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 3mj4_1_E DATA FIRST_RESID 29 DATA SEQUENCE GFDYLIVGAG FAGSVLAERL ASSGQRVLIV DRRPHIGGNA YDCYDDAGVL DATA SEQUENCE IHPYGPHIFH TNSKDVFEYL SRFTEWRPYQ HRVLASVDGQ LLPIPINLDT DATA SEQUENCE VNRLYGLNLT SFQVEEFFAS VAEKVEQVRT SEDVVVSKVG RDLYNKFFRG DATA SEQUENCE YTRKQWGLDP SELDASVTAR VPTRTNRDNR YFADTYQAMP LHGYTRMFQN DATA SEQUENCE MLSSPNIKVM LNTDYREIAD FIPFQHMIYT GPVDAFFDFC YGKLPYRSLE DATA SEQUENCE FRHETHDTEQ LLPTGTVNYP NDYAYTRVSE FKHITGQRHH QTSVVYEYPR DATA SEQUENCE AEGDPYYPVP RPENAELYKK YEALADAAQD VTFVGRLATY RYYNMDQVVA DATA SEQUENCE QALATFRRLQ G 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 29 G HA2 0.000 nan 3.960 nan 0.000 0.244 29 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 29 G C 0.000 174.654 174.900 -0.410 0.000 0.946 29 G CA 0.000 44.950 45.100 -0.249 0.000 0.502 30 F N 0.336 120.346 119.950 0.101 0.000 2.495 30 F HA 0.441 4.968 4.527 0.000 0.000 0.327 30 F C 0.647 176.509 175.800 0.103 0.000 1.103 30 F CA -0.525 57.542 58.000 0.112 0.000 0.949 30 F CB 2.496 41.577 39.000 0.134 0.000 1.142 30 F HN 0.397 nan 8.300 nan 0.000 0.457 31 D N 0.651 121.212 120.400 0.269 0.000 2.183 31 D HA -0.095 4.545 4.640 0.000 0.000 0.203 31 D C -0.780 175.482 176.300 -0.065 0.000 0.969 31 D CA 1.890 55.942 54.000 0.088 0.000 0.842 31 D CB 0.038 40.906 40.800 0.114 0.000 0.957 31 D HN 0.302 nan 8.370 nan 0.000 0.484 32 Y N -0.795 119.633 120.300 0.213 0.000 2.421 32 Y HA 0.403 4.953 4.550 0.000 0.000 0.339 32 Y C -0.961 174.932 175.900 -0.011 0.000 0.996 32 Y CA -1.249 56.912 58.100 0.102 0.000 1.046 32 Y CB 1.844 40.313 38.460 0.014 0.000 1.226 32 Y HN -0.260 nan 8.280 nan 0.000 0.445 33 L N 5.361 126.593 121.223 0.014 0.000 2.295 33 L HA 0.650 4.990 4.340 0.000 0.000 0.281 33 L C -1.405 175.291 176.870 -0.290 0.000 1.018 33 L CA -0.095 54.575 54.840 -0.285 0.000 0.841 33 L CB 0.075 41.690 42.059 -0.741 0.000 1.218 33 L HN 0.530 nan 8.230 nan 0.000 0.424 34 I N 5.449 125.868 120.570 -0.251 0.000 2.353 34 I HA 0.340 4.510 4.170 0.000 0.000 0.293 34 I C -0.494 175.451 176.117 -0.287 0.000 0.992 34 I CA -0.802 60.344 61.300 -0.256 0.000 1.268 34 I CB 1.674 39.544 38.000 -0.217 0.000 1.387 34 I HN 0.271 nan 8.210 nan 0.000 0.478 35 V N 5.476 125.190 119.914 -0.334 0.000 2.347 35 V HA 0.766 4.886 4.120 0.000 0.000 0.280 35 V C 0.385 176.254 176.094 -0.375 0.000 1.021 35 V CA -0.400 61.687 62.300 -0.354 0.000 0.847 35 V CB 0.765 32.309 31.823 -0.464 0.000 0.990 35 V HN 1.080 nan 8.190 nan 0.000 0.444 36 G N 4.152 112.777 108.800 -0.291 0.000 3.055 36 G HA2 0.279 4.239 3.960 0.000 0.000 0.686 36 G HA3 0.279 4.239 3.960 0.000 0.000 0.686 36 G C -0.086 174.666 174.900 -0.246 0.000 1.087 36 G CA -0.214 44.720 45.100 -0.277 0.000 0.779 36 G HN 1.567 nan 8.290 nan 0.000 0.599 37 A N 1.719 124.385 122.820 -0.258 0.000 2.713 37 A HA 0.773 5.093 4.320 0.000 0.000 0.296 37 A C 1.453 178.828 177.584 -0.349 0.000 1.255 37 A CA 1.176 53.054 52.037 -0.264 0.000 0.955 37 A CB -0.219 18.622 19.000 -0.265 0.000 1.149 37 A HN 2.174 nan 8.150 nan 0.000 0.538 38 G N -1.177 107.455 108.800 -0.279 0.000 2.516 38 G HA2 0.372 4.332 3.960 0.000 0.000 0.276 38 G HA3 0.372 4.332 3.960 0.000 0.000 0.276 38 G C 0.646 175.509 174.900 -0.063 0.000 1.390 38 G CA -0.428 44.504 45.100 -0.281 0.000 1.050 38 G HN 0.179 nan 8.290 nan 0.000 0.519 39 F N 0.787 120.846 119.950 0.183 0.000 2.043 39 F HA -0.184 4.344 4.527 0.000 0.000 0.297 39 F C 3.146 179.014 175.800 0.113 0.000 1.121 39 F CA 2.241 60.413 58.000 0.286 0.000 1.199 39 F CB -0.475 38.666 39.000 0.235 0.000 0.968 39 F HN 0.360 nan 8.300 nan 0.000 0.478 40 A N 0.257 123.224 122.820 0.244 0.000 1.869 40 A HA -0.206 4.114 4.320 0.000 0.000 0.218 40 A C 2.503 180.098 177.584 0.019 0.000 1.203 40 A CA 2.301 54.404 52.037 0.109 0.000 0.638 40 A CB -1.691 17.347 19.000 0.064 0.000 0.831 40 A HN 0.455 nan 8.150 nan 0.000 0.450 41 G N -1.686 107.089 108.800 -0.042 0.000 2.394 41 G HA2 -0.021 3.939 3.960 0.000 0.000 0.215 41 G HA3 -0.021 3.939 3.960 0.000 0.000 0.215 41 G C 1.823 176.666 174.900 -0.095 0.000 1.165 41 G CA 1.181 46.215 45.100 -0.110 0.000 0.784 41 G HN 0.483 nan 8.290 nan 0.000 0.535 42 S N -0.013 115.658 115.700 -0.050 0.000 2.368 42 S HA -0.112 4.358 4.470 0.000 0.000 0.225 42 S C 2.546 177.114 174.600 -0.052 0.000 1.030 42 S CA 1.165 59.343 58.200 -0.037 0.000 0.999 42 S CB -0.248 63.005 63.200 0.087 0.000 0.844 42 S HN 0.172 nan 8.310 nan 0.000 0.459 43 V N 1.928 121.851 119.914 0.015 0.000 2.261 43 V HA -0.181 3.939 4.120 0.000 0.000 0.246 43 V C 2.215 178.253 176.094 -0.093 0.000 1.047 43 V CA 1.624 63.936 62.300 0.020 0.000 1.015 43 V CB -0.677 31.207 31.823 0.102 0.000 0.642 43 V HN 0.383 nan 8.190 nan 0.000 0.446 44 L N -0.026 121.130 121.223 -0.113 0.000 2.012 44 L HA -0.209 4.131 4.340 0.000 0.000 0.210 44 L C 2.729 179.466 176.870 -0.222 0.000 1.073 44 L CA 1.755 56.485 54.840 -0.183 0.000 0.748 44 L CB -0.797 41.161 42.059 -0.168 0.000 0.891 44 L HN 0.360 nan 8.230 nan 0.000 0.431 45 A N -0.557 122.156 122.820 -0.178 0.000 1.903 45 A HA -0.309 4.011 4.320 0.000 0.000 0.219 45 A C 2.332 179.826 177.584 -0.151 0.000 1.191 45 A CA 2.196 54.139 52.037 -0.157 0.000 0.638 45 A CB -0.639 18.279 19.000 -0.136 0.000 0.823 45 A HN 0.480 nan 8.150 nan 0.000 0.451 46 E N -0.314 119.789 120.200 -0.163 0.000 2.077 46 E HA -0.199 4.151 4.350 0.000 0.000 0.193 46 E C 2.208 178.713 176.600 -0.158 0.000 0.989 46 E CA 0.976 57.288 56.400 -0.147 0.000 0.800 46 E CB -0.205 29.383 29.700 -0.187 0.000 0.746 46 E HN 0.480 nan 8.360 nan 0.000 0.452 47 R N 0.007 120.318 120.500 -0.315 0.000 2.073 47 R HA -0.062 4.278 4.340 0.000 0.000 0.229 47 R C 2.437 178.429 176.300 -0.515 0.000 1.120 47 R CA 0.477 56.170 56.100 -0.680 0.000 0.967 47 R CB -0.699 28.748 30.300 -1.422 0.000 0.862 47 R HN 0.207 nan 8.270 nan 0.000 0.436 48 L N 0.675 121.719 121.223 -0.298 0.000 2.056 48 L HA -0.010 4.330 4.340 0.000 0.000 0.207 48 L C 2.460 179.347 176.870 0.027 0.000 1.078 48 L CA 1.759 56.570 54.840 -0.049 0.000 0.749 48 L CB -1.379 40.583 42.059 -0.162 0.000 0.901 48 L HN 0.118 nan 8.230 nan 0.000 0.433 49 A N -0.742 122.068 122.820 -0.017 0.000 1.972 49 A HA -0.178 4.142 4.320 0.000 0.000 0.219 49 A C 2.448 180.055 177.584 0.039 0.000 1.169 49 A CA 1.731 53.785 52.037 0.028 0.000 0.635 49 A CB -0.697 18.305 19.000 0.004 0.000 0.810 49 A HN 0.539 nan 8.150 nan 0.000 0.446 50 S N -0.149 115.559 115.700 0.014 0.000 2.489 50 S HA -0.025 4.445 4.470 0.000 0.000 0.228 50 S C 1.327 175.974 174.600 0.077 0.000 0.995 50 S CA 1.071 59.294 58.200 0.038 0.000 0.934 50 S CB -0.470 62.743 63.200 0.022 0.000 0.771 50 S HN 0.902 nan 8.310 nan 0.000 0.522 51 S N -0.660 115.106 115.700 0.110 0.000 2.562 51 S HA 0.635 5.105 4.470 0.000 0.000 0.246 51 S C 1.235 175.919 174.600 0.138 0.000 1.056 51 S CA 0.114 58.404 58.200 0.151 0.000 1.042 51 S CB -0.175 63.170 63.200 0.242 0.000 0.822 51 S HN 1.233 nan 8.310 nan 0.000 0.465 52 G N 0.944 109.811 108.800 0.113 0.000 2.336 52 G HA2 -0.262 3.698 3.960 0.000 0.000 0.233 52 G HA3 -0.262 3.698 3.960 0.000 0.000 0.233 52 G C 0.044 175.021 174.900 0.128 0.000 1.053 52 G CA -0.135 45.030 45.100 0.107 0.000 0.625 52 G HN 0.579 nan 8.290 nan 0.000 0.511 53 Q N 1.407 121.310 119.800 0.171 0.000 2.304 53 Q HA 0.258 4.598 4.340 0.000 0.000 0.301 53 Q C 0.703 176.824 176.000 0.201 0.000 1.063 53 Q CA 0.570 56.508 55.803 0.224 0.000 0.947 53 Q CB 0.334 29.284 28.738 0.352 0.000 1.201 53 Q HN 0.635 nan 8.270 nan 0.000 0.389 54 R N 0.874 121.506 120.500 0.220 0.000 2.340 54 R HA 0.444 4.784 4.340 0.000 0.000 0.300 54 R C -0.454 176.061 176.300 0.357 0.000 1.069 54 R CA -0.317 55.943 56.100 0.267 0.000 0.984 54 R CB 0.816 31.264 30.300 0.247 0.000 1.003 54 R HN 0.272 nan 8.270 nan 0.000 0.459 55 V N 4.528 124.601 119.914 0.266 0.000 2.656 55 V HA 0.347 4.467 4.120 0.000 0.000 0.307 55 V C -1.013 174.977 176.094 -0.172 0.000 1.051 55 V CA -0.950 61.411 62.300 0.102 0.000 0.893 55 V CB 1.955 33.795 31.823 0.029 0.000 0.999 55 V HN 0.490 nan 8.190 nan 0.000 0.426 56 L N 5.754 126.690 121.223 -0.477 0.000 2.316 56 L HA 0.655 4.995 4.340 0.000 0.000 0.280 56 L C -0.679 175.953 176.870 -0.396 0.000 1.006 56 L CA 0.078 54.489 54.840 -0.716 0.000 0.836 56 L CB 1.058 42.285 42.059 -1.387 0.000 1.221 56 L HN 0.693 nan 8.230 nan 0.000 0.418 57 I N 5.513 125.912 120.570 -0.284 0.000 2.392 57 I HA 0.663 4.833 4.170 0.000 0.000 0.295 57 I C -1.244 174.743 176.117 -0.216 0.000 0.985 57 I CA -0.624 60.537 61.300 -0.231 0.000 1.221 57 I CB 1.709 39.597 38.000 -0.187 0.000 1.366 57 I HN 0.538 nan 8.210 nan 0.000 0.467 58 V N 7.168 126.959 119.914 -0.207 0.000 2.888 58 V HA 0.588 4.708 4.120 0.000 0.000 0.309 58 V C -1.791 174.200 176.094 -0.172 0.000 1.114 58 V CA -0.327 61.870 62.300 -0.172 0.000 0.940 58 V CB 2.088 33.824 31.823 -0.145 0.000 1.021 58 V HN 0.843 nan 8.190 nan 0.000 0.426 59 D N 4.304 124.602 120.400 -0.170 0.000 2.732 59 D HA 0.389 5.029 4.640 0.000 0.000 0.229 59 D C 0.619 176.817 176.300 -0.170 0.000 1.152 59 D CA -0.551 53.333 54.000 -0.193 0.000 0.854 59 D CB 2.496 43.141 40.800 -0.258 0.000 1.590 59 D HN 0.751 nan 8.370 nan 0.000 0.468 60 R N 2.522 122.931 120.500 -0.152 0.000 2.275 60 R HA 0.104 4.444 4.340 0.000 0.000 0.199 60 R C 0.218 176.416 176.300 -0.171 0.000 0.989 60 R CA 0.017 56.041 56.100 -0.126 0.000 1.016 60 R CB 0.129 30.381 30.300 -0.080 0.000 0.918 60 R HN 0.270 nan 8.270 nan 0.000 0.473 61 R N 1.900 122.241 120.500 -0.266 0.000 2.679 61 R HA 0.140 4.480 4.340 0.000 0.000 0.269 61 R C -1.869 174.184 176.300 -0.412 0.000 1.076 61 R CA -1.520 54.343 56.100 -0.396 0.000 1.160 61 R CB 0.224 30.104 30.300 -0.700 0.000 1.054 61 R HN 0.064 nan 8.270 nan 0.000 0.507 62 P HA 0.099 nan 4.420 nan 0.000 0.249 62 P C -1.389 175.762 177.300 -0.249 0.000 1.583 62 P CA 0.130 63.081 63.100 -0.248 0.000 0.988 62 P CB 0.001 31.624 31.700 -0.127 0.000 1.530 63 H N -1.438 117.455 119.070 -0.295 0.000 3.042 63 H HA 0.492 5.048 4.556 0.000 0.000 0.346 63 H C -0.023 175.079 175.328 -0.378 0.000 1.294 63 H CA -1.343 54.465 56.048 -0.400 0.000 1.141 63 H CB 0.043 29.285 29.762 -0.868 0.000 1.872 63 H HN -0.135 nan 8.280 nan 0.000 0.541 64 I N -1.124 119.386 120.570 -0.100 0.000 3.276 64 I HA 0.625 4.795 4.170 0.000 0.000 0.306 64 I C 1.153 177.118 176.117 -0.254 0.000 1.060 64 I CA -0.075 61.113 61.300 -0.187 0.000 1.133 64 I CB 0.543 38.451 38.000 -0.154 0.000 1.473 64 I HN 1.166 nan 8.210 nan 0.000 0.649 65 G N 0.603 108.978 108.800 -0.708 0.000 2.175 65 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 65 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 65 G C 0.897 175.219 174.900 -0.963 0.000 0.982 65 G CA 0.259 44.464 45.100 -1.492 0.000 0.641 65 G HN 2.164 nan 8.290 nan 0.000 0.527 66 G N 0.529 109.023 108.800 -0.509 0.000 2.596 66 G HA2 -0.335 3.625 3.960 0.000 0.000 0.295 66 G HA3 -0.335 3.625 3.960 0.000 0.000 0.295 66 G C 0.779 175.458 174.900 -0.369 0.000 1.240 66 G CA 0.944 45.825 45.100 -0.365 0.000 0.985 66 G HN 1.138 nan 8.290 nan 0.000 0.555 67 N N 1.072 119.563 118.700 -0.348 0.000 2.459 67 N HA 0.217 4.958 4.740 0.000 0.000 0.181 67 N C 2.146 177.328 175.510 -0.547 0.000 1.046 67 N CA 1.667 54.484 53.050 -0.388 0.000 0.904 67 N CB -0.314 38.132 38.487 -0.069 0.000 0.964 67 N HN 0.956 nan 8.380 nan 0.000 0.444 68 A N -0.602 121.878 122.820 -0.567 0.000 2.251 68 A HA 0.017 4.337 4.320 0.000 0.000 0.209 68 A C 0.318 177.596 177.584 -0.511 0.000 1.187 68 A CA -0.406 51.140 52.037 -0.818 0.000 0.823 68 A CB -0.641 18.105 19.000 -0.422 0.000 0.846 68 A HN 0.332 nan 8.150 nan 0.000 0.486 69 Y N 2.516 122.541 120.300 -0.458 0.000 2.712 69 Y HA 0.275 4.825 4.550 0.000 0.000 0.333 69 Y C -0.200 175.531 175.900 -0.282 0.000 1.225 69 Y CA -0.137 57.748 58.100 -0.359 0.000 1.499 69 Y CB 0.328 38.491 38.460 -0.494 0.000 1.288 69 Y HN 0.512 nan 8.280 nan 0.000 0.575 70 D N 4.270 124.117 120.400 -0.922 0.000 2.547 70 D HA 0.581 5.222 4.640 0.000 0.000 0.231 70 D C -1.072 174.609 176.300 -1.031 0.000 1.099 70 D CA -0.588 52.936 54.000 -0.794 0.000 0.901 70 D CB 1.051 41.671 40.800 -0.299 0.000 1.478 70 D HN 0.746 nan 8.370 nan 0.000 0.471 71 C N -1.887 116.989 119.300 -0.706 0.000 3.320 71 C HA 0.705 5.165 4.460 0.000 0.000 0.335 71 C C -1.452 173.295 174.990 -0.406 0.000 1.430 71 C CA -1.119 57.613 59.018 -0.477 0.000 1.271 71 C CB 0.098 27.624 27.740 -0.356 0.000 1.609 71 C HN 0.614 nan 8.230 nan 0.000 0.457 72 Y N 2.250 122.437 120.300 -0.189 0.000 2.367 72 Y HA 0.431 4.981 4.550 0.000 0.000 0.342 72 Y C 0.937 176.757 175.900 -0.134 0.000 0.979 72 Y CA 0.590 58.604 58.100 -0.143 0.000 1.161 72 Y CB 0.700 39.111 38.460 -0.082 0.000 1.155 72 Y HN 0.857 nan 8.280 nan 0.000 0.503 73 D N 0.283 120.645 120.400 -0.063 0.000 2.384 73 D HA -0.051 4.589 4.640 0.000 0.000 0.244 73 D C 0.461 176.762 176.300 0.001 0.000 1.251 73 D CA -0.225 53.732 54.000 -0.072 0.000 0.961 73 D CB 0.642 41.363 40.800 -0.133 0.000 1.116 73 D HN 0.419 nan 8.370 nan 0.000 0.484 74 D N -0.568 119.825 120.400 -0.012 0.000 2.315 74 D HA -0.107 4.533 4.640 0.000 0.000 0.211 74 D C 1.439 177.760 176.300 0.035 0.000 0.977 74 D CA 1.660 55.667 54.000 0.011 0.000 0.894 74 D CB -0.276 40.525 40.800 0.002 0.000 0.910 74 D HN 0.532 nan 8.370 nan 0.000 0.490 75 A N -1.149 121.689 122.820 0.030 0.000 2.252 75 A HA 0.515 4.835 4.320 0.000 0.000 0.213 75 A C 1.780 179.472 177.584 0.181 0.000 1.188 75 A CA 0.818 52.890 52.037 0.058 0.000 0.863 75 A CB 0.298 19.278 19.000 -0.033 0.000 0.893 75 A HN 0.211 nan 8.150 nan 0.000 0.495 76 G N -1.480 107.430 108.800 0.183 0.000 2.159 76 G HA2 -0.152 3.808 3.960 0.000 0.000 0.227 76 G HA3 -0.152 3.808 3.960 0.000 0.000 0.227 76 G C 0.030 175.162 174.900 0.386 0.000 0.986 76 G CA 0.023 45.319 45.100 0.326 0.000 0.651 76 G HN 0.774 nan 8.290 nan 0.000 0.523 77 V N 1.495 121.442 119.914 0.055 0.000 2.439 77 V HA 0.624 4.744 4.120 0.000 0.000 0.282 77 V C 0.663 176.603 176.094 -0.255 0.000 1.039 77 V CA -0.847 61.368 62.300 -0.142 0.000 0.913 77 V CB 1.661 33.277 31.823 -0.345 0.000 0.983 77 V HN 0.405 nan 8.190 nan 0.000 0.460 78 L N 7.820 128.781 121.223 -0.438 0.000 2.369 78 L HA 0.426 4.766 4.340 0.000 0.000 0.279 78 L C -0.188 176.326 176.870 -0.595 0.000 1.108 78 L CA 0.667 55.032 54.840 -0.792 0.000 0.852 78 L CB 0.019 41.632 42.059 -0.744 0.000 1.169 78 L HN 0.654 nan 8.230 nan 0.000 0.452 79 I N 2.457 122.594 120.570 -0.722 0.000 3.239 79 I HA 0.470 4.640 4.170 0.000 0.000 0.314 79 I C -1.292 174.282 176.117 -0.906 0.000 1.126 79 I CA -0.707 59.848 61.300 -1.241 0.000 0.973 79 I CB 2.204 39.544 38.000 -1.100 0.000 1.252 79 I HN 0.706 nan 8.210 nan 0.000 0.463 80 H N 2.636 120.910 119.070 -1.327 0.000 2.551 80 H HA 0.373 4.929 4.556 0.000 0.000 0.321 80 H C -2.131 172.986 175.328 -0.351 0.000 1.028 80 H CA -1.863 53.868 56.048 -0.528 0.000 1.215 80 H CB 1.662 31.377 29.762 -0.079 0.000 1.414 80 H HN 0.388 nan 8.280 nan 0.000 0.480 81 P HA -0.148 nan 4.420 nan 0.000 0.219 81 P C -0.283 176.625 177.300 -0.654 0.000 1.150 81 P CA 1.231 64.038 63.100 -0.487 0.000 0.814 81 P CB 0.191 31.509 31.700 -0.636 0.000 0.787 82 Y N -0.504 119.572 120.300 -0.373 0.000 2.839 82 Y HA 0.570 5.120 4.550 0.000 0.000 0.361 82 Y C 1.263 176.738 175.900 -0.708 0.000 1.008 82 Y CA -0.463 57.174 58.100 -0.772 0.000 1.534 82 Y CB -0.297 38.049 38.460 -0.190 0.000 1.395 82 Y HN -0.090 nan 8.280 nan 0.000 0.534 83 G N 1.543 109.956 108.800 -0.644 0.000 2.733 83 G HA2 -0.169 3.792 3.960 0.000 0.000 0.686 83 G HA3 -0.169 3.792 3.960 0.000 0.000 0.686 83 G C -3.043 172.125 174.900 0.446 0.000 1.373 83 G CA -1.485 43.655 45.100 0.066 0.000 0.838 83 G HN 0.120 nan 8.290 nan 0.000 0.588 84 P HA 0.282 nan 4.420 nan 0.000 0.271 84 P C -0.667 176.937 177.300 0.507 0.000 1.216 84 P CA 0.303 63.778 63.100 0.625 0.000 0.771 84 P CB 0.558 32.383 31.700 0.208 0.000 0.864 85 H N 2.264 121.702 119.070 0.614 0.000 2.762 85 H HA 0.445 5.002 4.556 0.000 0.000 0.310 85 H C -0.312 175.310 175.328 0.489 0.000 1.004 85 H CA -0.397 55.840 56.048 0.314 0.000 1.267 85 H CB 0.257 29.972 29.762 -0.077 0.000 1.437 85 H HN 0.211 nan 8.280 nan 0.000 0.498 86 I N 3.716 124.563 120.570 0.462 0.000 2.307 86 I HA 0.107 4.277 4.170 0.000 0.000 0.289 86 I C -0.243 176.169 176.117 0.492 0.000 1.021 86 I CA -0.439 61.159 61.300 0.498 0.000 1.224 86 I CB 0.179 38.409 38.000 0.383 0.000 1.376 86 I HN 0.414 nan 8.210 nan 0.000 0.470 87 F N 7.629 127.853 119.950 0.457 0.000 2.456 87 F HA 0.431 4.958 4.527 0.000 0.000 0.358 87 F C 0.263 176.189 175.800 0.210 0.000 1.095 87 F CA 0.231 58.426 58.000 0.325 0.000 1.216 87 F CB 0.091 39.375 39.000 0.473 0.000 1.125 87 F HN 0.671 nan 8.300 nan 0.000 0.549 88 H N 1.486 120.008 119.070 -0.913 0.000 3.085 88 H HA 0.598 5.154 4.556 0.000 0.000 0.356 88 H C -1.268 173.566 175.328 -0.822 0.000 1.178 88 H CA -0.978 54.661 56.048 -0.682 0.000 1.214 88 H CB 1.709 31.044 29.762 -0.712 0.000 1.881 88 H HN 0.580 nan 8.280 nan 0.000 0.538 89 T N 0.941 115.249 114.554 -0.411 0.000 2.853 89 T HA 0.282 4.632 4.350 0.000 0.000 0.311 89 T C -0.535 174.182 174.700 0.028 0.000 1.307 89 T CA -0.766 61.178 62.100 -0.260 0.000 1.019 89 T CB 1.458 70.213 68.868 -0.189 0.000 1.264 89 T HN 0.750 nan 8.240 nan 0.000 0.497 90 N N 0.941 119.665 118.700 0.040 0.000 2.254 90 N HA 0.127 4.867 4.740 0.000 0.000 0.190 90 N C 0.136 175.755 175.510 0.182 0.000 1.107 90 N CA 0.060 53.173 53.050 0.106 0.000 0.869 90 N CB 0.833 39.339 38.487 0.031 0.000 0.983 90 N HN 0.466 nan 8.380 nan 0.000 0.487 91 S N 1.227 116.992 115.700 0.108 0.000 2.400 91 S HA 0.119 4.589 4.470 0.000 0.000 0.295 91 S C 1.277 175.865 174.600 -0.020 0.000 1.113 91 S CA -0.452 57.785 58.200 0.061 0.000 1.064 91 S CB 0.809 64.022 63.200 0.021 0.000 0.990 91 S HN 0.157 nan 8.310 nan 0.000 0.502 92 K N 3.919 124.310 120.400 -0.014 0.000 2.152 92 K HA -0.142 4.178 4.320 0.000 0.000 0.206 92 K C 0.897 177.440 176.600 -0.095 0.000 1.048 92 K CA 1.817 57.980 56.287 -0.206 0.000 0.933 92 K CB -0.056 32.460 32.500 0.027 0.000 0.721 92 K HN 0.684 nan 8.250 nan 0.000 0.447 93 D N 0.166 120.562 120.400 -0.007 0.000 2.097 93 D HA -0.130 4.510 4.640 0.000 0.000 0.197 93 D C 2.007 178.353 176.300 0.078 0.000 0.984 93 D CA 1.210 55.230 54.000 0.033 0.000 0.826 93 D CB 0.026 40.844 40.800 0.029 0.000 0.973 93 D HN 0.073 nan 8.370 nan 0.000 0.460 94 V N 1.301 121.265 119.914 0.084 0.000 2.261 94 V HA -0.245 3.875 4.120 0.000 0.000 0.246 94 V C 2.221 178.449 176.094 0.223 0.000 1.047 94 V CA 1.444 63.850 62.300 0.177 0.000 1.015 94 V CB -0.625 31.301 31.823 0.171 0.000 0.642 94 V HN 0.103 nan 8.190 nan 0.000 0.446 95 F N 0.889 120.811 119.950 -0.046 0.000 2.126 95 F HA -0.209 4.318 4.527 0.000 0.000 0.299 95 F C 2.460 178.212 175.800 -0.080 0.000 1.096 95 F CA 2.186 60.089 58.000 -0.163 0.000 1.255 95 F CB -0.107 38.523 39.000 -0.617 0.000 0.997 95 F HN 0.174 nan 8.300 nan 0.000 0.479 96 E N -1.327 118.852 120.200 -0.035 0.000 2.204 96 E HA -0.255 4.095 4.350 0.000 0.000 0.194 96 E C 1.802 178.385 176.600 -0.028 0.000 0.989 96 E CA 1.212 57.583 56.400 -0.048 0.000 0.824 96 E CB -0.311 29.400 29.700 0.018 0.000 0.756 96 E HN 0.670 nan 8.360 nan 0.000 0.477 97 Y N 0.411 120.678 120.300 -0.055 0.000 2.206 97 Y HA -0.128 4.423 4.550 0.000 0.000 0.292 97 Y C 1.815 177.726 175.900 0.017 0.000 1.123 97 Y CA 0.740 58.831 58.100 -0.014 0.000 1.142 97 Y CB -0.133 38.365 38.460 0.064 0.000 1.006 97 Y HN -0.032 nan 8.280 nan 0.000 0.518 98 L N 0.189 121.383 121.223 -0.049 0.000 2.191 98 L HA -0.160 4.180 4.340 0.000 0.000 0.212 98 L C 2.374 179.134 176.870 -0.182 0.000 1.103 98 L CA 1.619 56.411 54.840 -0.080 0.000 0.769 98 L CB -1.413 40.687 42.059 0.068 0.000 0.908 98 L HN 0.232 nan 8.230 nan 0.000 0.438 99 S N -0.989 114.598 115.700 -0.189 0.000 2.507 99 S HA -0.087 4.383 4.470 0.000 0.000 0.235 99 S C 1.879 176.250 174.600 -0.382 0.000 0.988 99 S CA 0.506 58.594 58.200 -0.186 0.000 0.944 99 S CB -0.160 62.961 63.200 -0.131 0.000 0.762 99 S HN 0.445 nan 8.310 nan 0.000 0.526 100 R N -0.318 119.786 120.500 -0.660 0.000 2.235 100 R HA 0.059 4.399 4.340 0.000 0.000 0.213 100 R C 0.572 176.225 176.300 -1.078 0.000 1.059 100 R CA 0.914 56.419 56.100 -0.992 0.000 0.997 100 R CB -0.121 29.306 30.300 -1.455 0.000 0.884 100 R HN 0.478 nan 8.270 nan 0.000 0.462 101 F N -1.518 118.213 119.950 -0.363 0.000 2.746 101 F HA 0.266 4.793 4.527 0.000 0.000 0.320 101 F C 0.476 176.040 175.800 -0.392 0.000 1.097 101 F CA -0.340 57.447 58.000 -0.356 0.000 1.195 101 F CB 1.228 39.986 39.000 -0.404 0.000 1.056 101 F HN -0.253 nan 8.300 nan 0.000 0.562 102 T N -0.076 114.252 114.554 -0.376 0.000 2.886 102 T HA 0.307 4.657 4.350 0.000 0.000 0.330 102 T C -1.180 173.097 174.700 -0.706 0.000 1.488 102 T CA -0.509 61.269 62.100 -0.537 0.000 1.054 102 T CB 1.597 70.007 68.868 -0.763 0.000 1.348 102 T HN 0.046 nan 8.240 nan 0.000 0.489 103 E N 1.089 120.948 120.200 -0.568 0.000 2.292 103 E HA 0.542 4.892 4.350 0.000 0.000 0.258 103 E C -1.084 175.126 176.600 -0.650 0.000 1.115 103 E CA -0.645 55.471 56.400 -0.474 0.000 0.929 103 E CB 1.113 30.697 29.700 -0.193 0.000 1.161 103 E HN 0.492 nan 8.360 nan 0.000 0.453 104 W N 0.718 121.979 121.300 -0.064 0.000 2.632 104 W HA 0.387 5.047 4.660 0.000 0.000 0.328 104 W C -0.132 176.398 176.519 0.019 0.000 1.044 104 W CA -0.769 56.577 57.345 0.000 0.000 1.225 104 W CB 1.087 30.636 29.460 0.149 0.000 1.396 104 W HN 0.144 nan 8.180 nan 0.000 0.499 105 R N 3.918 124.568 120.500 0.250 0.000 2.207 105 R HA 0.360 4.700 4.340 0.000 0.000 0.334 105 R C -2.428 174.055 176.300 0.305 0.000 1.013 105 R CA -1.659 54.559 56.100 0.196 0.000 0.858 105 R CB 0.747 31.103 30.300 0.092 0.000 1.094 105 R HN 0.105 nan 8.270 nan 0.000 0.457 106 P HA 0.001 nan 4.420 nan 0.000 0.268 106 P C -1.664 175.840 177.300 0.341 0.000 1.205 106 P CA 0.285 63.544 63.100 0.265 0.000 0.771 106 P CB 0.269 32.074 31.700 0.176 0.000 0.858 107 Y N 0.906 121.310 120.300 0.173 0.000 2.337 107 Y HA 0.236 4.786 4.550 0.000 0.000 0.318 107 Y C -1.705 174.317 175.900 0.202 0.000 1.258 107 Y CA -0.527 57.684 58.100 0.184 0.000 1.132 107 Y CB 1.301 39.892 38.460 0.218 0.000 1.307 107 Y HN 0.314 nan 8.280 nan 0.000 0.428 108 Q N 5.075 124.627 119.800 -0.412 0.000 2.368 108 Q HA 0.251 4.591 4.340 0.000 0.000 0.263 108 Q C -1.156 174.435 176.000 -0.682 0.000 1.009 108 Q CA -1.020 54.556 55.803 -0.378 0.000 0.818 108 Q CB 1.306 29.954 28.738 -0.150 0.000 1.239 108 Q HN 0.651 nan 8.270 nan 0.000 0.464 109 H N 2.571 121.245 119.070 -0.660 0.000 2.897 109 H HA 0.167 4.723 4.556 0.000 0.000 0.347 109 H C -0.714 174.478 175.328 -0.228 0.000 1.068 109 H CA 0.631 56.432 56.048 -0.412 0.000 1.426 109 H CB 0.512 30.328 29.762 0.091 0.000 1.410 109 H HN 0.431 nan 8.280 nan 0.000 0.597 110 R N 3.597 123.760 120.500 -0.560 0.000 2.502 110 R HA 0.402 4.742 4.340 0.000 0.000 0.300 110 R C -1.399 174.539 176.300 -0.605 0.000 0.984 110 R CA -0.984 54.839 56.100 -0.461 0.000 0.882 110 R CB 1.927 32.073 30.300 -0.255 0.000 1.180 110 R HN 0.320 nan 8.270 nan 0.000 0.444 111 V N 4.912 124.526 119.914 -0.499 0.000 2.398 111 V HA 0.369 4.489 4.120 0.000 0.000 0.286 111 V C -0.394 175.531 176.094 -0.280 0.000 1.026 111 V CA -0.874 61.151 62.300 -0.458 0.000 0.868 111 V CB 1.558 33.034 31.823 -0.578 0.000 0.982 111 V HN 0.460 nan 8.190 nan 0.000 0.443 112 L N 3.942 125.008 121.223 -0.261 0.000 2.325 112 L HA 0.778 5.118 4.340 0.000 0.000 0.278 112 L C 0.391 177.142 176.870 -0.198 0.000 1.023 112 L CA -0.384 54.340 54.840 -0.193 0.000 0.811 112 L CB 1.480 43.431 42.059 -0.180 0.000 1.249 112 L HN 0.782 nan 8.230 nan 0.000 0.431 113 A N 1.794 124.542 122.820 -0.121 0.000 2.304 113 A HA 0.520 4.840 4.320 0.000 0.000 0.323 113 A C 0.078 177.584 177.584 -0.131 0.000 1.195 113 A CA -0.397 51.570 52.037 -0.116 0.000 0.826 113 A CB 0.868 19.890 19.000 0.038 0.000 1.184 113 A HN 0.636 nan 8.150 nan 0.000 0.496 114 S N 2.318 117.884 115.700 -0.223 0.000 2.416 114 S HA 0.462 4.933 4.470 0.000 0.000 0.302 114 S C -0.554 173.989 174.600 -0.094 0.000 1.120 114 S CA -0.237 57.883 58.200 -0.134 0.000 1.067 114 S CB -0.763 62.376 63.200 -0.102 0.000 1.057 114 S HN 0.657 nan 8.310 nan 0.000 0.518 115 V N 4.937 124.768 119.914 -0.137 0.000 2.638 115 V HA 0.373 4.493 4.120 0.000 0.000 0.306 115 V C -0.431 175.573 176.094 -0.150 0.000 1.052 115 V CA -0.833 61.329 62.300 -0.229 0.000 0.885 115 V CB 1.796 33.296 31.823 -0.539 0.000 0.999 115 V HN 0.850 nan 8.190 nan 0.000 0.424 116 D N 3.756 124.082 120.400 -0.124 0.000 2.708 116 D HA -0.175 4.465 4.640 0.000 0.000 0.236 116 D C 1.335 177.608 176.300 -0.046 0.000 1.146 116 D CA 1.968 55.921 54.000 -0.079 0.000 0.662 116 D CB -1.114 39.635 40.800 -0.086 0.000 1.059 116 D HN 1.503 nan 8.370 nan 0.000 0.428 117 G N -0.939 107.845 108.800 -0.026 0.000 2.175 117 G HA2 -0.373 3.587 3.960 0.000 0.000 0.265 117 G HA3 -0.373 3.587 3.960 0.000 0.000 0.265 117 G C 0.273 175.172 174.900 -0.002 0.000 0.979 117 G CA 0.959 46.060 45.100 0.001 0.000 0.663 117 G HN 0.552 nan 8.290 nan 0.000 0.533 118 Q N -1.185 118.602 119.800 -0.023 0.000 2.359 118 Q HA 0.757 5.097 4.340 0.000 0.000 0.275 118 Q C -0.067 175.912 176.000 -0.035 0.000 1.082 118 Q CA -0.962 54.826 55.803 -0.024 0.000 0.849 118 Q CB 1.749 30.470 28.738 -0.029 0.000 1.377 118 Q HN 0.240 nan 8.270 nan 0.000 0.452 119 L N 2.425 123.625 121.223 -0.039 0.000 2.283 119 L HA 0.358 4.698 4.340 0.000 0.000 0.281 119 L C -1.166 175.676 176.870 -0.047 0.000 1.033 119 L CA -0.580 54.223 54.840 -0.062 0.000 0.848 119 L CB 0.360 42.373 42.059 -0.077 0.000 1.226 119 L HN 0.253 nan 8.230 nan 0.000 0.429 120 L N 5.441 126.654 121.223 -0.017 0.000 2.334 120 L HA 0.657 4.997 4.340 0.000 0.000 0.272 120 L C -2.194 174.660 176.870 -0.028 0.000 1.020 120 L CA -2.491 52.355 54.840 0.009 0.000 0.812 120 L CB 1.417 43.547 42.059 0.120 0.000 1.264 120 L HN 0.206 nan 8.230 nan 0.000 0.439 121 P HA 0.311 nan 4.420 nan 0.000 0.275 121 P C -1.026 176.190 177.300 -0.141 0.000 1.227 121 P CA -0.101 62.936 63.100 -0.106 0.000 0.781 121 P CB 0.864 32.499 31.700 -0.109 0.000 0.906 122 I N 4.739 125.232 120.570 -0.128 0.000 2.498 122 I HA 0.470 4.641 4.170 0.000 0.000 0.290 122 I C -2.673 173.405 176.117 -0.065 0.000 1.032 122 I CA -3.516 57.697 61.300 -0.145 0.000 1.073 122 I CB 1.893 39.823 38.000 -0.117 0.000 1.251 122 I HN 0.183 nan 8.210 nan 0.000 0.426 123 P HA 0.173 nan 4.420 nan 0.000 0.266 123 P C -0.438 176.734 177.300 -0.212 0.000 1.195 123 P CA 0.129 63.113 63.100 -0.195 0.000 0.768 123 P CB 0.254 31.828 31.700 -0.210 0.000 0.838 124 I N 3.014 123.420 120.570 -0.273 0.000 2.906 124 I HA -0.115 4.055 4.170 0.000 0.000 0.301 124 I C 1.187 177.238 176.117 -0.109 0.000 1.221 124 I CA 0.930 62.054 61.300 -0.294 0.000 1.435 124 I CB -0.349 37.471 38.000 -0.301 0.000 1.345 124 I HN 0.540 nan 8.210 nan 0.000 0.558 125 N N 5.805 124.465 118.700 -0.068 0.000 3.229 125 N HA 0.263 5.003 4.740 0.000 0.000 0.315 125 N C 0.391 175.911 175.510 0.017 0.000 1.520 125 N CA -0.913 52.137 53.050 0.000 0.000 0.769 125 N CB 0.471 38.926 38.487 -0.054 0.000 1.766 125 N HN 0.402 nan 8.380 nan 0.000 0.618 126 L N -0.105 121.110 121.223 -0.014 0.000 2.043 126 L HA -0.192 4.148 4.340 0.000 0.000 0.212 126 L C 0.680 177.508 176.870 -0.070 0.000 1.075 126 L CA 2.224 57.028 54.840 -0.061 0.000 0.752 126 L CB -0.501 41.505 42.059 -0.088 0.000 0.891 126 L HN 0.551 nan 8.230 nan 0.000 0.432 127 D N -1.035 119.326 120.400 -0.065 0.000 2.117 127 D HA -0.142 4.498 4.640 0.000 0.000 0.198 127 D C 1.933 178.196 176.300 -0.063 0.000 0.982 127 D CA 1.794 55.755 54.000 -0.065 0.000 0.828 127 D CB -0.064 40.698 40.800 -0.063 0.000 0.967 127 D HN 0.395 nan 8.370 nan 0.000 0.464 128 T N 1.556 116.069 114.554 -0.070 0.000 2.607 128 T HA -0.153 4.197 4.350 0.000 0.000 0.267 128 T C 2.355 177.020 174.700 -0.057 0.000 1.049 128 T CA 1.330 63.384 62.100 -0.076 0.000 1.162 128 T CB -0.649 68.118 68.868 -0.167 0.000 0.863 128 T HN -0.039 nan 8.240 nan 0.000 0.424 129 V N 2.535 122.431 119.914 -0.030 0.000 2.219 129 V HA -0.248 3.872 4.120 0.000 0.000 0.248 129 V C 2.568 178.632 176.094 -0.050 0.000 1.053 129 V CA 1.913 64.208 62.300 -0.007 0.000 1.009 129 V CB -0.816 30.986 31.823 -0.035 0.000 0.636 129 V HN 0.419 nan 8.190 nan 0.000 0.445 130 N N 0.163 118.812 118.700 -0.084 0.000 2.037 130 N HA -0.214 4.526 4.740 0.000 0.000 0.196 130 N C 1.981 177.463 175.510 -0.046 0.000 1.034 130 N CA 1.898 54.903 53.050 -0.074 0.000 0.861 130 N CB -0.431 38.008 38.487 -0.080 0.000 1.039 130 N HN 0.468 nan 8.380 nan 0.000 0.427 131 R N -0.046 120.422 120.500 -0.052 0.000 2.092 131 R HA -0.054 4.286 4.340 0.000 0.000 0.231 131 R C 2.092 178.357 176.300 -0.059 0.000 1.119 131 R CA 0.648 56.721 56.100 -0.045 0.000 0.970 131 R CB -0.402 29.873 30.300 -0.041 0.000 0.864 131 R HN 0.149 nan 8.270 nan 0.000 0.440 132 L N -0.537 120.618 121.223 -0.114 0.000 2.056 132 L HA -0.141 4.199 4.340 0.000 0.000 0.207 132 L C 1.220 177.946 176.870 -0.240 0.000 1.078 132 L CA 1.841 56.546 54.840 -0.225 0.000 0.749 132 L CB -0.226 41.605 42.059 -0.381 0.000 0.901 132 L HN 0.107 nan 8.230 nan 0.000 0.433 133 Y N -0.253 120.052 120.300 0.008 0.000 2.449 133 Y HA 0.463 5.013 4.550 0.000 0.000 0.254 133 Y C 1.712 177.595 175.900 -0.028 0.000 1.140 133 Y CA -0.232 57.865 58.100 -0.005 0.000 1.272 133 Y CB -0.195 38.245 38.460 -0.033 0.000 1.114 133 Y HN 0.225 nan 8.280 nan 0.000 0.525 134 G N 0.951 109.801 108.800 0.083 0.000 2.182 134 G HA2 -0.262 3.698 3.960 0.000 0.000 0.248 134 G HA3 -0.262 3.698 3.960 0.000 0.000 0.248 134 G C -0.130 174.778 174.900 0.014 0.000 1.042 134 G CA 0.150 45.272 45.100 0.036 0.000 0.775 134 G HN 0.261 nan 8.290 nan 0.000 0.501 135 L N -0.791 120.429 121.223 -0.005 0.000 2.440 135 L HA 0.605 4.945 4.340 0.000 0.000 0.262 135 L C 0.860 177.689 176.870 -0.067 0.000 1.072 135 L CA -1.097 53.708 54.840 -0.058 0.000 0.798 135 L CB 0.916 42.892 42.059 -0.139 0.000 1.307 135 L HN 0.066 nan 8.230 nan 0.000 0.475 136 N N 1.191 119.843 118.700 -0.079 0.000 2.622 136 N HA 0.293 5.033 4.740 0.000 0.000 0.304 136 N C -1.082 174.385 175.510 -0.072 0.000 1.844 136 N CA -0.091 52.920 53.050 -0.064 0.000 0.886 136 N CB 0.737 39.200 38.487 -0.041 0.000 1.366 136 N HN 0.341 nan 8.380 nan 0.000 0.491 137 L N 0.969 122.125 121.223 -0.111 0.000 2.417 137 L HA 0.282 4.622 4.340 0.000 0.000 0.268 137 L C 1.622 178.444 176.870 -0.080 0.000 1.158 137 L CA -0.268 54.508 54.840 -0.107 0.000 0.819 137 L CB 0.412 42.359 42.059 -0.185 0.000 1.112 137 L HN 0.121 nan 8.230 nan 0.000 0.458 138 T N -1.608 112.925 114.554 -0.035 0.000 2.732 138 T HA 0.098 4.449 4.350 0.000 0.000 0.287 138 T C 1.179 175.810 174.700 -0.115 0.000 0.993 138 T CA -0.503 61.579 62.100 -0.030 0.000 0.966 138 T CB 1.071 70.005 68.868 0.109 0.000 1.047 138 T HN 0.538 nan 8.240 nan 0.000 0.527 139 S N -0.027 115.519 115.700 -0.256 0.000 2.419 139 S HA 0.001 4.471 4.470 0.000 0.000 0.233 139 S C 1.453 175.845 174.600 -0.347 0.000 1.016 139 S CA 0.999 58.982 58.200 -0.362 0.000 0.974 139 S CB -0.714 62.163 63.200 -0.538 0.000 0.786 139 S HN 0.633 nan 8.310 nan 0.000 0.492 140 F N 1.657 121.594 119.950 -0.021 0.000 2.128 140 F HA 0.002 4.529 4.527 0.000 0.000 0.295 140 F C 2.605 178.394 175.800 -0.017 0.000 1.100 140 F CA 0.704 58.697 58.000 -0.012 0.000 1.260 140 F CB -0.810 38.184 39.000 -0.011 0.000 1.009 140 F HN 0.153 nan 8.300 nan 0.000 0.476 141 Q N -0.312 119.571 119.800 0.138 0.000 2.224 141 Q HA -0.129 4.212 4.340 0.000 0.000 0.203 141 Q C 2.389 178.385 176.000 -0.007 0.000 0.970 141 Q CA 1.160 56.998 55.803 0.057 0.000 0.865 141 Q CB -0.392 28.361 28.738 0.025 0.000 0.922 141 Q HN 0.319 nan 8.270 nan 0.000 0.445 142 V N 0.695 120.556 119.914 -0.088 0.000 2.809 142 V HA -0.216 3.904 4.120 0.000 0.000 0.256 142 V C 1.968 177.928 176.094 -0.223 0.000 1.080 142 V CA 1.704 63.864 62.300 -0.233 0.000 1.102 142 V CB -0.030 31.601 31.823 -0.320 0.000 0.705 142 V HN 0.353 nan 8.190 nan 0.000 0.475 143 E N -0.164 120.020 120.200 -0.026 0.000 2.072 143 E HA -0.220 4.130 4.350 0.000 0.000 0.190 143 E C 2.072 178.736 176.600 0.107 0.000 0.982 143 E CA 1.389 57.850 56.400 0.103 0.000 0.803 143 E CB -0.069 29.699 29.700 0.114 0.000 0.755 143 E HN 0.715 nan 8.360 nan 0.000 0.453 144 E N -0.579 119.667 120.200 0.077 0.000 2.347 144 E HA -0.137 4.214 4.350 0.000 0.000 0.196 144 E C 1.488 178.130 176.600 0.069 0.000 1.008 144 E CA 0.393 56.836 56.400 0.070 0.000 0.852 144 E CB -0.028 29.711 29.700 0.065 0.000 0.783 144 E HN 0.298 nan 8.360 nan 0.000 0.505 145 F N 0.267 120.150 119.950 -0.111 0.000 2.149 145 F HA -0.104 4.423 4.527 0.000 0.000 0.294 145 F C 1.581 177.349 175.800 -0.053 0.000 1.095 145 F CA 0.972 58.886 58.000 -0.144 0.000 1.276 145 F CB -0.110 38.724 39.000 -0.276 0.000 1.023 145 F HN -0.117 nan 8.300 nan 0.000 0.480 146 F N 1.251 121.220 119.950 0.032 0.000 2.046 146 F HA -0.151 4.376 4.527 0.000 0.000 0.297 146 F C 2.765 178.487 175.800 -0.131 0.000 1.123 146 F CA 1.216 59.174 58.000 -0.071 0.000 1.199 146 F CB -1.755 37.269 39.000 0.039 0.000 0.972 146 F HN 0.079 nan 8.300 nan 0.000 0.474 147 A N -0.304 122.598 122.820 0.137 0.000 2.009 147 A HA -0.292 4.029 4.320 0.000 0.000 0.222 147 A C 2.322 179.888 177.584 -0.029 0.000 1.175 147 A CA 2.584 54.647 52.037 0.044 0.000 0.651 147 A CB -1.201 17.828 19.000 0.048 0.000 0.815 147 A HN 0.460 nan 8.150 nan 0.000 0.459 148 S N -1.150 114.492 115.700 -0.096 0.000 2.524 148 S HA 0.095 4.565 4.470 0.000 0.000 0.216 148 S C 1.351 175.845 174.600 -0.177 0.000 0.987 148 S CA 0.941 59.063 58.200 -0.129 0.000 0.909 148 S CB -0.182 62.934 63.200 -0.141 0.000 0.781 148 S HN 0.974 nan 8.310 nan 0.000 0.521 149 V N -1.871 117.907 119.914 -0.227 0.000 3.635 149 V HA 0.627 4.748 4.120 0.000 0.000 0.266 149 V C 1.130 177.170 176.094 -0.089 0.000 1.316 149 V CA -0.254 61.931 62.300 -0.192 0.000 1.060 149 V CB -0.977 30.666 31.823 -0.301 0.000 0.820 149 V HN 0.537 nan 8.190 nan 0.000 0.447 150 A N 1.125 123.908 122.820 -0.063 0.000 2.507 150 A HA 0.293 4.613 4.320 0.000 0.000 0.235 150 A C 0.257 177.810 177.584 -0.052 0.000 1.070 150 A CA 0.239 52.250 52.037 -0.043 0.000 0.768 150 A CB -0.169 18.814 19.000 -0.028 0.000 1.011 150 A HN 0.662 nan 8.150 nan 0.000 0.502 151 E N 0.324 120.487 120.200 -0.061 0.000 2.175 151 E HA 0.285 4.635 4.350 0.000 0.000 0.278 151 E C -0.611 175.953 176.600 -0.061 0.000 0.969 151 E CA -0.858 55.505 56.400 -0.062 0.000 0.796 151 E CB 1.346 31.000 29.700 -0.076 0.000 1.104 151 E HN 0.532 nan 8.360 nan 0.000 0.395 152 K N 2.149 122.519 120.400 -0.050 0.000 2.419 152 K HA 0.057 4.377 4.320 0.000 0.000 0.282 152 K C -1.125 175.443 176.600 -0.053 0.000 1.056 152 K CA 0.086 56.346 56.287 -0.046 0.000 1.035 152 K CB 0.300 32.778 32.500 -0.036 0.000 0.921 152 K HN 0.170 nan 8.250 nan 0.000 0.472 153 V N 6.182 126.062 119.914 -0.057 0.000 2.334 153 V HA 0.077 4.197 4.120 0.000 0.000 0.281 153 V C 0.960 177.024 176.094 -0.050 0.000 1.016 153 V CA -0.612 61.651 62.300 -0.061 0.000 0.832 153 V CB 1.220 32.997 31.823 -0.077 0.000 0.999 153 V HN 0.928 nan 8.190 nan 0.000 0.439 154 E N 2.773 122.947 120.200 -0.044 0.000 2.055 154 E HA -0.230 4.120 4.350 0.000 0.000 0.209 154 E C 0.825 177.403 176.600 -0.036 0.000 1.036 154 E CA 1.615 57.994 56.400 -0.036 0.000 0.849 154 E CB 0.223 29.904 29.700 -0.032 0.000 0.767 154 E HN 0.713 nan 8.360 nan 0.000 0.461 155 Q N 0.037 119.813 119.800 -0.040 0.000 2.295 155 Q HA 0.222 4.562 4.340 0.000 0.000 0.259 155 Q C -1.433 174.538 176.000 -0.048 0.000 0.966 155 Q CA -0.321 55.459 55.803 -0.039 0.000 0.763 155 Q CB 2.019 30.738 28.738 -0.032 0.000 1.283 155 Q HN -0.112 nan 8.270 nan 0.000 0.445 156 V N 5.720 125.602 119.914 -0.053 0.000 2.450 156 V HA -0.081 4.039 4.120 0.000 0.000 0.264 156 V C 1.086 177.145 176.094 -0.058 0.000 0.996 156 V CA 1.062 63.324 62.300 -0.064 0.000 1.138 156 V CB -0.449 31.334 31.823 -0.068 0.000 1.051 156 V HN 0.736 nan 8.190 nan 0.000 0.470 157 R N 2.077 122.541 120.500 -0.060 0.000 2.167 157 R HA 0.122 4.462 4.340 0.000 0.000 0.195 157 R C 1.155 177.420 176.300 -0.059 0.000 1.027 157 R CA 0.768 56.837 56.100 -0.052 0.000 1.114 157 R CB 0.198 30.473 30.300 -0.042 0.000 1.075 157 R HN 0.717 nan 8.270 nan 0.000 0.538 158 T N -1.699 112.814 114.554 -0.069 0.000 2.847 158 T HA 0.192 4.542 4.350 0.000 0.000 0.279 158 T C 1.159 175.806 174.700 -0.089 0.000 0.984 158 T CA -0.509 61.547 62.100 -0.073 0.000 0.988 158 T CB 1.766 70.595 68.868 -0.066 0.000 1.040 158 T HN -0.157 nan 8.240 nan 0.000 0.528 159 S N -0.383 115.266 115.700 -0.086 0.000 2.423 159 S HA -0.087 4.383 4.470 0.000 0.000 0.231 159 S C 1.861 176.410 174.600 -0.085 0.000 1.014 159 S CA 1.132 59.279 58.200 -0.089 0.000 0.965 159 S CB -0.501 62.652 63.200 -0.078 0.000 0.785 159 S HN 0.891 nan 8.310 nan 0.000 0.495 160 E N 1.038 121.200 120.200 -0.062 0.000 2.106 160 E HA -0.195 4.155 4.350 0.000 0.000 0.192 160 E C 1.082 177.530 176.600 -0.253 0.000 0.984 160 E CA 1.303 57.619 56.400 -0.141 0.000 0.806 160 E CB -0.069 29.541 29.700 -0.150 0.000 0.750 160 E HN 0.298 nan 8.360 nan 0.000 0.458 161 D N 0.303 120.596 120.400 -0.180 0.000 2.084 161 D HA -0.146 4.494 4.640 0.000 0.000 0.194 161 D C 2.093 178.288 176.300 -0.175 0.000 0.990 161 D CA 1.301 55.200 54.000 -0.169 0.000 0.826 161 D CB -0.360 40.368 40.800 -0.120 0.000 0.971 161 D HN 0.065 nan 8.370 nan 0.000 0.453 162 V N 0.428 120.242 119.914 -0.167 0.000 2.278 162 V HA -0.262 3.858 4.120 0.000 0.000 0.251 162 V C 2.514 178.465 176.094 -0.237 0.000 1.062 162 V CA 1.384 63.575 62.300 -0.182 0.000 1.038 162 V CB -0.483 31.234 31.823 -0.177 0.000 0.646 162 V HN 0.075 nan 8.190 nan 0.000 0.447 163 V N -1.142 118.593 119.914 -0.300 0.000 2.255 163 V HA -0.163 3.957 4.120 0.000 0.000 0.243 163 V C 2.350 178.317 176.094 -0.212 0.000 1.038 163 V CA 1.670 63.760 62.300 -0.351 0.000 1.008 163 V CB -0.312 31.216 31.823 -0.492 0.000 0.645 163 V HN 0.363 nan 8.190 nan 0.000 0.449 164 V N 1.327 121.096 119.914 -0.242 0.000 2.453 164 V HA -0.220 3.900 4.120 0.000 0.000 0.252 164 V C 2.428 178.433 176.094 -0.147 0.000 1.068 164 V CA 2.407 64.576 62.300 -0.219 0.000 1.070 164 V CB -0.443 31.162 31.823 -0.363 0.000 0.664 164 V HN 0.773 nan 8.190 nan 0.000 0.461 165 S N -2.261 113.347 115.700 -0.154 0.000 2.605 165 S HA 0.117 4.587 4.470 0.000 0.000 0.217 165 S C 1.427 175.958 174.600 -0.114 0.000 0.958 165 S CA 0.175 58.304 58.200 -0.118 0.000 0.919 165 S CB 0.151 63.284 63.200 -0.112 0.000 0.780 165 S HN 0.601 nan 8.310 nan 0.000 0.507 166 K N 0.389 120.699 120.400 -0.149 0.000 2.424 166 K HA 0.259 4.579 4.320 0.000 0.000 0.198 166 K C 1.218 177.673 176.600 -0.242 0.000 1.190 166 K CA 0.796 56.970 56.287 -0.188 0.000 0.935 166 K CB 1.133 33.487 32.500 -0.244 0.000 1.087 166 K HN 0.337 nan 8.250 nan 0.000 0.524 167 V N -3.439 116.364 119.914 -0.186 0.000 3.382 167 V HA 0.513 4.633 4.120 0.000 0.000 0.296 167 V C 0.443 176.595 176.094 0.096 0.000 1.529 167 V CA 0.101 62.342 62.300 -0.097 0.000 1.048 167 V CB 0.099 31.814 31.823 -0.181 0.000 0.878 167 V HN 0.286 nan 8.190 nan 0.000 0.442 168 G N 1.667 110.487 108.800 0.034 0.000 2.698 168 G HA2 -0.226 3.734 3.960 0.000 0.000 0.225 168 G HA3 -0.226 3.734 3.960 0.000 0.000 0.225 168 G C 0.134 175.104 174.900 0.117 0.000 1.345 168 G CA 0.553 45.680 45.100 0.045 0.000 0.871 168 G HN 0.684 nan 8.290 nan 0.000 0.540 169 R N -0.385 120.186 120.500 0.118 0.000 2.075 169 R HA 0.133 4.473 4.340 0.000 0.000 0.220 169 R C 2.172 178.640 176.300 0.280 0.000 1.118 169 R CA 1.993 58.208 56.100 0.193 0.000 0.986 169 R CB -0.790 29.581 30.300 0.117 0.000 0.884 169 R HN 0.595 nan 8.270 nan 0.000 0.439 170 D N -0.145 120.395 120.400 0.233 0.000 2.123 170 D HA -0.149 4.491 4.640 0.000 0.000 0.196 170 D C 1.762 178.261 176.300 0.332 0.000 0.992 170 D CA 1.439 55.599 54.000 0.265 0.000 0.833 170 D CB 0.002 40.974 40.800 0.287 0.000 0.954 170 D HN 0.270 nan 8.370 nan 0.000 0.455 171 L N -0.629 120.836 121.223 0.405 0.000 2.056 171 L HA -0.148 4.192 4.340 0.000 0.000 0.207 171 L C 2.253 179.427 176.870 0.506 0.000 1.078 171 L CA 0.984 56.120 54.840 0.493 0.000 0.749 171 L CB -0.638 41.707 42.059 0.478 0.000 0.901 171 L HN 0.198 nan 8.230 nan 0.000 0.433 172 Y N 1.717 122.205 120.300 0.314 0.000 2.114 172 Y HA -0.342 4.208 4.550 0.000 0.000 0.282 172 Y C 2.487 178.563 175.900 0.293 0.000 1.165 172 Y CA 1.980 60.266 58.100 0.311 0.000 1.148 172 Y CB -0.402 38.149 38.460 0.152 0.000 0.972 172 Y HN 0.253 nan 8.280 nan 0.000 0.504 173 N N 0.541 119.280 118.700 0.065 0.000 2.084 173 N HA -0.160 4.580 4.740 0.000 0.000 0.190 173 N C 1.701 177.162 175.510 -0.081 0.000 1.030 173 N CA 1.851 54.852 53.050 -0.082 0.000 0.849 173 N CB -0.388 38.132 38.487 0.056 0.000 1.012 173 N HN 0.482 nan 8.380 nan 0.000 0.423 174 K N -0.530 119.855 120.400 -0.024 0.000 2.155 174 K HA 0.024 4.345 4.320 0.000 0.000 0.203 174 K C 1.186 177.505 176.600 -0.468 0.000 1.052 174 K CA 0.827 56.971 56.287 -0.238 0.000 0.948 174 K CB 0.016 32.351 32.500 -0.275 0.000 0.728 174 K HN 0.176 nan 8.250 nan 0.000 0.448 175 F N -2.010 117.891 119.950 -0.082 0.000 2.680 175 F HA 0.172 4.699 4.527 0.000 0.000 0.290 175 F C 1.393 176.916 175.800 -0.462 0.000 1.114 175 F CA -0.004 57.829 58.000 -0.278 0.000 1.333 175 F CB 0.410 39.201 39.000 -0.349 0.000 1.091 175 F HN -0.147 nan 8.300 nan 0.000 0.606 176 F N -0.724 119.247 119.950 0.034 0.000 2.532 176 F HA 0.251 4.778 4.527 0.000 0.000 0.276 176 F C 2.362 178.102 175.800 -0.101 0.000 0.911 176 F CA 0.090 58.085 58.000 -0.009 0.000 1.196 176 F CB -0.671 38.355 39.000 0.043 0.000 1.087 176 F HN -0.411 nan 8.300 nan 0.000 0.775 177 R N 0.863 121.195 120.500 -0.280 0.000 2.122 177 R HA -0.174 4.166 4.340 0.000 0.000 0.236 177 R C 2.324 178.611 176.300 -0.021 0.000 1.129 177 R CA 2.231 58.160 56.100 -0.285 0.000 0.925 177 R CB -1.199 28.806 30.300 -0.493 0.000 0.850 177 R HN 0.403 nan 8.270 nan 0.000 0.431 178 G N -0.673 108.111 108.800 -0.028 0.000 2.440 178 G HA2 -0.343 3.617 3.960 0.000 0.000 0.218 178 G HA3 -0.343 3.617 3.960 0.000 0.000 0.218 178 G C 1.343 176.288 174.900 0.074 0.000 1.154 178 G CA 0.987 46.095 45.100 0.014 0.000 0.767 178 G HN 0.535 nan 8.290 nan 0.000 0.552 179 Y N 1.662 121.962 120.300 0.001 0.000 2.089 179 Y HA -0.159 4.391 4.550 0.000 0.000 0.282 179 Y C 3.247 179.215 175.900 0.113 0.000 1.139 179 Y CA 2.413 60.536 58.100 0.038 0.000 1.123 179 Y CB -0.372 38.094 38.460 0.011 0.000 0.980 179 Y HN 0.209 nan 8.280 nan 0.000 0.493 180 T N 0.771 115.593 114.554 0.446 0.000 2.684 180 T HA -0.226 4.124 4.350 0.000 0.000 0.267 180 T C 1.857 176.763 174.700 0.344 0.000 1.036 180 T CA 1.883 64.275 62.100 0.488 0.000 1.148 180 T CB -0.337 68.781 68.868 0.417 0.000 0.863 180 T HN 0.325 nan 8.240 nan 0.000 0.436 181 R N 0.738 121.358 120.500 0.200 0.000 2.117 181 R HA -0.125 4.215 4.340 0.000 0.000 0.243 181 R C 2.549 178.900 176.300 0.086 0.000 1.143 181 R CA 1.603 57.785 56.100 0.135 0.000 0.968 181 R CB -0.205 30.144 30.300 0.081 0.000 0.863 181 R HN 0.357 nan 8.270 nan 0.000 0.444 182 K N 0.602 121.009 120.400 0.013 0.000 2.062 182 K HA -0.210 4.110 4.320 0.000 0.000 0.205 182 K C 2.206 178.724 176.600 -0.136 0.000 1.051 182 K CA 1.490 57.726 56.287 -0.085 0.000 0.941 182 K CB 0.087 32.482 32.500 -0.175 0.000 0.719 182 K HN -0.022 nan 8.250 nan 0.000 0.440 183 Q N -0.846 118.833 119.800 -0.200 0.000 2.083 183 Q HA -0.103 4.237 4.340 0.000 0.000 0.198 183 Q C 1.101 176.862 176.000 -0.399 0.000 0.969 183 Q CA 1.859 57.430 55.803 -0.386 0.000 0.838 183 Q CB -0.054 28.367 28.738 -0.529 0.000 0.900 183 Q HN 0.439 nan 8.270 nan 0.000 0.436 184 W N -1.401 119.873 121.300 -0.042 0.000 2.907 184 W HA 0.420 5.081 4.660 0.000 0.000 0.271 184 W C 1.295 177.823 176.519 0.015 0.000 1.253 184 W CA 0.324 57.661 57.345 -0.013 0.000 1.501 184 W CB 0.365 29.831 29.460 0.011 0.000 1.047 184 W HN 0.308 nan 8.180 nan 0.000 0.610 185 G N 0.295 109.216 108.800 0.201 0.000 2.184 185 G HA2 -0.284 3.676 3.960 0.000 0.000 0.264 185 G HA3 -0.284 3.676 3.960 0.000 0.000 0.264 185 G C -0.337 174.654 174.900 0.152 0.000 0.975 185 G CA 0.248 45.432 45.100 0.140 0.000 0.642 185 G HN 0.067 nan 8.290 nan 0.000 0.536 186 L N 0.614 121.960 121.223 0.206 0.000 2.333 186 L HA 0.602 4.942 4.340 0.000 0.000 0.269 186 L C 0.307 177.255 176.870 0.131 0.000 1.010 186 L CA -1.213 53.713 54.840 0.142 0.000 0.818 186 L CB 1.540 43.668 42.059 0.114 0.000 1.306 186 L HN 0.202 nan 8.230 nan 0.000 0.430 187 D N 1.949 122.407 120.400 0.098 0.000 2.362 187 D HA 0.110 4.750 4.640 0.000 0.000 0.242 187 D C -1.809 174.548 176.300 0.096 0.000 1.132 187 D CA -1.354 52.712 54.000 0.111 0.000 0.907 187 D CB 2.057 42.920 40.800 0.105 0.000 1.195 187 D HN 0.265 nan 8.370 nan 0.000 0.429 188 P HA -0.149 nan 4.420 nan 0.000 0.220 188 P C 1.257 178.585 177.300 0.046 0.000 1.144 188 P CA 1.185 64.357 63.100 0.119 0.000 0.800 188 P CB 0.114 31.991 31.700 0.297 0.000 0.772 189 S N -0.704 115.029 115.700 0.056 0.000 2.436 189 S HA -0.086 4.384 4.470 0.000 0.000 0.228 189 S C 1.353 175.947 174.600 -0.010 0.000 1.014 189 S CA 0.659 58.862 58.200 0.006 0.000 0.950 189 S CB -0.907 62.301 63.200 0.013 0.000 0.784 189 S HN 0.266 nan 8.310 nan 0.000 0.504 190 E N 1.071 121.270 120.200 -0.002 0.000 2.320 190 E HA 0.351 4.701 4.350 0.000 0.000 0.189 190 E C -0.577 175.992 176.600 -0.053 0.000 1.100 190 E CA -0.065 56.328 56.400 -0.012 0.000 1.009 190 E CB -0.072 29.636 29.700 0.013 0.000 1.145 190 E HN 0.507 nan 8.360 nan 0.000 0.454 191 L N 0.570 121.741 121.223 -0.086 0.000 2.401 191 L HA 0.315 4.655 4.340 0.000 0.000 0.266 191 L C -0.068 176.725 176.870 -0.127 0.000 0.991 191 L CA -1.107 53.636 54.840 -0.161 0.000 0.818 191 L CB 2.219 44.102 42.059 -0.293 0.000 1.321 191 L HN -0.032 nan 8.230 nan 0.000 0.413 192 D N 1.138 121.462 120.400 -0.127 0.000 2.443 192 D HA 0.056 4.696 4.640 0.000 0.000 0.239 192 D C 0.785 177.027 176.300 -0.095 0.000 1.136 192 D CA 0.406 54.354 54.000 -0.088 0.000 0.879 192 D CB 1.963 42.724 40.800 -0.065 0.000 1.195 192 D HN 0.705 nan 8.370 nan 0.000 0.443 193 A N 2.730 125.504 122.820 -0.076 0.000 2.076 193 A HA -0.203 4.117 4.320 0.000 0.000 0.220 193 A C 2.083 179.626 177.584 -0.069 0.000 1.160 193 A CA 1.908 53.897 52.037 -0.080 0.000 0.653 193 A CB -0.503 18.451 19.000 -0.077 0.000 0.801 193 A HN 0.631 nan 8.150 nan 0.000 0.455 194 S N -0.531 115.139 115.700 -0.051 0.000 2.493 194 S HA -0.099 4.371 4.470 0.000 0.000 0.243 194 S C 1.573 176.162 174.600 -0.018 0.000 0.991 194 S CA 1.305 59.487 58.200 -0.031 0.000 0.957 194 S CB -0.719 62.474 63.200 -0.011 0.000 0.756 194 S HN 0.270 nan 8.310 nan 0.000 0.521 195 V N 2.704 122.604 119.914 -0.022 0.000 2.256 195 V HA -0.098 4.022 4.120 0.000 0.000 0.240 195 V C 3.096 179.234 176.094 0.073 0.000 1.036 195 V CA 2.011 64.338 62.300 0.045 0.000 1.008 195 V CB -1.436 30.325 31.823 -0.102 0.000 0.648 195 V HN 0.813 nan 8.190 nan 0.000 0.453 196 T N -1.215 113.350 114.554 0.018 0.000 3.085 196 T HA 0.082 4.432 4.350 0.000 0.000 0.263 196 T C 1.642 176.305 174.700 -0.061 0.000 1.127 196 T CA 1.006 63.111 62.100 0.010 0.000 1.103 196 T CB -0.157 68.615 68.868 -0.161 0.000 0.921 196 T HN 0.400 nan 8.240 nan 0.000 0.510 197 A N 1.569 124.348 122.820 -0.069 0.000 2.167 197 A HA 0.174 4.494 4.320 0.000 0.000 0.214 197 A C 2.463 180.011 177.584 -0.061 0.000 1.151 197 A CA 0.335 52.324 52.037 -0.080 0.000 0.735 197 A CB -0.523 18.433 19.000 -0.073 0.000 0.802 197 A HN 0.498 nan 8.150 nan 0.000 0.467 198 R N -0.767 119.709 120.500 -0.040 0.000 2.148 198 R HA -0.002 4.338 4.340 0.000 0.000 0.227 198 R C -0.271 175.983 176.300 -0.076 0.000 1.103 198 R CA 0.847 56.915 56.100 -0.053 0.000 0.983 198 R CB -0.090 30.172 30.300 -0.063 0.000 0.874 198 R HN 0.298 nan 8.270 nan 0.000 0.451 199 V N 4.203 124.090 119.914 -0.045 0.000 2.294 199 V HA 0.199 4.319 4.120 0.000 0.000 0.272 199 V C -1.975 174.076 176.094 -0.072 0.000 1.027 199 V CA -1.915 60.330 62.300 -0.091 0.000 0.823 199 V CB 1.036 32.881 31.823 0.038 0.000 1.030 199 V HN 0.078 nan 8.190 nan 0.000 0.457 200 P HA 0.167 nan 4.420 nan 0.000 0.272 200 P C -0.097 177.129 177.300 -0.123 0.000 1.223 200 P CA 0.031 63.056 63.100 -0.124 0.000 0.784 200 P CB 0.818 32.441 31.700 -0.128 0.000 0.923 201 T N 2.654 117.120 114.554 -0.147 0.000 2.867 201 T HA 0.388 4.738 4.350 0.000 0.000 0.282 201 T C 0.198 174.820 174.700 -0.130 0.000 1.000 201 T CA -0.507 61.484 62.100 -0.182 0.000 1.042 201 T CB 0.508 69.171 68.868 -0.343 0.000 0.973 201 T HN 0.299 nan 8.240 nan 0.000 0.465 202 R N 1.091 121.553 120.500 -0.064 0.000 2.637 202 R HA 0.455 4.795 4.340 0.000 0.000 0.291 202 R C 0.929 177.299 176.300 0.117 0.000 0.963 202 R CA -0.662 55.434 56.100 -0.007 0.000 0.901 202 R CB 1.206 31.478 30.300 -0.048 0.000 1.160 202 R HN 0.716 nan 8.270 nan 0.000 0.457 203 T N -2.369 112.243 114.554 0.097 0.000 3.069 203 T HA 0.019 4.369 4.350 0.000 0.000 0.252 203 T C 0.507 175.186 174.700 -0.035 0.000 1.053 203 T CA -0.278 61.884 62.100 0.103 0.000 0.964 203 T CB -0.354 68.573 68.868 0.097 0.000 1.005 203 T HN 0.597 nan 8.240 nan 0.000 0.532 204 N N 1.312 119.983 118.700 -0.049 0.000 2.681 204 N HA 0.345 5.086 4.740 0.000 0.000 0.311 204 N C 0.520 175.984 175.510 -0.077 0.000 1.303 204 N CA -1.164 51.833 53.050 -0.090 0.000 0.926 204 N CB 0.578 39.010 38.487 -0.090 0.000 1.136 204 N HN 0.042 nan 8.380 nan 0.000 0.592 205 R N -1.618 118.832 120.500 -0.083 0.000 2.432 205 R HA 0.188 4.528 4.340 0.000 0.000 0.260 205 R C -0.632 175.622 176.300 -0.077 0.000 0.935 205 R CA -0.450 55.604 56.100 -0.077 0.000 1.080 205 R CB -0.102 30.154 30.300 -0.074 0.000 1.155 205 R HN 0.564 nan 8.270 nan 0.000 0.531 206 D N 2.370 122.722 120.400 -0.080 0.000 2.472 206 D HA -0.066 4.574 4.640 0.000 0.000 0.248 206 D C 0.453 176.695 176.300 -0.098 0.000 1.174 206 D CA 0.436 54.385 54.000 -0.086 0.000 0.883 206 D CB 0.672 41.418 40.800 -0.089 0.000 1.149 206 D HN 0.217 nan 8.370 nan 0.000 0.488 207 N N 2.725 121.365 118.700 -0.100 0.000 2.187 207 N HA 0.002 4.742 4.740 0.000 0.000 0.212 207 N C -0.134 175.298 175.510 -0.129 0.000 1.152 207 N CA -0.361 52.622 53.050 -0.112 0.000 0.872 207 N CB 0.132 38.558 38.487 -0.102 0.000 1.025 207 N HN 0.121 nan 8.380 nan 0.000 0.514 208 R N 0.250 120.673 120.500 -0.129 0.000 2.537 208 R HA 0.058 4.398 4.340 0.000 0.000 0.280 208 R C 0.515 176.704 176.300 -0.185 0.000 1.058 208 R CA -0.375 55.640 56.100 -0.142 0.000 1.057 208 R CB 0.303 30.538 30.300 -0.107 0.000 0.973 208 R HN 0.052 nan 8.270 nan 0.000 0.438 209 Y N 2.505 122.549 120.300 -0.428 0.000 2.181 209 Y HA -0.100 4.450 4.550 0.000 0.000 0.288 209 Y C -0.000 175.441 175.900 -0.765 0.000 1.146 209 Y CA 1.414 59.118 58.100 -0.660 0.000 1.164 209 Y CB 0.233 38.151 38.460 -0.903 0.000 0.982 209 Y HN 0.406 nan 8.280 nan 0.000 0.515 210 F N -1.758 118.120 119.950 -0.120 0.000 2.450 210 F HA 0.526 5.053 4.527 0.000 0.000 0.332 210 F C 0.837 176.534 175.800 -0.171 0.000 1.093 210 F CA -0.460 57.397 58.000 -0.239 0.000 1.003 210 F CB 1.398 40.189 39.000 -0.348 0.000 1.151 210 F HN -0.184 nan 8.300 nan 0.000 0.474 211 A N 0.636 123.470 122.820 0.024 0.000 2.308 211 A HA 0.181 4.501 4.320 0.000 0.000 0.217 211 A C 0.087 177.655 177.584 -0.026 0.000 1.216 211 A CA -0.272 51.749 52.037 -0.027 0.000 0.864 211 A CB -0.711 18.255 19.000 -0.057 0.000 0.902 211 A HN 0.721 nan 8.150 nan 0.000 0.499 212 D N -0.500 119.908 120.400 0.014 0.000 2.370 212 D HA 0.127 4.767 4.640 0.000 0.000 0.235 212 D C 1.198 177.424 176.300 -0.123 0.000 1.228 212 D CA 0.838 54.823 54.000 -0.025 0.000 0.884 212 D CB 0.446 41.264 40.800 0.031 0.000 1.201 212 D HN 0.075 nan 8.370 nan 0.000 0.456 213 T N -0.497 113.925 114.554 -0.220 0.000 2.937 213 T HA -0.039 4.311 4.350 0.000 0.000 0.260 213 T C 0.089 174.322 174.700 -0.779 0.000 1.051 213 T CA 0.831 62.625 62.100 -0.509 0.000 1.141 213 T CB -0.128 68.345 68.868 -0.658 0.000 0.879 213 T HN 0.302 nan 8.240 nan 0.000 0.459 214 Y N 2.053 122.184 120.300 -0.282 0.000 2.464 214 Y HA 0.499 5.049 4.550 0.000 0.000 0.326 214 Y C 0.030 175.771 175.900 -0.265 0.000 0.969 214 Y CA -1.069 56.740 58.100 -0.486 0.000 1.270 214 Y CB 0.691 38.673 38.460 -0.797 0.000 1.103 214 Y HN -0.005 nan 8.280 nan 0.000 0.491 215 Q N 2.898 122.660 119.800 -0.064 0.000 2.310 215 Q HA 0.889 5.229 4.340 0.000 0.000 0.270 215 Q C -1.161 174.954 176.000 0.193 0.000 1.025 215 Q CA -1.068 54.796 55.803 0.102 0.000 0.772 215 Q CB 2.593 31.386 28.738 0.092 0.000 1.253 215 Q HN 0.746 nan 8.270 nan 0.000 0.450 216 A N 2.826 125.878 122.820 0.385 0.000 2.586 216 A HA 0.557 4.877 4.320 0.000 0.000 0.296 216 A C -1.515 176.503 177.584 0.724 0.000 1.040 216 A CA -0.782 51.555 52.037 0.500 0.000 0.701 216 A CB 1.282 20.529 19.000 0.412 0.000 1.277 216 A HN 0.535 nan 8.150 nan 0.000 0.413 217 M N 1.649 121.603 119.600 0.589 0.000 2.363 217 M HA 0.389 4.869 4.480 0.000 0.000 0.343 217 M C -2.521 173.869 176.300 0.149 0.000 1.165 217 M CA -2.454 53.072 55.300 0.378 0.000 1.046 217 M CB 0.705 33.413 32.600 0.180 0.000 1.648 217 M HN 0.304 nan 8.290 nan 0.000 0.452 218 P HA -0.047 nan 4.420 nan 0.000 0.260 218 P C 0.893 177.937 177.300 -0.426 0.000 1.185 218 P CA -0.029 62.685 63.100 -0.643 0.000 0.763 218 P CB 0.234 31.457 31.700 -0.795 0.000 0.776 219 L N 4.726 125.681 121.223 -0.446 0.000 2.081 219 L HA -0.187 4.153 4.340 0.000 0.000 0.212 219 L C 1.279 177.789 176.870 -0.599 0.000 1.080 219 L CA 2.113 56.666 54.840 -0.477 0.000 0.754 219 L CB -0.844 40.863 42.059 -0.587 0.000 0.893 219 L HN 0.479 nan 8.230 nan 0.000 0.433 220 H N -0.762 118.197 119.070 -0.186 0.000 2.469 220 H HA 0.536 5.092 4.556 0.000 0.000 0.286 220 H C 0.870 176.106 175.328 -0.153 0.000 1.106 220 H CA 0.391 56.365 56.048 -0.124 0.000 1.055 220 H CB -0.302 29.403 29.762 -0.096 0.000 1.618 220 H HN 0.338 nan 8.280 nan 0.000 0.559 221 G N 0.056 108.747 108.800 -0.181 0.000 2.707 221 G HA2 -0.270 3.690 3.960 0.000 0.000 0.686 221 G HA3 -0.270 3.690 3.960 0.000 0.000 0.686 221 G C 0.031 174.756 174.900 -0.293 0.000 1.315 221 G CA -0.464 44.501 45.100 -0.224 0.000 0.832 221 G HN 0.263 nan 8.290 nan 0.000 0.573 222 Y N 0.119 120.337 120.300 -0.137 0.000 2.263 222 Y HA -0.022 4.528 4.550 0.000 0.000 0.292 222 Y C 3.380 179.288 175.900 0.013 0.000 1.130 222 Y CA 2.192 60.229 58.100 -0.105 0.000 1.179 222 Y CB -0.327 38.136 38.460 0.005 0.000 0.998 222 Y HN 0.623 nan 8.280 nan 0.000 0.532 223 T N 0.050 114.686 114.554 0.138 0.000 2.746 223 T HA -0.157 4.193 4.350 0.000 0.000 0.267 223 T C 1.984 176.736 174.700 0.087 0.000 1.039 223 T CA 1.188 63.368 62.100 0.135 0.000 1.142 223 T CB -0.122 68.715 68.868 -0.052 0.000 0.866 223 T HN 0.234 nan 8.240 nan 0.000 0.444 224 R N 0.538 121.039 120.500 0.001 0.000 2.092 224 R HA 0.064 4.404 4.340 0.000 0.000 0.231 224 R C 2.459 178.713 176.300 -0.077 0.000 1.119 224 R CA 0.872 56.954 56.100 -0.030 0.000 0.970 224 R CB -0.615 29.665 30.300 -0.034 0.000 0.864 224 R HN 0.459 nan 8.270 nan 0.000 0.440 225 M N 0.006 119.516 119.600 -0.151 0.000 2.059 225 M HA -0.181 4.299 4.480 0.000 0.000 0.259 225 M C 1.795 177.914 176.300 -0.301 0.000 1.072 225 M CA 1.888 57.020 55.300 -0.279 0.000 1.117 225 M CB -0.291 32.038 32.600 -0.451 0.000 1.320 225 M HN -0.030 nan 8.290 nan 0.000 0.408 226 F N 0.727 120.547 119.950 -0.217 0.000 2.154 226 F HA -0.316 4.211 4.527 0.000 0.000 0.301 226 F C 2.632 178.313 175.800 -0.200 0.000 1.087 226 F CA 2.016 59.865 58.000 -0.251 0.000 1.274 226 F CB -0.641 38.221 39.000 -0.230 0.000 1.009 226 F HN 0.336 nan 8.300 nan 0.000 0.485 227 Q N 0.114 119.938 119.800 0.040 0.000 2.061 227 Q HA -0.222 4.118 4.340 0.000 0.000 0.204 227 Q C 1.994 177.964 176.000 -0.048 0.000 0.984 227 Q CA 1.755 57.555 55.803 -0.004 0.000 0.846 227 Q CB -0.140 28.598 28.738 0.001 0.000 0.902 227 Q HN 0.319 nan 8.270 nan 0.000 0.421 228 N N -0.269 118.390 118.700 -0.069 0.000 2.188 228 N HA -0.115 4.625 4.740 0.000 0.000 0.184 228 N C 1.507 176.955 175.510 -0.103 0.000 1.018 228 N CA 1.049 54.076 53.050 -0.039 0.000 0.858 228 N CB -0.160 38.341 38.487 0.023 0.000 0.989 228 N HN 0.280 nan 8.380 nan 0.000 0.426 229 M N 0.019 119.428 119.600 -0.320 0.000 2.279 229 M HA -0.053 4.428 4.480 0.000 0.000 0.264 229 M C 0.694 176.804 176.300 -0.317 0.000 1.062 229 M CA 1.172 56.092 55.300 -0.634 0.000 1.099 229 M CB 0.071 32.230 32.600 -0.736 0.000 1.394 229 M HN 0.063 nan 8.290 nan 0.000 0.426 230 L N -1.162 119.961 121.223 -0.167 0.000 2.910 230 L HA 0.116 4.456 4.340 0.000 0.000 0.252 230 L C 1.912 178.744 176.870 -0.064 0.000 1.195 230 L CA -0.183 54.594 54.840 -0.106 0.000 1.003 230 L CB -0.101 41.910 42.059 -0.080 0.000 1.328 230 L HN 0.229 nan 8.230 nan 0.000 0.540 231 S N -1.944 113.725 115.700 -0.051 0.000 2.470 231 S HA -0.041 4.429 4.470 0.000 0.000 0.225 231 S C 1.203 175.798 174.600 -0.009 0.000 1.006 231 S CA 0.016 58.202 58.200 -0.023 0.000 0.934 231 S CB -0.028 63.163 63.200 -0.015 0.000 0.778 231 S HN 0.326 nan 8.310 nan 0.000 0.517 232 S N 3.146 118.843 115.700 -0.005 0.000 2.553 232 S HA 0.065 4.535 4.470 0.000 0.000 0.293 232 S C -1.506 173.104 174.600 0.016 0.000 1.296 232 S CA -0.646 57.560 58.200 0.009 0.000 1.046 232 S CB 0.373 63.580 63.200 0.011 0.000 0.810 232 S HN 0.200 nan 8.310 nan 0.000 0.505 233 P HA 0.006 nan 4.420 nan 0.000 0.222 233 P C 0.503 177.835 177.300 0.053 0.000 1.147 233 P CA 0.867 63.988 63.100 0.035 0.000 0.790 233 P CB 0.015 31.735 31.700 0.033 0.000 0.780 234 N N -0.994 117.740 118.700 0.056 0.000 2.467 234 N HA 0.068 4.808 4.740 0.000 0.000 0.184 234 N C 0.308 175.872 175.510 0.090 0.000 1.106 234 N CA 0.390 53.491 53.050 0.085 0.000 0.892 234 N CB -0.162 38.375 38.487 0.083 0.000 0.969 234 N HN 0.212 nan 8.380 nan 0.000 0.454 235 I N 1.201 121.799 120.570 0.047 0.000 2.330 235 I HA 0.180 4.351 4.170 0.000 0.000 0.289 235 I C -0.298 175.822 176.117 0.005 0.000 1.001 235 I CA -0.843 60.462 61.300 0.008 0.000 1.193 235 I CB 1.048 39.028 38.000 -0.032 0.000 1.345 235 I HN -0.308 nan 8.210 nan 0.000 0.461 236 K N 5.813 126.202 120.400 -0.017 0.000 2.156 236 K HA 0.555 4.875 4.320 0.000 0.000 0.271 236 K C -0.696 175.842 176.600 -0.104 0.000 0.995 236 K CA -0.678 55.591 56.287 -0.030 0.000 0.890 236 K CB 2.217 34.724 32.500 0.012 0.000 1.073 236 K HN 0.238 nan 8.250 nan 0.000 0.454 237 V N 3.897 123.767 119.914 -0.074 0.000 2.448 237 V HA 0.448 4.569 4.120 0.000 0.000 0.295 237 V C -0.322 175.719 176.094 -0.087 0.000 1.025 237 V CA -0.819 61.423 62.300 -0.095 0.000 0.859 237 V CB 1.555 33.332 31.823 -0.078 0.000 0.988 237 V HN 0.739 nan 8.190 nan 0.000 0.431 238 M N 6.577 126.109 119.600 -0.112 0.000 2.190 238 M HA 0.658 5.138 4.480 0.000 0.000 0.312 238 M C -1.916 174.321 176.300 -0.104 0.000 0.990 238 M CA -0.230 55.015 55.300 -0.091 0.000 0.927 238 M CB 1.272 33.818 32.600 -0.091 0.000 1.571 238 M HN 0.526 nan 8.290 nan 0.000 0.427 239 L N 4.090 125.260 121.223 -0.089 0.000 2.354 239 L HA 0.538 4.878 4.340 0.000 0.000 0.269 239 L C 0.129 176.942 176.870 -0.096 0.000 1.005 239 L CA -0.940 53.832 54.840 -0.114 0.000 0.819 239 L CB 1.886 43.876 42.059 -0.115 0.000 1.311 239 L HN 0.971 nan 8.230 nan 0.000 0.423 240 N N 0.830 119.458 118.700 -0.120 0.000 2.771 240 N HA -0.157 4.583 4.740 0.000 0.000 0.249 240 N C -1.248 174.223 175.510 -0.066 0.000 1.069 240 N CA 0.868 53.862 53.050 -0.093 0.000 0.688 240 N CB -0.610 37.836 38.487 -0.069 0.000 0.928 240 N HN 0.787 nan 8.380 nan 0.000 0.551 241 T N 0.614 115.124 114.554 -0.073 0.000 3.293 241 T HA 0.130 4.480 4.350 0.000 0.000 0.320 241 T C -1.047 173.623 174.700 -0.050 0.000 0.995 241 T CA -0.771 61.298 62.100 -0.050 0.000 1.041 241 T CB 1.589 70.430 68.868 -0.045 0.000 1.058 241 T HN 0.176 nan 8.240 nan 0.000 0.453 242 D N 1.292 121.663 120.400 -0.049 0.000 2.362 242 D HA 0.075 4.715 4.640 0.000 0.000 0.242 242 D C 1.085 177.353 176.300 -0.054 0.000 1.132 242 D CA -0.272 53.693 54.000 -0.059 0.000 0.907 242 D CB 0.868 41.602 40.800 -0.111 0.000 1.195 242 D HN 0.697 nan 8.370 nan 0.000 0.429 243 Y N 2.529 122.796 120.300 -0.055 0.000 2.352 243 Y HA -0.028 4.522 4.550 0.000 0.000 0.292 243 Y C 2.061 177.921 175.900 -0.067 0.000 1.136 243 Y CA 0.783 58.837 58.100 -0.077 0.000 1.227 243 Y CB -0.215 38.211 38.460 -0.056 0.000 0.991 243 Y HN 0.263 nan 8.280 nan 0.000 0.545 244 R N 1.005 121.146 120.500 -0.599 0.000 2.092 244 R HA -0.111 4.229 4.340 0.000 0.000 0.231 244 R C 1.807 177.993 176.300 -0.190 0.000 1.119 244 R CA 1.610 57.448 56.100 -0.438 0.000 0.970 244 R CB -0.402 29.615 30.300 -0.472 0.000 0.864 244 R HN 0.563 nan 8.270 nan 0.000 0.440 245 E N 0.653 120.773 120.200 -0.132 0.000 2.401 245 E HA -0.140 4.210 4.350 0.000 0.000 0.199 245 E C 1.225 177.810 176.600 -0.025 0.000 1.023 245 E CA 1.016 57.402 56.400 -0.022 0.000 0.859 245 E CB 0.055 29.760 29.700 0.008 0.000 0.780 245 E HN 0.510 nan 8.360 nan 0.000 0.523 246 I N -5.546 114.897 120.570 -0.211 0.000 4.541 246 I HA 0.375 4.545 4.170 0.000 0.000 0.337 246 I C 1.614 177.364 176.117 -0.613 0.000 1.338 246 I CA -0.214 60.727 61.300 -0.599 0.000 1.244 246 I CB 0.659 38.500 38.000 -0.264 0.000 1.417 246 I HN -0.159 nan 8.210 nan 0.000 0.501 247 A N 1.375 124.043 122.820 -0.254 0.000 1.930 247 A HA -0.118 4.202 4.320 0.000 0.000 0.217 247 A C 1.826 179.394 177.584 -0.028 0.000 1.175 247 A CA 2.065 54.113 52.037 0.018 0.000 0.627 247 A CB -0.613 18.477 19.000 0.149 0.000 0.815 247 A HN 0.459 nan 8.150 nan 0.000 0.443 248 D N 0.248 120.559 120.400 -0.148 0.000 2.137 248 D HA -0.207 4.434 4.640 0.000 0.000 0.189 248 D C 1.530 177.836 176.300 0.009 0.000 0.998 248 D CA 2.176 56.163 54.000 -0.021 0.000 0.839 248 D CB -0.652 40.234 40.800 0.143 0.000 0.962 248 D HN 0.700 nan 8.370 nan 0.000 0.446 249 F N -0.514 119.493 119.950 0.095 0.000 2.746 249 F HA 0.351 4.878 4.527 0.000 0.000 0.297 249 F C 0.853 176.720 175.800 0.111 0.000 1.113 249 F CA -0.587 57.461 58.000 0.080 0.000 1.367 249 F CB -0.400 38.636 39.000 0.060 0.000 1.111 249 F HN -0.223 nan 8.300 nan 0.000 0.590 250 I N 4.536 125.115 120.570 0.014 0.000 2.342 250 I HA 0.275 4.445 4.170 0.000 0.000 0.291 250 I C -2.199 174.066 176.117 0.247 0.000 1.010 250 I CA -2.140 59.280 61.300 0.200 0.000 1.308 250 I CB 1.004 39.146 38.000 0.236 0.000 1.400 250 I HN -0.187 nan 8.210 nan 0.000 0.488 251 P HA 0.246 nan 4.420 nan 0.000 0.282 251 P C -1.154 176.296 177.300 0.251 0.000 1.262 251 P CA 0.010 63.159 63.100 0.082 0.000 0.773 251 P CB 0.339 32.050 31.700 0.020 0.000 0.879 252 F N -0.136 119.880 119.950 0.110 0.000 2.596 252 F HA 0.474 5.001 4.527 0.000 0.000 0.311 252 F C 0.837 176.672 175.800 0.059 0.000 1.116 252 F CA -1.039 57.035 58.000 0.124 0.000 0.957 252 F CB 1.292 40.375 39.000 0.139 0.000 1.250 252 F HN 0.118 nan 8.300 nan 0.000 0.444 253 Q N 0.169 120.060 119.800 0.152 0.000 2.331 253 Q HA 0.042 4.382 4.340 0.000 0.000 0.203 253 Q C -0.561 175.511 176.000 0.120 0.000 0.944 253 Q CA 0.953 56.772 55.803 0.028 0.000 0.892 253 Q CB 0.121 28.837 28.738 -0.038 0.000 0.983 253 Q HN 0.600 nan 8.270 nan 0.000 0.482 254 H N -0.737 118.407 119.070 0.123 0.000 3.137 254 H HA 0.300 4.856 4.556 0.000 0.000 0.336 254 H C -1.779 173.680 175.328 0.217 0.000 1.055 254 H CA -0.652 55.452 56.048 0.093 0.000 1.349 254 H CB 0.768 30.399 29.762 -0.217 0.000 1.939 254 H HN 0.012 nan 8.280 nan 0.000 0.487 255 M N 5.685 125.496 119.600 0.353 0.000 2.318 255 M HA 0.493 4.973 4.480 0.000 0.000 0.347 255 M C -0.990 175.166 176.300 -0.241 0.000 1.175 255 M CA -0.630 54.642 55.300 -0.046 0.000 1.075 255 M CB 0.566 33.129 32.600 -0.062 0.000 1.614 255 M HN 0.592 nan 8.290 nan 0.000 0.456 256 I N 4.948 125.352 120.570 -0.276 0.000 2.382 256 I HA 0.235 4.405 4.170 0.000 0.000 0.285 256 I C -1.594 174.315 176.117 -0.346 0.000 1.007 256 I CA -0.676 60.436 61.300 -0.312 0.000 1.142 256 I CB 1.289 39.133 38.000 -0.261 0.000 1.289 256 I HN 0.627 nan 8.210 nan 0.000 0.453 257 Y N 5.723 125.653 120.300 -0.616 0.000 2.331 257 Y HA 0.305 4.855 4.550 0.000 0.000 0.338 257 Y C 1.032 176.695 175.900 -0.395 0.000 0.976 257 Y CA -0.303 57.397 58.100 -0.667 0.000 1.137 257 Y CB 1.618 39.366 38.460 -1.188 0.000 1.172 257 Y HN 0.613 nan 8.280 nan 0.000 0.478 258 T N 1.472 115.566 114.554 -0.768 0.000 3.091 258 T HA 0.372 4.723 4.350 0.000 0.000 0.277 258 T C 0.746 175.134 174.700 -0.521 0.000 0.996 258 T CA 0.225 62.062 62.100 -0.438 0.000 0.897 258 T CB -0.444 68.270 68.868 -0.256 0.000 1.109 258 T HN 0.744 nan 8.240 nan 0.000 0.534 259 G N 2.306 110.436 108.800 -1.117 0.000 2.516 259 G HA2 0.560 4.520 3.960 0.000 0.000 0.276 259 G HA3 0.560 4.520 3.960 0.000 0.000 0.276 259 G C -2.810 172.068 174.900 -0.038 0.000 1.390 259 G CA -1.450 43.284 45.100 -0.609 0.000 1.050 259 G HN 0.267 nan 8.290 nan 0.000 0.519 260 P HA 0.189 nan 4.420 nan 0.000 0.275 260 P C 1.064 178.565 177.300 0.335 0.000 1.227 260 P CA -0.409 62.812 63.100 0.203 0.000 0.781 260 P CB 1.376 33.083 31.700 0.012 0.000 0.906 261 V N 0.536 120.589 119.914 0.232 0.000 2.446 261 V HA -0.135 3.985 4.120 0.000 0.000 0.244 261 V C 1.785 177.728 176.094 -0.251 0.000 1.039 261 V CA 1.787 64.118 62.300 0.052 0.000 1.045 261 V CB -1.616 30.261 31.823 0.090 0.000 0.681 261 V HN 0.467 nan 8.190 nan 0.000 0.459 262 D N 2.590 122.663 120.400 -0.544 0.000 2.239 262 D HA -0.220 4.420 4.640 0.000 0.000 0.202 262 D C 1.847 177.656 176.300 -0.820 0.000 0.993 262 D CA 2.031 55.511 54.000 -0.867 0.000 0.874 262 D CB -0.239 40.313 40.800 -0.413 0.000 0.922 262 D HN 0.578 nan 8.370 nan 0.000 0.464 263 A N -0.479 121.963 122.820 -0.630 0.000 1.984 263 A HA 0.105 4.425 4.320 0.000 0.000 0.214 263 A C 1.934 179.295 177.584 -0.371 0.000 1.173 263 A CA 0.269 51.844 52.037 -0.769 0.000 0.673 263 A CB -0.854 18.040 19.000 -0.176 0.000 0.830 263 A HN 0.174 nan 8.150 nan 0.000 0.453 264 F N 0.175 119.842 119.950 -0.472 0.000 2.126 264 F HA -0.076 4.451 4.527 0.000 0.000 0.299 264 F C 0.659 176.076 175.800 -0.639 0.000 1.096 264 F CA 1.154 58.752 58.000 -0.670 0.000 1.255 264 F CB -0.194 38.120 39.000 -1.142 0.000 0.997 264 F HN 0.201 nan 8.300 nan 0.000 0.479 265 F N 1.216 121.134 119.950 -0.055 0.000 2.987 265 F HA 0.216 4.743 4.527 0.000 0.000 0.302 265 F C 0.427 176.178 175.800 -0.082 0.000 1.221 265 F CA -0.709 57.255 58.000 -0.060 0.000 1.307 265 F CB -0.957 38.090 39.000 0.079 0.000 1.108 265 F HN -0.083 nan 8.300 nan 0.000 0.521 266 D N 0.426 120.779 120.400 -0.079 0.000 2.739 266 D HA -0.319 4.322 4.640 0.000 0.000 0.230 266 D C 0.031 176.510 176.300 0.297 0.000 1.167 266 D CA 0.897 54.935 54.000 0.065 0.000 0.640 266 D CB -1.462 39.410 40.800 0.119 0.000 1.045 266 D HN 0.529 nan 8.370 nan 0.000 0.421 267 F N -3.066 117.017 119.950 0.222 0.000 3.074 267 F HA -0.341 4.186 4.527 0.000 0.000 0.287 267 F C 2.321 178.252 175.800 0.218 0.000 0.932 267 F CA 0.467 58.629 58.000 0.270 0.000 0.995 267 F CB -2.755 36.351 39.000 0.177 0.000 0.966 267 F HN 0.439 nan 8.300 nan 0.000 0.721 268 C N -2.568 116.879 119.300 0.245 0.000 2.432 268 C HA -0.086 4.374 4.460 0.000 0.000 0.282 268 C C 1.828 176.738 174.990 -0.133 0.000 1.388 268 C CA 0.826 59.824 59.018 -0.032 0.000 1.777 268 C CB -1.043 26.546 27.740 -0.252 0.000 1.882 268 C HN 0.559 nan 8.230 nan 0.000 0.520 269 Y N 2.102 122.431 120.300 0.049 0.000 2.584 269 Y HA 0.484 5.034 4.550 0.000 0.000 0.254 269 Y C 1.486 177.443 175.900 0.096 0.000 1.177 269 Y CA -0.027 58.013 58.100 -0.100 0.000 1.216 269 Y CB -0.372 37.755 38.460 -0.556 0.000 1.172 269 Y HN 0.660 nan 8.280 nan 0.000 0.529 270 G N 0.844 109.867 108.800 0.373 0.000 2.756 270 G HA2 -0.221 3.739 3.960 0.000 0.000 0.678 270 G HA3 -0.221 3.739 3.960 0.000 0.000 0.678 270 G C -0.793 174.392 174.900 0.475 0.000 1.349 270 G CA -1.008 44.302 45.100 0.350 0.000 0.847 270 G HN 0.145 nan 8.290 nan 0.000 0.548 271 K N -0.268 120.351 120.400 0.364 0.000 2.368 271 K HA 0.526 4.846 4.320 0.000 0.000 0.282 271 K C 0.741 177.506 176.600 0.275 0.000 1.035 271 K CA -0.373 56.144 56.287 0.383 0.000 0.973 271 K CB 0.454 33.109 32.500 0.259 0.000 0.957 271 K HN 0.531 nan 8.250 nan 0.000 0.474 272 L N 7.752 129.104 121.223 0.215 0.000 2.410 272 L HA 0.212 4.552 4.340 0.000 0.000 0.273 272 L C -1.923 174.940 176.870 -0.011 0.000 1.144 272 L CA -1.913 52.911 54.840 -0.027 0.000 0.863 272 L CB 0.787 42.642 42.059 -0.341 0.000 1.140 272 L HN 0.597 nan 8.230 nan 0.000 0.463 273 P HA 0.074 nan 4.420 nan 0.000 0.271 273 P C -1.489 175.834 177.300 0.039 0.000 1.233 273 P CA 0.364 63.524 63.100 0.100 0.000 0.764 273 P CB 0.156 31.935 31.700 0.132 0.000 0.825 274 Y N 2.128 122.576 120.300 0.246 0.000 2.393 274 Y HA 0.547 5.097 4.550 0.000 0.000 0.341 274 Y C 0.898 176.903 175.900 0.174 0.000 0.988 274 Y CA -0.955 57.277 58.100 0.221 0.000 1.078 274 Y CB 2.010 40.569 38.460 0.166 0.000 1.203 274 Y HN 0.163 nan 8.280 nan 0.000 0.453 275 R N 1.393 122.107 120.500 0.356 0.000 2.407 275 R HA 0.623 4.963 4.340 0.000 0.000 0.303 275 R C -0.592 175.865 176.300 0.263 0.000 0.981 275 R CA -0.197 56.048 56.100 0.242 0.000 0.905 275 R CB 1.496 31.877 30.300 0.136 0.000 1.099 275 R HN 0.681 nan 8.270 nan 0.000 0.459 276 S N 2.772 118.584 115.700 0.188 0.000 2.798 276 S HA 0.753 5.223 4.470 0.000 0.000 0.312 276 S C -1.266 173.495 174.600 0.268 0.000 1.122 276 S CA -0.741 57.585 58.200 0.211 0.000 0.949 276 S CB 0.667 63.889 63.200 0.036 0.000 1.235 276 S HN 0.437 nan 8.310 nan 0.000 0.552 277 L N 1.256 122.686 121.223 0.345 0.000 2.393 277 L HA 0.603 4.943 4.340 0.000 0.000 0.260 277 L C -0.688 176.114 176.870 -0.112 0.000 1.002 277 L CA -0.621 54.225 54.840 0.010 0.000 0.818 277 L CB 2.129 43.995 42.059 -0.322 0.000 1.369 277 L HN 0.676 nan 8.230 nan 0.000 0.412 278 E N 1.337 121.420 120.200 -0.195 0.000 2.199 278 E HA 0.543 4.893 4.350 0.000 0.000 0.269 278 E C -1.770 174.692 176.600 -0.231 0.000 0.899 278 E CA -0.576 55.742 56.400 -0.136 0.000 0.772 278 E CB 1.508 31.188 29.700 -0.033 0.000 1.155 278 E HN 0.324 nan 8.360 nan 0.000 0.408 279 F N 2.410 122.471 119.950 0.186 0.000 2.450 279 F HA 0.461 4.988 4.527 0.000 0.000 0.332 279 F C 0.522 176.375 175.800 0.088 0.000 1.093 279 F CA -0.908 57.166 58.000 0.122 0.000 1.003 279 F CB 1.524 40.544 39.000 0.033 0.000 1.151 279 F HN 0.283 nan 8.300 nan 0.000 0.474 280 R N 2.942 123.606 120.500 0.273 0.000 2.371 280 R HA 0.289 4.629 4.340 0.000 0.000 0.312 280 R C -1.116 175.273 176.300 0.149 0.000 0.980 280 R CA -0.540 55.692 56.100 0.219 0.000 0.867 280 R CB 0.324 30.793 30.300 0.281 0.000 1.163 280 R HN 0.715 nan 8.270 nan 0.000 0.492 281 H N 2.661 121.867 119.070 0.227 0.000 2.487 281 H HA 0.302 4.858 4.556 0.000 0.000 0.333 281 H C -0.395 175.015 175.328 0.136 0.000 1.114 281 H CA -0.069 56.089 56.048 0.183 0.000 1.310 281 H CB 1.695 31.525 29.762 0.114 0.000 1.462 281 H HN 0.564 nan 8.280 nan 0.000 0.516 282 E N 0.810 121.151 120.200 0.234 0.000 2.408 282 E HA 0.344 4.694 4.350 0.000 0.000 0.275 282 E C -0.975 175.624 176.600 -0.003 0.000 0.935 282 E CA -0.855 55.594 56.400 0.082 0.000 0.775 282 E CB 2.500 32.265 29.700 0.109 0.000 1.277 282 E HN 0.431 nan 8.360 nan 0.000 0.455 283 T N 1.205 115.654 114.554 -0.175 0.000 2.848 283 T HA 0.451 4.801 4.350 0.000 0.000 0.285 283 T C -1.258 173.251 174.700 -0.320 0.000 0.995 283 T CA -0.727 61.283 62.100 -0.150 0.000 0.970 283 T CB 0.738 69.555 68.868 -0.085 0.000 0.976 283 T HN 0.337 nan 8.240 nan 0.000 0.441 284 H N 0.654 119.730 119.070 0.008 0.000 2.572 284 H HA 0.394 4.950 4.556 0.000 0.000 0.359 284 H C -0.621 174.715 175.328 0.013 0.000 1.134 284 H CA -0.730 55.329 56.048 0.019 0.000 1.187 284 H CB 1.277 31.054 29.762 0.025 0.000 1.597 284 H HN 0.439 nan 8.280 nan 0.000 0.524 285 D N 1.856 122.340 120.400 0.140 0.000 2.551 285 D HA 0.157 4.797 4.640 0.000 0.000 0.223 285 D C -0.611 175.755 176.300 0.110 0.000 1.144 285 D CA 0.302 54.367 54.000 0.109 0.000 1.025 285 D CB -0.100 40.760 40.800 0.099 0.000 1.085 285 D HN 0.501 nan 8.370 nan 0.000 0.506 286 T N 0.294 114.910 114.554 0.102 0.000 2.830 286 T HA 0.175 4.525 4.350 0.000 0.000 0.322 286 T C 0.650 175.390 174.700 0.067 0.000 1.501 286 T CA -0.533 61.614 62.100 0.078 0.000 1.036 286 T CB 1.253 70.156 68.868 0.058 0.000 1.379 286 T HN 0.104 nan 8.240 nan 0.000 0.493 287 E N 0.430 120.663 120.200 0.055 0.000 2.072 287 E HA 0.052 4.403 4.350 0.000 0.000 0.190 287 E C 0.597 177.205 176.600 0.014 0.000 0.982 287 E CA 0.601 57.027 56.400 0.044 0.000 0.803 287 E CB 0.287 30.012 29.700 0.042 0.000 0.755 287 E HN 0.480 nan 8.360 nan 0.000 0.453 288 Q N 0.072 119.880 119.800 0.013 0.000 2.372 288 Q HA 0.261 4.601 4.340 0.000 0.000 0.273 288 Q C -0.457 175.554 176.000 0.019 0.000 1.078 288 Q CA -0.268 55.543 55.803 0.014 0.000 0.806 288 Q CB 1.929 30.676 28.738 0.016 0.000 1.332 288 Q HN 0.120 nan 8.270 nan 0.000 0.435 289 L N 3.150 124.386 121.223 0.022 0.000 2.653 289 L HA 0.434 4.774 4.340 0.000 0.000 0.230 289 L C -0.850 176.002 176.870 -0.030 0.000 1.055 289 L CA 0.590 55.405 54.840 -0.042 0.000 0.880 289 L CB 0.930 42.920 42.059 -0.115 0.000 1.195 289 L HN 0.567 nan 8.230 nan 0.000 0.492 290 L N 0.014 121.246 121.223 0.016 0.000 2.323 290 L HA 0.462 4.803 4.340 0.000 0.000 0.265 290 L C -1.598 175.257 176.870 -0.024 0.000 1.012 290 L CA -1.747 53.061 54.840 -0.053 0.000 0.820 290 L CB 1.286 43.243 42.059 -0.170 0.000 1.334 290 L HN -0.260 nan 8.230 nan 0.000 0.427 291 P HA -0.045 nan 4.420 nan 0.000 0.219 291 P C 0.348 177.557 177.300 -0.152 0.000 1.150 291 P CA 1.050 64.112 63.100 -0.064 0.000 0.814 291 P CB 0.128 31.782 31.700 -0.077 0.000 0.787 292 T N -5.853 108.478 114.554 -0.372 0.000 2.669 292 T HA 0.578 4.928 4.350 0.000 0.000 0.283 292 T C 1.433 175.641 174.700 -0.820 0.000 1.019 292 T CA -0.078 61.700 62.100 -0.537 0.000 1.039 292 T CB 0.853 69.528 68.868 -0.321 0.000 1.374 292 T HN -0.073 nan 8.240 nan 0.000 0.523 293 G N -0.043 108.449 108.800 -0.514 0.000 2.408 293 G HA2 0.283 4.243 3.960 0.000 0.000 0.217 293 G HA3 0.283 4.243 3.960 0.000 0.000 0.217 293 G C 0.351 175.141 174.900 -0.184 0.000 1.150 293 G CA 0.731 45.695 45.100 -0.227 0.000 0.776 293 G HN 0.855 nan 8.290 nan 0.000 0.542 294 T N -0.437 113.973 114.554 -0.240 0.000 2.886 294 T HA 0.510 4.860 4.350 0.000 0.000 0.292 294 T C -1.136 173.392 174.700 -0.287 0.000 1.012 294 T CA -0.404 61.562 62.100 -0.223 0.000 0.982 294 T CB 2.788 71.588 68.868 -0.112 0.000 1.018 294 T HN -0.108 nan 8.240 nan 0.000 0.451 295 V N 4.110 123.858 119.914 -0.276 0.000 2.350 295 V HA 0.383 4.503 4.120 0.000 0.000 0.285 295 V C -0.149 175.727 176.094 -0.364 0.000 1.014 295 V CA -1.080 61.012 62.300 -0.347 0.000 0.831 295 V CB 1.209 32.798 31.823 -0.389 0.000 1.000 295 V HN 0.737 nan 8.190 nan 0.000 0.433 296 N N 3.141 121.666 118.700 -0.291 0.000 2.518 296 N HA 0.296 5.037 4.740 0.000 0.000 0.266 296 N C -0.888 174.491 175.510 -0.217 0.000 1.196 296 N CA 0.106 53.097 53.050 -0.098 0.000 0.947 296 N CB 0.512 38.961 38.487 -0.062 0.000 1.098 296 N HN 0.580 nan 8.380 nan 0.000 0.450 297 Y N 1.957 122.392 120.300 0.225 0.000 2.919 297 Y HA 0.290 4.840 4.550 0.000 0.000 0.341 297 Y C -1.474 174.517 175.900 0.152 0.000 1.045 297 Y CA -1.673 56.531 58.100 0.172 0.000 1.218 297 Y CB 1.603 40.195 38.460 0.220 0.000 1.137 297 Y HN 0.570 nan 8.280 nan 0.000 0.577 298 P HA -0.070 nan 4.420 nan 0.000 0.221 298 P C 0.284 177.627 177.300 0.072 0.000 1.150 298 P CA 1.427 64.654 63.100 0.212 0.000 0.800 298 P CB 0.474 32.189 31.700 0.025 0.000 0.787 299 N N -1.417 117.306 118.700 0.037 0.000 2.184 299 N HA 0.122 4.862 4.740 0.000 0.000 0.234 299 N C -0.500 174.969 175.510 -0.069 0.000 1.282 299 N CA 0.166 53.196 53.050 -0.033 0.000 0.877 299 N CB 1.115 39.558 38.487 -0.073 0.000 1.184 299 N HN 0.183 nan 8.380 nan 0.000 0.510 300 D N 0.220 120.591 120.400 -0.048 0.000 2.645 300 D HA 0.343 4.983 4.640 0.000 0.000 0.228 300 D C -0.563 175.559 176.300 -0.298 0.000 1.148 300 D CA -0.184 53.665 54.000 -0.253 0.000 0.860 300 D CB 2.130 42.762 40.800 -0.279 0.000 1.548 300 D HN -0.171 nan 8.370 nan 0.000 0.460 301 Y N -0.562 119.503 120.300 -0.390 0.000 2.503 301 Y HA -0.278 4.272 4.550 0.000 0.000 0.022 301 Y C 1.042 176.625 175.900 -0.528 0.000 1.698 301 Y CA 0.195 57.906 58.100 -0.649 0.000 1.422 301 Y CB -1.014 36.591 38.460 -1.424 0.000 2.067 301 Y HN 0.529 nan 8.280 nan 0.000 0.253 302 A N 0.258 122.879 122.820 -0.332 0.000 2.021 302 A HA 0.116 4.436 4.320 0.000 0.000 0.216 302 A C 0.263 177.688 177.584 -0.264 0.000 1.163 302 A CA 1.082 53.021 52.037 -0.162 0.000 0.676 302 A CB -0.622 18.427 19.000 0.081 0.000 0.818 302 A HN 0.648 nan 8.150 nan 0.000 0.453 303 Y N -0.745 119.335 120.300 -0.366 0.000 2.397 303 Y HA 0.412 4.962 4.550 0.000 0.000 0.335 303 Y C 1.505 177.267 175.900 -0.229 0.000 1.213 303 Y CA -0.246 57.509 58.100 -0.575 0.000 1.391 303 Y CB -0.257 37.766 38.460 -0.728 0.000 1.293 303 Y HN 0.065 nan 8.280 nan 0.000 0.557 304 T N -0.526 114.007 114.554 -0.034 0.000 3.014 304 T HA 0.169 4.519 4.350 0.000 0.000 0.263 304 T C 0.283 175.109 174.700 0.210 0.000 1.078 304 T CA 0.548 62.603 62.100 -0.075 0.000 1.135 304 T CB -0.199 68.449 68.868 -0.367 0.000 0.895 304 T HN 0.880 nan 8.240 nan 0.000 0.480 305 R N -0.821 119.818 120.500 0.232 0.000 2.728 305 R HA 0.631 4.971 4.340 0.000 0.000 0.274 305 R C -2.383 173.895 176.300 -0.038 0.000 1.032 305 R CA -1.063 55.155 56.100 0.197 0.000 0.866 305 R CB 1.205 31.568 30.300 0.106 0.000 1.263 305 R HN 0.017 nan 8.270 nan 0.000 0.475 306 V N 0.731 120.544 119.914 -0.170 0.000 2.680 306 V HA 0.663 4.783 4.120 0.000 0.000 0.309 306 V C -0.435 175.428 176.094 -0.386 0.000 1.052 306 V CA -0.739 61.253 62.300 -0.512 0.000 0.908 306 V CB 2.004 33.420 31.823 -0.679 0.000 1.001 306 V HN 0.862 nan 8.190 nan 0.000 0.431 307 S N 2.106 117.531 115.700 -0.459 0.000 2.570 307 S HA 0.630 5.100 4.470 0.000 0.000 0.286 307 S C -0.876 173.398 174.600 -0.544 0.000 1.099 307 S CA -0.734 57.203 58.200 -0.438 0.000 0.913 307 S CB 2.224 65.156 63.200 -0.447 0.000 1.085 307 S HN 0.855 nan 8.310 nan 0.000 0.480 308 E N 1.074 121.022 120.200 -0.419 0.000 2.235 308 E HA 0.351 4.701 4.350 0.000 0.000 0.252 308 E C -0.427 176.046 176.600 -0.212 0.000 0.886 308 E CA -0.407 55.833 56.400 -0.266 0.000 0.767 308 E CB 0.457 30.164 29.700 0.010 0.000 1.205 308 E HN 0.574 nan 8.360 nan 0.000 0.421 309 F N 3.228 123.135 119.950 -0.071 0.000 2.095 309 F HA -0.196 4.331 4.527 0.000 0.000 0.298 309 F C 2.126 177.850 175.800 -0.127 0.000 1.104 309 F CA 1.139 59.044 58.000 -0.158 0.000 1.232 309 F CB -0.068 38.781 39.000 -0.253 0.000 0.987 309 F HN 0.463 nan 8.300 nan 0.000 0.475 310 K N -0.440 119.988 120.400 0.047 0.000 2.107 310 K HA -0.263 4.057 4.320 0.000 0.000 0.211 310 K C 1.816 178.362 176.600 -0.090 0.000 1.049 310 K CA 1.825 58.086 56.287 -0.044 0.000 0.927 310 K CB -0.537 31.912 32.500 -0.085 0.000 0.714 310 K HN 0.412 nan 8.250 nan 0.000 0.452 311 H N -0.063 118.976 119.070 -0.051 0.000 2.422 311 H HA -0.101 4.455 4.556 0.000 0.000 0.298 311 H C 2.085 177.275 175.328 -0.231 0.000 1.098 311 H CA 1.442 57.466 56.048 -0.040 0.000 1.315 311 H CB 0.010 29.791 29.762 0.030 0.000 1.382 311 H HN 0.239 nan 8.280 nan 0.000 0.523 312 I N 0.137 120.609 120.570 -0.163 0.000 2.867 312 I HA -0.126 4.045 4.170 0.000 0.000 0.265 312 I C 2.423 178.318 176.117 -0.371 0.000 1.162 312 I CA 1.176 62.185 61.300 -0.484 0.000 1.471 312 I CB 0.127 38.065 38.000 -0.104 0.000 1.123 312 I HN 0.231 nan 8.210 nan 0.000 0.440 313 T N -2.737 111.725 114.554 -0.154 0.000 3.040 313 T HA 0.245 4.595 4.350 0.000 0.000 0.252 313 T C 1.683 176.335 174.700 -0.081 0.000 1.064 313 T CA 0.630 62.675 62.100 -0.092 0.000 1.110 313 T CB 0.491 69.323 68.868 -0.061 0.000 0.921 313 T HN 0.415 nan 8.240 nan 0.000 0.480 314 G N 1.258 110.010 108.800 -0.079 0.000 2.157 314 G HA2 -0.282 3.678 3.960 0.000 0.000 0.248 314 G HA3 -0.282 3.678 3.960 0.000 0.000 0.248 314 G C -0.099 174.794 174.900 -0.013 0.000 0.979 314 G CA 0.224 45.300 45.100 -0.040 0.000 0.650 314 G HN 0.909 nan 8.290 nan 0.000 0.529 315 Q N 0.309 120.106 119.800 -0.006 0.000 2.337 315 Q HA 0.369 4.709 4.340 0.000 0.000 0.270 315 Q C 0.654 176.687 176.000 0.054 0.000 1.002 315 Q CA -0.279 55.550 55.803 0.043 0.000 0.888 315 Q CB 0.397 29.174 28.738 0.063 0.000 1.222 315 Q HN 0.543 nan 8.270 nan 0.000 0.400 316 R N 2.950 123.499 120.500 0.081 0.000 2.428 316 R HA 0.311 4.651 4.340 0.000 0.000 0.294 316 R C -1.322 175.076 176.300 0.164 0.000 1.000 316 R CA -0.339 55.813 56.100 0.087 0.000 0.960 316 R CB 0.904 31.238 30.300 0.057 0.000 1.076 316 R HN 0.764 nan 8.270 nan 0.000 0.475 317 H N 2.583 121.678 119.070 0.043 0.000 3.114 317 H HA 0.034 4.590 4.556 0.000 0.000 0.325 317 H C -0.008 175.348 175.328 0.046 0.000 1.206 317 H CA -0.477 55.603 56.048 0.054 0.000 1.316 317 H CB 0.963 30.717 29.762 -0.013 0.000 1.981 317 H HN 0.955 nan 8.280 nan 0.000 0.527 318 H N 1.680 120.794 119.070 0.073 0.000 2.546 318 H HA 0.140 4.696 4.556 0.000 0.000 0.277 318 H C -0.277 175.183 175.328 0.221 0.000 1.004 318 H CA 0.285 56.399 56.048 0.109 0.000 1.231 318 H CB 0.867 30.637 29.762 0.014 0.000 1.382 318 H HN 0.419 nan 8.280 nan 0.000 0.580 319 Q N -0.059 119.807 119.800 0.110 0.000 2.552 319 Q HA 0.517 4.857 4.340 0.000 0.000 0.289 319 Q C -0.855 175.096 176.000 -0.082 0.000 1.097 319 Q CA -0.896 54.899 55.803 -0.014 0.000 0.812 319 Q CB 2.748 31.407 28.738 -0.131 0.000 1.460 319 Q HN 0.104 nan 8.270 nan 0.000 0.452 320 T N -0.163 114.355 114.554 -0.060 0.000 2.912 320 T HA 0.522 4.872 4.350 0.000 0.000 0.299 320 T C -1.313 173.384 174.700 -0.006 0.000 1.052 320 T CA -0.348 61.722 62.100 -0.050 0.000 0.996 320 T CB 1.519 70.394 68.868 0.011 0.000 1.070 320 T HN 0.423 nan 8.240 nan 0.000 0.465 321 S N 1.769 117.470 115.700 0.002 0.000 2.503 321 S HA 0.811 5.281 4.470 0.000 0.000 0.301 321 S C -0.441 174.245 174.600 0.142 0.000 1.087 321 S CA -0.651 57.601 58.200 0.088 0.000 1.042 321 S CB 1.396 64.638 63.200 0.071 0.000 1.043 321 S HN 0.842 nan 8.310 nan 0.000 0.489 322 V N 0.701 120.692 119.914 0.128 0.000 3.102 322 V HA 0.941 5.061 4.120 0.000 0.000 0.312 322 V C -0.857 175.214 176.094 -0.038 0.000 1.135 322 V CA -0.752 61.504 62.300 -0.073 0.000 1.022 322 V CB 1.785 33.510 31.823 -0.163 0.000 1.056 322 V HN 0.587 nan 8.190 nan 0.000 0.436 323 V N 3.095 122.838 119.914 -0.285 0.000 2.588 323 V HA 0.657 4.777 4.120 0.000 0.000 0.304 323 V C -1.500 174.388 176.094 -0.345 0.000 1.042 323 V CA -0.440 61.731 62.300 -0.214 0.000 0.877 323 V CB 1.806 33.557 31.823 -0.120 0.000 0.996 323 V HN 0.888 nan 8.190 nan 0.000 0.425 324 Y N 4.168 124.394 120.300 -0.124 0.000 2.328 324 Y HA 0.530 5.080 4.550 0.000 0.000 0.337 324 Y C 0.566 176.455 175.900 -0.019 0.000 1.008 324 Y CA -0.444 57.538 58.100 -0.198 0.000 1.129 324 Y CB 1.361 39.620 38.460 -0.336 0.000 1.185 324 Y HN 0.573 nan 8.280 nan 0.000 0.476 325 E N 3.483 123.708 120.200 0.041 0.000 2.109 325 E HA 0.252 4.602 4.350 0.000 0.000 0.278 325 E C -1.594 174.960 176.600 -0.077 0.000 0.954 325 E CA -0.693 55.737 56.400 0.051 0.000 0.779 325 E CB 0.921 30.671 29.700 0.084 0.000 1.093 325 E HN 0.498 nan 8.360 nan 0.000 0.401 326 Y N 3.034 123.312 120.300 -0.036 0.000 2.342 326 Y HA 0.262 4.813 4.550 0.000 0.000 0.338 326 Y C -2.169 173.681 175.900 -0.084 0.000 0.965 326 Y CA -3.120 54.967 58.100 -0.022 0.000 1.159 326 Y CB 0.973 39.433 38.460 -0.001 0.000 1.157 326 Y HN 0.402 nan 8.280 nan 0.000 0.486 327 P HA 0.126 nan 4.420 nan 0.000 0.267 327 P C -0.280 177.037 177.300 0.029 0.000 1.205 327 P CA 0.005 63.091 63.100 -0.024 0.000 0.765 327 P CB 0.711 32.350 31.700 -0.102 0.000 0.828 328 R N 2.148 122.671 120.500 0.039 0.000 2.803 328 R HA 0.598 4.938 4.340 0.000 0.000 0.276 328 R C 1.002 177.336 176.300 0.058 0.000 0.978 328 R CA -0.942 55.187 56.100 0.049 0.000 0.939 328 R CB 1.578 31.907 30.300 0.048 0.000 1.179 328 R HN 0.373 nan 8.270 nan 0.000 0.472 329 A N 1.555 124.408 122.820 0.055 0.000 1.854 329 A HA -0.020 4.300 4.320 0.000 0.000 0.214 329 A C 0.213 177.841 177.584 0.074 0.000 1.192 329 A CA 1.242 53.320 52.037 0.068 0.000 0.611 329 A CB 0.019 19.054 19.000 0.058 0.000 0.832 329 A HN 0.644 nan 8.150 nan 0.000 0.442 330 E N -3.018 117.215 120.200 0.055 0.000 2.281 330 E HA 0.591 4.941 4.350 0.000 0.000 0.257 330 E C 0.022 176.638 176.600 0.028 0.000 0.971 330 E CA 0.251 56.679 56.400 0.047 0.000 0.839 330 E CB 1.744 31.465 29.700 0.036 0.000 1.238 330 E HN 0.812 nan 8.360 nan 0.000 0.412 331 G N 0.530 109.332 108.800 0.004 0.000 2.354 331 G HA2 -0.039 3.921 3.960 0.000 0.000 0.582 331 G HA3 -0.039 3.921 3.960 0.000 0.000 0.582 331 G C -1.485 173.340 174.900 -0.126 0.000 1.316 331 G CA -1.044 44.042 45.100 -0.024 0.000 0.995 331 G HN 0.458 nan 8.290 nan 0.000 0.573 332 D N 1.739 122.018 120.400 -0.202 0.000 2.548 332 D HA 0.282 4.922 4.640 0.000 0.000 0.231 332 D C -1.729 174.144 176.300 -0.712 0.000 1.142 332 D CA 0.321 54.088 54.000 -0.388 0.000 0.866 332 D CB 0.654 41.242 40.800 -0.354 0.000 1.190 332 D HN 0.302 nan 8.370 nan 0.000 0.469 333 P HA 0.071 nan 4.420 nan 0.000 0.276 333 P C -0.429 176.589 177.300 -0.470 0.000 1.235 333 P CA 0.191 63.000 63.100 -0.484 0.000 0.772 333 P CB 0.483 31.711 31.700 -0.788 0.000 0.871 334 Y N 1.038 121.316 120.300 -0.037 0.000 2.723 334 Y HA 0.205 4.755 4.550 0.000 0.000 0.272 334 Y C 0.422 176.111 175.900 -0.352 0.000 1.142 334 Y CA -0.217 57.761 58.100 -0.202 0.000 1.217 334 Y CB 0.511 38.834 38.460 -0.229 0.000 1.391 334 Y HN 0.184 nan 8.280 nan 0.000 0.479 335 Y N 1.562 121.965 120.300 0.172 0.000 2.331 335 Y HA 0.407 4.957 4.550 0.000 0.000 0.334 335 Y C -2.578 173.403 175.900 0.135 0.000 0.960 335 Y CA -3.131 54.966 58.100 -0.005 0.000 1.130 335 Y CB 1.059 39.370 38.460 -0.247 0.000 1.164 335 Y HN -0.166 nan 8.280 nan 0.000 0.458 336 P HA 0.010 nan 4.420 nan 0.000 0.269 336 P C -0.580 176.739 177.300 0.032 0.000 1.217 336 P CA -0.131 62.813 63.100 -0.261 0.000 0.783 336 P CB 0.761 31.966 31.700 -0.826 0.000 0.898 337 V N 3.436 123.360 119.914 0.017 0.000 2.204 337 V HA 0.190 4.310 4.120 0.000 0.000 0.264 337 V C -2.141 173.935 176.094 -0.030 0.000 1.106 337 V CA -1.737 60.647 62.300 0.140 0.000 0.947 337 V CB 0.354 32.307 31.823 0.217 0.000 1.164 337 V HN 0.509 nan 8.190 nan 0.000 0.461 338 P HA 0.084 nan 4.420 nan 0.000 0.256 338 P C -0.129 177.113 177.300 -0.096 0.000 1.189 338 P CA 0.612 63.654 63.100 -0.097 0.000 0.808 338 P CB -0.026 31.623 31.700 -0.085 0.000 0.793 339 R N 2.788 123.277 120.500 -0.018 0.000 2.687 339 R HA 0.371 4.711 4.340 0.000 0.000 0.265 339 R C -2.901 173.415 176.300 0.026 0.000 1.048 339 R CA -1.860 54.231 56.100 -0.015 0.000 0.884 339 R CB 0.078 30.365 30.300 -0.023 0.000 1.258 339 R HN -0.087 nan 8.270 nan 0.000 0.469 340 P HA -0.252 nan 4.420 nan 0.000 0.216 340 P C 0.389 177.709 177.300 0.033 0.000 1.154 340 P CA 1.882 64.995 63.100 0.023 0.000 0.865 340 P CB 0.149 31.854 31.700 0.007 0.000 0.789 341 E N -0.999 119.220 120.200 0.031 0.000 2.153 341 E HA -0.164 4.187 4.350 0.000 0.000 0.194 341 E C 1.538 178.167 176.600 0.049 0.000 0.988 341 E CA 0.957 57.376 56.400 0.031 0.000 0.811 341 E CB -0.784 28.934 29.700 0.030 0.000 0.746 341 E HN 0.302 nan 8.360 nan 0.000 0.466 342 N N 1.155 119.903 118.700 0.081 0.000 2.333 342 N HA 0.017 4.757 4.740 0.000 0.000 0.178 342 N C 1.758 177.372 175.510 0.173 0.000 1.018 342 N CA 1.131 54.256 53.050 0.125 0.000 0.882 342 N CB -0.280 38.325 38.487 0.197 0.000 0.984 342 N HN 0.219 nan 8.380 nan 0.000 0.434 343 A N 0.852 123.767 122.820 0.160 0.000 2.024 343 A HA -0.170 4.150 4.320 0.000 0.000 0.220 343 A C 2.146 179.820 177.584 0.149 0.000 1.164 343 A CA 1.497 53.642 52.037 0.181 0.000 0.643 343 A CB -0.320 18.748 19.000 0.113 0.000 0.806 343 A HN 0.345 nan 8.150 nan 0.000 0.451 344 E N -0.785 119.458 120.200 0.072 0.000 2.065 344 E HA 0.065 4.415 4.350 0.000 0.000 0.191 344 E C 1.908 178.479 176.600 -0.048 0.000 0.960 344 E CA 0.302 56.702 56.400 -0.000 0.000 0.824 344 E CB -0.197 29.488 29.700 -0.025 0.000 0.793 344 E HN 0.489 nan 8.360 nan 0.000 0.459 345 L N 0.742 121.947 121.223 -0.030 0.000 2.085 345 L HA -0.295 4.045 4.340 0.000 0.000 0.218 345 L C 2.455 179.325 176.870 -0.000 0.000 1.080 345 L CA 1.941 56.752 54.840 -0.049 0.000 0.776 345 L CB -0.325 41.751 42.059 0.028 0.000 0.891 345 L HN 0.373 nan 8.230 nan 0.000 0.437 346 Y N 0.382 120.645 120.300 -0.062 0.000 2.314 346 Y HA -0.184 4.366 4.550 0.000 0.000 0.293 346 Y C 2.408 178.317 175.900 0.016 0.000 1.129 346 Y CA 1.427 59.512 58.100 -0.025 0.000 1.201 346 Y CB -0.158 38.220 38.460 -0.137 0.000 0.999 346 Y HN 0.063 nan 8.280 nan 0.000 0.541 347 K N 0.362 120.606 120.400 -0.260 0.000 2.209 347 K HA -0.159 4.161 4.320 0.000 0.000 0.204 347 K C 2.000 178.389 176.600 -0.352 0.000 1.048 347 K CA 1.483 57.565 56.287 -0.342 0.000 0.940 347 K CB -0.048 32.362 32.500 -0.150 0.000 0.729 347 K HN 0.339 nan 8.250 nan 0.000 0.451 348 K N -0.114 120.056 120.400 -0.384 0.000 2.025 348 K HA -0.136 4.184 4.320 0.000 0.000 0.207 348 K C 2.016 178.422 176.600 -0.325 0.000 1.049 348 K CA 1.480 57.447 56.287 -0.532 0.000 0.933 348 K CB -0.178 31.661 32.500 -1.101 0.000 0.714 348 K HN 0.197 nan 8.250 nan 0.000 0.438 349 Y N 1.336 121.530 120.300 -0.177 0.000 2.242 349 Y HA -0.187 4.363 4.550 0.000 0.000 0.291 349 Y C 2.464 178.199 175.900 -0.276 0.000 1.137 349 Y CA 1.137 59.191 58.100 -0.077 0.000 1.181 349 Y CB 0.042 38.543 38.460 0.069 0.000 0.989 349 Y HN 0.211 nan 8.280 nan 0.000 0.527 350 E N 0.341 120.322 120.200 -0.366 0.000 2.268 350 E HA -0.192 4.158 4.350 0.000 0.000 0.195 350 E C 2.152 178.617 176.600 -0.226 0.000 0.995 350 E CA 0.684 56.842 56.400 -0.403 0.000 0.836 350 E CB -0.055 29.256 29.700 -0.649 0.000 0.763 350 E HN 0.468 nan 8.360 nan 0.000 0.491 351 A N 1.253 123.948 122.820 -0.210 0.000 1.841 351 A HA -0.135 4.185 4.320 0.000 0.000 0.214 351 A C 2.172 179.670 177.584 -0.144 0.000 1.195 351 A CA 1.148 53.097 52.037 -0.147 0.000 0.611 351 A CB -0.704 18.211 19.000 -0.141 0.000 0.835 351 A HN 0.305 nan 8.150 nan 0.000 0.443 352 L N -0.711 120.364 121.223 -0.246 0.000 2.127 352 L HA -0.188 4.152 4.340 0.000 0.000 0.211 352 L C 2.969 179.738 176.870 -0.169 0.000 1.089 352 L CA 1.103 55.704 54.840 -0.398 0.000 0.757 352 L CB -0.909 40.502 42.059 -1.081 0.000 0.899 352 L HN 0.445 nan 8.230 nan 0.000 0.434 353 A N 0.554 123.313 122.820 -0.102 0.000 1.855 353 A HA -0.186 4.134 4.320 0.000 0.000 0.215 353 A C 1.939 179.600 177.584 0.129 0.000 1.191 353 A CA 1.761 53.792 52.037 -0.011 0.000 0.613 353 A CB -0.478 18.198 19.000 -0.540 0.000 0.829 353 A HN 0.364 nan 8.150 nan 0.000 0.442 354 D N 0.513 120.940 120.400 0.046 0.000 2.178 354 D HA -0.037 4.603 4.640 0.000 0.000 0.201 354 D C 2.089 178.454 176.300 0.108 0.000 0.980 354 D CA 1.318 55.373 54.000 0.093 0.000 0.842 354 D CB -0.540 40.284 40.800 0.041 0.000 0.948 354 D HN 0.438 nan 8.370 nan 0.000 0.472 355 A N 1.869 124.735 122.820 0.076 0.000 1.830 355 A HA 0.119 4.439 4.320 0.000 0.000 0.214 355 A C 1.438 179.105 177.584 0.138 0.000 1.218 355 A CA 1.202 53.284 52.037 0.075 0.000 0.628 355 A CB -1.191 17.823 19.000 0.023 0.000 0.860 355 A HN 0.263 nan 8.150 nan 0.000 0.454 356 A N -0.255 122.689 122.820 0.206 0.000 2.584 356 A HA 0.341 4.661 4.320 0.000 0.000 0.239 356 A C 0.368 178.112 177.584 0.266 0.000 1.043 356 A CA 0.515 52.715 52.037 0.271 0.000 0.756 356 A CB -0.227 19.038 19.000 0.442 0.000 0.963 356 A HN 0.656 nan 8.150 nan 0.000 0.511 357 Q N 0.119 120.036 119.800 0.195 0.000 2.712 357 Q HA 0.379 4.719 4.340 0.000 0.000 0.267 357 Q C -0.492 175.589 176.000 0.135 0.000 1.062 357 Q CA -0.816 55.078 55.803 0.151 0.000 0.888 357 Q CB 0.973 29.756 28.738 0.076 0.000 1.374 357 Q HN 0.802 nan 8.270 nan 0.000 0.498 358 D N -0.670 119.738 120.400 0.013 0.000 2.911 358 D HA -0.145 4.496 4.640 0.000 0.000 0.227 358 D C -0.982 175.550 176.300 0.387 0.000 1.164 358 D CA 0.580 54.546 54.000 -0.057 0.000 0.782 358 D CB -1.181 39.629 40.800 0.017 0.000 1.094 358 D HN 0.122 nan 8.370 nan 0.000 0.425 359 V N 0.885 121.048 119.914 0.415 0.000 2.610 359 V HA 0.150 4.270 4.120 0.000 0.000 0.288 359 V C 0.200 176.381 176.094 0.145 0.000 1.055 359 V CA -0.575 61.866 62.300 0.235 0.000 0.902 359 V CB 2.158 34.030 31.823 0.081 0.000 1.030 359 V HN -0.005 nan 8.190 nan 0.000 0.448 360 T N 5.351 119.928 114.554 0.038 0.000 2.889 360 T HA 0.632 4.982 4.350 0.000 0.000 0.291 360 T C -0.542 174.049 174.700 -0.182 0.000 0.995 360 T CA 0.123 62.240 62.100 0.028 0.000 1.092 360 T CB 0.600 69.473 68.868 0.010 0.000 0.954 360 T HN 0.272 nan 8.240 nan 0.000 0.506 361 F N 2.051 122.029 119.950 0.047 0.000 2.458 361 F HA 0.671 5.198 4.527 0.000 0.000 0.336 361 F C 0.177 176.024 175.800 0.078 0.000 1.114 361 F CA -0.653 57.376 58.000 0.049 0.000 0.987 361 F CB 1.763 40.812 39.000 0.081 0.000 1.130 361 F HN 0.293 nan 8.300 nan 0.000 0.458 362 V N 2.675 122.720 119.914 0.218 0.000 3.023 362 V HA 0.917 5.037 4.120 0.000 0.000 0.294 362 V C -0.654 175.522 176.094 0.137 0.000 1.324 362 V CA 0.323 62.724 62.300 0.167 0.000 0.979 362 V CB 1.413 33.291 31.823 0.090 0.000 1.093 362 V HN 1.292 nan 8.190 nan 0.000 0.434 363 G N 4.716 113.622 108.800 0.177 0.000 2.381 363 G HA2 -0.022 3.938 3.960 0.000 0.000 0.672 363 G HA3 -0.022 3.938 3.960 0.000 0.000 0.672 363 G C 0.009 175.030 174.900 0.200 0.000 1.324 363 G CA 0.128 45.325 45.100 0.162 0.000 0.975 363 G HN 1.439 nan 8.290 nan 0.000 0.593 364 R N -0.607 119.999 120.500 0.177 0.000 2.189 364 R HA 0.138 4.478 4.340 0.000 0.000 0.223 364 R C 1.713 178.097 176.300 0.140 0.000 1.092 364 R CA 1.864 58.061 56.100 0.162 0.000 0.989 364 R CB -0.268 30.123 30.300 0.153 0.000 0.876 364 R HN 0.506 nan 8.270 nan 0.000 0.457 365 L N -1.521 119.779 121.223 0.129 0.000 2.609 365 L HA 0.314 4.654 4.340 0.000 0.000 0.230 365 L C 2.189 179.218 176.870 0.265 0.000 1.064 365 L CA 0.437 55.374 54.840 0.161 0.000 0.873 365 L CB 0.029 42.068 42.059 -0.033 0.000 1.139 365 L HN 0.117 nan 8.230 nan 0.000 0.490 366 A N 0.419 123.388 122.820 0.248 0.000 2.072 366 A HA -0.074 4.247 4.320 0.000 0.000 0.216 366 A C 2.065 179.875 177.584 0.376 0.000 1.156 366 A CA 1.740 54.016 52.037 0.399 0.000 0.701 366 A CB -0.463 18.807 19.000 0.451 0.000 0.816 366 A HN 0.430 nan 8.150 nan 0.000 0.458 367 T N -7.515 107.210 114.554 0.286 0.000 3.044 367 T HA 0.168 4.518 4.350 0.000 0.000 0.260 367 T C 0.375 175.040 174.700 -0.058 0.000 1.019 367 T CA 0.334 62.582 62.100 0.247 0.000 0.921 367 T CB -0.312 68.717 68.868 0.270 0.000 1.053 367 T HN 0.761 nan 8.240 nan 0.000 0.533 368 Y N 2.186 122.373 120.300 -0.189 0.000 3.477 368 Y HA -0.255 4.295 4.550 0.000 0.000 0.216 368 Y C -0.283 175.433 175.900 -0.306 0.000 1.296 368 Y CA -0.124 57.780 58.100 -0.326 0.000 1.535 368 Y CB -1.957 35.984 38.460 -0.865 0.000 1.482 368 Y HN 0.459 nan 8.280 nan 0.000 0.597 369 R N 0.187 120.522 120.500 -0.275 0.000 2.778 369 R HA 0.362 4.702 4.340 0.000 0.000 0.277 369 R C -0.646 175.491 176.300 -0.271 0.000 0.977 369 R CA -1.072 54.773 56.100 -0.426 0.000 0.950 369 R CB 0.896 30.706 30.300 -0.817 0.000 1.165 369 R HN 0.127 nan 8.270 nan 0.000 0.474 370 Y N 2.933 123.039 120.300 -0.323 0.000 2.724 370 Y HA 0.157 4.707 4.550 0.000 0.000 0.354 370 Y C -1.040 174.868 175.900 0.014 0.000 1.270 370 Y CA -0.989 57.077 58.100 -0.058 0.000 1.902 370 Y CB -0.593 37.899 38.460 0.053 0.000 1.981 370 Y HN 0.366 nan 8.280 nan 0.000 0.428 371 Y N 1.377 121.844 120.300 0.279 0.000 2.310 371 Y HA 0.240 4.791 4.550 0.000 0.000 0.326 371 Y C 0.777 176.758 175.900 0.134 0.000 1.151 371 Y CA -1.286 56.905 58.100 0.152 0.000 1.195 371 Y CB 0.565 39.081 38.460 0.095 0.000 1.210 371 Y HN 0.291 nan 8.280 nan 0.000 0.483 372 N N 2.716 121.559 118.700 0.240 0.000 2.424 372 N HA 0.116 4.856 4.740 0.000 0.000 0.257 372 N C 1.287 176.754 175.510 -0.072 0.000 1.250 372 N CA -0.093 52.984 53.050 0.046 0.000 0.946 372 N CB 0.607 39.011 38.487 -0.138 0.000 1.175 372 N HN 0.702 nan 8.380 nan 0.000 0.477 373 M N 0.355 119.864 119.600 -0.152 0.000 2.103 373 M HA -0.268 4.212 4.480 0.000 0.000 0.255 373 M C 1.502 177.570 176.300 -0.388 0.000 1.074 373 M CA 1.811 56.894 55.300 -0.362 0.000 1.090 373 M CB -0.447 31.941 32.600 -0.354 0.000 1.325 373 M HN 0.597 nan 8.290 nan 0.000 0.403 374 D N -0.060 120.131 120.400 -0.347 0.000 2.144 374 D HA -0.205 4.435 4.640 0.000 0.000 0.199 374 D C 1.661 177.847 176.300 -0.191 0.000 0.984 374 D CA 1.491 55.361 54.000 -0.216 0.000 0.834 374 D CB -0.607 39.942 40.800 -0.418 0.000 0.955 374 D HN 0.546 nan 8.370 nan 0.000 0.465 375 Q N 0.358 120.005 119.800 -0.254 0.000 2.079 375 Q HA -0.046 4.295 4.340 0.000 0.000 0.200 375 Q C 2.689 178.477 176.000 -0.353 0.000 0.974 375 Q CA 1.000 56.588 55.803 -0.359 0.000 0.840 375 Q CB 0.040 28.469 28.738 -0.515 0.000 0.898 375 Q HN 0.185 nan 8.270 nan 0.000 0.430 376 V N 0.501 120.297 119.914 -0.196 0.000 2.343 376 V HA -0.236 3.884 4.120 0.000 0.000 0.247 376 V C 2.235 178.315 176.094 -0.024 0.000 1.051 376 V CA 1.486 63.754 62.300 -0.054 0.000 1.036 376 V CB -0.463 31.404 31.823 0.073 0.000 0.654 376 V HN 0.198 nan 8.190 nan 0.000 0.451 377 V N 0.297 120.192 119.914 -0.031 0.000 2.490 377 V HA -0.248 3.872 4.120 0.000 0.000 0.250 377 V C 2.622 178.702 176.094 -0.024 0.000 1.061 377 V CA 1.967 64.295 62.300 0.047 0.000 1.064 377 V CB -1.106 30.799 31.823 0.136 0.000 0.670 377 V HN 0.567 nan 8.190 nan 0.000 0.461 378 A N -0.760 122.020 122.820 -0.066 0.000 1.897 378 A HA -0.237 4.084 4.320 0.000 0.000 0.215 378 A C 2.261 179.800 177.584 -0.075 0.000 1.181 378 A CA 1.697 53.686 52.037 -0.080 0.000 0.620 378 A CB -0.449 18.491 19.000 -0.101 0.000 0.821 378 A HN 0.571 nan 8.150 nan 0.000 0.443 379 Q N -0.361 119.380 119.800 -0.099 0.000 2.084 379 Q HA -0.127 4.213 4.340 0.000 0.000 0.202 379 Q C 2.171 178.174 176.000 0.005 0.000 0.978 379 Q CA 1.624 57.398 55.803 -0.048 0.000 0.844 379 Q CB -0.335 28.374 28.738 -0.048 0.000 0.898 379 Q HN 0.584 nan 8.270 nan 0.000 0.426 380 A N 0.899 123.722 122.820 0.004 0.000 1.858 380 A HA -0.159 4.161 4.320 0.000 0.000 0.216 380 A C 2.082 179.671 177.584 0.009 0.000 1.190 380 A CA 1.277 53.322 52.037 0.013 0.000 0.617 380 A CB -0.872 18.136 19.000 0.013 0.000 0.827 380 A HN 0.462 nan 8.150 nan 0.000 0.443 381 L N -0.700 120.495 121.223 -0.046 0.000 2.081 381 L HA -0.274 4.066 4.340 0.000 0.000 0.212 381 L C 3.080 179.984 176.870 0.057 0.000 1.080 381 L CA 1.185 55.999 54.840 -0.043 0.000 0.754 381 L CB -0.565 41.401 42.059 -0.155 0.000 0.893 381 L HN 0.483 nan 8.230 nan 0.000 0.433 382 A N -0.704 122.130 122.820 0.024 0.000 1.873 382 A HA -0.185 4.135 4.320 0.000 0.000 0.215 382 A C 2.343 179.953 177.584 0.043 0.000 1.186 382 A CA 2.220 54.274 52.037 0.028 0.000 0.616 382 A CB -0.877 18.134 19.000 0.018 0.000 0.823 382 A HN 0.354 nan 8.150 nan 0.000 0.442 383 T N -0.675 113.915 114.554 0.061 0.000 2.833 383 T HA -0.117 4.234 4.350 0.000 0.000 0.269 383 T C 1.530 176.277 174.700 0.078 0.000 1.054 383 T CA 1.530 63.671 62.100 0.068 0.000 1.135 383 T CB -0.371 68.539 68.868 0.069 0.000 0.869 383 T HN 0.517 nan 8.240 nan 0.000 0.466 384 F N 2.137 122.057 119.950 -0.051 0.000 2.186 384 F HA 0.035 4.562 4.527 0.000 0.000 0.299 384 F C 2.264 178.050 175.800 -0.024 0.000 1.090 384 F CA 0.997 58.959 58.000 -0.063 0.000 1.307 384 F CB -0.233 38.713 39.000 -0.091 0.000 1.019 384 F HN -0.083 nan 8.300 nan 0.000 0.489 385 R N 0.004 120.369 120.500 -0.225 0.000 2.096 385 R HA -0.118 4.222 4.340 0.000 0.000 0.235 385 R C 2.467 178.652 176.300 -0.192 0.000 1.127 385 R CA 1.483 57.415 56.100 -0.281 0.000 0.968 385 R CB -0.373 29.869 30.300 -0.096 0.000 0.861 385 R HN 0.267 nan 8.270 nan 0.000 0.440 386 R N 0.159 120.607 120.500 -0.086 0.000 2.081 386 R HA -0.102 4.238 4.340 0.000 0.000 0.235 386 R C 1.376 177.659 176.300 -0.028 0.000 1.131 386 R CA 1.040 57.123 56.100 -0.028 0.000 0.960 386 R CB -0.167 30.151 30.300 0.029 0.000 0.856 386 R HN 0.059 nan 8.270 nan 0.000 0.436 387 L N 1.208 122.406 121.223 -0.041 0.000 2.711 387 L HA -0.064 4.276 4.340 0.000 0.000 0.242 387 L C 1.369 178.207 176.870 -0.053 0.000 1.153 387 L CA 1.331 56.187 54.840 0.026 0.000 0.898 387 L CB -0.186 41.935 42.059 0.103 0.000 1.044 387 L HN 0.132 nan 8.230 nan 0.000 0.437 388 Q N -0.975 118.731 119.800 -0.157 0.000 2.246 388 Q HA 0.469 4.809 4.340 0.000 0.000 0.222 388 Q C 0.849 176.806 176.000 -0.072 0.000 0.851 388 Q CA 0.642 56.352 55.803 -0.155 0.000 0.945 388 Q CB 1.752 30.314 28.738 -0.294 0.000 1.122 388 Q HN 0.351 nan 8.270 nan 0.000 0.508 389 G N 0.000 108.771 108.800 -0.048 0.000 5.446 389 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 389 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 389 G CA 0.000 45.087 45.100 -0.021 0.000 0.502 389 G HN 0.000 nan 8.290 nan 0.000 0.925