.090 0.000 0.442 156 W N -0.802 120.470 121.300 -0.046 0.000 2.381 156 W HA -0.281 nan 4.660 nan 0.000 0.301 156 W C 1.846 178.320 176.519 -0.073 0.000 1.205 156 W CA 3.819 61.139 57.345 -0.042 0.000 1.285 156 W CB 0.102 29.533 29.460 -0.048 0.000 1.133 156 W HN 0.163 8.505 8.180 0.270 0.000 0.521 157 G N -2.002 106.767 108.800 -0.051 0.000 2.440 157 G HA2 -0.457 nan 3.960 nan 0.000 0.218 157 G HA3 -0.457 nan 3.960 nan 0.000 0.218 157 G C 1.050 175.742 174.900 -0.346 0.000 1.154 157 G CA 2.408 47.330 45.100 -0.298 0.000 0.767 157 G HN 0.251 8.401 8.290 0.084 0.190 0.552 158 Y N 0.583 120.840 120.300 -0.071 0.000 2.153 158 Y HA -0.114 nan 4.550 nan 0.000 0.289 158 Y C 2.690 178.511 175.900 -0.132 0.000 1.119 158 Y CA 1.877 59.926 58.100 -0.084 0.000 1.116 158 Y CB -0.390 38.055 38.460 -0.026 0.000 1.004 158 Y HN -0.292 7.756 8.280 -0.386 0.000 0.501 159 T N -5.660 108.918 114.554 0.040 0.000 2.951 159 T HA -0.138 nan 4.350 nan 0.000 0.268 159 T C 1.012 175.621 174.700 -0.151 0.000 1.073 159 T CA 2.330 64.412 62.100 -0.031 0.000 1.134 159 T CB 0.088 68.967 68.868 0.018 0.000 0.884 159 T HN -0.045 8.240 8.240 0.075 0.000 0.479 160 V N 1.120 120.820 119.914 -0.356 0.000 2.854 160 V HA 0.074 nan 4.120 nan 0.000 0.236 160 V C 1.519 177.269 176.094 -0.574 0.000 1.157 160 V CA 1.485 63.484 62.300 -0.501 0.000 1.187 160 V CB 1.117 32.476 31.823 -0.774 0.000 0.949 160 V HN 0.021 7.857 8.190 -0.420 0.102 0.488 161 K N -0.214 119.675 120.400 -0.851 0.000 2.148 161 K HA -0.100 nan 4.320 nan 0.000 0.204 161 K C 1.014 177.445 176.600 -0.282 0.000 1.050 161 K CA 1.252 57.175 56.287 -0.607 0.000 0.942 161 K CB 0.972 33.062 32.500 -0.683 0.000 0.724 161 K HN -0.087 7.491 8.250 -1.120 0.000 0.446 162 G N -2.593 106.078 108.800 -0.214 0.000 2.144 162 G HA2 -0.372 nan 3.960 nan 0.000 0.218 162 G HA3 -0.372 nan 3.960 nan 0.000 0.218 162 G C 0.073 174.957 174.900 -0.027 0.000 0.988 162 G CA -0.259 44.783 45.100 -0.096 0.000 0.659 162 G HN -0.479 7.657 8.290 -0.257 0.000 0.522 163 I N 0.563 121.133 120.570 0.001 0.000 2.752 163 I HA -0.282 nan 4.170 nan 0.000 0.287 163 I C -0.667 175.561 176.117 0.185 0.000 1.188 163 I CA 0.753 62.106 61.300 0.089 0.000 1.427 163 I CB 0.389 38.433 38.000 0.073 0.000 1.365 163 I HN -0.285 7.885 8.210 -0.067 0.000 0.585 164 Q N 6.053 125.911 119.800 0.097 0.000 2.364 164 Q HA -0.103 nan 4.340 nan 0.000 0.267 164 Q C 0.045 175.992 176.000 -0.088 0.000 0.999 164 Q CA 0.008 55.808 55.803 -0.006 0.000 0.886 164 Q CB 1.365 30.086 28.738 -0.029 0.000 1.243 164 Q HN 0.344 8.660 8.270 0.078 0.000 0.415 165 K N 5.998 126.149 120.400 -0.415 0.000 2.441 165 K HA -0.252 nan 4.320 nan 0.000 0.273 165 K C -0.526 175.613 176.600 -0.768 0.000 1.090 165 K CA 1.807 57.485 56.287 -1.014 0.000 1.158 165 K CB -0.845 30.964 32.500 -1.152 0.000 0.847 165 K HN 0.449 8.494 8.250 -0.342 0.000 0.483 166 Y N -3.508 116.561 120.300 -0.385 0.000 4.569 166 Y HA -0.297 nan 4.550 nan 0.000 0.237 166 Y C -0.491 175.502 175.900 0.155 0.000 1.090 166 Y CA 0.229 58.341 58.100 0.020 0.000 2.052 166 Y CB -3.146 35.282 38.460 -0.054 0.000 1.621 166 Y HN 0.380 7.895 8.280 -1.275 0.000 0.682 167 K N -3.817 116.789 120.400 0.343 0.000 2.353 167 K HA 0.087 nan 4.320 nan 0.000 0.195 167 K C -0.324 176.416 176.600 0.234 0.000 1.031 167 K CA -0.348 56.078 56.287 0.231 0.000 1.079 167 K CB 1.458 34.047 32.500 0.149 0.000 0.857 167 K HN -0.302 8.141 8.250 0.404 0.050 0.535 168 A N 0.160 123.170 122.820 0.316 0.000 2.477 168 A HA 0.005 nan 4.320 nan 0.000 0.246 168 A C -1.021 176.643 177.584 0.135 0.000 1.078 168 A CA 0.788 52.892 52.037 0.110 0.000 0.770 168 A CB 0.598 19.475 19.000 -0.204 0.000 1.011 168 A HN -0.643 7.801 8.150 0.581 0.055 0.494 169 K N 2.874 123.343 120.400 0.114 0.000 2.281 169 K HA 0.593 nan 4.320 nan 0.000 0.242 169 K C -1.450 175.238 176.600 0.146 0.000 0.971 169 K CA -1.546 54.837 56.287 0.160 0.000 0.834 169 K CB 3.889 36.471 32.500 0.135 0.000 1.181 169 K HN 0.453 8.657 8.250 0.082 0.096 0.435 170 I N 0.409 121.111 120.570 0.220 0.000 2.499 170 I HA 0.571 nan 4.170 nan 0.000 0.288 170 I C -1.457 174.638 176.117 -0.037 0.000 1.048 170 I CA -1.146 60.170 61.300 0.027 0.000 1.062 170 I CB 3.088 41.070 38.000 -0.029 0.000 1.238 170 I HN 0.189 8.621 8.210 0.370 0.000 0.426 171 V N 5.831 125.673 119.914 -0.119 0.000 2.539 171 V HA 0.666 nan 4.120 nan 0.000 0.292 171 V C -1.283 174.731 176.094 -0.133 0.000 1.045 171 V CA -0.836 61.491 62.300 0.044 0.000 0.945 171 V CB 0.558 32.451 31.823 0.117 0.000 0.993 171 V HN 0.595 8.726 8.190 -0.099 0.000 0.464 172 F N 3.553 123.629 119.950 0.210 0.000 2.593 172 F HA 0.737 nan 4.527 nan 0.000 0.320 172 F C -1.895 174.064 175.800 0.265 0.000 1.060 172 F CA -2.042 56.029 58.000 0.119 0.000 0.940 172 F CB 4.705 43.696 39.000 -0.015 0.000 1.268 172 F HN 0.976 9.532 8.300 0.428 0.000 0.475 173 A N -0.607 122.465 122.820 0.420 0.000 2.305 173 A HA 0.708 nan 4.320 nan 0.000 0.322 173 A C -1.436 176.293 177.584 0.242 0.000 1.187 173 A CA -2.195 50.080 52.037 0.397 0.000 0.825 173 A CB 1.150 20.468 19.000 0.531 0.000 1.164 173 A HN 0.644 8.982 8.150 0.314 0.000 0.498 174 A N 2.996 125.937 122.820 0.201 0.000 2.531 174 A HA -0.181 nan 4.320 nan 0.000 0.236 174 A C 0.390 178.010 177.584 0.060 0.000 1.062 174 A CA 1.201 53.309 52.037 0.118 0.000 0.760 174 A CB -0.268 18.791 19.000 0.099 0.000 0.995 174 A HN 0.498 8.782 8.150 0.225 0.000 0.501 175 G N 2.190 111.009 108.800 0.030 0.000 2.213 175 G HA2 -0.363 nan 3.960 nan 0.000 0.236 175 G HA3 -0.363 nan 3.960 nan 0.000 0.236 175 G C -1.080 173.822 174.900 0.003 0.000 0.991 175 G CA -0.245 44.844 45.100 -0.019 0.000 0.629 175 G HN 0.328 8.648 8.290 0.050 0.000 0.517 176 N N 0.024 118.747 118.700 0.040 0.000 2.416 176 N HA -0.215 nan 4.740 nan 0.000 0.246 176 N C -1.721 173.917 175.510 0.213 0.000 1.260 176 N CA 0.655 53.769 53.050 0.108 0.000 0.897 176 N CB 0.903 39.496 38.487 0.175 0.000 1.110 176 N HN -0.606 7.723 8.380 0.054 0.083 0.439 177 F N 2.319 122.325 119.950 0.092 0.000 2.689 177 F HA 0.238 nan 4.527 nan 0.000 0.332 177 F C -1.639 174.258 175.800 0.160 0.000 1.209 177 F CA -0.272 57.760 58.000 0.053 0.000 1.028 177 F CB 2.769 41.763 39.000 -0.009 0.000 1.291 177 F HN -0.026 8.712 8.300 0.282 -0.269 0.500 178 W N 4.214 125.166 121.300 -0.580 0.000 2.007 178 W HA 0.288 nan 4.660 nan 0.000 0.301 178 W C -2.116 174.121 176.519 -0.469 0.000 0.887 178 W CA -0.890 56.243 57.345 -0.354 0.000 1.625 178 W CB 1.324 30.679 29.460 -0.174 0.000 1.078 178 W HN 0.202 7.861 8.180 -0.868 0.000 0.502 179 G N -1.517 106.614 108.800 -1.115 0.000 2.357 179 G HA2 -0.157 nan 3.960 nan 0.000 0.289 179 G HA3 -0.157 nan 3.960 nan 0.000 0.289 179 G C -1.381 173.020 174.900 -0.832 0.000 1.302 179 G CA -0.364 44.267 45.100 -0.781 0.000 0.936 179 G HN -0.461 6.586 8.290 -2.072 0.000 0.513 180 R N -1.983 118.229 120.500 -0.479 0.000 2.565 180 R HA 0.249 nan 4.340 nan 0.000 0.347 180 R C -0.028 176.059 176.300 -0.356 0.000 1.010 180 R CA -0.591 55.283 56.100 -0.376 0.000 1.126 180 R CB 0.971 31.134 30.300 -0.228 0.000 1.331 180 R HN 0.277 8.325 8.270 -0.369 0.000 0.552 181 T N -1.443 112.886 114.554 -0.375 0.000 2.813 181 T HA 0.039 nan 4.350 nan 0.000 0.297 181 T C 1.112 175.658 174.700 -0.257 0.000 1.036 181 T CA -1.161 60.776 62.100 -0.273 0.000 1.044 181 T CB 1.602 70.344 68.868 -0.210 0.000 0.993 181 T HN -0.599 7.360 8.240 -0.468 0.000 0.535 182 L N 0.037 121.166 121.223 -0.155 0.000 2.129 182 L HA -0.226 nan 4.340 nan 0.000 0.212 182 L C 1.876 178.741 176.870 -0.007 0.000 1.087 182 L CA 2.608 57.405 54.840 -0.072 0.000 0.757 182 L CB -0.628 41.401 42.059 -0.049 0.000 0.896 182 L HN 0.454 8.603 8.230 -0.136 0.000 0.434 183 S N -1.674 114.013 115.700 -0.023 0.000 2.388 183 S HA -0.214 nan 4.470 nan 0.000 0.223 183 S C 1.563 176.124 174.600 -0.065 0.000 1.034 183 S CA 3.005 61.297 58.200 0.154 0.000 0.963 183 S CB -0.311 63.078 63.200 0.315 0.000 0.827 183 S HN -0.080 8.134 8.310 -0.079 0.049 0.481 184 A N 1.057 123.461 122.820 -0.693 0.000 1.902 184 A HA -0.163 nan 4.320 nan 0.000 0.217 184 A C 2.521 179.613 177.584 -0.821 0.000 1.181 184 A CA 2.761 53.885 52.037 -1.522 0.000 0.623 184 A CB -0.480 17.475 19.000 -1.741 0.000 0.818 184 A HN -0.673 7.046 8.150 -0.599 0.071 0.443 185 I N -7.679 112.634 120.570 -0.428 0.000 2.928 185 I HA -0.183 nan 4.170 nan 0.000 0.266 185 I C 1.424 177.501 176.117 -0.068 0.000 1.234 185 I CA 2.634 63.829 61.300 -0.175 0.000 1.483 185 I CB -0.288 37.710 38.000 -0.003 0.000 1.097 185 I HN 0.075 8.058 8.210 -0.379 0.000 0.455 186 S N 2.602 118.303 115.700 0.002 0.000 2.423 186 S HA -0.175 nan 4.470 nan 0.000 0.231 186 S C 0.646 175.207 174.600 -0.066 0.000 1.014 186 S CA 3.252 61.489 58.200 0.061 0.000 0.965 186 S CB -0.507 62.885 63.200 0.320 0.000 0.785 186 S HN -0.166 7.978 8.310 -0.003 0.164 0.495 187 S N -1.962 113.620 115.700 -0.197 0.000 2.556 187 S HA 0.076 nan 4.470 nan 0.000 0.216 187 S C -0.382 174.059 174.600 -0.265 0.000 0.970 187 S CA 0.008 57.951 58.200 -0.429 0.000 0.912 187 S CB 0.556 62.914 63.200 -1.405 0.000 0.790 187 S HN -0.674 7.471 8.310 -0.242 0.020 0.504 188 S N 1.326 116.915 115.700 -0.185 0.000 2.601 188 S HA -0.003 nan 4.470 nan 0.000 0.271 188 S C 0.832 175.457 174.600 0.041 0.000 1.305 188 S CA -0.127 58.054 58.200 -0.032 0.000 1.022 188 S CB 1.063 64.292 63.200 0.049 0.000 0.940 188 S HN -0.632 7.363 8.310 -0.204 0.193 0.525 189 T N -1.498 113.126 114.554 0.116 0.000 3.085 189 T HA 0.283 nan 4.350 nan 0.000 0.264 189 T C -0.366 174.471 174.700 0.229 0.000 1.019 189 T CA -0.626 61.568 62.100 0.157 0.000 0.910 189 T CB -0.151 68.762 68.868 0.074 0.000 1.059 189 T HN -0.054 8.247 8.240 0.101 0.000 0.542 190 D N 3.442 123.965 120.400 0.205 0.000 2.359 190 D HA 0.475 nan 4.640 nan 0.000 0.230 190 D C -0.986 175.190 176.300 -0.207 0.000 1.118 190 D CA -3.331 50.706 54.000 0.062 0.000 0.844 190 D CB 1.444 42.313 40.800 0.114 0.000 1.059 190 D HN -0.499 7.936 8.370 0.224 0.069 0.493 191 P HA -0.242 nan 4.420 nan 0.000 0.217 191 P C 0.753 177.715 177.300 -0.562 0.000 1.151 191 P CA 2.084 64.691 63.100 -0.822 0.000 0.849 191 P CB 0.243 31.720 31.700 -0.371 0.000 0.787 192 T N -6.895 107.504 114.554 -0.258 0.000 2.929 192 T HA -0.158 nan 4.350 nan 0.000 0.271 192 T C 1.676 176.361 174.700 -0.026 0.000 1.085 192 T CA 3.071 65.094 62.100 -0.128 0.000 1.125 192 T CB -0.644 68.179 68.868 -0.075 0.000 0.874 192 T HN -0.335 7.994 8.240 -0.187 -0.202 0.494 193 S N 1.819 117.505 115.700 -0.023 0.000 2.470 193 S HA -0.055 nan 4.470 nan 0.000 0.222 193 S C 0.590 175.367 174.600 0.296 0.000 1.024 193 S CA 2.045 60.315 58.200 0.116 0.000 0.931 193 S CB 1.103 64.360 63.200 0.095 0.000 0.791 193 S HN 0.020 8.237 8.310 -0.106 0.030 0.513 194 Y N -2.213 118.225 120.300 0.230 0.000 2.483 194 Y HA 0.255 nan 4.550 nan 0.000 0.258 194 Y C -0.949 175.167 175.900 0.359 0.000 1.083 194 Y CA -2.722 55.586 58.100 0.346 0.000 1.283 194 Y CB 0.524 38.966 38.460 -0.030 0.000 1.178 194 Y HN -1.080 7.036 8.280 -0.273 0.000 0.515 195 D N 3.531 123.875 120.400 -0.094 0.000 2.472 195 D HA -0.212 nan 4.640 nan 0.000 0.248 195 D C 1.122 177.263 176.300 -0.266 0.000 1.174 195 D CA 2.261 56.211 54.000 -0.084 0.000 0.883 195 D CB -0.120 40.527 40.800 -0.255 0.000 1.149 195 D HN -0.101 7.900 8.370 -0.449 0.100 0.488 196 G N 3.855 112.571 108.800 -0.140 0.000 2.143 196 G HA2 -0.385 nan 3.960 nan 0.000 0.249 196 G HA3 -0.385 nan 3.960 nan 0.000 0.249 196 G C -0.311 174.324 174.900 -0.442 0.000 0.981 196 G CA 0.129 45.031 45.100 -0.330 0.000 0.665 196 G HN 0.441 8.783 8.290 0.087 0.000 0.528 197 F N 2.031 122.029 119.950 0.081 0.000 2.987 197 F HA 0.262 nan 4.527 nan 0.000 0.302 197 F C 1.047 176.712 175.800 -0.226 0.000 1.221 197 F CA -0.501 57.492 58.000 -0.012 0.000 1.307 197 F CB -0.740 38.309 39.000 0.081 0.000 1.108 197 F HN -0.314 8.032 8.300 0.150 0.044 0.521 198 G N -0.090 108.623 108.800 -0.145 0.000 2.801 198 G HA2 -0.297 nan 3.960 nan 0.000 0.244 198 G HA3 -0.297 nan 3.960 nan 0.000 0.244 198 G C -2.287 172.213 174.900 -0.667 0.000 1.385 198 G CA -1.123 43.808 45.100 -0.282 0.000 0.894 198 G HN -0.363 7.782 8.290 -0.099 0.085 0.562 199 P HA -0.002 nan 4.420 nan 0.000 0.268 199 P C -1.535 175.370 177.300 -0.658 0.000 1.208 199 P CA 0.075 62.872 63.100 -0.506 0.000 0.777 199 P CB 0.594 32.165 31.700 -0.215 0.000 0.875 200 F N -1.859 118.076 119.950 -0.025 0.000 2.450 200 F HA 0.202 nan 4.527 nan 0.000 0.328 200 F C 0.114 175.863 175.800 -0.085 0.000 1.068 200 F CA -1.672 56.303 58.000 -0.041 0.000 1.007 200 F CB 1.165 40.135 39.000 -0.050 0.000 1.251 200 F HN -0.137 8.099 8.300 -0.106 0.000 0.492 201 M N 3.593 123.236 119.600 0.071 0.000 2.268 201 M HA 0.156 nan 4.480 nan 0.000 0.349 201 M C -2.118 174.013 176.300 -0.282 0.000 1.485 201 M CA -2.561 52.639 55.300 -0.166 0.000 1.094 201 M CB 0.021 32.444 32.600 -0.296 0.000 1.843 201 M HN 0.218 8.616 8.290 0.180 0.000 0.460 202 P HA 0.107 nan 4.420 nan 0.000 0.276 202 P C -0.132 177.022 177.300 -0.245 0.000 1.252 202 P CA -0.274 62.732 63.100 -0.156 0.000 0.802 202 P CB 0.655 32.313 31.700 -0.071 0.000 1.035 203 G N -0.867 107.894 108.800 -0.065 0.000 2.157 203 G HA2 -0.323 nan 3.960 nan 0.000 0.248 203 G HA3 -0.323 nan 3.960 nan 0.000 0.248 203 G C -1.157 173.912 174.900 0.282 0.000 0.979 203 G CA 0.065 45.195 45.100 0.050 0.000 0.650 203 G HN 0.537 8.825 8.290 -0.003 0.000 0.529 204 F N -0.413 119.652 119.950 0.190 0.000 2.388 204 F HA 0.453 nan 4.527 nan 0.000 0.358 204 F C -0.967 174.970 175.800 0.229 0.000 1.122 204 F CA -3.224 54.953 58.000 0.295 0.000 1.056 204 F CB 0.438 39.573 39.000 0.224 0.000 1.155 204 F HN -0.534 7.869 8.300 0.172 0.000 0.461 205 D N 4.500 125.170 120.400 0.449 0.000 2.192 205 D HA 0.337 nan 4.640 nan 0.000 0.246 205 D C -1.594 174.887 176.300 0.302 0.000 1.042 205 D CA -0.822 53.343 54.000 0.274 0.000 0.847 205 D CB 2.792 43.697 40.800 0.176 0.000 1.186 205 D HN 0.465 9.132 8.370 0.495 0.000 0.461 206 I N 1.737 122.431 120.570 0.208 0.000 2.389 206 I HA 0.600 nan 4.170 nan 0.000 0.288 206 I C -0.534 175.670 176.117 0.146 0.000 0.999 206 I CA -0.840 60.582 61.300 0.204 0.000 1.129 206 I CB 1.927 40.009 38.000 0.136 0.000 1.288 206 I HN 0.006 8.308 8.210 0.152 0.000 0.444 207 I N 2.614 123.285 120.570 0.169 0.000 2.910 207 I HA 0.737 nan 4.170 nan 0.000 0.310 207 I C -2.608 173.597 176.117 0.147 0.000 1.043 207 I CA -3.663 57.705 61.300 0.112 0.000 1.053 207 I CB 1.610 39.641 38.000 0.051 0.000 1.242 207 I HN 0.826 9.181 8.210 0.242 0.000 0.452 208 P HA -0.011 nan 4.420 nan 0.000 0.271 208 P C -1.933 175.473 177.300 0.176 0.000 1.218 208 P CA -0.266 62.903 63.100 0.116 0.000 0.780 208 P CB 0.298 32.029 31.700 0.053 0.000 0.901 209 Y N 3.418 123.743 120.300 0.042 0.000 2.379 209 Y HA -0.265 nan 4.550 nan 0.000 0.337 209 Y C 0.252 176.054 175.900 -0.163 0.000 1.238 209 Y CA 0.157 58.268 58.100 0.019 0.000 1.405 209 Y CB 0.670 39.136 38.460 0.011 0.000 1.310 209 Y HN -0.102 8.334 8.280 0.261 0.000 0.569 210 N N 3.055 121.049 118.700 -1.177 0.000 2.725 210 N HA -0.375 nan 4.740 nan 0.000 0.251 210 N C -1.972 173.180 175.510 -0.597 0.000 1.031 210 N CA 0.823 52.988 53.050 -1.474 0.000 0.720 210 N CB -0.534 37.333 38.487 -1.034 0.000 0.930 210 N HN 0.405 7.978 8.380 -1.345 0.000 0.543 211 D N -1.251 119.005 120.400 -0.240 0.000 2.328 211 D HA 0.103 nan 4.640 nan 0.000 0.243 211 D C 0.052 176.389 176.300 0.062 0.000 1.324 211 D CA -0.943 53.029 54.000 -0.047 0.000 0.966 211 D CB 1.132 41.909 40.800 -0.038 0.000 1.324 211 D HN -0.383 7.923 8.370 -0.106 0.000 0.549 212 L N 3.355 124.632 121.223 0.089 0.000 2.046 212 L HA -0.029 nan 4.340 nan 0.000 0.208 212 L C -0.264 176.582 176.870 -0.040 0.000 1.077 212 L CA 3.674 58.531 54.840 0.029 0.000 0.747 212 L CB -2.821 39.253 42.059 0.025 0.000 0.896 212 L HN 0.477 8.755 8.230 0.080 0.000 0.432 213 P HA -0.194 nan 4.420 nan 0.000 0.216 213 P C 1.076 178.339 177.300 -0.061 0.000 1.150 213 P CA 3.235 66.310 63.100 -0.041 0.000 0.837 213 P CB -0.731 30.952 31.700 -0.027 0.000 0.786 214 A N -2.927 119.858 122.820 -0.058 0.000 1.969 214 A HA -0.164 nan 4.320 nan 0.000 0.218 214 A C 2.146 179.651 177.584 -0.132 0.000 1.169 214 A CA 2.917 54.912 52.037 -0.069 0.000 0.635 214 A CB -0.690 18.287 19.000 -0.038 0.000 0.810 214 A HN -0.389 7.991 8.150 -0.042 -0.255 0.445 215 L N -0.923 120.188 121.223 -0.186 0.000 2.005 215 L HA -0.408 nan 4.340 nan 0.000 0.207 215 L C 1.579 178.262 176.870 -0.311 0.000 1.072 215 L CA 3.163 57.795 54.840 -0.347 0.000 0.744 215 L CB -0.206 41.586 42.059 -0.445 0.000 0.895 215 L HN -0.466 7.590 8.230 -0.137 0.092 0.433 216 E N -1.032 119.031 120.200 -0.228 0.000 2.085 216 E HA -0.448 nan 4.350 nan 0.000 0.194 216 E C 1.418 177.893 176.600 -0.208 0.000 0.994 216 E CA 3.173 59.445 56.400 -0.214 0.000 0.801 216 E CB -0.250 29.396 29.700 -0.091 0.000 0.743 216 E HN -0.278 7.974 8.360 -0.180 0.000 0.453 217 R N -2.597 117.818 120.500 -0.141 0.000 2.073 217 R HA -0.231 nan 4.340 nan 0.000 0.234 217 R C 2.430 178.656 176.300 -0.124 0.000 1.134 217 R CA 2.613 58.651 56.100 -0.103 0.000 0.952 217 R CB 0.253 30.511 30.300 -0.070 0.000 0.850 217 R HN -0.491 7.698 8.270 -0.126 0.005 0.433 218 A N -0.544 122.184 122.820 -0.153 0.000 1.969 218 A HA -0.139 nan 4.320 nan 0.000 0.218 218 A C 2.170 179.646 177.584 -0.180 0.000 1.169 218 A CA 2.642 54.594 52.037 -0.141 0.000 0.635 218 A CB -0.461 18.450 19.000 -0.149 0.000 0.810 218 A HN -0.151 7.826 8.150 -0.167 0.073 0.445 219 L N -3.762 117.278 121.223 -0.304 0.000 2.675 219 L HA -0.185 nan 4.340 nan 0.000 0.239 219 L C 0.807 177.458 176.870 -0.365 0.000 1.151 219 L CA 0.449 55.045 54.840 -0.406 0.000 0.905 219 L CB -1.385 40.250 42.059 -0.706 0.000 1.057 219 L HN 0.070 8.007 8.230 -0.342 0.088 0.435 220 Q N -1.827 117.855 119.800 -0.196 0.000 2.311 220 Q HA -0.157 nan 4.340 nan 0.000 0.203 220 Q C 0.529 176.523 176.000 -0.011 0.000 0.954 220 Q CA 0.889 56.656 55.803 -0.060 0.000 0.885 220 Q CB 0.057 28.774 28.738 -0.035 0.000 0.963 220 Q HN -0.755 7.313 8.270 -0.180 0.095 0.471 221 D N 1.139 121.523 120.400 -0.027 0.000 2.338 221 D HA 0.230 nan 4.640 nan 0.000 0.255 221 D C -0.230 176.083 176.300 0.021 0.000 1.237 221 D CA -2.576 51.427 54.000 0.004 0.000 0.883 221 D CB 0.871 41.675 40.800 0.006 0.000 1.087 221 D HN -0.716 7.585 8.370 -0.060 0.033 0.485 222 P HA -0.075 nan 4.420 nan 0.000 0.239 222 P C -0.180 177.146 177.300 0.044 0.000 1.184 222 P CA 0.980 64.108 63.100 0.047 0.000 0.760 222 P CB 0.142 31.866 31.700 0.039 0.000 0.884 223 N N -0.956 117.771 118.700 0.045 0.000 2.336 223 N HA 0.042 nan 4.740 nan 0.000 0.189 223 N C -0.860 174.684 175.510 0.056 0.000 1.113 223 N CA -0.022 53.060 53.050 0.054 0.000 0.858 223 N CB 0.687 39.214 38.487 0.067 0.000 0.970 223 N HN -0.490 8.105 8.380 0.041 -0.191 0.471 224 V N 0.937 120.882 119.914 0.052 0.000 2.470 224 V HA 0.027 nan 4.120 nan 0.000 0.276 224 V C -0.899 175.244 176.094 0.082 0.000 1.040 224 V CA 0.858 63.191 62.300 0.054 0.000 1.008 224 V CB -0.638 31.197 31.823 0.020 0.000 0.990 224 V HN -0.522 7.633 8.190 0.045 0.061 0.477 225 A N 7.301 130.172 122.820 0.085 0.000 1.997 225 A HA 0.262 nan 4.320 nan 0.000 0.212 225 A C -1.593 176.060 177.584 0.115 0.000 1.178 225 A CA 1.703 53.836 52.037 0.160 0.000 0.698 225 A CB 1.580 20.645 19.000 0.108 0.000 0.842 225 A HN 1.103 9.187 8.150 0.064 0.105 0.458 226 A N -4.502 118.333 122.820 0.025 0.000 2.581 226 A HA 0.841 nan 4.320 nan 0.000 0.290 226 A C -3.153 174.419 177.584 -0.020 0.000 1.119 226 A CA -0.246 51.771 52.037 -0.033 0.000 0.670 226 A CB 3.080 22.007 19.000 -0.122 0.000 1.280 226 A HN -0.739 7.424 8.150 0.022 0.000 0.425 227 F N -0.047 119.772 119.950 -0.219 0.000 2.536 227 F HA 0.821 nan 4.527 nan 0.000 0.322 227 F C -3.017 172.630 175.800 -0.254 0.000 1.144 227 F CA -2.246 55.593 58.000 -0.269 0.000 0.924 227 F CB 4.024 42.899 39.000 -0.208 0.000 1.181 227 F HN 0.516 8.833 8.300 0.029 0.000 0.438 228 M N 8.821 127.892 119.600 -0.881 0.000 2.227 228 M HA 0.836 nan 4.480 nan 0.000 0.335 228 M C -2.550 173.244 176.300 -0.844 0.000 1.053 228 M CA -1.113 53.719 55.300 -0.780 0.000 0.973 228 M CB 2.460 34.581 32.600 -0.798 0.000 1.623 228 M HN 0.391 8.127 8.290 -0.924 0.000 0.434 229 V N 0.934 120.523 119.914 -0.542 0.000 3.049 229 V HA 0.548 nan 4.120 nan 0.000 0.309 229 V C -1.903 174.169 176.094 -0.037 0.000 1.148 229 V CA -2.528 59.602 62.300 -0.282 0.000 0.990 229 V CB 2.948 34.660 31.823 -0.185 0.000 1.039 229 V HN 0.757 8.727 8.190 -0.366 0.000 0.430 230 E N 1.439 121.669 120.200 0.051 0.000 2.197 230 E HA 0.430 nan 4.350 nan 0.000 0.281 230 E C -1.779 174.956 176.600 0.225 0.000 0.995 230 E CA -2.987 53.463 56.400 0.082 0.000 0.808 230 E CB 0.562 30.279 29.700 0.028 0.000 1.093 230 E HN 0.305 8.690 8.360 0.041 0.000 0.394 231 P HA -0.180 nan 4.420 nan 0.000 0.219 231 P C -1.501 175.982 177.300 0.306 0.000 1.146 231 P CA 1.174 64.440 63.100 0.276 0.000 0.808 231 P CB 0.432 32.256 31.700 0.207 0.000 0.779 232 I N -4.819 115.891 120.570 0.233 0.000 2.649 232 I HA 0.092 nan 4.170 nan 0.000 0.289 232 I C -1.703 174.471 176.117 0.095 0.000 1.222 232 I CA -1.713 59.704 61.300 0.196 0.000 1.046 232 I CB 3.574 41.654 38.000 0.134 0.000 1.272 232 I HN -0.873 7.407 8.210 0.178 0.037 0.425 233 Q N 6.606 126.407 119.800 0.003 0.000 2.344 233 Q HA 0.061 nan 4.340 nan 0.000 0.253 233 Q C 0.850 176.847 176.000 -0.005 0.000 1.050 233 Q CA -0.265 55.484 55.803 -0.089 0.000 0.912 233 Q CB -0.081 28.486 28.738 -0.286 0.000 1.258 233 Q HN 0.149 8.451 8.270 0.054 0.000 0.443 234 G N 5.555 114.371 108.800 0.026 0.000 2.575 234 G HA2 -0.348 nan 3.960 nan 0.000 0.215 234 G HA3 -0.348 nan 3.960 nan 0.000 0.215 234 G C 0.970 175.872 174.900 0.004 0.000 1.262 234 G CA 2.075 47.194 45.100 0.032 0.000 0.807 234 G HN 0.071 8.528 8.290 0.039 -0.144 0.567 235 E N 1.403 121.575 120.200 -0.047 0.000 2.265 235 E HA -0.302 nan 4.350 nan 0.000 0.196 235 E C 1.238 177.861 176.600 0.038 0.000 0.996 235 E CA 2.310 58.626 56.400 -0.140 0.000 0.832 235 E CB -0.909 28.500 29.700 -0.485 0.000 0.756 235 E HN 0.304 8.648 8.360 -0.027 0.000 0.491 236 A N -4.419 118.445 122.820 0.074 0.000 2.015 236 A HA -0.105 nan 4.320 nan 0.000 0.219 236 A C 0.534 178.184 177.584 0.110 0.000 1.163 236 A CA 1.307 53.396 52.037 0.088 0.000 0.646 236 A CB 0.098 19.077 19.000 -0.034 0.000 0.806 236 A HN 0.078 8.207 8.150 0.028 0.038 0.448 237 G N -6.108 102.739 108.800 0.079 0.000 2.192 237 G HA2 -0.189 nan 3.960 nan 0.000 0.152 237 G HA3 -0.189 nan 3.960 nan 0.000 0.152 237 G C -0.894 174.025 174.900 0.031 0.000 1.057 237 G CA -0.570 44.566 45.100 0.060 0.000 0.748 237 G HN -0.451 7.728 8.290 0.050 0.141 0.488 238 V N -2.093 117.841 119.914 0.033 0.000 5.961 238 V HA -0.506 nan 4.120 nan 0.000 0.311 238 V C 0.261 176.385 176.094 0.051 0.000 0.552 238 V CA 1.074 63.399 62.300 0.042 0.000 0.641 238 V CB -2.616 29.232 31.823 0.042 0.000 0.286 238 V HN -0.145 7.957 8.190 0.031 0.107 0.939 239 V N -0.508 119.440 119.914 0.057 0.000 2.408 239 V HA 0.406 nan 4.120 nan 0.000 0.267 239 V C -1.135 175.062 176.094 0.172 0.000 1.047 239 V CA -0.695 61.663 62.300 0.096 0.000 0.937 239 V CB 0.704 32.586 31.823 0.098 0.000 0.999 239 V HN -0.385 7.825 8.190 0.034 0.000 0.472 240 V N 8.889 128.875 119.914 0.120 0.000 2.432 240 V HA 0.481 nan 4.120 nan 0.000 0.275 240 V C -1.137 174.990 176.094 0.057 0.000 1.043 240 V CA -3.096 59.267 62.300 0.106 0.000 0.925 240 V CB -0.224 31.622 31.823 0.039 0.000 0.985 240 V HN 0.478 8.716 8.190 0.079 0.000 0.466 241 P HA 0.302 nan 4.420 nan 0.000 0.274 241 P C -1.863 175.373 177.300 -0.106 0.000 1.246 241 P CA -0.993 61.974 63.100 -0.222 0.000 0.795 241 P CB 1.021 32.508 31.700 -0.356 0.000 1.006 242 D N 0.681 120.993 120.400 -0.147 0.000 2.399 242 D HA 0.180 nan 4.640 nan 0.000 0.241 242 D C -1.068 175.244 176.300 0.020 0.000 1.133 242 D CA -1.009 52.959 54.000 -0.054 0.000 0.890 242 D CB -0.977 39.785 40.800 -0.063 0.000 1.201 242 D HN -0.212 8.326 8.370 -0.279 -0.335 0.432 243 P HA -0.286 nan 4.420 nan 0.000 0.268 243 P C -0.092 177.247 177.300 0.064 0.000 1.204 243 P CA 0.265 63.393 63.100 0.047 0.000 0.768 243 P CB -0.141 31.576 31.700 0.029 0.000 0.842 244 G N 2.897 111.745 108.800 0.082 0.000 2.213 244 G HA2 -0.427 nan 3.960 nan 0.000 0.236 244 G HA3 -0.427 nan 3.960 nan 0.000 0.236 244 G C 0.564 175.517 174.900 0.089 0.000 0.991 244 G CA -0.046 45.096 45.100 0.070 0.000 0.629 244 G HN 0.195 8.908 8.290 0.089 -0.369 0.517 245 Y N 2.829 123.115 120.300 -0.023 0.000 2.114 245 Y HA -0.309 nan 4.550 nan 0.000 0.284 245 Y C 0.453 176.339 175.900 -0.024 0.000 1.143 245 Y CA 4.004 62.075 58.100 -0.048 0.000 1.135 245 Y CB 0.168 38.572 38.460 -0.093 0.000 0.980 245 Y HN -0.353 7.967 8.280 0.206 0.084 0.499 246 L N -3.082 118.083 121.223 -0.096 0.000 2.083 246 L HA -0.465 nan 4.340 nan 0.000 0.209 246 L C 2.163 178.979 176.870 -0.089 0.000 1.083 246 L CA 2.515 57.281 54.840 -0.124 0.000 0.752 246 L CB -0.473 41.660 42.059 0.123 0.000 0.899 246 L HN -0.583 7.852 8.230 0.117 -0.135 0.433 247 M N -0.629 118.956 119.600 -0.025 0.000 2.175 247 M HA -0.339 nan 4.480 nan 0.000 0.264 247 M C 2.195 178.453 176.300 -0.070 0.000 1.063 247 M CA 3.936 59.231 55.300 -0.008 0.000 1.119 247 M CB -0.148 32.464 32.600 0.020 0.000 1.377 247 M HN -0.372 8.132 8.290 0.009 -0.209 0.415 248 G N -0.926 107.806 108.800 -0.114 0.000 2.402 248 G HA2 -0.313 nan 3.960 nan 0.000 0.216 248 G HA3 -0.313 nan 3.960 nan 0.000 0.216 248 G C 0.859 175.621 174.900 -0.231 0.000 1.162 248 G CA 2.167 47.188 45.100 -0.132 0.000 0.777 248 G HN -0.163 7.981 8.290 -0.100 0.086 0.539 249 V N 3.993 123.663 119.914 -0.407 0.000 2.343 249 V HA -0.435 nan 4.120 nan 0.000 0.247 249 V C 1.902 177.695 176.094 -0.501 0.000 1.051 249 V CA 3.890 65.859 62.300 -0.552 0.000 1.036 249 V CB -0.794 30.527 31.823 -0.835 0.000 0.654 249 V HN 0.255 8.097 8.190 -0.458 0.074 0.451 250 R N -1.010 119.270 120.500 -0.366 0.000 2.073 250 R HA -0.353 nan 4.340 nan 0.000 0.234 250 R C 1.452 177.719 176.300 -0.054 0.000 1.134 250 R CA 2.605 58.648 56.100 -0.095 0.000 0.952 250 R CB -0.946 29.432 30.300 0.129 0.000 0.850 250 R HN -0.028 8.056 8.270 -0.309 0.000 0.433 251 E N -0.254 119.907 120.200 -0.064 0.000 2.051 251 E HA -0.296 nan 4.350 nan 0.000 0.192 251 E C 2.493 179.075 176.600 -0.030 0.000 0.991 251 E CA 3.076 59.454 56.400 -0.036 0.000 0.799 251 E CB -0.193 29.486 29.700 -0.035 0.000 0.748 251 E HN -0.490 7.820 8.360 -0.082 0.000 0.449 252 L N -0.827 120.362 121.223 -0.056 0.000 2.012 252 L HA -0.346 nan 4.340 nan 0.000 0.210 252 L C 2.463 179.373 176.870 0.066 0.000 1.073 252 L CA 2.947 57.792 54.840 0.007 0.000 0.748 252 L CB -0.749 41.251 42.059 -0.099 0.000 0.891 252 L HN 0.202 8.368 8.230 -0.106 0.000 0.431 253 C N -1.569 117.705 119.300 -0.043 0.000 2.413 253 C HA -0.438 nan 4.460 nan 0.000 0.277 253 C C 2.367 177.390 174.990 0.056 0.000 1.228 253 C CA 4.735 63.754 59.018 0.001 0.000 1.731 253 C CB -1.948 25.774 27.740 -0.029 0.000 2.042 253 C HN 0.306 8.457 8.230 -0.130 0.000 0.468 254 T N 2.124 116.699 114.554 0.035 0.000 2.720 254 T HA -0.359 nan 4.350 nan 0.000 0.268 254 T C 2.277 176.987 174.700 0.016 0.000 1.037 254 T CA 4.534 66.654 62.100 0.033 0.000 1.144 254 T CB -0.576 68.305 68.868 0.022 0.000 0.864 254 T HN 0.077 8.327 8.240 0.016 0.000 0.444 255 R N 0.840 121.332 120.500 -0.012 0.000 2.120 255 R HA -0.266 nan 4.340 nan 0.000 0.234 255 R C 1.279 177.436 176.300 -0.237 0.000 1.123 255 R CA 2.592 58.617 56.100 -0.124 0.000 0.975 255 R CB 0.079 30.276 30.300 -0.172 0.000 0.866 255 R HN -0.126 8.149 8.270 0.008 0.000 0.446 256 H N -3.562 115.506 119.070 -0.003 0.000 2.520 256 H HA 0.237 nan 4.556 nan 0.000 0.284 256 H C -1.949 173.408 175.328 0.050 0.000 1.037 256 H CA -0.957 55.097 56.048 0.009 0.000 1.168 256 H CB -0.241 29.512 29.762 -0.014 0.000 1.497 256 H HN -0.739 7.490 8.280 0.143 0.137 0.547 257 Q N -1.496 118.386 119.800 0.137 0.000 2.451 257 Q HA -0.475 nan 4.340 nan 0.000 0.305 257 Q C -2.012 174.151 176.000 0.273 0.000 1.345 257 Q CA 0.727 56.649 55.803 0.198 0.000 0.854 257 Q CB -1.445 27.402 28.738 0.183 0.000 1.162 257 Q HN -0.542 7.604 8.270 0.086 0.175 0.440 258 V N -2.183 117.833 119.914 0.170 0.000 2.680 258 V HA 0.466 nan 4.120 nan 0.000 0.309 258 V C -0.750 175.336 176.094 -0.014 0.000 1.052 258 V CA -1.599 60.772 62.300 0.119 0.000 0.908 258 V CB 2.610 34.483 31.823 0.083 0.000 1.001 258 V HN -0.302 7.966 8.190 0.130 0.000 0.431 259 L N 3.414 124.555 121.223 -0.137 0.000 2.367 259 L HA 0.220 nan 4.340 nan 0.000 0.275 259 L C -0.925 175.934 176.870 -0.019 0.000 1.129 259 L CA -0.362 54.339 54.840 -0.231 0.000 0.839 259 L CB 0.727 42.519 42.059 -0.445 0.000 1.133 259 L HN 0.520 8.592 8.230 -0.091 0.103 0.453 260 F N 6.444 126.289 119.950 -0.176 0.000 2.350 260 F HA 0.512 nan 4.527 nan 0.000 0.365 260 F C -1.709 173.968 175.800 -0.205 0.000 1.122 260 F CA -3.557 54.365 58.000 -0.130 0.000 1.139 260 F CB 0.202 39.154 39.000 -0.080 0.000 1.220 260 F HN 0.319 9.012 8.300 0.053 -0.360 0.499 261 I N 8.801 129.397 120.570 0.043 0.000 2.307 261 I HA 0.264 nan 4.170 nan 0.000 0.289 261 I C -2.164 173.798 176.117 -0.257 0.000 1.021 261 I CA -1.046 60.108 61.300 -0.242 0.000 1.224 261 I CB 0.984 38.801 38.000 -0.305 0.000 1.376 261 I HN 0.962 9.244 8.210 0.120 0.000 0.470 262 A N 8.648 131.222 122.820 -0.410 0.000 2.249 262 A HA 0.368 nan 4.320 nan 0.000 0.314 262 A C -2.319 175.133 177.584 -0.220 0.000 1.290 262 A CA -1.954 49.903 52.037 -0.300 0.000 0.893 262 A CB 1.222 19.964 19.000 -0.430 0.000 1.165 262 A HN 0.847 8.701 8.150 -0.493 0.000 0.530 263 D N 4.878 125.190 120.400 -0.146 0.000 2.393 263 D HA -0.016 nan 4.640 nan 0.000 0.232 263 D C 0.008 176.281 176.300 -0.044 0.000 1.192 263 D CA -0.748 53.188 54.000 -0.106 0.000 0.882 263 D CB 0.575 41.328 40.800 -0.079 0.000 1.038 263 D HN 0.242 8.434 8.370 -0.119 0.107 0.499 264 E N 4.983 125.145 120.200 -0.062 0.000 2.496 264 E HA 0.180 nan 4.350 nan 0.000 0.200 264 E C 1.389 177.992 176.600 0.005 0.000 1.016 264 E CA -1.160 55.229 56.400 -0.018 0.000 0.962 264 E CB -0.236 29.434 29.700 -0.050 0.000 1.071 264 E HN -0.252 8.043 8.360 -0.110 0.000 0.457 265 I N 0.734 121.312 120.570 0.014 0.000 2.335 265 I HA -0.527 nan 4.170 nan 0.000 0.251 265 I C 0.260 176.420 176.117 0.071 0.000 1.129 265 I CA 4.530 65.856 61.300 0.042 0.000 1.402 265 I CB -0.123 37.915 38.000 0.063 0.000 1.069 265 I HN -0.545 7.857 8.210 0.006 -0.189 0.424 266 Q N -3.919 115.929 119.800 0.081 0.000 2.391 266 Q HA -0.028 nan 4.340 nan 0.000 0.243 266 Q C 1.211 177.264 176.000 0.089 0.000 0.874 266 Q CA 2.080 57.937 55.803 0.091 0.000 0.950 266 Q CB 1.070 29.868 28.738 0.099 0.000 1.103 266 Q HN 0.049 8.344 8.270 0.076 0.021 0.544 267 T N -4.331 110.277 114.554 0.089 0.000 3.051 267 T HA 0.145 nan 4.350 nan 0.000 0.255 267 T C 0.874 175.644 174.700 0.117 0.000 1.085 267 T CA 0.868 63.031 62.100 0.104 0.000 1.109 267 T CB 0.016 68.954 68.868 0.116 0.000 0.921 267 T HN 0.183 8.472 8.240 0.082 0.000 0.488 268 G N 0.586 109.452 108.800 0.109 0.000 2.588 268 G HA2 0.319 nan 3.960 nan 0.000 0.278 268 G HA3 0.319 nan 3.960 nan 0.000 0.278 268 G C -0.537 174.470 174.900 0.178 0.000 1.307 268 G CA -1.422 43.766 45.100 0.148 0.000 1.016 268 G HN -0.569 7.676 8.290 0.087 0.098 0.503 269 L N -2.217 119.186 121.223 0.300 0.000 3.664 269 L HA -0.561 nan 4.340 nan 0.000 0.560 269 L C -0.633 176.281 176.870 0.074 0.000 1.285 269 L CA 0.271 55.301 54.840 0.316 0.000 0.864 269 L CB -2.553 39.674 42.059 0.281 0.000 1.512 269 L HN 0.221 8.694 8.230 0.405 0.000 0.853 270 A N -5.011 117.788 122.820 -0.036 0.000 4.284 270 A HA -0.471 nan 4.320 nan 0.000 0.264 270 A C 1.363 178.923 177.584 -0.041 0.000 0.856 270 A CA 1.864 53.811 52.037 -0.151 0.000 1.165 270 A CB -0.754 18.074 19.000 -0.286 0.000 1.059 270 A HN -0.033 8.147 8.150 0.049 0.000 0.803 271 R N -0.376 120.135 120.500 0.018 0.000 2.113 271 R HA -0.371 nan 4.340 nan 0.000 0.244 271 R C 1.146 177.483 176.300 0.062 0.000 1.142 271 R CA 3.173 59.294 56.100 0.035 0.000 0.953 271 R CB -0.002 30.332 30.300 0.057 0.000 0.860 271 R HN -0.213 7.978 8.270 0.042 0.104 0.438 272 T N -8.666 105.956 114.554 0.113 0.000 3.100 272 T HA 0.153 nan 4.350 nan 0.000 0.253 272 T C 0.698 175.551 174.700 0.254 0.000 1.118 272 T CA 0.521 62.730 62.100 0.182 0.000 1.058 272 T CB -0.148 68.878 68.868 0.264 0.000 0.953 272 T HN -0.494 7.818 8.240 0.119 0.000 0.515 273 G N 1.420 110.303 108.800 0.140 0.000 2.205 273 G HA2 -0.222 nan 3.960 nan 0.000 0.180 273 G HA3 -0.222 nan 3.960 nan 0.000 0.180 273 G C -1.054 173.801 174.900 -0.075 0.000 1.004 273 G CA -0.291 44.863 45.100 0.090 0.000 0.670 273 G HN -0.217 7.945 8.290 0.070 0.170 0.496 274 R N -2.364 118.076 120.500 -0.099 0.000 2.831 274 R HA 0.326 nan 4.340 nan 0.000 0.266 274 R C -0.528 175.742 176.300 -0.050 0.000 1.051 274 R CA -2.424 53.570 56.100 -0.175 0.000 0.943 274 R CB 1.964 32.085 30.300 -0.299 0.000 1.228 274 R HN -0.900 7.376 8.270 0.010 0.000 0.467 275 W N -0.533 120.758 121.300 -0.016 0.000 2.363 275 W HA -0.225 nan 4.660 nan 0.000 0.296 275 W C -0.370 176.239 176.519 0.150 0.000 1.212 275 W CA 2.951 60.335 57.345 0.065 0.000 1.260 275 W CB 0.821 30.295 29.460 0.023 0.000 1.131 275 W HN 0.408 8.662 8.180 0.123 0.000 0.530 276 L N -5.993 115.439 121.223 0.348 0.000 2.431 276 L HA 0.263 nan 4.340 nan 0.000 0.266 276 L C 0.087 177.068 176.870 0.184 0.000 0.978 276 L CA -1.862 53.125 54.840 0.245 0.000 0.822 276 L CB 2.565 44.756 42.059 0.219 0.000 1.310 276 L HN -0.640 7.943 8.230 0.275 -0.188 0.409 277 A N 5.071 128.016 122.820 0.208 0.000 1.986 277 A HA -0.203 nan 4.320 nan 0.000 0.220 277 A C 1.903 179.675 177.584 0.313 0.000 1.171 277 A CA 3.411 55.633 52.037 0.308 0.000 0.640 277 A CB -0.377 18.772 19.000 0.248 0.000 0.811 277 A HN 0.525 9.011 8.150 0.184 -0.226 0.451 278 V N -1.666 118.368 119.914 0.200 0.000 2.688 278 V HA -0.413 nan 4.120 nan 0.000 0.256 278 V C 1.346 177.533 176.094 0.155 0.000 1.084 278 V CA 3.459 65.861 62.300 0.170 0.000 1.103 278 V CB -0.765 31.109 31.823 0.084 0.000 0.688 278 V HN -0.234 8.305 8.190 0.161 -0.252 0.480 279 D N -0.202 120.268 120.400 0.116 0.000 2.263 279 D HA -0.207 nan 4.640 nan 0.000 0.208 279 D C 2.963 179.274 176.300 0.017 0.000 0.971 279 D CA 3.044 57.068 54.000 0.039 0.000 0.867 279 D CB -0.473 40.319 40.800 -0.013 0.000 0.929 279 D HN 0.075 8.340 8.370 0.127 0.181 0.492 280 Y N -1.067 119.282 120.300 0.081 0.000 2.315 280 Y HA -0.278 nan 4.550 nan 0.000 0.288 280 Y C 1.192 177.131 175.900 0.065 0.000 1.154 280 Y CA 2.755 60.896 58.100 0.069 0.000 1.229 280 Y CB 0.088 38.591 38.460 0.073 0.000 0.980 280 Y HN -0.468 7.932 8.280 0.258 0.035 0.540 281 E N -4.578 115.751 120.200 0.215 0.000 2.538 281 E HA 0.061 nan 4.350 nan 0.000 0.207 281 E C -0.769 175.893 176.600 0.103 0.000 1.002 281 E CA -0.747 55.741 56.400 0.146 0.000 0.952 281 E CB 0.819 30.604 29.700 0.142 0.000 1.031 281 E HN -0.691 7.774 8.360 0.223 0.028 0.476 282 N N 0.200 118.953 118.700 0.088 0.000 2.721 282 N HA -0.331 nan 4.740 nan 0.000 0.249 282 N C -0.511 175.033 175.510 0.057 0.000 1.072 282 N CA 1.076 54.160 53.050 0.056 0.000 0.710 282 N CB -0.872 37.639 38.487 0.040 0.000 0.993 282 N HN -0.396 7.829 8.380 0.096 0.213 0.547 283 V N -6.510 113.453 119.914 0.082 0.000 2.617 283 V HA 0.253 nan 4.120 nan 0.000 0.298 283 V C -1.511 174.613 176.094 0.049 0.000 1.048 283 V CA -2.035 60.322 62.300 0.094 0.000 0.964 283 V CB 1.066 33.001 31.823 0.187 0.000 1.004 283 V HN -0.797 7.452 8.190 0.099 0.000 0.466 284 R N 3.542 124.060 120.500 0.030 0.000 2.272 284 R HA 0.512 nan 4.340 nan 0.000 0.323 284 R C -1.710 174.555 176.300 -0.059 0.000 1.002 284 R CA -3.422 52.666 56.100 -0.020 0.000 0.900 284 R CB 1.452 31.718 30.300 -0.057 0.000 1.151 284 R HN 0.330 8.635 8.270 0.059 0.000 0.507 285 P HA -0.027 nan 4.420 nan 0.000 0.271 285 P C -1.364 175.803 177.300 -0.222 0.000 1.233 285 P CA -0.106 62.645 63.100 -0.581 0.000 0.789 285 P CB 0.755 31.923 31.700 -0.888 0.000 0.951 286 D N -1.277 118.974 120.400 -0.249 0.000 2.213 286 D HA 0.072 nan 4.640 nan 0.000 0.205 286 D C -0.266 175.855 176.300 -0.298 0.000 0.961 286 D CA 2.766 56.651 54.000 -0.192 0.000 0.853 286 D CB 1.312 41.973 40.800 -0.231 0.000 0.967 286 D HN 0.121 8.211 8.370 -0.302 0.099 0.496 287 I N -3.373 116.960 120.570 -0.396 0.000 2.569 287 I HA 0.308 nan 4.170 nan 0.000 0.290 287 I C -2.372 173.444 176.117 -0.503 0.000 1.088 287 I CA -0.687 60.334 61.300 -0.465 0.000 1.047 287 I CB 4.003 41.786 38.000 -0.362 0.000 1.237 287 I HN -0.579 7.389 8.210 -0.404 0.000 0.421 288 V N 5.952 125.515 119.914 -0.585 0.000 2.495 288 V HA 0.755 nan 4.120 nan 0.000 0.298 288 V C -1.288 174.573 176.094 -0.388 0.000 1.031 288 V CA -1.483 60.529 62.300 -0.479 0.000 0.871 288 V CB 2.065 33.580 31.823 -0.514 0.000 0.988 288 V HN 0.369 8.136 8.190 -0.705 0.000 0.432 289 L N 5.505 126.555 121.223 -0.289 0.000 2.307 289 L HA 0.881 nan 4.340 nan 0.000 0.284 289 L C -1.158 175.608 176.870 -0.174 0.000 1.023 289 L CA -1.025 53.691 54.840 -0.208 0.000 0.810 289 L CB 0.979 42.944 42.059 -0.155 0.000 1.231 289 L HN 0.115 8.182 8.230 -0.272 0.000 0.423 290 L N 0.957 122.091 121.223 -0.147 0.000 2.354 290 L HA 0.514 nan 4.340 nan 0.000 0.264 290 L C -1.143 175.718 176.870 -0.016 0.000 1.008 290 L CA -1.258 53.520 54.840 -0.103 0.000 0.819 290 L CB 3.417 45.370 42.059 -0.176 0.000 1.339 290 L HN 0.754 8.902 8.230 -0.136 0.000 0.420 291 G N -2.441 106.375 108.800 0.026 0.000 2.510 291 G HA2 0.101 nan 3.960 nan 0.000 0.277 291 G HA3 0.101 nan 3.960 nan 0.000 0.277 291 G C -0.880 174.065 174.900 0.076 0.000 1.223 291 G CA -0.103 45.031 45.100 0.058 0.000 0.887 291 G HN -0.314 7.994 8.290 0.030 0.000 0.485 292 K N 0.312 120.761 120.400 0.081 0.000 6.244 292 K HA -0.566 nan 4.320 nan 0.000 0.320 292 K C 1.701 178.349 176.600 0.081 0.000 0.632 292 K CA 3.192 59.530 56.287 0.085 0.000 1.101 292 K CB -0.847 31.708 32.500 0.093 0.000 0.782 292 K HN 0.465 8.762 8.250 0.079 0.000 0.907 293 A N -1.767 121.102 122.820 0.082 0.000 2.248 293 A HA -0.009 nan 4.320 nan 0.000 0.210 293 A C 2.270 179.918 177.584 0.107 0.000 1.174 293 A CA 1.704 53.789 52.037 0.080 0.000 0.750 293 A CB -0.709 18.336 19.000 0.075 0.000 0.780 293 A HN 0.128 8.328 8.150 0.084 0.000 0.478 294 L N -2.203 119.090 121.223 0.118 0.000 2.450 294 L HA -0.262 nan 4.340 nan 0.000 0.224 294 L C -0.010 176.938 176.870 0.130 0.000 1.149 294 L CA 1.895 56.821 54.840 0.144 0.000 0.816 294 L CB -0.134 42.006 42.059 0.135 0.000 0.932 294 L HN -0.289 7.811 8.230 0.105 0.194 0.449 295 S N -7.340 108.425 115.700 0.108 0.000 2.733 295 S HA 0.097 nan 4.470 nan 0.000 0.247 295 S C 1.139 175.793 174.600 0.090 0.000 1.043 295 S CA -0.246 58.015 58.200 0.103 0.000 1.066 295 S CB 2.176 65.456 63.200 0.132 0.000 1.045 295 S HN -0.842 7.469 8.310 0.101 0.059 0.586 296 G N 2.735 111.578 108.800 0.072 0.000 2.155 296 G HA2 -0.376 nan 3.960 nan 0.000 0.257 296 G HA3 -0.376 nan 3.960 nan 0.000 0.257 296 G C -0.388 174.534 174.900 0.036 0.000 0.983 296 G CA 0.690 45.817 45.100 0.046 0.000 0.676 296 G HN -0.257 7.940 8.290 0.077 0.140 0.528 297 G N -3.341 105.488 108.800 0.049 0.000 2.157 297 G HA2 -0.302 nan 3.960 nan 0.000 0.248 297 G HA3 -0.302 nan 3.960 nan 0.000 0.248 297 G C 0.234 175.173 174.900 0.066 0.000 0.979 297 G CA 0.304 45.427 45.100 0.039 0.000 0.650 297 G HN -0.422 7.855 8.290 0.066 0.053 0.529 298 L N -1.596 119.687 121.223 0.100 0.000 2.554 298 L HA 0.179 nan 4.340 nan 0.000 0.225 298 L C -0.782 176.203 176.870 0.191 0.000 1.104 298 L CA 0.599 55.517 54.840 0.129 0.000 0.866 298 L CB 0.907 43.048 42.059 0.137 0.000 1.047 298 L HN -0.574 7.666 8.230 0.104 0.052 0.468 299 Y N -2.059 118.253 120.300 0.020 0.000 2.521 299 Y HA 0.160 nan 4.550 nan 0.000 0.326 299 Y C -3.081 172.821 175.900 0.004 0.000 1.176 299 Y CA -2.251 55.853 58.100 0.007 0.000 1.079 299 Y CB 2.813 41.278 38.460 0.007 0.000 1.341 299 Y HN -0.722 7.664 8.280 0.177 0.000 0.456 300 P HA 0.093 nan 4.420 nan 0.000 0.274 300 P C -1.981 175.418 177.300 0.165 0.000 1.291 300 P CA -0.023 63.083 63.100 0.009 0.000 0.815 300 P CB -0.551 31.074 31.700 -0.124 0.000 0.897 301 V N 5.419 125.425 119.914 0.153 0.000 2.638 301 V HA 0.265 nan 4.120 nan 0.000 0.306 301 V C -1.868 174.283 176.094 0.095 0.000 1.052 301 V CA -1.533 60.845 62.300 0.130 0.000 0.885 301 V CB 2.242 34.117 31.823 0.088 0.000 0.999 301 V HN -0.325 7.940 8.190 0.125 0.000 0.424 302 S N 4.477 120.230 115.700 0.088 0.000 2.661 302 S HA 0.882 nan 4.470 nan 0.000 0.285 302 S C -2.021 172.626 174.600 0.079 0.000 1.138 302 S CA -1.812 56.432 58.200 0.074 0.000 0.855 302 S CB 3.540 66.779 63.200 0.065 0.000 1.136 302 S HN 0.510 8.775 8.310 0.091 0.099 0.484 303 A N -2.069 120.774 122.820 0.039 0.000 2.604 303 A HA 0.780 nan 4.320 nan 0.000 0.295 303 A C -3.233 174.310 177.584 -0.068 0.000 1.067 303 A CA -0.343 51.707 52.037 0.022 0.000 0.683 303 A CB 3.541 22.576 19.000 0.058 0.000 1.281 303 A HN 0.525 8.681 8.150 0.010 0.000 0.407 304 V N -0.472 119.393 119.914 -0.081 0.000 2.531 304 V HA 0.965 nan 4.120 nan 0.000 0.301 304 V C -2.500 173.469 176.094 -0.209 0.000 1.034 304 V CA -2.228 59.976 62.300 -0.161 0.000 0.865 304 V CB 2.265 34.015 31.823 -0.122 0.000 0.995 304 V HN 0.065 8.234 8.190 -0.035 0.000 0.424 305 L N 8.052 129.058 121.223 -0.361 0.000 2.334 305 L HA 0.984 nan 4.340 nan 0.000 0.276 305 L C -1.455 175.028 176.870 -0.644 0.000 1.014 305 L CA -1.141 53.431 54.840 -0.446 0.000 0.815 305 L CB 2.981 44.712 42.059 -0.548 0.000 1.268 305 L HN 0.510 8.486 8.230 -0.423 0.000 0.428 306 C N -1.252 117.817 119.300 -0.385 0.000 3.231 306 C HA 0.474 nan 4.460 nan 0.000 0.343 306 C C -1.579 173.403 174.990 -0.014 0.000 1.349 306 C CA -1.553 57.307 59.018 -0.263 0.000 1.209 306 C CB 2.719 30.303 27.740 -0.260 0.000 1.475 306 C HN 0.431 8.546 8.230 -0.192 0.000 0.460 307 D N 0.320 120.710 120.400 -0.017 0.000 2.377 307 D HA 0.111 nan 4.640 nan 0.000 0.245 307 D C 0.925 177.275 176.300 0.084 0.000 1.196 307 D CA -0.195 53.751 54.000 -0.091 0.000 0.962 307 D CB 1.014 41.613 40.800 -0.335 0.000 1.127 307 D HN 0.338 8.689 8.370 -0.032 0.000 0.471 308 D N 0.561 121.134 120.400 0.288 0.000 2.116 308 D HA -0.375 nan 4.640 nan 0.000 0.193 308 D C 1.440 177.833 176.300 0.155 0.000 0.998 308 D CA 3.983 58.117 54.000 0.224 0.000 0.836 308 D CB -0.328 40.616 40.800 0.241 0.000 0.951 308 D HN 0.538 9.288 8.370 0.634 0.000 0.449 309 D N -3.014 117.479 120.400 0.156 0.000 2.265 309 D HA -0.235 nan 4.640 nan 0.000 0.208 309 D C 0.611 177.051 176.300 0.232 0.000 0.977 309 D CA 2.532 56.641 54.000 0.182 0.000 0.871 309 D CB -0.737 40.178 40.800 0.192 0.000 0.925 309 D HN 0.285 8.752 8.370 0.161 0.000 0.485 310 I N -2.495 118.144 120.570 0.116 0.000 2.947 310 I HA -0.107 nan 4.170 nan 0.000 0.263 310 I C 1.108 177.270 176.117 0.074 0.000 1.130 310 I CA 0.999 62.339 61.300 0.066 0.000 1.448 310 I CB 0.877 38.764 38.000 -0.188 0.000 1.222 310 I HN -0.706 7.501 8.210 0.066 0.043 0.453 311 M N 0.820 120.448 119.600 0.046 0.000 2.117 311 M HA -0.300 nan 4.480 nan 0.000 0.262 311 M C 1.951 178.296 176.300 0.075 0.000 1.065 311 M CA 2.942 58.270 55.300 0.046 0.000 1.114 311 M CB 0.124 32.753 32.600 0.047 0.000 1.361 311 M HN -0.230 8.083 8.290 0.038 0.000 0.408 312 L N -3.053 118.226 121.223 0.093 0.000 2.650 312 L HA -0.166 nan 4.340 nan 0.000 0.235 312 L C 0.970 177.897 176.870 0.095 0.000 1.149 312 L CA 1.126 56.020 54.840 0.090 0.000 0.887 312 L CB -1.214 40.898 42.059 0.087 0.000 1.021 312 L HN 0.200 8.384 8.230 0.104 0.108 0.441 313 T N -4.579 110.044 114.554 0.114 0.000 2.995 313 T HA -0.175 nan 4.350 nan 0.000 0.269 313 T C 0.724 175.482 174.700 0.096 0.000 1.091 313 T CA 1.663 63.833 62.100 0.116 0.000 1.128 313 T CB 0.356 69.322 68.868 0.163 0.000 0.891 313 T HN -0.512 7.723 8.240 0.122 0.078 0.492 314 I N 2.675 123.297 120.570 0.087 0.000 2.312 314 I HA -0.017 nan 4.170 nan 0.000 0.291 314 I C -0.745 175.419 176.117 0.078 0.000 1.031 314 I CA -0.055 61.295 61.300 0.083 0.000 1.293 314 I CB 0.571 38.620 38.000 0.080 0.000 1.403 314 I HN -0.737 7.489 8.210 0.086 0.036 0.484 315 K N 9.327 129.771 120.400 0.073 0.000 2.109 315 K HA 0.429 nan 4.320 nan 0.000 0.243 315 K C -2.269 174.364 176.600 0.056 0.000 1.006 315 K CA -3.163 53.161 56.287 0.061 0.000 0.917 315 K CB -0.100 32.432 32.500 0.053 0.000 1.081 315 K HN 0.018 8.645 8.250 0.075 -0.332 0.468 316 P HA -0.254 nan 4.420 nan 0.000 0.262 316 P C 0.086 177.401 177.300 0.026 0.000 1.182 316 P CA 1.441 64.558 63.100 0.028 0.000 0.761 316 P CB -0.171 31.543 31.700 0.022 0.000 0.795 317 G N 4.401 113.211 108.800 0.017 0.000 2.199 317 G HA2 -0.398 nan 3.960 nan 0.000 0.254 317 G HA3 -0.398 nan 3.960 nan 0.000 0.254 317 G C 0.495 175.418 174.900 0.039 0.000 0.982 317 G CA 0.344 45.452 45.100 0.013 0.000 0.632 317 G HN 0.456 8.751 8.290 0.009 0.000 0.529 318 E N -0.757 119.484 120.200 0.068 0.000 2.489 318 E HA -0.079 nan 4.350 nan 0.000 0.193 318 E C -1.189 175.519 176.600 0.180 0.000 1.057 318 E CA 0.344 56.804 56.400 0.100 0.000 0.866 318 E CB 0.619 30.375 29.700 0.094 0.000 0.916 318 E HN -0.341 7.983 8.360 0.065 0.076 0.500 319 H N -3.574 115.509 119.070 0.021 0.000 3.093 319 H HA 0.064 nan 4.556 nan 0.000 0.312 319 H C -1.874 173.461 175.328 0.013 0.000 1.213 319 H CA -0.318 55.744 56.048 0.023 0.000 1.366 319 H CB 2.740 32.522 29.762 0.033 0.000 1.998 319 H HN -0.419 7.864 8.280 0.110 0.063 0.522 320 G N 2.545 111.005 108.800 -0.568 0.000 2.490 320 G HA2 0.317 nan 3.960 nan 0.000 0.308 320 G HA3 0.317 nan 3.960 nan 0.000 0.308 320 G C -2.276 172.418 174.900 -0.343 0.000 1.286 320 G CA 0.100 44.966 45.100 -0.390 0.000 0.825 320 G HN -0.028 7.865 8.290 -0.661 0.000 0.479 321 S N -1.224 114.374 115.700 -0.171 0.000 2.578 321 S HA 0.237 nan 4.470 nan 0.000 0.285 321 S C 0.523 175.101 174.600 -0.037 0.000 1.126 321 S CA -0.626 57.528 58.200 -0.077 0.000 0.878 321 S CB 1.679 64.852 63.200 -0.045 0.000 1.091 321 S HN 0.019 8.240 8.310 -0.147 0.000 0.450 322 T N 6.978 121.536 114.554 0.007 0.000 2.614 322 T HA -0.009 nan 4.350 nan 0.000 0.263 322 T C 1.216 175.880 174.700 -0.060 0.000 1.055 322 T CA 2.744 64.824 62.100 -0.033 0.000 1.162 322 T CB 0.097 68.972 68.868 0.011 0.000 0.863 322 T HN 0.523 8.783 8.240 0.033 0.000 0.414 323 Y N -2.086 118.219 120.300 0.008 0.000 2.546 323 Y HA -0.004 nan 4.550 nan 0.000 0.287 323 Y C -0.218 175.711 175.900 0.047 0.000 1.158 323 Y CA -0.589 57.539 58.100 0.047 0.000 1.307 323 Y CB 0.051 38.560 38.460 0.082 0.000 1.036 323 Y HN 0.016 8.528 8.280 0.386 0.000 0.532 324 G N -1.169 107.716 108.800 0.141 0.000 2.255 324 G HA2 -0.232 nan 3.960 nan 0.000 0.267 324 G HA3 -0.232 nan 3.960 nan 0.000 0.267 324 G C -0.247 174.683 174.900 0.050 0.000 1.177 324 G CA 1.168 46.319 45.100 0.086 0.000 1.027 324 G HN -0.830 7.379 8.290 0.115 0.151 0.437 325 G N 4.186 113.016 108.800 0.050 0.000 2.132 325 G HA2 -0.394 nan 3.960 nan 0.000 0.234 325 G HA3 -0.394 nan 3.960 nan 0.000 0.234 325 G C -0.994 173.904 174.900 -0.004 0.000 0.989 325 G CA -0.140 44.973 45.100 0.021 0.000 0.676 325 G HN 0.015 8.344 8.290 0.065 0.000 0.522 326 N N 0.557 119.260 118.700 0.005 0.000 2.453 326 N HA 0.125 nan 4.740 nan 0.000 0.253 326 N C -0.826 174.641 175.510 -0.072 0.000 1.252 326 N CA -1.556 51.487 53.050 -0.011 0.000 0.917 326 N CB -0.275 38.246 38.487 0.057 0.000 1.117 326 N HN -0.655 7.757 8.380 0.054 0.000 0.442 327 P HA -0.340 nan 4.420 nan 0.000 0.216 327 P C 1.025 178.252 177.300 -0.122 0.000 1.153 327 P CA 2.805 65.872 63.100 -0.055 0.000 0.858 327 P CB 0.007 31.699 31.700 -0.014 0.000 0.789 328 L N -2.249 118.877 121.223 -0.161 0.000 1.994 328 L HA -0.280 nan 4.340 nan 0.000 0.208 328 L C 1.782 178.357 176.870 -0.493 0.000 1.071 328 L CA 2.947 57.631 54.840 -0.260 0.000 0.745 328 L CB -0.788 41.144 42.059 -0.211 0.000 0.892 328 L HN -0.608 7.613 8.230 -0.111 -0.058 0.431 329 G N -2.741 105.592 108.800 -0.778 0.000 2.432 329 G HA2 -0.369 nan 3.960 nan 0.000 0.219 329 G HA3 -0.369 nan 3.960 nan 0.000 0.219 329 G C 1.153 175.792 174.900 -0.435 0.000 1.135 329 G CA 2.345 46.964 45.100 -0.802 0.000 0.767 329 G HN 0.323 8.616 8.290 -0.691 -0.418 0.550 330 C N 1.914 120.987 119.300 -0.378 0.000 2.440 330 C HA -0.178 nan 4.460 nan 0.000 0.278 330 C C 2.306 177.181 174.990 -0.193 0.000 1.295 330 C CA 3.131 61.905 59.018 -0.408 0.000 1.738 330 C CB -1.840 25.758 27.740 -0.237 0.000 1.987 330 C HN -0.324 7.698 8.230 -0.321 0.015 0.492 331 R N -0.351 120.070 120.500 -0.133 0.000 2.066 331 R HA -0.206 nan 4.340 nan 0.000 0.232 331 R C 2.510 178.792 176.300 -0.029 0.000 1.131 331 R CA 2.367 58.437 56.100 -0.050 0.000 0.955 331 R CB -0.953 29.319 30.300 -0.047 0.000 0.851 331 R HN -0.400 7.768 8.270 -0.171 0.000 0.432 332 V N -3.533 116.339 119.914 -0.070 0.000 2.427 332 V HA -0.154 nan 4.120 nan 0.000 0.248 332 V C 1.431 177.541 176.094 0.027 0.000 1.051 332 V CA 3.483 65.777 62.300 -0.010 0.000 1.048 332 V CB -1.211 30.609 31.823 -0.005 0.000 0.666 332 V HN -0.441 7.663 8.190 -0.144 0.000 0.456 333 A N 0.933 123.742 122.820 -0.019 0.000 1.877 333 A HA -0.354 nan 4.320 nan 0.000 0.216 333 A C 1.809 179.536 177.584 0.238 0.000 1.186 333 A CA 3.268 55.346 52.037 0.068 0.000 0.620 333 A CB -0.730 18.196 19.000 -0.125 0.000 0.822 333 A HN -0.269 7.809 8.150 -0.119 0.000 0.443 334 I N -1.774 118.955 120.570 0.265 0.000 2.208 334 I HA -0.589 nan 4.170 nan 0.000 0.245 334 I C 1.888 178.148 176.117 0.238 0.000 1.097 334 I CA 3.840 65.356 61.300 0.360 0.000 1.363 334 I CB -0.285 37.837 38.000 0.204 0.000 1.051 334 I HN -0.336 7.967 8.210 0.156 0.000 0.413 335 A N -1.056 121.845 122.820 0.135 0.000 1.877 335 A HA -0.339 nan 4.320 nan 0.000 0.216 335 A C 1.735 179.378 177.584 0.098 0.000 1.186 335 A CA 3.199 55.294 52.037 0.096 0.000 0.620 335 A CB -1.009 18.035 19.000 0.073 0.000 0.822 335 A HN -0.209 8.007 8.150 0.109 0.000 0.443 336 A N -1.613 121.272 122.820 0.109 0.000 1.933 336 A HA -0.263 nan 4.320 nan 0.000 0.218 336 A C 2.285 179.960 177.584 0.152 0.000 1.175 336 A CA 2.923 55.013 52.037 0.090 0.000 0.628 336 A CB -0.744 18.319 19.000 0.104 0.000 0.814 336 A HN 0.217 8.331 8.150 0.119 0.107 0.444 337 L N -2.809 118.566 121.223 0.253 0.000 2.109 337 L HA -0.418 nan 4.340 nan 0.000 0.207 337 L C 2.307 179.392 176.870 0.358 0.000 1.086 337 L CA 3.026 58.070 54.840 0.341 0.000 0.760 337 L CB -0.244 42.013 42.059 0.331 0.000 0.910 337 L HN -0.056 8.322 8.230 0.271 0.015 0.437 338 E N 0.008 120.385 120.200 0.294 0.000 2.051 338 E HA -0.386 nan 4.350 nan 0.000 0.192 338 E C 2.420 179.099 176.600 0.130 0.000 0.991 338 E CA 3.507 60.036 56.400 0.214 0.000 0.799 338 E CB -0.160 29.612 29.700 0.119 0.000 0.748 338 E HN -0.496 7.954 8.360 0.280 0.078 0.449 339 V N 0.029 119.970 119.914 0.045 0.000 2.324 339 V HA -0.381 nan 4.120 nan 0.000 0.250 339 V C 2.161 178.239 176.094 -0.026 0.000 1.060 339 V CA 4.506 66.766 62.300 -0.068 0.000 1.042 339 V CB -1.025 30.593 31.823 -0.341 0.000 0.650 339 V HN -0.119 8.097 8.190 0.043 0.000 0.450 340 L N -2.547 118.687 121.223 0.018 0.000 2.046 340 L HA -0.481 nan 4.340 nan 0.000 0.208 340 L C 2.008 178.822 176.870 -0.094 0.000 1.077 340 L CA 3.351 58.158 54.840 -0.055 0.000 0.747 340 L CB -0.553 41.486 42.059 -0.032 0.000 0.896 340 L HN -0.682 7.592 8.230 0.074 0.000 0.432 341 E N -0.553 119.717 120.200 0.116 0.000 2.016 341 E HA -0.319 nan 4.350 nan 0.000 0.190 341 E C 2.855 179.499 176.600 0.075 0.000 0.985 341 E CA 3.123 59.624 56.400 0.169 0.000 0.802 341 E CB -0.121 29.802 29.700 0.373 0.000 0.762 341 E HN -0.485 7.939 8.360 0.237 0.078 0.448 342 E N 0.157 120.408 120.200 0.085 0.000 2.070 342 E HA -0.283 nan 4.350 nan 0.000 0.197 342 E C 2.248 178.868 176.600 0.034 0.000 1.004 342 E CA 2.665 59.100 56.400 0.059 0.000 0.805 342 E CB 0.058 29.797 29.700 0.066 0.000 0.744 342 E HN 0.070 8.497 8.360 0.112 0.000 0.451 343 E N -4.160 116.053 120.200 0.022 0.000 2.463 343 E HA 0.031 nan 4.350 nan 0.000 0.191 343 E C -0.923 175.664 176.600 -0.022 0.000 1.083 343 E CA -0.550 55.859 56.400 0.014 0.000 0.872 343 E CB -0.442 29.278 29.700 0.034 0.000 0.966 343 E HN -0.685 7.687 8.360 0.020 0.000 0.491 344 N N -2.018 116.654 118.700 -0.046 0.000 2.698 344 N HA -0.356 nan 4.740 nan 0.000 0.258 344 N C 0.372 175.814 175.510 -0.114 0.000 0.978 344 N CA 0.865 53.862 53.050 -0.088 0.000 0.777 344 N CB -1.315 37.140 38.487 -0.052 0.000 0.907 344 N HN -0.333 7.817 8.380 -0.029 0.213 0.543 345 L N -3.388 117.747 121.223 -0.147 0.000 2.275 345 L HA -0.325 nan 4.340 nan 0.000 0.215 345 L C 0.952 177.723 176.870 -0.165 0.000 1.119 345 L CA 2.956 57.715 54.840 -0.136 0.000 0.790 345 L CB -0.816 41.165 42.059 -0.129 0.000 0.919 345 L HN -0.449 7.681 8.230 -0.161 0.003 0.443 346 A N -0.501 122.166 122.820 -0.254 0.000 1.845 346 A HA -0.372 nan 4.320 nan 0.000 0.215 346 A C 1.505 179.009 177.584 -0.133 0.000 1.195 346 A CA 3.866 55.758 52.037 -0.241 0.000 0.616 346 A CB -1.082 17.692 19.000 -0.376 0.000 0.832 346 A HN 0.395 8.317 8.150 -0.328 0.031 0.443 347 E N -1.553 118.576 120.200 -0.119 0.000 2.110 347 E HA -0.395 nan 4.350 nan 0.000 0.193 347 E C 2.179 178.755 176.600 -0.040 0.000 0.988 347 E CA 2.848 59.210 56.400 -0.064 0.000 0.804 347 E CB -1.156 28.512 29.700 -0.054 0.000 0.745 347 E HN -0.102 8.169 8.360 -0.149 0.000 0.458 348 N N 0.483 119.154 118.700 -0.048 0.000 2.120 348 N HA -0.302 nan 4.740 nan 0.000 0.188 348 N C 1.744 177.239 175.510 -0.025 0.000 1.024 348 N CA 3.124 56.156 53.050 -0.030 0.000 0.852 348 N CB 0.250 38.718 38.487 -0.032 0.000 1.003 348 N HN -0.676 7.664 8.380 -0.067 0.000 0.424 349 A N -0.511 122.288 122.820 -0.035 0.000 1.902 349 A HA -0.289 nan 4.320 nan 0.000 0.217 349 A C 2.168 179.759 177.584 0.011 0.000 1.181 349 A CA 3.168 55.193 52.037 -0.020 0.000 0.623 349 A CB -0.758 18.225 19.000 -0.028 0.000 0.818 349 A HN 0.006 8.049 8.150 -0.056 0.074 0.443 350 D N -1.597 118.814 120.400 0.019 0.000 2.084 350 D HA -0.253 nan 4.640 nan 0.000 0.194 350 D C 2.342 178.666 176.300 0.040 0.000 0.990 350 D CA 2.984 57.017 54.000 0.055 0.000 0.826 350 D CB -0.049 40.786 40.800 0.058 0.000 0.971 350 D HN -0.215 8.074 8.370 -0.004 0.079 0.453 351 K N -0.628 119.785 120.400 0.021 0.000 1.991 351 K HA -0.307 nan 4.320 nan 0.000 0.212 351 K C 2.817 179.427 176.600 0.016 0.000 1.049 351 K CA 3.316 59.613 56.287 0.018 0.000 0.932 351 K CB 0.062 32.567 32.500 0.009 0.000 0.717 351 K HN -0.368 7.889 8.250 0.011 0.000 0.441 352 L N -2.487 118.741 121.223 0.009 0.000 2.131 352 L HA -0.320 nan 4.340 nan 0.000 0.210 352 L C 2.201 179.078 176.870 0.013 0.000 1.092 352 L CA 2.556 57.400 54.840 0.007 0.000 0.759 352 L CB -0.652 41.405 42.059 -0.003 0.000 0.903 352 L HN -0.125 8.107 8.230 0.004 0.000 0.435 353 G N -0.565 108.246 108.800 0.019 0.000 2.418 353 G HA2 -0.379 nan 3.960 nan 0.000 0.217 353 G HA3 -0.379 nan 3.960 nan 0.000 0.217 353 G C 0.937 175.855 174.900 0.030 0.000 1.158 353 G CA 2.073 47.191 45.100 0.029 0.000 0.771 353 G HN -0.217 8.069 8.290 0.019 0.015 0.545 354 I N 2.426 123.013 120.570 0.028 0.000 2.226 354 I HA -0.484 nan 4.170 nan 0.000 0.245 354 I C 1.544 177.671 176.117 0.018 0.000 1.100 354 I CA 3.572 64.886 61.300 0.024 0.000 1.374 354 I CB 0.140 38.156 38.000 0.026 0.000 1.057 354 I HN -0.707 7.521 8.210 0.030 0.000 0.413 355 I N -0.407 120.171 120.570 0.014 0.000 2.163 355 I HA -0.529 nan 4.170 nan 0.000 0.240 355 I C 1.825 177.943 176.117 0.002 0.000 1.081 355 I CA 4.140 65.444 61.300 0.006 0.000 1.353 355 I CB -0.124 37.878 38.000 0.003 0.000 1.054 355 I HN -0.788 7.348 8.210 0.015 0.083 0.407 356 L N -0.347 120.881 121.223 0.007 0.000 2.013 356 L HA -0.454 nan 4.340 nan 0.000 0.212 356 L C 1.793 178.667 176.870 0.008 0.000 1.073 356 L CA 3.639 58.481 54.840 0.004 0.000 0.753 356 L CB -0.511 41.569 42.059 0.035 0.000 0.890 356 L HN 0.172 8.410 8.230 0.013 0.000 0.432 357 R N -1.658 118.858 120.500 0.026 0.000 2.075 357 R HA -0.438 nan 4.340 nan 0.000 0.232 357 R C 2.427 178.739 176.300 0.020 0.000 1.126 357 R CA 4.030 60.150 56.100 0.033 0.000 0.963 357 R CB -0.340 29.981 30.300 0.036 0.000 0.858 357 R HN 0.331 8.618 8.270 0.029 0.000 0.435 358 N N -1.070 117.637 118.700 0.013 0.000 2.149 358 N HA -0.298 nan 4.740 nan 0.000 0.188 358 N C 1.806 177.317 175.510 0.002 0.000 1.019 358 N CA 2.820 55.875 53.050 0.009 0.000 0.857 358 N CB -0.569 37.922 38.487 0.007 0.000 0.997 358 N HN -0.276 8.112 8.380 0.013 0.000 0.426 359 E N -1.588 118.607 120.200 -0.009 0.000 2.107 359 E HA -0.161 nan 4.350 nan 0.000 0.191 359 E C 2.742 179.328 176.600 -0.023 0.000 0.982 359 E CA 1.629 58.015 56.400 -0.023 0.000 0.809 359 E CB 0.017 29.691 29.700 -0.044 0.000 0.756 359 E HN -0.378 7.965 8.360 -0.009 0.011 0.459 360 L N 0.206 121.418 121.223 -0.017 0.000 2.141 360 L HA -0.273 nan 4.340 nan 0.000 0.209 360 L C 2.346 179.232 176.870 0.027 0.000 1.094 360 L CA 2.806 57.647 54.840 0.001 0.000 0.763 360 L CB -0.057 42.020 42.059 0.031 0.000 0.908 360 L HN -0.105 8.116 8.230 -0.015 0.000 0.437 361 M N -4.522 115.093 119.600 0.025 0.000 2.700 361 M HA -0.280 nan 4.480 nan 0.000 0.249 361 M C 0.855 177.169 176.300 0.023 0.000 1.082 361 M CA 2.157 57.474 55.300 0.029 0.000 1.077 361 M CB -0.414 32.200 32.600 0.024 0.000 1.477 361 M HN -0.304 7.983 8.290 0.020 0.015 0.529 362 K N -3.020 117.390 120.400 0.016 0.000 2.361 362 K HA -0.073 nan 4.320 nan 0.000 0.196 362 K C 0.169 176.780 176.600 0.018 0.000 1.039 362 K CA -0.168 56.126 56.287 0.012 0.000 1.001 362 K CB 0.437 32.938 32.500 0.002 0.000 0.795 362 K HN -0.675 7.393 8.250 0.011 0.189 0.495 363 L N 1.664 122.904 121.223 0.028 0.000 2.467 363 L HA 0.009 nan 4.340 nan 0.000 0.270 363 L C -1.344 175.554 176.870 0.047 0.000 1.205 363 L CA -1.849 53.016 54.840 0.043 0.000 0.828 363 L CB -0.483 41.616 42.059 0.067 0.000 1.101 363 L HN -0.622 7.472 8.230 0.029 0.154 0.479 364 P HA 0.060 nan 4.420 nan 0.000 0.267 364 P C 0.657 177.993 177.300 0.060 0.000 1.209 364 P CA -0.161 62.964 63.100 0.042 0.000 0.763 364 P CB 0.698 32.414 31.700 0.027 0.000 0.816 365 S N 4.040 119.770 115.700 0.050 0.000 2.402 365 S HA -0.297 nan 4.470 nan 0.000 0.233 365 S C 0.137 174.780 174.600 0.071 0.000 1.030 365 S CA 2.751 60.985 58.200 0.056 0.000 1.003 365 S CB -0.204 63.020 63.200 0.040 0.000 0.813 365 S HN 0.529 8.862 8.310 0.038 0.000 0.477 366 D N -2.392 118.047 120.400 0.065 0.000 2.338 366 D HA -0.008 nan 4.640 nan 0.000 0.239 366 D C -0.102 176.277 176.300 0.132 0.000 1.095 366 D CA 0.533 54.579 54.000 0.076 0.000 0.888 366 D CB -0.489 40.336 40.800 0.041 0.000 0.899 366 D HN -0.011 8.357 8.370 0.049 0.031 0.525 367 V N -1.438 118.580 119.914 0.175 0.000 3.442 367 V HA 0.170 nan 4.120 nan 0.000 0.205 367 V C -1.154 175.138 176.094 0.329 0.000 1.320 367 V CA 1.804 64.312 62.300 0.347 0.000 1.306 367 V CB 3.365 35.319 31.823 0.219 0.000 1.267 367 V HN -0.389 7.766 8.190 0.138 0.117 0.538 368 V N 0.465 120.497 119.914 0.198 0.000 2.318 368 V HA 0.196 nan 4.120 nan 0.000 0.271 368 V C 0.147 176.295 176.094 0.090 0.000 1.030 368 V CA 0.127 62.506 62.300 0.133 0.000 0.844 368 V CB -0.478 31.421 31.823 0.126 0.000 1.015 368 V HN -0.152 8.136 8.190 0.164 0.000 0.460 369 T N 2.246 116.840 114.554 0.066 0.000 3.043 369 T HA 0.026 nan 4.350 nan 0.000 0.263 369 T C 0.056 174.778 174.700 0.037 0.000 1.094 369 T CA 0.315 62.443 62.100 0.047 0.000 1.127 369 T CB 0.320 69.208 68.868 0.034 0.000 0.905 369 T HN 0.583 8.856 8.240 0.054 0.000 0.490 370 A N 0.331 123.174 122.820 0.037 0.000 2.604 370 A HA 0.285 nan 4.320 nan 0.000 0.295 370 A C -2.800 174.813 177.584 0.047 0.000 1.067 370 A CA -0.331 51.727 52.037 0.035 0.000 0.683 370 A CB 2.281 21.294 19.000 0.022 0.000 1.281 370 A HN -0.718 7.421 8.150 0.041 0.036 0.407 371 V N 0.723 120.666 119.914 0.049 0.000 2.577 371 V HA 0.698 nan 4.120 nan 0.000 0.303 371 V C -1.220 174.905 176.094 0.052 0.000 1.042 371 V CA -0.862 61.477 62.300 0.066 0.000 0.872 371 V CB 1.884 33.748 31.823 0.068 0.000 0.998 371 V HN 0.282 8.496 8.190 0.040 0.000 0.423 372 R N 4.087 124.622 120.500 0.059 0.000 2.710 372 R HA 0.561 nan 4.340 nan 0.000 0.270 372 R C -2.077 174.254 176.300 0.052 0.000 1.021 372 R CA -1.926 54.200 56.100 0.044 0.000 0.889 372 R CB 3.772 34.092 30.300 0.034 0.000 1.243 372 R HN 1.005 9.320 8.270 0.075 0.000 0.464 373 G N -1.148 107.673 108.800 0.035 0.000 2.362 373 G HA2 0.012 nan 3.960 nan 0.000 0.288 373 G HA3 0.012 nan 3.960 nan 0.000 0.288 373 G C -2.739 172.164 174.900 0.005 0.000 1.305 373 G CA 0.106 45.227 45.100 0.035 0.000 0.910 373 G HN 0.014 8.316 8.290 0.020 0.000 0.518 374 K N -0.105 120.300 120.400 0.010 0.000 2.543 374 K HA 0.341 nan 4.320 nan 0.000 0.255 374 K C -0.076 176.550 176.600 0.045 0.000 0.934 374 K CA -0.955 55.320 56.287 -0.019 0.000 0.810 374 K CB 3.713 36.152 32.500 -0.101 0.000 1.315 374 K HN 0.300 8.570 8.250 0.034 0.000 0.433 375 G N 3.685 112.524 108.800 0.066 0.000 2.596 375 G HA2 -0.373 nan 3.960 nan 0.000 0.295 375 G HA3 -0.373 nan 3.960 nan 0.000 0.295 375 G C 0.199 175.126 174.900 0.045 0.000 1.240 375 G CA 1.271 46.415 45.100 0.073 0.000 0.985 375 G HN 0.516 8.841 8.290 0.058 0.000 0.555 376 L N 1.540 122.779 121.223 0.028 0.000 2.688 376 L HA 0.320 nan 4.340 nan 0.000 0.234 376 L C -0.929 175.956 176.870 0.024 0.000 1.192 376 L CA -1.202 53.642 54.840 0.006 0.000 0.984 376 L CB -1.630 40.401 42.059 -0.046 0.000 1.232 376 L HN -0.160 8.086 8.230 0.027 0.000 0.465 377 L N 1.768 123.020 121.223 0.049 0.000 2.335 377 L HA 0.326 nan 4.340 nan 0.000 0.268 377 L C -2.693 174.220 176.870 0.072 0.000 1.037 377 L CA -1.051 53.825 54.840 0.059 0.000 0.895 377 L CB 0.514 42.611 42.059 0.063 0.000 1.266 377 L HN -0.075 8.096 8.230 0.053 0.091 0.439 378 N N 4.772 123.532 118.700 0.101 0.000 2.509 378 N HA 0.843 nan 4.740 nan 0.000 0.280 378 N C -2.534 173.046 175.510 0.117 0.000 1.306 378 N CA -1.024 52.099 53.050 0.120 0.000 0.782 378 N CB 4.865 43.453 38.487 0.168 0.000 1.493 378 N HN -0.428 8.020 8.380 0.114 0.000 0.498 379 A N -1.767 121.115 122.820 0.104 0.000 2.605 379 A HA 0.857 nan 4.320 nan 0.000 0.294 379 A C -2.926 174.697 177.584 0.064 0.000 1.062 379 A CA -0.307 51.748 52.037 0.030 0.000 0.682 379 A CB 3.555 22.546 19.000 -0.014 0.000 1.278 379 A HN 0.976 9.192 8.150 0.111 0.000 0.410 380 I N -5.149 115.433 120.570 0.019 0.000 2.689 380 I HA 0.882 nan 4.170 nan 0.000 0.299 380 I C -1.793 174.314 176.117 -0.015 0.000 1.059 380 I CA -2.412 58.923 61.300 0.059 0.000 1.055 380 I CB 3.464 41.564 38.000 0.166 0.000 1.243 380 I HN 0.406 8.556 8.210 -0.100 0.000 0.425 381 V N 3.535 123.446 119.914 -0.005 0.000 2.333 381 V HA 0.536 nan 4.120 nan 0.000 0.274 381 V C -0.607 175.452 176.094 -0.058 0.000 1.028 381 V CA -1.387 60.889 62.300 -0.040 0.000 0.851 381 V CB -0.208 31.602 31.823 -0.022 0.000 1.000 381 V HN 0.525 8.624 8.190 0.023 0.105 0.456 382 I N 8.118 128.597 120.570 -0.152 0.000 2.416 382 I HA 0.181 nan 4.170 nan 0.000 0.288 382 I C -0.691 175.273 176.117 -0.255 0.000 1.051 382 I CA -2.289 58.843 61.300 -0.281 0.000 1.375 382 I CB -0.243 37.400 38.000 -0.596 0.000 1.407 382 I HN 0.730 8.837 8.210 -0.171 0.000 0.516 383 K N 9.050 129.399 120.400 -0.085 0.000 2.237 383 K HA -0.149 nan 4.320 nan 0.000 0.283 383 K C -1.041 175.523 176.600 -0.059 0.000 1.080 383 K CA -0.296 55.997 56.287 0.009 0.000 0.965 383 K CB 0.033 32.629 32.500 0.160 0.000 1.098 383 K HN 0.615 8.893 8.250 0.046 0.000 0.434 384 E N 6.266 126.363 120.200 -0.172 0.000 2.417 384 E HA -0.128 nan 4.350 nan 0.000 0.261 384 E C -0.547 176.061 176.600 0.014 0.000 1.000 384 E CA 0.715 56.994 56.400 -0.201 0.000 0.919 384 E CB 0.723 30.328 29.700 -0.159 0.000 0.955 384 E HN -0.257 8.014 8.360 -0.148 0.000 0.455 385 T N 3.840 118.476 114.554 0.136 0.000 2.645 385 T HA 0.298 nan 4.350 nan 0.000 0.273 385 T C -0.459 174.335 174.700 0.156 0.000 0.960 385 T CA -1.617 60.600 62.100 0.195 0.000 1.051 385 T CB 1.033 70.077 68.868 0.293 0.000 1.366 385 T HN 0.287 8.600 8.240 0.122 0.000 0.536 386 K N -0.812 119.666 120.400 0.129 0.000 2.589 386 K HA -0.025 nan 4.320 nan 0.000 0.192 386 K C -0.939 175.733 176.600 0.119 0.000 1.029 386 K CA 0.910 57.255 56.287 0.096 0.000 1.031 386 K CB -0.477 32.064 32.500 0.068 0.000 0.821 386 K HN 0.186 8.509 8.250 0.122 0.000 0.502 387 D N -2.264 118.249 120.400 0.187 0.000 3.118 387 D HA 0.195 nan 4.640 nan 0.000 0.222 387 D C -1.453 175.032 176.300 0.308 0.000 1.470 387 D CA 0.668 54.793 54.000 0.208 0.000 1.347 387 D CB 1.745 42.640 40.800 0.159 0.000 1.221 387 D HN -0.580 7.822 8.370 0.252 0.119 0.326 388 W N -1.879 119.424 121.300 0.006 0.000 2.485 388 W HA 0.481 nan 4.660 nan 0.000 0.364 388 W C -2.260 174.211 176.519 -0.079 0.000 1.171 388 W CA -2.821 54.484 57.345 -0.066 0.000 1.304 388 W CB 1.586 30.876 29.460 -0.283 0.000 1.335 388 W HN -0.656 7.973 8.180 0.749 0.000 0.643 389 D N -4.728 115.480 120.400 -0.321 0.000 2.677 389 D HA 0.202 nan 4.640 nan 0.000 0.298 389 D C -0.417 175.621 176.300 -0.437 0.000 1.250 389 D CA -0.744 53.002 54.000 -0.423 0.000 0.888 389 D CB 2.335 43.054 40.800 -0.135 0.000 1.397 389 D HN -0.273 7.995 8.370 -0.169 0.000 0.461 390 A N -1.591 121.032 122.820 -0.328 0.000 1.940 390 A HA -0.238 nan 4.320 nan 0.000 0.219 390 A C 1.483 179.031 177.584 -0.060 0.000 1.176 390 A CA 3.225 55.119 52.037 -0.239 0.000 0.631 390 A CB -0.312 18.589 19.000 -0.166 0.000 0.814 390 A HN 0.305 8.286 8.150 -0.281 0.000 0.446 391 W N -1.206 120.006 121.300 -0.147 0.000 2.355 391 W HA -0.450 nan 4.660 nan 0.000 0.309 391 W C 1.529 178.036 176.519 -0.021 0.000 1.206 391 W CA 3.283 60.586 57.345 -0.071 0.000 1.284 391 W CB 0.067 29.504 29.460 -0.038 0.000 1.145 391 W HN -0.533 7.815 8.180 0.173 -0.065 0.502 392 K N -2.366 118.108 120.400 0.124 0.000 2.097 392 K HA -0.425 nan 4.320 nan 0.000 0.206 392 K C 2.306 179.012 176.600 0.177 0.000 1.049 392 K CA 3.566 59.938 56.287 0.141 0.000 0.933 392 K CB -0.150 32.510 32.500 0.266 0.000 0.717 392 K HN -0.539 8.091 8.250 0.185 -0.269 0.442 393 V N 0.022 119.947 119.914 0.018 0.000 2.343 393 V HA -0.381 nan 4.120 nan 0.000 0.247 393 V C 1.886 178.040 176.094 0.100 0.000 1.051 393 V CA 4.494 66.862 62.300 0.113 0.000 1.036 393 V CB -0.899 30.867 31.823 -0.096 0.000 0.654 393 V HN -0.449 7.666 8.190 -0.125 0.000 0.451 394 C N -0.472 118.784 119.300 -0.073 0.000 2.435 394 C HA -0.298 nan 4.460 nan 0.000 0.279 394 C C 2.137 177.002 174.990 -0.208 0.000 1.321 394 C CA 4.590 63.513 59.018 -0.158 0.000 1.752 394 C CB -2.153 25.420 27.740 -0.279 0.000 1.959 394 C HN -0.357 7.734 8.230 -0.116 0.069 0.500 395 L N -0.264 120.803 121.223 -0.261 0.000 2.056 395 L HA -0.439 nan 4.340 nan 0.000 0.207 395 L C 2.084 178.927 176.870 -0.046 0.000 1.078 395 L CA 3.412 58.117 54.840 -0.224 0.000 0.749 395 L CB -0.558 41.375 42.059 -0.209 0.000 0.901 395 L HN 0.113 8.069 8.230 -0.268 0.114 0.433 396 R N -0.860 119.677 120.500 0.062 0.000 2.115 396 R HA -0.273 nan 4.340 nan 0.000 0.226 396 R C 2.654 178.993 176.300 0.066 0.000 1.100 396 R CA 3.185 59.328 56.100 0.072 0.000 0.980 396 R CB -0.013 30.345 30.300 0.097 0.000 0.875 396 R HN -0.346 8.005 8.270 0.134 0.000 0.445 397 L N -1.021 120.253 121.223 0.085 0.000 2.083 397 L HA -0.330 nan 4.340 nan 0.000 0.209 397 L C 1.472 178.384 176.870 0.071 0.000 1.083 397 L CA 3.009 57.894 54.840 0.074 0.000 0.752 397 L CB -0.340 41.765 42.059 0.077 0.000 0.899 397 L HN 0.397 8.583 8.230 0.104 0.106 0.433 398 R N -0.816 119.709 120.500 0.042 0.000 2.073 398 R HA -0.373 nan 4.340 nan 0.000 0.234 398 R C 2.357 178.769 176.300 0.187 0.000 1.134 398 R CA 3.606 59.755 56.100 0.081 0.000 0.952 398 R CB -0.487 29.786 30.300 -0.045 0.000 0.850 398 R HN -0.169 8.094 8.270 -0.005 0.005 0.433 399 D N -0.321 120.138 120.400 0.099 0.000 2.263 399 D HA -0.141 nan 4.640 nan 0.000 0.208 399 D C 1.389 177.725 176.300 0.060 0.000 0.971 399 D CA 2.606 56.655 54.000 0.081 0.000 0.867 399 D CB -0.596 40.225 40.800 0.035 0.000 0.929 399 D HN -0.251 8.074 8.370 0.054 0.077 0.492 400 N N -3.678 115.060 118.700 0.063 0.000 2.270 400 N HA 0.120 nan 4.740 nan 0.000 0.198 400 N C -0.272 175.277 175.510 0.065 0.000 1.117 400 N CA -0.108 52.966 53.050 0.040 0.000 0.845 400 N CB 0.774 39.274 38.487 0.022 0.000 0.980 400 N HN -0.602 7.664 8.380 0.075 0.160 0.486 401 G N -1.653 107.217 108.800 0.118 0.000 2.131 401 G HA2 -0.303 nan 3.960 nan 0.000 0.201 401 G HA3 -0.303 nan 3.960 nan 0.000 0.201 401 G C -2.118 172.980 174.900 0.330 0.000 1.000 401 G CA 0.079 45.267 45.100 0.146 0.000 0.680 401 G HN -0.095 8.118 8.290 0.167 0.177 0.514 402 L N -1.387 120.010 121.223 0.290 0.000 2.436 402 L HA 0.824 nan 4.340 nan 0.000 0.268 402 L C -2.213 174.752 176.870 0.158 0.000 0.974 402 L CA -0.932 54.047 54.840 0.232 0.000 0.826 402 L CB 2.792 44.853 42.059 0.004 0.000 1.291 402 L HN -0.317 8.058 8.230 0.242 0.000 0.406 403 L N 5.468 126.786 121.223 0.158 0.000 2.296 403 L HA 0.449 nan 4.340 nan 0.000 0.286 403 L C -1.877 175.047 176.870 0.090 0.000 1.023 403 L CA -1.001 53.859 54.840 0.034 0.000 0.812 403 L CB 1.659 43.678 42.059 -0.068 0.000 1.223 403 L HN 0.929 9.313 8.230 0.258 0.000 0.421 404 A N 3.051 125.874 122.820 0.004 0.000 2.602 404 A HA 0.491 nan 4.320 nan 0.000 0.290 404 A C -1.780 175.741 177.584 -0.105 0.000 1.114 404 A CA -0.516 51.514 52.037 -0.011 0.000 0.683 404 A CB 3.043 22.048 19.000 0.010 0.000 1.281 404 A HN 0.012 8.126 8.150 -0.061 0.000 0.416 405 K N -1.426 118.904 120.400 -0.116 0.000 2.501 405 K HA 0.495 nan 4.320 nan 0.000 0.252 405 K C -2.736 173.820 176.600 -0.073 0.000 0.934 405 K CA -3.503 52.735 56.287 -0.081 0.000 0.797 405 K CB 2.519 34.992 32.500 -0.045 0.000 1.270 405 K HN 0.417 8.591 8.250 -0.125 0.000 0.431 406 P HA 0.229 nan 4.420 nan 0.000 0.282 406 P C -0.087 177.195 177.300 -0.031 0.000 1.274 406 P CA -0.395 62.686 63.100 -0.031 0.000 0.770 406 P CB 0.193 31.919 31.700 0.043 0.000 0.867 407 T N 0.814 115.327 114.554 -0.068 0.000 2.698 407 T HA -0.137 nan 4.350 nan 0.000 0.260 407 T C 0.543 175.074 174.700 -0.282 0.000 1.044 407 T CA 1.902 63.923 62.100 -0.132 0.000 1.149 407 T CB 0.217 69.049 68.868 -0.059 0.000 0.864 407 T HN 0.255 8.452 8.240 -0.071 0.000 0.419 408 H N 1.238 120.273 119.070 -0.057 0.000 2.471 408 H HA 0.264 nan 4.556 nan 0.000 0.234 408 H C 0.153 175.443 175.328 -0.064 0.000 1.388 408 H CA -0.595 55.416 56.048 -0.061 0.000 1.198 408 H CB -0.379 29.347 29.762 -0.060 0.000 1.714 408 H HN -0.362 7.939 8.280 0.035 0.000 0.536 409 G N 3.364 112.163 108.800 -0.001 0.000 2.396 409 G HA2 -0.450 nan 3.960 nan 0.000 0.242 409 G HA3 -0.450 nan 3.960 nan 0.000 0.242 409 G C -0.160 174.704 174.900 -0.059 0.000 1.069 409 G CA 1.718 46.803 45.100 -0.026 0.000 0.633 409 G HN 0.516 8.786 8.290 -0.033 0.000 0.517 410 D N -1.473 118.888 120.400 -0.065 0.000 2.538 410 D HA 0.149 nan 4.640 nan 0.000 0.241 410 D C -1.630 174.593 176.300 -0.129 0.000 1.297 410 D CA -0.656 53.264 54.000 -0.133 0.000 0.804 410 D CB 1.237 41.958 40.800 -0.132 0.000 1.122 410 D HN -0.299 7.965 8.370 -0.024 0.091 0.519 411 I N -1.030 119.489 120.570 -0.085 0.000 2.460 411 I HA 0.597 nan 4.170 nan 0.000 0.298 411 I C -1.173 174.861 176.117 -0.138 0.000 0.989 411 I CA -1.130 60.117 61.300 -0.088 0.000 1.173 411 I CB 2.585 40.568 38.000 -0.028 0.000 1.338 411 I HN -0.656 7.521 8.210 -0.055 0.000 0.456 412 I N 4.644 125.087 120.570 -0.212 0.000 2.447 412 I HA 0.361 nan 4.170 nan 0.000 0.287 412 I C -1.958 173.855 176.117 -0.508 0.000 1.023 412 I CA -1.371 59.711 61.300 -0.363 0.000 1.083 412 I CB 2.758 40.480 38.000 -0.464 0.000 1.245 412 I HN 0.682 8.778 8.210 -0.190 0.000 0.434 413 R N 6.791 127.056 120.500 -0.393 0.000 2.357 413 R HA 0.253 nan 4.340 nan 0.000 0.296 413 R C -0.658 175.421 176.300 -0.369 0.000 1.052 413 R CA -0.267 55.667 56.100 -0.277 0.000 0.988 413 R CB 1.564 31.806 30.300 -0.096 0.000 1.025 413 R HN -0.235 7.859 8.270 -0.293 0.000 0.469 414 F N 6.766 126.789 119.950 0.122 0.000 2.552 414 F HA 0.144 nan 4.527 nan 0.000 0.369 414 F C -2.046 173.833 175.800 0.132 0.000 1.112 414 F CA -1.615 56.541 58.000 0.259 0.000 1.129 414 F CB 1.126 40.301 39.000 0.291 0.000 1.360 414 F HN 0.619 8.845 8.300 0.072 0.117 0.473 415 A N 4.083 127.007 122.820 0.173 0.000 2.646 415 A HA 0.474 nan 4.320 nan 0.000 0.312 415 A C -2.601 174.842 177.584 -0.234 0.000 1.245 415 A CA -2.485 49.530 52.037 -0.036 0.000 0.755 415 A CB 0.821 19.823 19.000 0.004 0.000 1.132 415 A HN 0.338 8.519 8.150 0.222 0.102 0.458 416 P HA 0.363 nan 4.420 nan 0.000 0.284 416 P C -2.474 174.646 177.300 -0.299 0.000 1.258 416 P CA -2.259 60.455 63.100 -0.643 0.000 0.824 416 P CB -0.397 30.552 31.700 -1.252 0.000 1.038 417 P HA -0.105 nan 4.420 nan 0.000 0.264 417 P C 0.404 177.645 177.300 -0.098 0.000 1.183 417 P CA 0.601 63.636 63.100 -0.108 0.000 0.763 417 P CB 0.044 31.711 31.700 -0.056 0.000 0.807 418 L N 3.487 124.669 121.223 -0.070 0.000 2.642 418 L HA -0.267 nan 4.340 nan 0.000 0.236 418 L C 0.561 177.409 176.870 -0.037 0.000 1.169 418 L CA 2.324 57.129 54.840 -0.059 0.000 0.851 418 L CB -1.014 41.010 42.059 -0.058 0.000 0.968 418 L HN 0.329 8.428 8.230 -0.062 0.094 0.453 419 V N -7.903 112.000 119.914 -0.017 0.000 3.649 419 V HA 0.114 nan 4.120 nan 0.000 0.275 419 V C 0.180 176.278 176.094 0.007 0.000 1.281 419 V CA -1.681 60.628 62.300 0.015 0.000 1.143 419 V CB -1.025 30.835 31.823 0.062 0.000 0.892 419 V HN -0.482 7.602 8.190 -0.022 0.092 0.441 420 I N 0.358 120.914 120.570 -0.023 0.000 2.752 420 I HA -0.189 nan 4.170 nan 0.000 0.287 420 I C -0.644 175.480 176.117 0.012 0.000 1.188 420 I CA 1.063 62.355 61.300 -0.014 0.000 1.427 420 I CB 0.858 38.824 38.000 -0.057 0.000 1.365 420 I HN -0.580 7.532 8.210 -0.047 0.070 0.585 421 K N 6.514 126.939 120.400 0.042 0.000 2.123 421 K HA 0.295 nan 4.320 nan 0.000 0.248 421 K C 0.217 176.844 176.600 0.045 0.000 0.969 421 K CA -1.656 54.658 56.287 0.045 0.000 0.882 421 K CB 1.485 34.023 32.500 0.063 0.000 1.080 421 K HN -0.088 8.438 8.250 0.062 -0.239 0.441 422 E N 2.850 123.070 120.200 0.033 0.000 2.070 422 E HA -0.479 nan 4.350 nan 0.000 0.197 422 E C 1.421 178.040 176.600 0.032 0.000 1.004 422 E CA 4.256 60.671 56.400 0.026 0.000 0.805 422 E CB -0.396 29.317 29.700 0.020 0.000 0.744 422 E HN 0.797 9.175 8.360 0.030 0.000 0.451 423 D N -3.550 116.880 120.400 0.049 0.000 2.117 423 D HA -0.265 nan 4.640 nan 0.000 0.197 423 D C 2.396 178.747 176.300 0.085 0.000 0.987 423 D CA 3.396 57.431 54.000 0.059 0.000 0.829 423 D CB -1.268 39.574 40.800 0.070 0.000 0.961 423 D HN 0.410 8.811 8.370 0.051 0.000 0.460 424 E N 0.377 120.653 120.200 0.128 0.000 2.106 424 E HA -0.251 nan 4.350 nan 0.000 0.192 424 E C 2.498 179.130 176.600 0.053 0.000 0.984 424 E CA 2.236 58.770 56.400 0.223 0.000 0.806 424 E CB -0.346 29.530 29.700 0.293 0.000 0.750 424 E HN -0.803 7.625 8.360 0.114 0.000 0.458 425 L N 0.113 121.350 121.223 0.023 0.000 2.056 425 L HA -0.295 nan 4.340 nan 0.000 0.207 425 L C 1.772 178.592 176.870 -0.084 0.000 1.078 425 L CA 3.028 57.858 54.840 -0.017 0.000 0.749 425 L CB -0.207 41.858 42.059 0.010 0.000 0.901 425 L HN 0.395 8.553 8.230 0.048 0.101 0.433 426 R N -1.285 119.185 120.500 -0.050 0.000 2.081 426 R HA -0.387 nan 4.340 nan 0.000 0.235 426 R C 2.216 178.458 176.300 -0.096 0.000 1.131 426 R CA 2.993 59.057 56.100 -0.060 0.000 0.960 426 R CB -0.784 29.504 30.300 -0.019 0.000 0.856 426 R HN 0.303 8.365 8.270 -0.012 0.201 0.436 427 E N -0.607 119.545 120.200 -0.080 0.000 2.077 427 E HA -0.314 nan 4.350 nan 0.000 0.193 427 E C 2.395 178.839 176.600 -0.261 0.000 0.989 427 E CA 3.204 59.559 56.400 -0.075 0.000 0.800 427 E CB -0.133 29.632 29.700 0.108 0.000 0.746 427 E HN -0.066 8.276 8.360 -0.031 0.000 0.452 428 S N -0.215 115.144 115.700 -0.568 0.000 2.383 428 S HA -0.268 nan 4.470 nan 0.000 0.227 428 S C 2.346 176.623 174.600 -0.539 0.000 1.026 428 S CA 3.306 61.025 58.200 -0.802 0.000 0.981 428 S CB -0.048 62.483 63.200 -1.116 0.000 0.818 428 S HN -0.391 7.585 8.310 -0.556 0.000 0.472 429 I N 3.027 123.371 120.570 -0.377 0.000 2.208 429 I HA -0.520 nan 4.170 nan 0.000 0.245 429 I C 1.828 177.807 176.117 -0.231 0.000 1.097 429 I CA 4.231 65.351 61.300 -0.302 0.000 1.363 429 I CB -0.432 37.457 38.000 -0.186 0.000 1.051 429 I HN 0.415 8.435 8.210 -0.318 0.000 0.413 430 E N -0.474 119.619 120.200 -0.179 0.000 2.110 430 E HA -0.293 nan 4.350 nan 0.000 0.193 430 E C 2.787 179.317 176.600 -0.117 0.000 0.988 430 E CA 2.945 59.275 56.400 -0.117 0.000 0.804 430 E CB -0.650 29.004 29.700 -0.077 0.000 0.745 430 E HN -0.381 7.782 8.360 -0.182 0.088 0.458 431 I N 0.081 120.554 120.570 -0.161 0.000 2.252 431 I HA -0.437 nan 4.170 nan 0.000 0.245 431 I C 2.016 178.056 176.117 -0.129 0.000 1.102 431 I CA 3.909 65.133 61.300 -0.127 0.000 1.385 431 I CB -0.072 37.843 38.000 -0.142 0.000 1.064 431 I HN -0.588 7.374 8.210 -0.216 0.118 0.414 432 I N 0.267 120.702 120.570 -0.224 0.000 2.179 432 I HA -0.688 nan 4.170 nan 0.000 0.242 432 I C 1.780 177.855 176.117 -0.070 0.000 1.088 432 I CA 4.742 65.924 61.300 -0.197 0.000 1.357 432 I CB -0.510 37.230 38.000 -0.433 0.000 1.051 432 I HN 0.217 8.161 8.210 -0.314 0.077 0.409 433 N N -0.029 118.619 118.700 -0.087 0.000 2.043 433 N HA -0.350 nan 4.740 nan 0.000 0.193 433 N C 2.148 177.657 175.510 -0.002 0.000 1.037 433 N CA 3.532 56.562 53.050 -0.033 0.000 0.851 433 N CB -0.305 38.153 38.487 -0.049 0.000 1.027 433 N HN 0.076 8.373 8.380 -0.137 0.000 0.422 434 K N -1.379 119.009 120.400 -0.020 0.000 2.147 434 K HA -0.253 nan 4.320 nan 0.000 0.205 434 K C 1.370 177.972 176.600 0.003 0.000 1.049 434 K CA 2.864 59.142 56.287 -0.015 0.000 0.936 434 K CB -0.543 31.939 32.500 -0.029 0.000 0.722 434 K HN -0.064 8.161 8.250 -0.042 0.000 0.446 435 T N 0.335 114.912 114.554 0.038 0.000 2.732 435 T HA -0.102 nan 4.350 nan 0.000 0.261 435 T C 2.481 177.345 174.700 0.272 0.000 1.040 435 T CA 3.281 65.443 62.100 0.103 0.000 1.145 435 T CB 0.000 68.958 68.868 0.150 0.000 0.866 435 T HN -0.594 7.647 8.240 0.022 0.012 0.427 436 I N 2.590 123.329 120.570 0.281 0.000 2.163 436 I HA -0.351 nan 4.170 nan 0.000 0.243 436 I C 1.790 178.065 176.117 0.263 0.000 1.085 436 I CA 2.520 64.040 61.300 0.367 0.000 1.347 436 I CB -0.983 37.161 38.000 0.241 0.000 1.044 436 I HN 0.225 8.546 8.210 0.184 0.000 0.408 437 L N -2.150 119.144 121.223 0.119 0.000 2.650 437 L HA -0.159 nan 4.340 nan 0.000 0.235 437 L C 0.742 177.608 176.870 -0.007 0.000 1.149 437 L CA 1.429 56.291 54.840 0.037 0.000 0.887 437 L CB -0.810 41.255 42.059 0.010 0.000 1.021 437 L HN 0.139 8.428 8.230 0.099 0.000 0.441 438 S N -1.375 114.311 115.700 -0.022 0.000 2.556 438 S HA 0.012 nan 4.470 nan 0.000 0.216 438 S C -0.046 174.396 174.600 -0.264 0.000 0.970 438 S CA 0.935 59.040 58.200 -0.159 0.000 0.912 438 S CB 0.708 63.771 63.200 -0.229 0.000 0.790 438 S HN -0.471 7.677 8.310 0.053 0.195 0.504 439 F N 0.000 119.867 119.950 -0.138 0.000 2.286 439 F HA 0.000 nan 4.527 nan 0.000 0.279 439 F CA 0.000 57.871 58.000 -0.215 0.000 1.383 439 F CB 0.000 38.773 39.000 -0.379 0.000 1.145 439 F HN 0.000 8.329 8.300 0.132 0.051 0.574