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 2h21_1_B DATA FIRST_RESID 49 DATA SEQUENCE SLSPAVQTFW KWLQEEGVIT AKTPVKASVV TEGLGLVALK DISRNDVILQ DATA SEQUENCE VPKRLWINPD AVAASEIGRV CSELKPWLSV ILFLIRERSR EDSVWKHYFG DATA SEQUENCE ILPQETDSTI YWSEEELQEL QGSQLLKTTV SVKEYVKNEC LKLEQEIILP DATA SEQUENCE NKRLFPDPVT LDDFFWAFGI LRSRAFSRLR NENLVVVPMA DLINHSAGVT DATA SEQUENCE TEDHAYEVKG AAGLFSWDYL FSLKSPLSVK AGEQVYIQYD LNKSNAELAL DATA SEQUENCE DYGFIEPNEN RHAYTLTLEI SESDPFFDDK LDVAESNGFA QTAYFDIFYN DATA SEQUENCE RTLPPGLLPY LRLVALGGTD AFLLESLFRD TIWGHLELSV SRDNEELLCK DATA SEQUENCE AVREACKSAL AGYHTTIEQD RELKEGNLDS RLAIAVGIRE GEKMVLQQID DATA SEQUENCE GIFEQKELEL DQLEYYQERR LKDLGLCGEN GDILENLYFQ 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 49 S HA 0.000 nan 4.470 nan 0.000 0.327 49 S C 0.000 174.617 174.600 0.028 0.000 1.055 49 S CA 0.000 58.213 58.200 0.021 0.000 1.107 49 S CB 0.000 63.210 63.200 0.017 0.000 0.593 50 L N 2.254 123.490 121.223 0.022 0.000 1.948 50 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 50 L C 2.035 178.924 176.870 0.032 0.000 1.074 50 L CA 2.176 57.031 54.840 0.024 0.000 0.753 50 L CB -0.555 41.511 42.059 0.013 0.000 0.888 50 L HN 0.350 nan 8.230 nan 0.000 0.432 51 S N 0.502 116.213 115.700 0.019 0.000 2.400 51 S HA -0.148 4.322 4.470 -0.000 0.000 0.234 51 S C -0.760 173.864 174.600 0.041 0.000 1.049 51 S CA 2.001 60.212 58.200 0.018 0.000 1.039 51 S CB -1.427 61.776 63.200 0.006 0.000 0.856 51 S HN 0.577 nan 8.310 nan 0.000 0.465 52 P HA 0.152 nan 4.420 nan 0.000 0.219 52 P C 1.346 178.696 177.300 0.082 0.000 1.154 52 P CA 1.191 64.325 63.100 0.057 0.000 0.826 52 P CB -0.041 31.685 31.700 0.042 0.000 0.795 53 A N 0.393 123.263 122.820 0.083 0.000 1.877 53 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 53 A C 2.466 180.158 177.584 0.179 0.000 1.186 53 A CA 1.881 53.985 52.037 0.112 0.000 0.620 53 A CB -1.662 17.388 19.000 0.083 0.000 0.822 53 A HN 0.039 nan 8.150 nan 0.000 0.443 54 V N -0.017 119.993 119.914 0.161 0.000 2.307 54 V HA -0.300 3.820 4.120 -0.000 0.000 0.245 54 V C 2.720 179.015 176.094 0.336 0.000 1.045 54 V CA 2.210 64.657 62.300 0.245 0.000 1.024 54 V CB -0.887 31.008 31.823 0.120 0.000 0.651 54 V HN 0.767 nan 8.190 nan 0.000 0.449 55 Q N -0.205 119.716 119.800 0.202 0.000 2.112 55 Q HA -0.251 4.089 4.340 -0.000 0.000 0.206 55 Q C 2.222 178.372 176.000 0.250 0.000 0.987 55 Q CA 2.469 58.395 55.803 0.206 0.000 0.858 55 Q CB -0.224 28.581 28.738 0.111 0.000 0.905 55 Q HN 0.678 nan 8.270 nan 0.000 0.420 56 T N 0.633 115.300 114.554 0.189 0.000 2.674 56 T HA -0.168 4.182 4.350 -0.000 0.000 0.265 56 T C 1.284 176.102 174.700 0.198 0.000 1.039 56 T CA 1.356 63.509 62.100 0.088 0.000 1.150 56 T CB -0.548 68.314 68.868 -0.010 0.000 0.864 56 T HN 0.379 nan 8.240 nan 0.000 0.427 57 F N 0.662 120.747 119.950 0.226 0.000 2.065 57 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 57 F C 2.268 178.359 175.800 0.485 0.000 1.112 57 F CA 1.255 59.505 58.000 0.417 0.000 1.212 57 F CB -0.494 38.767 39.000 0.434 0.000 0.975 57 F HN 0.265 nan 8.300 nan 0.000 0.476 58 W N 1.357 122.779 121.300 0.204 0.000 2.358 58 W HA -0.253 4.406 4.660 -0.000 0.000 0.303 58 W C 2.556 179.076 176.519 0.001 0.000 1.208 58 W CA 1.935 59.310 57.345 0.050 0.000 1.274 58 W CB -0.465 29.066 29.460 0.119 0.000 1.138 58 W HN 0.103 nan 8.180 nan 0.000 0.515 59 K N -0.395 120.138 120.400 0.221 0.000 2.097 59 K HA -0.260 4.060 4.320 -0.000 0.000 0.206 59 K C 1.925 178.551 176.600 0.043 0.000 1.049 59 K CA 1.939 58.288 56.287 0.104 0.000 0.933 59 K CB -0.913 31.649 32.500 0.104 0.000 0.717 59 K HN 0.081 nan 8.250 nan 0.000 0.442 60 W N 1.581 122.816 121.300 -0.108 0.000 2.335 60 W HA -0.186 4.474 4.660 -0.000 0.000 0.311 60 W C 1.312 177.725 176.519 -0.178 0.000 1.213 60 W CA 1.417 58.707 57.345 -0.092 0.000 1.274 60 W CB -0.413 29.064 29.460 0.029 0.000 1.148 60 W HN 0.007 nan 8.180 nan 0.000 0.498 61 L N 0.403 121.288 121.223 -0.562 0.000 2.191 61 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 61 L C 2.568 179.089 176.870 -0.581 0.000 1.103 61 L CA 1.446 55.787 54.840 -0.833 0.000 0.769 61 L CB -0.870 40.660 42.059 -0.881 0.000 0.908 61 L HN 0.136 nan 8.230 nan 0.000 0.438 62 Q N -0.113 119.445 119.800 -0.404 0.000 2.049 62 Q HA -0.200 4.140 4.340 -0.000 0.000 0.198 62 Q C 2.133 178.000 176.000 -0.222 0.000 0.971 62 Q CA 1.429 57.075 55.803 -0.262 0.000 0.833 62 Q CB -0.005 28.649 28.738 -0.140 0.000 0.896 62 Q HN 0.466 nan 8.270 nan 0.000 0.434 63 E N 0.479 120.559 120.200 -0.199 0.000 2.070 63 E HA -0.207 4.143 4.350 -0.000 0.000 0.197 63 E C 1.816 178.286 176.600 -0.217 0.000 1.004 63 E CA 0.971 57.281 56.400 -0.149 0.000 0.805 63 E CB 0.044 29.704 29.700 -0.067 0.000 0.744 63 E HN 0.257 nan 8.360 nan 0.000 0.451 64 E N -0.668 119.293 120.200 -0.398 0.000 2.409 64 E HA -0.096 4.254 4.350 -0.000 0.000 0.198 64 E C 1.277 177.706 176.600 -0.285 0.000 1.024 64 E CA 0.866 57.021 56.400 -0.408 0.000 0.861 64 E CB 0.178 29.436 29.700 -0.738 0.000 0.788 64 E HN 0.460 nan 8.360 nan 0.000 0.521 65 G N 0.419 109.064 108.800 -0.258 0.000 2.143 65 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.249 65 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.249 65 G C 1.112 175.898 174.900 -0.190 0.000 0.981 65 G CA 0.479 45.471 45.100 -0.180 0.000 0.665 65 G HN 0.256 nan 8.290 nan 0.000 0.528 66 V N 0.200 119.948 119.914 -0.277 0.000 2.535 66 V HA 0.211 4.331 4.120 -0.000 0.000 0.246 66 V C 1.549 177.498 176.094 -0.242 0.000 1.045 66 V CA 1.052 63.201 62.300 -0.252 0.000 1.058 66 V CB -0.150 31.466 31.823 -0.344 0.000 0.689 66 V HN 0.406 nan 8.190 nan 0.000 0.461 67 I N 1.514 121.901 120.570 -0.305 0.000 2.392 67 I HA 0.491 4.661 4.170 -0.000 0.000 0.295 67 I C 0.308 176.333 176.117 -0.153 0.000 0.985 67 I CA 0.426 61.562 61.300 -0.273 0.000 1.221 67 I CB 1.100 38.824 38.000 -0.460 0.000 1.366 67 I HN 0.374 nan 8.210 nan 0.000 0.467 68 T N 1.355 115.862 114.554 -0.079 0.000 2.696 68 T HA 0.608 4.958 4.350 -0.000 0.000 0.291 68 T C 0.793 175.496 174.700 0.004 0.000 1.095 68 T CA -0.196 61.881 62.100 -0.037 0.000 1.026 68 T CB 1.576 70.425 68.868 -0.033 0.000 1.390 68 T HN 0.437 nan 8.240 nan 0.000 0.513 69 A N 0.137 122.964 122.820 0.012 0.000 2.067 69 A HA 0.049 4.369 4.320 -0.000 0.000 0.219 69 A C 2.097 179.700 177.584 0.031 0.000 1.158 69 A CA 0.875 52.929 52.037 0.028 0.000 0.661 69 A CB -0.755 18.258 19.000 0.021 0.000 0.801 69 A HN 0.692 nan 8.150 nan 0.000 0.452 70 K N 0.146 120.558 120.400 0.020 0.000 2.217 70 K HA -0.031 4.289 4.320 -0.000 0.000 0.202 70 K C 0.139 176.760 176.600 0.036 0.000 1.051 70 K CA 0.592 56.893 56.287 0.023 0.000 0.952 70 K CB -0.561 31.947 32.500 0.013 0.000 0.736 70 K HN 0.381 nan 8.250 nan 0.000 0.453 71 T N 4.566 119.143 114.554 0.040 0.000 2.758 71 T HA 0.018 4.368 4.350 -0.000 0.000 0.281 71 T C -1.551 173.206 174.700 0.096 0.000 0.963 71 T CA -0.736 61.402 62.100 0.064 0.000 1.201 71 T CB 0.871 69.776 68.868 0.061 0.000 0.906 71 T HN 0.141 nan 8.240 nan 0.000 0.528 72 P HA 0.212 nan 4.420 nan 0.000 0.253 72 P C 0.001 177.361 177.300 0.099 0.000 1.260 72 P CA 0.189 63.338 63.100 0.082 0.000 0.800 72 P CB 0.466 32.204 31.700 0.064 0.000 1.162 73 V N 0.317 120.321 119.914 0.151 0.000 2.925 73 V HA 0.502 4.622 4.120 -0.000 0.000 0.311 73 V C -0.701 175.557 176.094 0.274 0.000 1.104 73 V CA -0.871 61.530 62.300 0.169 0.000 0.954 73 V CB 3.050 34.973 31.823 0.167 0.000 1.022 73 V HN 0.086 nan 8.190 nan 0.000 0.427 74 K N 4.127 124.597 120.400 0.117 0.000 2.378 74 K HA 0.958 5.277 4.320 -0.000 0.000 0.244 74 K C -0.659 175.747 176.600 -0.323 0.000 1.039 74 K CA -0.653 55.558 56.287 -0.126 0.000 0.863 74 K CB 2.139 34.506 32.500 -0.222 0.000 1.326 74 K HN 0.821 nan 8.250 nan 0.000 0.460 75 A N 0.438 122.758 122.820 -0.833 0.000 2.316 75 A HA 0.558 4.878 4.320 -0.000 0.000 0.284 75 A C -0.547 176.867 177.584 -0.282 0.000 1.115 75 A CA -0.331 51.427 52.037 -0.465 0.000 0.812 75 A CB 0.702 19.387 19.000 -0.525 0.000 1.064 75 A HN 0.617 nan 8.150 nan 0.000 0.489 76 S N 0.596 116.210 115.700 -0.144 0.000 2.535 76 S HA 0.442 4.912 4.470 -0.000 0.000 0.272 76 S C -1.156 173.407 174.600 -0.061 0.000 1.149 76 S CA -0.518 57.619 58.200 -0.105 0.000 0.888 76 S CB 1.205 64.347 63.200 -0.097 0.000 1.110 76 S HN 0.940 nan 8.310 nan 0.000 0.463 77 V N 4.365 124.250 119.914 -0.047 0.000 2.470 77 V HA 0.413 4.533 4.120 -0.000 0.000 0.276 77 V C 0.106 176.187 176.094 -0.022 0.000 1.040 77 V CA 0.117 62.402 62.300 -0.025 0.000 1.008 77 V CB 0.674 32.486 31.823 -0.019 0.000 0.990 77 V HN 0.675 nan 8.190 nan 0.000 0.477 78 V N 4.030 123.936 119.914 -0.013 0.000 3.126 78 V HA 0.287 4.407 4.120 -0.000 0.000 0.314 78 V C 1.259 177.358 176.094 0.008 0.000 1.138 78 V CA -0.304 61.991 62.300 -0.008 0.000 1.034 78 V CB 2.109 33.918 31.823 -0.023 0.000 1.075 78 V HN 0.831 nan 8.190 nan 0.000 0.442 79 T N 1.324 115.887 114.554 0.014 0.000 2.737 79 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 79 T C 1.232 175.946 174.700 0.023 0.000 1.040 79 T CA 1.994 64.105 62.100 0.018 0.000 1.142 79 T CB -0.146 68.732 68.868 0.018 0.000 0.861 79 T HN 0.852 nan 8.240 nan 0.000 0.456 80 E N 1.000 121.216 120.200 0.026 0.000 2.445 80 E HA 0.348 4.698 4.350 -0.000 0.000 0.189 80 E C 1.313 177.944 176.600 0.052 0.000 1.069 80 E CA 0.474 56.892 56.400 0.030 0.000 0.871 80 E CB -0.054 29.653 29.700 0.012 0.000 0.991 80 E HN 0.528 nan 8.360 nan 0.000 0.481 81 G N 1.177 110.000 108.800 0.040 0.000 2.893 81 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.222 81 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.222 81 G C -0.692 174.224 174.900 0.026 0.000 1.345 81 G CA -0.332 44.793 45.100 0.041 0.000 1.129 81 G HN 0.165 nan 8.290 nan 0.000 0.560 82 L N 1.598 122.841 121.223 0.033 0.000 2.344 82 L HA 0.747 5.087 4.340 -0.000 0.000 0.272 82 L C 0.937 177.824 176.870 0.029 0.000 1.035 82 L CA 0.006 54.860 54.840 0.023 0.000 0.807 82 L CB 1.576 43.653 42.059 0.029 0.000 1.237 82 L HN 1.295 nan 8.230 nan 0.000 0.442 83 G N 1.457 110.262 108.800 0.008 0.000 2.600 83 G HA2 0.539 4.499 3.960 -0.000 0.000 0.293 83 G HA3 0.539 4.499 3.960 -0.000 0.000 0.293 83 G C -1.815 173.081 174.900 -0.007 0.000 1.408 83 G CA -0.744 44.351 45.100 -0.008 0.000 0.782 83 G HN 0.349 nan 8.290 nan 0.000 0.482 84 L N 0.473 121.687 121.223 -0.016 0.000 2.295 84 L HA 0.659 4.999 4.340 -0.000 0.000 0.285 84 L C -0.342 176.493 176.870 -0.058 0.000 1.035 84 L CA -1.002 53.849 54.840 0.019 0.000 0.806 84 L CB 1.737 43.854 42.059 0.097 0.000 1.214 84 L HN 0.192 nan 8.230 nan 0.000 0.426 85 V N 2.294 122.182 119.914 -0.043 0.000 2.555 85 V HA 0.534 4.654 4.120 -0.000 0.000 0.302 85 V C 0.318 176.403 176.094 -0.015 0.000 1.038 85 V CA -0.789 61.478 62.300 -0.055 0.000 0.887 85 V CB 1.931 33.714 31.823 -0.067 0.000 0.991 85 V HN 0.868 nan 8.190 nan 0.000 0.434 86 A N 4.555 127.368 122.820 -0.011 0.000 2.492 86 A HA 0.451 4.771 4.320 -0.000 0.000 0.254 86 A C 0.763 178.355 177.584 0.014 0.000 1.091 86 A CA 0.011 52.056 52.037 0.013 0.000 0.768 86 A CB 0.024 19.030 19.000 0.011 0.000 1.028 86 A HN 0.912 nan 8.150 nan 0.000 0.498 87 L N 1.202 122.443 121.223 0.031 0.000 2.509 87 L HA 0.136 4.476 4.340 -0.000 0.000 0.222 87 L C 0.868 177.753 176.870 0.026 0.000 1.123 87 L CA 0.767 55.624 54.840 0.029 0.000 0.856 87 L CB -0.370 41.718 42.059 0.048 0.000 0.985 87 L HN 0.897 nan 8.230 nan 0.000 0.456 88 K N -2.412 118.004 120.400 0.027 0.000 2.555 88 K HA 0.365 4.685 4.320 -0.000 0.000 0.279 88 K C -1.481 175.132 176.600 0.023 0.000 0.986 88 K CA -0.957 55.344 56.287 0.024 0.000 0.880 88 K CB 0.994 33.510 32.500 0.027 0.000 1.474 88 K HN -0.346 nan 8.250 nan 0.000 0.433 89 D N 1.059 121.471 120.400 0.020 0.000 2.493 89 D HA 0.133 4.773 4.640 -0.000 0.000 0.240 89 D C -0.487 175.827 176.300 0.024 0.000 1.142 89 D CA 0.531 54.543 54.000 0.020 0.000 0.872 89 D CB 0.251 41.061 40.800 0.017 0.000 1.173 89 D HN 0.398 nan 8.370 nan 0.000 0.467 90 I N 1.576 122.162 120.570 0.026 0.000 2.441 90 I HA 0.179 4.349 4.170 -0.000 0.000 0.295 90 I C 0.371 176.506 176.117 0.030 0.000 0.994 90 I CA -0.549 60.770 61.300 0.031 0.000 1.144 90 I CB 1.692 39.715 38.000 0.037 0.000 1.314 90 I HN 0.161 nan 8.210 nan 0.000 0.445 91 S N 4.410 120.128 115.700 0.030 0.000 2.672 91 S HA 0.410 4.880 4.470 -0.000 0.000 0.276 91 S C -0.030 174.589 174.600 0.032 0.000 1.207 91 S CA -0.674 57.542 58.200 0.026 0.000 1.002 91 S CB 1.150 64.363 63.200 0.021 0.000 0.998 91 S HN 0.541 nan 8.310 nan 0.000 0.542 92 R N 1.439 121.956 120.500 0.028 0.000 2.570 92 R HA 0.019 4.358 4.340 -0.000 0.000 0.277 92 R C 0.016 176.335 176.300 0.032 0.000 1.039 92 R CA 0.528 56.647 56.100 0.033 0.000 1.065 92 R CB -0.190 30.125 30.300 0.025 0.000 0.964 92 R HN 0.752 nan 8.270 nan 0.000 0.428 93 N N 1.284 120.010 118.700 0.044 0.000 2.965 93 N HA -0.220 4.520 4.740 -0.000 0.000 0.232 93 N C -1.136 174.405 175.510 0.053 0.000 0.913 93 N CA 1.464 54.540 53.050 0.043 0.000 0.981 93 N CB -1.032 37.465 38.487 0.015 0.000 1.077 93 N HN 0.725 nan 8.380 nan 0.000 0.589 94 D N 0.643 121.075 120.400 0.054 0.000 2.425 94 D HA 0.209 4.849 4.640 -0.000 0.000 0.247 94 D C 0.028 176.374 176.300 0.077 0.000 1.147 94 D CA 0.073 54.106 54.000 0.057 0.000 0.879 94 D CB 0.874 41.704 40.800 0.049 0.000 1.179 94 D HN -0.078 nan 8.370 nan 0.000 0.456 95 V N 5.764 125.729 119.914 0.084 0.000 2.470 95 V HA 0.028 4.148 4.120 -0.000 0.000 0.276 95 V C 1.503 177.639 176.094 0.070 0.000 1.040 95 V CA 0.121 62.476 62.300 0.092 0.000 1.008 95 V CB 0.878 32.761 31.823 0.101 0.000 0.990 95 V HN 0.597 nan 8.190 nan 0.000 0.477 96 I N 5.156 125.769 120.570 0.073 0.000 2.480 96 I HA 0.085 4.255 4.170 -0.000 0.000 0.251 96 I C 0.302 176.463 176.117 0.073 0.000 1.124 96 I CA 1.054 62.401 61.300 0.080 0.000 1.444 96 I CB 0.245 38.304 38.000 0.098 0.000 1.098 96 I HN 0.601 nan 8.210 nan 0.000 0.428 97 L N -2.092 119.164 121.223 0.056 0.000 2.794 97 L HA 0.521 4.861 4.340 -0.000 0.000 0.261 97 L C -1.572 175.309 176.870 0.018 0.000 0.989 97 L CA -0.732 54.130 54.840 0.038 0.000 0.900 97 L CB 1.680 43.776 42.059 0.061 0.000 1.473 97 L HN -0.119 nan 8.230 nan 0.000 0.414 98 Q N 0.974 120.781 119.800 0.012 0.000 2.274 98 Q HA 0.764 5.104 4.340 -0.000 0.000 0.268 98 Q C -1.561 174.487 176.000 0.081 0.000 1.015 98 Q CA -0.832 54.986 55.803 0.026 0.000 0.775 98 Q CB 3.184 31.914 28.738 -0.012 0.000 1.256 98 Q HN 0.569 nan 8.270 nan 0.000 0.442 99 V N 4.067 124.106 119.914 0.208 0.000 2.435 99 V HA 0.460 4.580 4.120 -0.000 0.000 0.290 99 V C -2.114 174.281 176.094 0.501 0.000 1.030 99 V CA -1.966 60.509 62.300 0.291 0.000 0.881 99 V CB 1.526 33.521 31.823 0.286 0.000 0.983 99 V HN 0.633 nan 8.190 nan 0.000 0.445 100 P HA 0.141 nan 4.420 nan 0.000 0.276 100 P C 0.360 177.248 177.300 -0.687 0.000 1.230 100 P CA -0.354 62.698 63.100 -0.080 0.000 0.776 100 P CB 1.202 32.872 31.700 -0.049 0.000 0.888 101 K N 3.497 123.142 120.400 -1.258 0.000 2.228 101 K HA -0.211 4.109 4.320 -0.000 0.000 0.205 101 K C 2.049 178.067 176.600 -0.971 0.000 1.045 101 K CA 1.165 56.170 56.287 -2.137 0.000 0.931 101 K CB -0.135 31.694 32.500 -1.119 0.000 0.727 101 K HN 0.292 nan 8.250 nan 0.000 0.458 102 R N 0.762 121.020 120.500 -0.403 0.000 2.170 102 R HA -0.138 4.202 4.340 -0.000 0.000 0.242 102 R C 1.263 177.632 176.300 0.117 0.000 1.145 102 R CA 1.350 57.403 56.100 -0.079 0.000 0.984 102 R CB -0.101 30.191 30.300 -0.014 0.000 0.869 102 R HN 0.297 nan 8.270 nan 0.000 0.455 103 L N -0.449 120.883 121.223 0.182 0.000 2.667 103 L HA 0.237 4.577 4.340 -0.000 0.000 0.232 103 L C 0.547 177.934 176.870 0.860 0.000 1.138 103 L CA -0.567 54.690 54.840 0.695 0.000 0.921 103 L CB -0.049 42.320 42.059 0.517 0.000 1.180 103 L HN 0.149 nan 8.230 nan 0.000 0.487 104 W N 0.648 122.066 121.300 0.197 0.000 1.924 104 W HA 0.383 5.043 4.660 -0.000 0.000 0.363 104 W C 0.041 176.406 176.519 -0.258 0.000 1.435 104 W CA -0.756 56.557 57.345 -0.052 0.000 1.497 104 W CB 0.922 30.370 29.460 -0.020 0.000 1.263 104 W HN -0.184 nan 8.180 nan 0.000 0.667 105 I N 2.865 123.412 120.570 -0.038 0.000 2.603 105 I HA 0.059 4.229 4.170 -0.000 0.000 0.276 105 I C -0.628 175.425 176.117 -0.108 0.000 1.133 105 I CA -0.554 60.596 61.300 -0.249 0.000 1.070 105 I CB 0.355 38.096 38.000 -0.432 0.000 1.215 105 I HN 0.406 nan 8.210 nan 0.000 0.487 106 N N 4.928 123.589 118.700 -0.065 0.000 2.902 106 N HA 0.547 5.287 4.740 -0.000 0.000 0.268 106 N C -2.755 172.724 175.510 -0.051 0.000 1.450 106 N CA -1.848 51.197 53.050 -0.008 0.000 0.819 106 N CB 1.290 39.835 38.487 0.097 0.000 1.540 106 N HN -0.127 nan 8.380 nan 0.000 0.545 107 P HA -0.096 nan 4.420 nan 0.000 0.217 107 P C 0.333 177.622 177.300 -0.019 0.000 1.148 107 P CA 1.497 64.594 63.100 -0.004 0.000 0.834 107 P CB 0.166 31.890 31.700 0.040 0.000 0.783 108 D N -1.179 119.228 120.400 0.013 0.000 2.144 108 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 108 D C 2.009 178.293 176.300 -0.026 0.000 0.984 108 D CA 1.436 55.448 54.000 0.020 0.000 0.834 108 D CB -0.709 40.130 40.800 0.066 0.000 0.955 108 D HN 0.048 nan 8.370 nan 0.000 0.465 109 A N 0.334 123.101 122.820 -0.088 0.000 1.897 109 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 109 A C 2.423 179.818 177.584 -0.315 0.000 1.181 109 A CA 1.740 53.678 52.037 -0.165 0.000 0.620 109 A CB -0.834 18.034 19.000 -0.219 0.000 0.821 109 A HN 0.217 nan 8.150 nan 0.000 0.443 110 V N -2.092 117.551 119.914 -0.452 0.000 2.295 110 V HA -0.099 4.021 4.120 -0.000 0.000 0.246 110 V C 2.507 178.592 176.094 -0.016 0.000 1.049 110 V CA 1.924 64.040 62.300 -0.307 0.000 1.024 110 V CB -1.599 30.140 31.823 -0.140 0.000 0.648 110 V HN 0.509 nan 8.190 nan 0.000 0.447 111 A N 0.440 123.251 122.820 -0.015 0.000 2.131 111 A HA 0.225 4.545 4.320 -0.000 0.000 0.220 111 A C 2.201 179.810 177.584 0.042 0.000 1.158 111 A CA 1.897 53.952 52.037 0.029 0.000 0.665 111 A CB -0.760 18.255 19.000 0.024 0.000 0.795 111 A HN 1.146 nan 8.150 nan 0.000 0.460 112 A N -0.335 122.508 122.820 0.039 0.000 2.348 112 A HA 0.451 4.771 4.320 -0.000 0.000 0.224 112 A C 1.220 178.860 177.584 0.093 0.000 1.227 112 A CA 0.661 52.731 52.037 0.055 0.000 0.885 112 A CB -0.354 18.673 19.000 0.046 0.000 0.933 112 A HN 0.691 nan 8.150 nan 0.000 0.506 113 S N -1.017 114.767 115.700 0.140 0.000 2.745 113 S HA 0.374 4.843 4.470 -0.000 0.000 0.292 113 S C 0.609 175.290 174.600 0.136 0.000 1.133 113 S CA -0.063 58.260 58.200 0.205 0.000 0.998 113 S CB 0.880 64.346 63.200 0.443 0.000 1.087 113 S HN 0.323 nan 8.310 nan 0.000 0.551 114 E N 0.429 120.689 120.200 0.100 0.000 2.147 114 E HA -0.192 4.157 4.350 -0.000 0.000 0.199 114 E C 1.560 178.190 176.600 0.051 0.000 1.005 114 E CA 1.828 58.256 56.400 0.047 0.000 0.810 114 E CB -0.690 29.010 29.700 -0.001 0.000 0.736 114 E HN 0.795 nan 8.360 nan 0.000 0.460 115 I N -2.286 118.328 120.570 0.072 0.000 3.646 115 I HA 0.175 4.345 4.170 -0.000 0.000 0.301 115 I C 1.883 178.084 176.117 0.141 0.000 1.276 115 I CA 0.379 61.740 61.300 0.102 0.000 1.254 115 I CB -0.260 37.806 38.000 0.110 0.000 1.020 115 I HN -0.064 nan 8.210 nan 0.000 0.473 116 G N 2.234 111.106 108.800 0.119 0.000 2.476 116 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 116 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 116 G C 1.727 176.675 174.900 0.080 0.000 1.164 116 G CA 0.528 45.686 45.100 0.097 0.000 0.768 116 G HN 0.293 nan 8.290 nan 0.000 0.560 117 R N 0.482 121.024 120.500 0.071 0.000 2.103 117 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 117 R C 2.912 179.252 176.300 0.066 0.000 1.132 117 R CA 1.795 57.931 56.100 0.060 0.000 0.925 117 R CB -1.719 28.613 30.300 0.052 0.000 0.842 117 R HN 0.541 nan 8.270 nan 0.000 0.430 118 V N -1.204 118.763 119.914 0.088 0.000 2.568 118 V HA -0.190 3.930 4.120 -0.000 0.000 0.253 118 V C 2.189 178.332 176.094 0.082 0.000 1.072 118 V CA 1.680 64.036 62.300 0.094 0.000 1.084 118 V CB -1.086 30.826 31.823 0.148 0.000 0.676 118 V HN 0.211 nan 8.190 nan 0.000 0.469 119 C N 1.447 120.804 119.300 0.094 0.000 2.697 119 C HA 0.166 4.626 4.460 -0.000 0.000 0.267 119 C C 3.039 178.052 174.990 0.039 0.000 1.278 119 C CA 0.383 59.443 59.018 0.070 0.000 1.708 119 C CB -1.253 26.550 27.740 0.106 0.000 1.860 119 C HN 0.808 nan 8.230 nan 0.000 0.589 120 S N 2.031 117.756 115.700 0.041 0.000 2.407 120 S HA -0.241 4.229 4.470 -0.000 0.000 0.235 120 S C 1.143 175.753 174.600 0.018 0.000 1.036 120 S CA 1.877 60.095 58.200 0.030 0.000 1.013 120 S CB -0.308 62.910 63.200 0.031 0.000 0.820 120 S HN 0.638 nan 8.310 nan 0.000 0.476 121 E N 0.296 120.501 120.200 0.009 0.000 2.498 121 E HA 0.434 4.784 4.350 -0.000 0.000 0.203 121 E C -0.122 176.465 176.600 -0.021 0.000 1.013 121 E CA -0.155 56.244 56.400 -0.001 0.000 0.927 121 E CB 0.216 29.915 29.700 -0.001 0.000 1.012 121 E HN 0.545 nan 8.360 nan 0.000 0.482 122 L N 1.303 122.506 121.223 -0.034 0.000 2.350 122 L HA 0.259 4.599 4.340 -0.000 0.000 0.275 122 L C 0.511 177.324 176.870 -0.095 0.000 1.099 122 L CA -0.561 54.228 54.840 -0.085 0.000 0.808 122 L CB 0.860 42.858 42.059 -0.101 0.000 1.149 122 L HN -0.123 nan 8.230 nan 0.000 0.442 123 K N 3.732 124.038 120.400 -0.156 0.000 2.469 123 K HA -0.017 4.303 4.320 -0.000 0.000 0.274 123 K C -1.341 175.173 176.600 -0.144 0.000 0.983 123 K CA -0.984 55.226 56.287 -0.128 0.000 0.974 123 K CB 0.433 32.830 32.500 -0.172 0.000 0.913 123 K HN 0.384 nan 8.250 nan 0.000 0.493 124 P HA -0.245 nan 4.420 nan 0.000 0.217 124 P C 1.214 178.571 177.300 0.096 0.000 1.162 124 P CA 1.910 65.051 63.100 0.068 0.000 0.901 124 P CB -0.317 31.463 31.700 0.132 0.000 0.793 125 W N 0.563 121.899 121.300 0.059 0.000 2.374 125 W HA -0.066 4.594 4.660 -0.000 0.000 0.288 125 W C 1.898 178.477 176.519 0.101 0.000 1.218 125 W CA 0.344 57.731 57.345 0.070 0.000 1.245 125 W CB -1.902 27.605 29.460 0.077 0.000 1.126 125 W HN -0.113 nan 8.180 nan 0.000 0.545 126 L N 1.425 122.261 121.223 -0.644 0.000 2.093 126 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 126 L C 2.898 179.683 176.870 -0.142 0.000 1.085 126 L CA 1.683 56.177 54.840 -0.576 0.000 0.755 126 L CB -0.921 40.669 42.059 -0.781 0.000 0.904 126 L HN -0.093 nan 8.230 nan 0.000 0.435 127 S N -0.246 115.411 115.700 -0.072 0.000 2.351 127 S HA -0.176 4.294 4.470 -0.000 0.000 0.220 127 S C 2.037 176.738 174.600 0.167 0.000 1.035 127 S CA 1.522 59.759 58.200 0.061 0.000 1.031 127 S CB -0.334 62.895 63.200 0.047 0.000 0.928 127 S HN 0.174 nan 8.310 nan 0.000 0.433 128 V N 2.284 122.289 119.914 0.150 0.000 2.324 128 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 128 V C 2.068 178.338 176.094 0.294 0.000 1.060 128 V CA 1.657 64.082 62.300 0.209 0.000 1.042 128 V CB -0.808 31.106 31.823 0.151 0.000 0.650 128 V HN 0.444 nan 8.190 nan 0.000 0.450 129 I N -0.638 120.094 120.570 0.269 0.000 2.208 129 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 129 I C 2.344 178.678 176.117 0.362 0.000 1.097 129 I CA 1.643 63.138 61.300 0.325 0.000 1.363 129 I CB -0.234 37.980 38.000 0.356 0.000 1.051 129 I HN 0.289 nan 8.210 nan 0.000 0.413 130 L N -0.644 120.785 121.223 0.343 0.000 2.027 130 L HA -0.229 4.111 4.340 -0.000 0.000 0.206 130 L C 2.575 179.688 176.870 0.404 0.000 1.074 130 L CA 1.320 56.406 54.840 0.411 0.000 0.745 130 L CB -0.657 41.660 42.059 0.430 0.000 0.898 130 L HN 0.169 nan 8.230 nan 0.000 0.433 131 F N 0.727 120.822 119.950 0.242 0.000 2.126 131 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 131 F C 2.269 178.212 175.800 0.237 0.000 1.096 131 F CA 1.572 59.696 58.000 0.205 0.000 1.255 131 F CB -0.138 38.963 39.000 0.167 0.000 0.997 131 F HN -0.110 nan 8.300 nan 0.000 0.479 132 L N -0.269 121.194 121.223 0.400 0.000 2.017 132 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 132 L C 2.421 179.438 176.870 0.245 0.000 1.073 132 L CA 1.530 56.599 54.840 0.381 0.000 0.745 132 L CB -0.615 41.654 42.059 0.350 0.000 0.894 132 L HN 0.171 nan 8.230 nan 0.000 0.432 133 I N -0.785 119.949 120.570 0.273 0.000 2.315 133 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 133 I C 2.777 178.882 176.117 -0.021 0.000 1.117 133 I CA 1.076 62.462 61.300 0.142 0.000 1.404 133 I CB -0.322 37.769 38.000 0.152 0.000 1.071 133 I HN 0.221 nan 8.210 nan 0.000 0.419 134 R N 0.937 121.441 120.500 0.006 0.000 2.075 134 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 134 R C 2.157 178.347 176.300 -0.182 0.000 1.126 134 R CA 1.267 57.301 56.100 -0.110 0.000 0.963 134 R CB 0.037 30.219 30.300 -0.196 0.000 0.858 134 R HN 0.238 nan 8.270 nan 0.000 0.435 135 E N 0.219 120.294 120.200 -0.210 0.000 2.208 135 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 135 E C 1.863 178.417 176.600 -0.077 0.000 0.988 135 E CA 0.628 56.999 56.400 -0.048 0.000 0.828 135 E CB -0.133 29.683 29.700 0.193 0.000 0.763 135 E HN 0.342 nan 8.360 nan 0.000 0.478 136 R N 0.699 120.905 120.500 -0.489 0.000 2.092 136 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 136 R C 2.171 178.266 176.300 -0.342 0.000 1.119 136 R CA 1.406 57.045 56.100 -0.769 0.000 0.970 136 R CB 0.123 29.879 30.300 -0.906 0.000 0.864 136 R HN -0.009 nan 8.270 nan 0.000 0.440 137 S N 0.361 115.913 115.700 -0.247 0.000 2.371 137 S HA -0.002 4.468 4.470 -0.000 0.000 0.224 137 S C 0.477 175.009 174.600 -0.113 0.000 1.029 137 S CA 0.582 58.681 58.200 -0.169 0.000 0.978 137 S CB -0.094 63.021 63.200 -0.142 0.000 0.833 137 S HN 0.321 nan 8.310 nan 0.000 0.466 138 R N 2.464 122.907 120.500 -0.094 0.000 2.446 138 R HA 0.070 4.410 4.340 -0.000 0.000 0.314 138 R C 0.034 176.306 176.300 -0.047 0.000 1.003 138 R CA 0.209 56.269 56.100 -0.066 0.000 1.018 138 R CB 0.027 30.291 30.300 -0.060 0.000 0.945 138 R HN 0.444 nan 8.270 nan 0.000 0.419 139 E N 2.666 122.836 120.200 -0.051 0.000 2.322 139 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 139 E C 0.034 176.601 176.600 -0.055 0.000 1.198 139 E CA 0.242 56.615 56.400 -0.045 0.000 1.132 139 E CB 0.084 29.761 29.700 -0.039 0.000 1.213 139 E HN 0.616 nan 8.360 nan 0.000 0.450 140 D N -1.454 118.908 120.400 -0.064 0.000 2.523 140 D HA -0.055 4.585 4.640 -0.000 0.000 0.269 140 D C 0.398 176.634 176.300 -0.107 0.000 1.374 140 D CA -0.182 53.769 54.000 -0.083 0.000 0.820 140 D CB -0.273 40.490 40.800 -0.062 0.000 1.211 140 D HN -0.081 nan 8.370 nan 0.000 0.502 141 S N 0.361 116.014 115.700 -0.080 0.000 2.566 141 S HA 0.094 4.564 4.470 -0.000 0.000 0.280 141 S C 1.689 176.131 174.600 -0.263 0.000 1.343 141 S CA -0.247 57.909 58.200 -0.074 0.000 1.036 141 S CB 1.241 64.523 63.200 0.137 0.000 0.866 141 S HN 0.049 nan 8.310 nan 0.000 0.526 142 V N 3.109 122.727 119.914 -0.493 0.000 2.626 142 V HA -0.117 4.003 4.120 -0.000 0.000 0.252 142 V C 1.062 176.597 176.094 -0.932 0.000 1.067 142 V CA 1.498 63.331 62.300 -0.779 0.000 1.081 142 V CB -0.848 30.292 31.823 -1.138 0.000 0.686 142 V HN 0.942 nan 8.190 nan 0.000 0.468 143 W N -0.256 120.953 121.300 -0.152 0.000 3.269 143 W HA 0.380 5.040 4.660 -0.000 0.000 0.413 143 W C 1.766 178.106 176.519 -0.297 0.000 1.057 143 W CA -0.733 56.421 57.345 -0.318 0.000 1.953 143 W CB -0.471 28.754 29.460 -0.392 0.000 1.053 143 W HN 0.037 nan 8.180 nan 0.000 0.753 144 K N 0.684 120.924 120.400 -0.266 0.000 2.015 144 K HA -0.263 4.057 4.320 -0.000 0.000 0.216 144 K C 1.674 178.169 176.600 -0.175 0.000 1.052 144 K CA 2.070 58.229 56.287 -0.213 0.000 0.937 144 K CB -0.190 31.999 32.500 -0.519 0.000 0.719 144 K HN 0.231 nan 8.250 nan 0.000 0.446 145 H N -1.482 117.484 119.070 -0.174 0.000 2.495 145 H HA -0.103 4.453 4.556 -0.000 0.000 0.287 145 H C 1.834 177.304 175.328 0.236 0.000 1.033 145 H CA 1.176 57.233 56.048 0.015 0.000 1.307 145 H CB -0.419 29.323 29.762 -0.034 0.000 1.401 145 H HN 0.380 nan 8.280 nan 0.000 0.555 146 Y N 1.069 121.433 120.300 0.107 0.000 2.133 146 Y HA -0.167 4.383 4.550 -0.000 0.000 0.287 146 Y C 2.110 178.019 175.900 0.015 0.000 1.134 146 Y CA 1.106 59.305 58.100 0.165 0.000 1.133 146 Y CB -0.964 37.581 38.460 0.141 0.000 0.987 146 Y HN -0.031 nan 8.280 nan 0.000 0.502 147 F N 0.222 120.191 119.950 0.031 0.000 2.202 147 F HA -0.146 4.381 4.527 -0.000 0.000 0.301 147 F C 2.568 178.335 175.800 -0.056 0.000 1.082 147 F CA 0.878 58.850 58.000 -0.047 0.000 1.313 147 F CB -0.724 38.340 39.000 0.107 0.000 1.024 147 F HN 0.204 nan 8.300 nan 0.000 0.495 148 G N -0.300 108.596 108.800 0.160 0.000 2.535 148 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 148 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 148 G C 1.324 176.243 174.900 0.031 0.000 1.122 148 G CA 0.492 45.656 45.100 0.106 0.000 0.769 148 G HN 0.273 nan 8.290 nan 0.000 0.549 149 I N 0.348 120.873 120.570 -0.076 0.000 4.057 149 I HA 0.317 4.487 4.170 -0.000 0.000 0.334 149 I C 0.800 176.828 176.117 -0.147 0.000 1.308 149 I CA -0.190 61.016 61.300 -0.157 0.000 1.125 149 I CB -0.359 37.395 38.000 -0.411 0.000 1.034 149 I HN 0.025 nan 8.210 nan 0.000 0.401 150 L N 2.734 123.890 121.223 -0.111 0.000 2.397 150 L HA 0.237 4.577 4.340 -0.000 0.000 0.271 150 L C -1.841 175.078 176.870 0.083 0.000 1.148 150 L CA -1.413 53.412 54.840 -0.025 0.000 0.825 150 L CB 0.132 42.242 42.059 0.085 0.000 1.117 150 L HN -0.104 nan 8.230 nan 0.000 0.456 151 P HA 0.043 nan 4.420 nan 0.000 0.270 151 P C 0.012 177.405 177.300 0.154 0.000 1.223 151 P CA -0.461 62.688 63.100 0.080 0.000 0.785 151 P CB 0.542 32.276 31.700 0.057 0.000 0.923 152 Q N 0.505 120.357 119.800 0.087 0.000 2.311 152 Q HA -0.041 4.299 4.340 -0.000 0.000 0.203 152 Q C 0.653 176.692 176.000 0.066 0.000 0.954 152 Q CA 1.311 57.170 55.803 0.093 0.000 0.885 152 Q CB 0.202 28.941 28.738 0.001 0.000 0.963 152 Q HN 0.718 nan 8.270 nan 0.000 0.471 153 E N -1.521 118.631 120.200 -0.080 0.000 2.402 153 E HA 0.380 4.730 4.350 -0.000 0.000 0.270 153 E C -0.867 175.612 176.600 -0.201 0.000 1.131 153 E CA -0.533 55.618 56.400 -0.415 0.000 0.884 153 E CB 0.961 30.186 29.700 -0.791 0.000 1.564 153 E HN -0.025 nan 8.360 nan 0.000 0.456 154 T N -2.604 111.844 114.554 -0.177 0.000 2.742 154 T HA 0.383 4.733 4.350 -0.000 0.000 0.282 154 T C -0.398 174.462 174.700 0.267 0.000 1.025 154 T CA -0.626 61.549 62.100 0.126 0.000 1.020 154 T CB 1.247 70.250 68.868 0.225 0.000 1.317 154 T HN 0.352 nan 8.240 nan 0.000 0.538 155 D N 1.275 121.865 120.400 0.316 0.000 2.352 155 D HA 0.182 4.822 4.640 -0.000 0.000 0.236 155 D C 0.583 177.195 176.300 0.520 0.000 1.148 155 D CA 0.165 54.430 54.000 0.441 0.000 0.844 155 D CB 0.058 41.078 40.800 0.368 0.000 0.933 155 D HN 0.516 nan 8.370 nan 0.000 0.507 156 S N 0.259 116.179 115.700 0.367 0.000 2.549 156 S HA -0.001 4.469 4.470 -0.000 0.000 0.286 156 S C 1.906 176.426 174.600 -0.133 0.000 1.314 156 S CA -0.037 58.210 58.200 0.079 0.000 1.062 156 S CB 0.984 64.204 63.200 0.034 0.000 0.865 156 S HN 0.338 nan 8.310 nan 0.000 0.498 157 T N 3.642 117.817 114.554 -0.633 0.000 2.778 157 T HA -0.230 4.120 4.350 -0.000 0.000 0.269 157 T C 1.813 176.163 174.700 -0.584 0.000 1.050 157 T CA 1.718 63.104 62.100 -1.191 0.000 1.137 157 T CB -1.055 67.166 68.868 -1.079 0.000 0.860 157 T HN 0.887 nan 8.240 nan 0.000 0.468 158 I N -2.134 118.126 120.570 -0.516 0.000 2.800 158 I HA -0.066 4.104 4.170 -0.000 0.000 0.266 158 I C 1.477 177.270 176.117 -0.541 0.000 1.249 158 I CA 1.158 62.081 61.300 -0.628 0.000 1.458 158 I CB -0.743 36.744 38.000 -0.855 0.000 1.093 158 I HN 0.199 nan 8.210 nan 0.000 0.466 159 Y N -1.262 119.057 120.300 0.031 0.000 2.481 159 Y HA 0.273 4.823 4.550 -0.000 0.000 0.247 159 Y C 0.639 176.727 175.900 0.315 0.000 1.151 159 Y CA -1.139 57.070 58.100 0.181 0.000 1.238 159 Y CB 0.026 38.612 38.460 0.209 0.000 1.179 159 Y HN 0.075 nan 8.280 nan 0.000 0.524 160 W N 2.404 123.775 121.300 0.118 0.000 2.148 160 W HA 0.206 4.866 4.660 -0.000 0.000 0.347 160 W C 0.979 177.542 176.519 0.073 0.000 1.288 160 W CA -0.850 56.547 57.345 0.086 0.000 1.252 160 W CB 0.335 29.821 29.460 0.044 0.000 1.156 160 W HN -0.056 nan 8.180 nan 0.000 0.580 161 S N 0.635 116.481 115.700 0.244 0.000 2.645 161 S HA 0.100 4.570 4.470 -0.000 0.000 0.266 161 S C 0.987 175.675 174.600 0.146 0.000 1.258 161 S CA -0.326 57.965 58.200 0.151 0.000 0.990 161 S CB 1.380 64.625 63.200 0.075 0.000 0.967 161 S HN 0.473 nan 8.310 nan 0.000 0.556 162 E N 0.777 121.038 120.200 0.102 0.000 2.110 162 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 162 E C 1.616 178.256 176.600 0.067 0.000 0.988 162 E CA 1.779 58.229 56.400 0.082 0.000 0.804 162 E CB -0.433 29.300 29.700 0.055 0.000 0.745 162 E HN 0.798 nan 8.360 nan 0.000 0.458 163 E N 0.246 120.473 120.200 0.044 0.000 2.072 163 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 163 E C 2.057 178.671 176.600 0.022 0.000 0.985 163 E CA 1.351 57.762 56.400 0.018 0.000 0.801 163 E CB -0.156 29.543 29.700 -0.002 0.000 0.750 163 E HN 0.362 nan 8.360 nan 0.000 0.452 164 E N 0.501 120.712 120.200 0.019 0.000 2.077 164 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 164 E C 2.057 178.787 176.600 0.217 0.000 0.989 164 E CA 0.827 57.206 56.400 -0.036 0.000 0.800 164 E CB -0.121 29.456 29.700 -0.206 0.000 0.746 164 E HN 0.199 nan 8.360 nan 0.000 0.452 165 L N 0.740 122.161 121.223 0.330 0.000 2.046 165 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 165 L C 2.541 179.537 176.870 0.211 0.000 1.077 165 L CA 1.212 56.263 54.840 0.352 0.000 0.747 165 L CB -0.413 41.767 42.059 0.201 0.000 0.896 165 L HN 0.198 nan 8.230 nan 0.000 0.432 166 Q N -0.281 119.588 119.800 0.115 0.000 2.268 166 Q HA -0.290 4.050 4.340 -0.000 0.000 0.210 166 Q C 1.937 177.976 176.000 0.064 0.000 0.988 166 Q CA 1.607 57.431 55.803 0.034 0.000 0.883 166 Q CB -0.064 28.656 28.738 -0.030 0.000 0.911 166 Q HN 0.304 nan 8.270 nan 0.000 0.430 167 E N 0.131 120.424 120.200 0.155 0.000 2.409 167 E HA -0.068 4.282 4.350 -0.000 0.000 0.198 167 E C 0.497 177.305 176.600 0.346 0.000 1.024 167 E CA 0.630 57.184 56.400 0.258 0.000 0.861 167 E CB 0.202 30.013 29.700 0.185 0.000 0.788 167 E HN 0.284 nan 8.360 nan 0.000 0.521 168 L N 0.795 122.190 121.223 0.287 0.000 3.017 168 L HA 0.218 4.558 4.340 -0.000 0.000 0.255 168 L C 0.366 177.313 176.870 0.129 0.000 1.247 168 L CA -0.343 54.632 54.840 0.225 0.000 1.038 168 L CB 0.179 42.341 42.059 0.172 0.000 1.380 168 L HN 0.057 nan 8.230 nan 0.000 0.548 169 Q N 0.952 120.846 119.800 0.156 0.000 2.263 169 Q HA 0.086 4.426 4.340 -0.000 0.000 0.289 169 Q C 1.196 177.135 176.000 -0.100 0.000 1.061 169 Q CA 1.135 56.970 55.803 0.053 0.000 0.927 169 Q CB 0.557 29.343 28.738 0.080 0.000 1.154 169 Q HN 0.478 nan 8.270 nan 0.000 0.378 170 G N 2.884 111.558 108.800 -0.210 0.000 2.168 170 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.263 170 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.263 170 G C -0.016 174.454 174.900 -0.717 0.000 0.977 170 G CA 0.486 45.312 45.100 -0.456 0.000 0.659 170 G HN 0.972 nan 8.290 nan 0.000 0.533 171 S N -1.202 114.286 115.700 -0.352 0.000 2.654 171 S HA 0.621 5.091 4.470 -0.000 0.000 0.283 171 S C 1.069 175.647 174.600 -0.035 0.000 1.180 171 S CA 0.463 58.632 58.200 -0.052 0.000 1.021 171 S CB 2.084 65.370 63.200 0.144 0.000 1.018 171 S HN 0.456 nan 8.310 nan 0.000 0.532 172 Q N 0.056 119.845 119.800 -0.019 0.000 2.079 172 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 172 Q C 1.840 177.725 176.000 -0.192 0.000 0.974 172 Q CA 1.294 56.971 55.803 -0.209 0.000 0.840 172 Q CB -0.343 28.026 28.738 -0.615 0.000 0.898 172 Q HN 0.793 nan 8.270 nan 0.000 0.430 173 L N 0.713 121.839 121.223 -0.161 0.000 2.043 173 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 173 L C 2.105 178.864 176.870 -0.186 0.000 1.075 173 L CA 1.667 56.399 54.840 -0.181 0.000 0.752 173 L CB -0.860 41.105 42.059 -0.157 0.000 0.891 173 L HN 0.443 nan 8.230 nan 0.000 0.432 174 L N -0.366 120.774 121.223 -0.137 0.000 2.017 174 L HA -0.214 4.125 4.340 -0.000 0.000 0.208 174 L C 2.471 179.267 176.870 -0.124 0.000 1.073 174 L CA 1.889 56.653 54.840 -0.125 0.000 0.745 174 L CB -0.780 41.237 42.059 -0.070 0.000 0.894 174 L HN 0.280 nan 8.230 nan 0.000 0.432 175 K N -1.190 119.142 120.400 -0.114 0.000 2.026 175 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 175 K C 1.908 178.432 176.600 -0.126 0.000 1.048 175 K CA 1.970 58.195 56.287 -0.102 0.000 0.929 175 K CB -0.567 31.881 32.500 -0.087 0.000 0.713 175 K HN 0.408 nan 8.250 nan 0.000 0.439 176 T N 0.858 115.315 114.554 -0.161 0.000 2.652 176 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 176 T C 2.206 176.790 174.700 -0.194 0.000 1.039 176 T CA 2.188 64.176 62.100 -0.186 0.000 1.153 176 T CB -0.638 68.100 68.868 -0.218 0.000 0.863 176 T HN 0.543 nan 8.240 nan 0.000 0.428 177 T N 1.042 115.465 114.554 -0.218 0.000 2.720 177 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 177 T C 2.040 176.616 174.700 -0.208 0.000 1.037 177 T CA 1.315 63.264 62.100 -0.251 0.000 1.144 177 T CB -1.007 67.673 68.868 -0.312 0.000 0.864 177 T HN 0.202 nan 8.240 nan 0.000 0.444 178 V N 1.931 121.753 119.914 -0.153 0.000 2.295 178 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 178 V C 3.141 179.185 176.094 -0.084 0.000 1.049 178 V CA 2.218 64.457 62.300 -0.102 0.000 1.024 178 V CB -1.097 30.683 31.823 -0.070 0.000 0.648 178 V HN 0.568 nan 8.190 nan 0.000 0.447 179 S N -0.110 115.535 115.700 -0.091 0.000 2.359 179 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 179 S C 2.027 176.590 174.600 -0.062 0.000 1.035 179 S CA 1.604 59.763 58.200 -0.069 0.000 1.018 179 S CB -0.382 62.760 63.200 -0.097 0.000 0.876 179 S HN 0.360 nan 8.310 nan 0.000 0.448 180 V N 2.210 122.048 119.914 -0.126 0.000 2.255 180 V HA -0.231 3.888 4.120 -0.000 0.000 0.247 180 V C 2.368 178.354 176.094 -0.182 0.000 1.051 180 V CA 1.754 63.964 62.300 -0.149 0.000 1.018 180 V CB -0.615 31.083 31.823 -0.209 0.000 0.641 180 V HN 0.431 nan 8.190 nan 0.000 0.445 181 K N -0.319 119.939 120.400 -0.236 0.000 2.044 181 K HA -0.281 4.039 4.320 -0.000 0.000 0.210 181 K C 2.253 178.902 176.600 0.083 0.000 1.049 181 K CA 2.059 58.217 56.287 -0.214 0.000 0.927 181 K CB -0.264 32.102 32.500 -0.224 0.000 0.713 181 K HN 0.563 nan 8.250 nan 0.000 0.443 182 E N 0.096 120.322 120.200 0.042 0.000 2.058 182 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 182 E C 2.021 178.657 176.600 0.060 0.000 0.997 182 E CA 1.236 57.673 56.400 0.061 0.000 0.801 182 E CB -0.152 29.572 29.700 0.040 0.000 0.746 182 E HN 0.322 nan 8.360 nan 0.000 0.450 183 Y N 0.692 120.962 120.300 -0.049 0.000 2.181 183 Y HA -0.199 4.351 4.550 -0.000 0.000 0.288 183 Y C 2.010 177.896 175.900 -0.022 0.000 1.146 183 Y CA 1.361 59.437 58.100 -0.040 0.000 1.164 183 Y CB -0.335 38.090 38.460 -0.058 0.000 0.982 183 Y HN -0.092 nan 8.280 nan 0.000 0.515 184 V N 1.029 120.845 119.914 -0.163 0.000 2.295 184 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 184 V C 2.465 178.432 176.094 -0.212 0.000 1.049 184 V CA 2.305 64.481 62.300 -0.207 0.000 1.024 184 V CB -0.773 30.910 31.823 -0.232 0.000 0.648 184 V HN 0.376 nan 8.190 nan 0.000 0.447 185 K N 0.443 120.781 120.400 -0.103 0.000 2.001 185 K HA -0.264 4.056 4.320 -0.000 0.000 0.214 185 K C 2.062 178.512 176.600 -0.250 0.000 1.050 185 K CA 2.219 58.382 56.287 -0.206 0.000 0.934 185 K CB -0.279 32.166 32.500 -0.092 0.000 0.718 185 K HN 0.469 nan 8.250 nan 0.000 0.443 186 N N 1.071 119.650 118.700 -0.202 0.000 2.036 186 N HA -0.184 4.556 4.740 -0.000 0.000 0.195 186 N C 1.679 177.019 175.510 -0.284 0.000 1.037 186 N CA 1.431 54.363 53.050 -0.197 0.000 0.855 186 N CB -0.521 37.889 38.487 -0.129 0.000 1.033 186 N HN 0.298 nan 8.380 nan 0.000 0.423 187 E N 0.643 120.599 120.200 -0.407 0.000 2.097 187 E HA -0.131 4.219 4.350 -0.000 0.000 0.196 187 E C 2.195 178.521 176.600 -0.457 0.000 1.000 187 E CA 0.695 56.834 56.400 -0.434 0.000 0.804 187 E CB -0.574 28.800 29.700 -0.544 0.000 0.740 187 E HN 0.365 nan 8.360 nan 0.000 0.454 188 C N 0.492 119.447 119.300 -0.575 0.000 2.450 188 C HA -0.011 4.449 4.460 -0.000 0.000 0.279 188 C C 2.811 177.371 174.990 -0.717 0.000 1.335 188 C CA 0.106 58.548 59.018 -0.961 0.000 1.749 188 C CB -1.006 25.765 27.740 -1.615 0.000 1.963 188 C HN 0.365 nan 8.230 nan 0.000 0.501 189 L N 0.500 121.475 121.223 -0.413 0.000 2.141 189 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 189 L C 2.544 179.304 176.870 -0.183 0.000 1.094 189 L CA 1.394 56.105 54.840 -0.214 0.000 0.763 189 L CB -0.580 41.392 42.059 -0.146 0.000 0.908 189 L HN 0.413 nan 8.230 nan 0.000 0.437 190 K N 0.268 120.538 120.400 -0.217 0.000 2.097 190 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 190 K C 2.038 178.533 176.600 -0.174 0.000 1.050 190 K CA 1.034 57.219 56.287 -0.170 0.000 0.938 190 K CB -0.120 32.278 32.500 -0.171 0.000 0.718 190 K HN 0.291 nan 8.250 nan 0.000 0.442 191 L N 0.752 121.834 121.223 -0.236 0.000 2.201 191 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 191 L C 2.492 179.258 176.870 -0.174 0.000 1.105 191 L CA 1.019 55.731 54.840 -0.213 0.000 0.775 191 L CB -0.372 41.532 42.059 -0.258 0.000 0.913 191 L HN 0.273 nan 8.230 nan 0.000 0.440 192 E N 0.852 120.979 120.200 -0.121 0.000 2.107 192 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 192 E C 2.037 178.584 176.600 -0.088 0.000 0.982 192 E CA 1.151 57.510 56.400 -0.068 0.000 0.809 192 E CB 0.165 29.877 29.700 0.019 0.000 0.756 192 E HN 0.653 nan 8.360 nan 0.000 0.459 193 Q N -0.905 118.845 119.800 -0.084 0.000 2.356 193 Q HA 0.051 4.391 4.340 -0.000 0.000 0.205 193 Q C 0.979 176.940 176.000 -0.065 0.000 0.901 193 Q CA 0.444 56.208 55.803 -0.066 0.000 0.938 193 Q CB 0.479 29.184 28.738 -0.056 0.000 1.081 193 Q HN 0.223 nan 8.270 nan 0.000 0.517 194 E N -0.324 119.826 120.200 -0.084 0.000 2.514 194 E HA 0.169 4.519 4.350 -0.000 0.000 0.215 194 E C 0.489 177.047 176.600 -0.069 0.000 0.946 194 E CA 0.129 56.489 56.400 -0.068 0.000 1.038 194 E CB 0.715 30.373 29.700 -0.070 0.000 1.069 194 E HN 0.261 nan 8.360 nan 0.000 0.503 195 I N -0.567 119.933 120.570 -0.117 0.000 4.193 195 I HA 0.037 4.207 4.170 -0.000 0.000 0.287 195 I C 1.703 177.671 176.117 -0.250 0.000 1.175 195 I CA 0.100 61.324 61.300 -0.127 0.000 1.320 195 I CB 0.209 38.121 38.000 -0.146 0.000 1.523 195 I HN -0.054 nan 8.210 nan 0.000 0.450 196 I N 0.630 120.930 120.570 -0.451 0.000 2.110 196 I HA -0.252 3.918 4.170 -0.000 0.000 0.236 196 I C 2.337 178.362 176.117 -0.153 0.000 1.068 196 I CA 1.748 62.694 61.300 -0.591 0.000 1.333 196 I CB -0.385 37.321 38.000 -0.489 0.000 1.054 196 I HN 0.124 nan 8.210 nan 0.000 0.402 197 L N 0.514 121.679 121.223 -0.097 0.000 1.994 197 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 197 L C -0.278 176.593 176.870 0.002 0.000 1.071 197 L CA 1.565 56.389 54.840 -0.028 0.000 0.745 197 L CB -2.058 39.982 42.059 -0.031 0.000 0.892 197 L HN 0.150 nan 8.230 nan 0.000 0.431 198 P HA -0.139 nan 4.420 nan 0.000 0.224 198 P C 0.018 177.346 177.300 0.046 0.000 1.142 198 P CA 1.321 64.428 63.100 0.012 0.000 0.778 198 P CB 0.022 31.722 31.700 0.000 0.000 0.764 199 N N -0.895 117.856 118.700 0.085 0.000 2.642 199 N HA 0.046 4.786 4.740 -0.000 0.000 0.308 199 N C 0.869 176.494 175.510 0.192 0.000 1.914 199 N CA -0.115 53.024 53.050 0.149 0.000 0.893 199 N CB 0.523 39.151 38.487 0.234 0.000 1.322 199 N HN 0.297 nan 8.380 nan 0.000 0.490 200 K N 0.184 120.655 120.400 0.118 0.000 2.366 200 K HA -0.209 4.111 4.320 -0.000 0.000 0.202 200 K C 1.767 178.421 176.600 0.091 0.000 1.045 200 K CA 0.922 57.274 56.287 0.108 0.000 0.934 200 K CB 0.263 32.797 32.500 0.056 0.000 0.746 200 K HN 0.142 nan 8.250 nan 0.000 0.470 201 R N 1.391 121.934 120.500 0.072 0.000 2.066 201 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 201 R C 2.199 178.497 176.300 -0.004 0.000 1.131 201 R CA 1.131 57.249 56.100 0.029 0.000 0.955 201 R CB -0.198 30.115 30.300 0.022 0.000 0.851 201 R HN 0.274 nan 8.270 nan 0.000 0.432 202 L N -0.296 120.927 121.223 -0.000 0.000 2.109 202 L HA 0.014 4.354 4.340 -0.000 0.000 0.207 202 L C 0.315 176.944 176.870 -0.401 0.000 1.086 202 L CA 0.669 55.386 54.840 -0.205 0.000 0.760 202 L CB 0.040 41.959 42.059 -0.234 0.000 0.910 202 L HN 0.076 nan 8.230 nan 0.000 0.437 203 F N -0.590 119.359 119.950 -0.002 0.000 2.319 203 F HA 0.315 4.842 4.527 -0.000 0.000 0.356 203 F C -1.683 174.102 175.800 -0.025 0.000 1.100 203 F CA -2.142 55.850 58.000 -0.014 0.000 1.220 203 F CB 0.158 39.156 39.000 -0.004 0.000 1.506 203 F HN -0.215 nan 8.300 nan 0.000 0.512 204 P HA -0.107 nan 4.420 nan 0.000 0.210 204 P C -0.108 177.208 177.300 0.026 0.000 1.191 204 P CA 1.241 64.359 63.100 0.030 0.000 0.917 204 P CB 0.206 31.898 31.700 -0.012 0.000 0.778 205 D N 0.147 120.550 120.400 0.004 0.000 2.399 205 D HA 0.104 4.744 4.640 -0.000 0.000 0.241 205 D C -2.019 174.273 176.300 -0.013 0.000 1.133 205 D CA -0.748 53.241 54.000 -0.020 0.000 0.890 205 D CB -0.675 40.094 40.800 -0.051 0.000 1.201 205 D HN 0.075 nan 8.370 nan 0.000 0.432 206 P HA 0.068 nan 4.420 nan 0.000 0.270 206 P C -0.626 176.613 177.300 -0.102 0.000 1.223 206 P CA -0.305 62.762 63.100 -0.055 0.000 0.785 206 P CB 0.641 32.306 31.700 -0.058 0.000 0.923 207 V N 1.593 121.420 119.914 -0.145 0.000 2.326 207 V HA 0.255 4.375 4.120 -0.000 0.000 0.281 207 V C 0.751 176.636 176.094 -0.347 0.000 1.015 207 V CA -0.565 61.556 62.300 -0.298 0.000 0.823 207 V CB 0.606 32.192 31.823 -0.395 0.000 1.009 207 V HN 0.714 nan 8.190 nan 0.000 0.436 208 T N 2.100 116.472 114.554 -0.303 0.000 2.788 208 T HA 0.330 4.680 4.350 -0.000 0.000 0.287 208 T C 1.220 175.758 174.700 -0.270 0.000 1.007 208 T CA -0.275 61.696 62.100 -0.215 0.000 1.005 208 T CB 0.998 69.783 68.868 -0.139 0.000 1.012 208 T HN 0.363 nan 8.240 nan 0.000 0.530 209 L N 0.187 121.340 121.223 -0.117 0.000 2.141 209 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 209 L C 2.079 178.885 176.870 -0.108 0.000 1.094 209 L CA 1.544 56.333 54.840 -0.085 0.000 0.763 209 L CB -0.517 41.449 42.059 -0.155 0.000 0.908 209 L HN 0.763 nan 8.230 nan 0.000 0.437 210 D N -0.245 120.139 120.400 -0.027 0.000 2.218 210 D HA -0.198 4.442 4.640 -0.000 0.000 0.204 210 D C 1.710 178.112 176.300 0.170 0.000 0.976 210 D CA 1.016 55.089 54.000 0.122 0.000 0.853 210 D CB -0.007 40.845 40.800 0.086 0.000 0.939 210 D HN 0.312 nan 8.370 nan 0.000 0.481 211 D N -0.457 119.929 120.400 -0.024 0.000 2.117 211 D HA -0.101 4.539 4.640 -0.000 0.000 0.198 211 D C 1.905 178.329 176.300 0.207 0.000 0.982 211 D CA 0.637 54.628 54.000 -0.014 0.000 0.828 211 D CB -0.258 40.368 40.800 -0.289 0.000 0.967 211 D HN 0.301 nan 8.370 nan 0.000 0.464 212 F N 0.375 120.429 119.950 0.174 0.000 2.075 212 F HA -0.101 4.425 4.527 -0.000 0.000 0.297 212 F C 2.428 178.467 175.800 0.398 0.000 1.113 212 F CA 0.719 58.830 58.000 0.186 0.000 1.218 212 F CB -0.471 38.501 39.000 -0.048 0.000 0.984 212 F HN -0.098 nan 8.300 nan 0.000 0.472 213 F N -1.575 118.642 119.950 0.446 0.000 2.333 213 F HA -0.247 4.280 4.527 -0.000 0.000 0.300 213 F C 2.167 178.284 175.800 0.529 0.000 1.083 213 F CA 0.288 58.511 58.000 0.372 0.000 1.395 213 F CB -0.375 38.768 39.000 0.239 0.000 1.056 213 F HN 0.204 nan 8.300 nan 0.000 0.529 214 W N 1.173 122.793 121.300 0.533 0.000 2.413 214 W HA -0.125 4.535 4.660 -0.000 0.000 0.315 214 W C 2.436 179.166 176.519 0.352 0.000 1.186 214 W CA 1.829 59.415 57.345 0.403 0.000 1.326 214 W CB -0.749 28.832 29.460 0.202 0.000 1.153 214 W HN -0.110 nan 8.180 nan 0.000 0.489 215 A N 0.054 123.028 122.820 0.255 0.000 1.908 215 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 215 A C 2.028 179.655 177.584 0.071 0.000 1.181 215 A CA 1.714 53.716 52.037 -0.057 0.000 0.627 215 A CB -1.608 17.570 19.000 0.296 0.000 0.818 215 A HN 0.539 nan 8.150 nan 0.000 0.445 216 F N 1.180 121.238 119.950 0.180 0.000 2.126 216 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 216 F C 2.290 178.093 175.800 0.005 0.000 1.096 216 F CA 1.545 59.633 58.000 0.146 0.000 1.255 216 F CB -0.652 38.485 39.000 0.229 0.000 0.997 216 F HN 0.200 nan 8.300 nan 0.000 0.479 217 G N 0.812 109.678 108.800 0.110 0.000 2.422 217 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 217 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 217 G C 1.635 176.448 174.900 -0.145 0.000 1.146 217 G CA 0.994 46.112 45.100 0.031 0.000 0.769 217 G HN 0.329 nan 8.290 nan 0.000 0.547 218 I N 0.420 120.836 120.570 -0.257 0.000 2.142 218 I HA -0.059 4.111 4.170 -0.000 0.000 0.240 218 I C 2.737 178.715 176.117 -0.232 0.000 1.078 218 I CA 0.634 61.760 61.300 -0.289 0.000 1.343 218 I CB -1.208 36.507 38.000 -0.475 0.000 1.046 218 I HN 0.056 nan 8.210 nan 0.000 0.405 219 L N 0.562 121.639 121.223 -0.243 0.000 2.013 219 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 219 L C 2.727 179.399 176.870 -0.329 0.000 1.073 219 L CA 1.800 56.500 54.840 -0.234 0.000 0.753 219 L CB -0.799 41.147 42.059 -0.189 0.000 0.890 219 L HN 0.190 nan 8.230 nan 0.000 0.432 220 R N -1.004 119.207 120.500 -0.481 0.000 2.073 220 R HA -0.025 4.315 4.340 -0.000 0.000 0.229 220 R C 2.268 178.317 176.300 -0.418 0.000 1.120 220 R CA 1.472 57.255 56.100 -0.528 0.000 0.967 220 R CB -0.566 29.308 30.300 -0.708 0.000 0.862 220 R HN 0.578 nan 8.270 nan 0.000 0.436 221 S N 0.293 115.838 115.700 -0.258 0.000 2.528 221 S HA -0.006 4.464 4.470 -0.000 0.000 0.219 221 S C 1.545 176.160 174.600 0.025 0.000 0.985 221 S CA 0.163 58.352 58.200 -0.019 0.000 0.914 221 S CB 0.139 63.395 63.200 0.093 0.000 0.776 221 S HN 0.427 nan 8.310 nan 0.000 0.526 222 R N -0.017 120.391 120.500 -0.154 0.000 2.582 222 R HA 0.552 4.892 4.340 -0.000 0.000 0.285 222 R C 0.424 176.454 176.300 -0.450 0.000 0.940 222 R CA 0.155 56.084 56.100 -0.285 0.000 1.072 222 R CB -0.063 30.145 30.300 -0.154 0.000 1.527 222 R HN 0.229 nan 8.270 nan 0.000 0.538 223 A N 1.878 124.510 122.820 -0.313 0.000 2.440 223 A HA 0.454 4.773 4.320 -0.000 0.000 0.251 223 A C -0.684 176.718 177.584 -0.305 0.000 1.089 223 A CA -0.166 51.717 52.037 -0.258 0.000 0.779 223 A CB -0.133 18.779 19.000 -0.147 0.000 1.022 223 A HN 0.227 nan 8.150 nan 0.000 0.492 224 F N 1.436 121.297 119.950 -0.148 0.000 2.375 224 F HA 0.369 4.896 4.527 -0.000 0.000 0.333 224 F C 1.464 177.252 175.800 -0.021 0.000 1.104 224 F CA 0.734 58.699 58.000 -0.059 0.000 1.149 224 F CB 1.729 40.706 39.000 -0.038 0.000 1.190 224 F HN 0.590 nan 8.300 nan 0.000 0.533 225 S N 0.009 115.838 115.700 0.215 0.000 2.733 225 S HA 0.208 4.678 4.470 -0.000 0.000 0.247 225 S C 1.384 176.067 174.600 0.138 0.000 1.043 225 S CA -0.524 57.754 58.200 0.129 0.000 1.066 225 S CB 0.109 63.348 63.200 0.064 0.000 1.045 225 S HN 0.529 nan 8.310 nan 0.000 0.586 226 R N 1.972 122.591 120.500 0.199 0.000 2.070 226 R HA 0.249 4.589 4.340 -0.000 0.000 0.233 226 R C 0.686 177.028 176.300 0.069 0.000 1.137 226 R CA 0.705 56.881 56.100 0.126 0.000 0.945 226 R CB -1.216 29.161 30.300 0.127 0.000 0.845 226 R HN 0.439 nan 8.270 nan 0.000 0.430 227 L N 2.741 124.021 121.223 0.095 0.000 2.613 227 L HA -0.141 4.199 4.340 -0.000 0.000 0.304 227 L C 0.812 177.715 176.870 0.056 0.000 1.266 227 L CA 0.306 55.184 54.840 0.063 0.000 0.868 227 L CB -0.035 42.098 42.059 0.124 0.000 1.111 227 L HN 0.377 nan 8.230 nan 0.000 0.515 228 R N 2.657 123.181 120.500 0.041 0.000 2.459 228 R HA 0.264 4.604 4.340 -0.000 0.000 0.281 228 R C 0.123 176.459 176.300 0.059 0.000 1.050 228 R CA -0.615 55.507 56.100 0.037 0.000 1.055 228 R CB 0.730 31.041 30.300 0.018 0.000 1.045 228 R HN 0.760 nan 8.270 nan 0.000 0.495 229 N N -0.573 118.159 118.700 0.055 0.000 2.900 229 N HA -0.161 4.579 4.740 -0.000 0.000 0.240 229 N C -1.023 174.539 175.510 0.085 0.000 0.953 229 N CA 1.807 54.897 53.050 0.066 0.000 0.950 229 N CB -0.475 38.056 38.487 0.073 0.000 1.102 229 N HN 0.774 nan 8.380 nan 0.000 0.593 230 E N -0.261 119.992 120.200 0.089 0.000 2.356 230 E HA 0.355 4.705 4.350 -0.000 0.000 0.275 230 E C 0.460 177.109 176.600 0.082 0.000 0.904 230 E CA -0.512 55.948 56.400 0.099 0.000 0.757 230 E CB 1.335 31.114 29.700 0.131 0.000 1.232 230 E HN 0.289 nan 8.360 nan 0.000 0.442 231 N N 1.305 120.050 118.700 0.075 0.000 2.075 231 N HA 0.086 4.826 4.740 -0.000 0.000 0.226 231 N C -0.195 175.347 175.510 0.053 0.000 1.343 231 N CA -0.132 52.955 53.050 0.062 0.000 0.881 231 N CB 1.213 39.731 38.487 0.052 0.000 1.100 231 N HN 0.253 nan 8.380 nan 0.000 0.495 232 L N 1.658 122.913 121.223 0.054 0.000 2.518 232 L HA 0.559 4.899 4.340 -0.000 0.000 0.262 232 L C -1.820 175.060 176.870 0.016 0.000 0.982 232 L CA -0.624 54.236 54.840 0.033 0.000 0.873 232 L CB 1.758 43.849 42.059 0.053 0.000 1.198 232 L HN -0.116 nan 8.230 nan 0.000 0.427 233 V N 5.188 125.092 119.914 -0.017 0.000 2.612 233 V HA 0.441 4.561 4.120 -0.000 0.000 0.301 233 V C -0.454 175.560 176.094 -0.134 0.000 1.059 233 V CA -0.773 61.465 62.300 -0.102 0.000 0.886 233 V CB 2.135 33.813 31.823 -0.242 0.000 1.007 233 V HN 0.316 nan 8.190 nan 0.000 0.426 234 V N 5.637 125.461 119.914 -0.150 0.000 2.461 234 V HA 0.431 4.551 4.120 -0.000 0.000 0.275 234 V C -0.122 175.816 176.094 -0.261 0.000 1.047 234 V CA -0.239 61.972 62.300 -0.148 0.000 0.955 234 V CB 1.707 33.460 31.823 -0.117 0.000 0.988 234 V HN 0.638 nan 8.190 nan 0.000 0.471 235 V N 7.851 127.630 119.914 -0.225 0.000 2.409 235 V HA 0.290 4.409 4.120 -0.000 0.000 0.290 235 V C -1.740 174.279 176.094 -0.126 0.000 1.017 235 V CA -1.493 60.582 62.300 -0.375 0.000 0.841 235 V CB 1.405 32.629 31.823 -1.000 0.000 1.003 235 V HN 0.626 nan 8.190 nan 0.000 0.426 236 P HA -0.289 nan 4.420 nan 0.000 0.225 236 P C 1.910 179.457 177.300 0.411 0.000 0.928 236 P CA 1.463 64.621 63.100 0.097 0.000 1.055 236 P CB 0.056 31.912 31.700 0.259 0.000 0.635 237 M N -1.090 118.772 119.600 0.437 0.000 2.128 237 M HA -0.332 4.148 4.480 -0.000 0.000 0.253 237 M C 1.833 178.339 176.300 0.342 0.000 1.079 237 M CA 2.751 58.304 55.300 0.422 0.000 1.082 237 M CB -0.792 31.885 32.600 0.128 0.000 1.335 237 M HN 0.030 nan 8.290 nan 0.000 0.401 238 A N 1.034 123.988 122.820 0.222 0.000 1.892 238 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 238 A C 1.447 179.300 177.584 0.448 0.000 1.188 238 A CA 2.279 54.465 52.037 0.249 0.000 0.631 238 A CB -1.275 17.680 19.000 -0.074 0.000 0.822 238 A HN 0.821 nan 8.150 nan 0.000 0.447 239 D N -0.005 120.650 120.400 0.425 0.000 2.390 239 D HA -0.038 4.602 4.640 -0.000 0.000 0.235 239 D C 1.214 177.648 176.300 0.222 0.000 1.040 239 D CA 0.422 54.582 54.000 0.266 0.000 0.923 239 D CB -0.602 40.270 40.800 0.119 0.000 0.886 239 D HN 0.509 nan 8.370 nan 0.000 0.532 240 L N -0.592 120.799 121.223 0.279 0.000 2.418 240 L HA 0.160 4.500 4.340 -0.000 0.000 0.218 240 L C 1.050 178.040 176.870 0.200 0.000 1.125 240 L CA -0.406 54.572 54.840 0.229 0.000 0.835 240 L CB -0.201 42.028 42.059 0.283 0.000 0.953 240 L HN 0.073 nan 8.230 nan 0.000 0.454 241 I N 0.911 121.624 120.570 0.238 0.000 2.775 241 I HA -0.076 4.094 4.170 -0.000 0.000 0.290 241 I C 0.397 176.662 176.117 0.246 0.000 1.203 241 I CA 0.531 61.956 61.300 0.208 0.000 1.433 241 I CB 0.145 38.304 38.000 0.265 0.000 1.354 241 I HN 0.131 nan 8.210 nan 0.000 0.579 242 N N 4.536 123.315 118.700 0.132 0.000 2.518 242 N HA 0.267 5.006 4.740 -0.000 0.000 0.284 242 N C -1.148 174.365 175.510 0.004 0.000 1.230 242 N CA -0.603 52.523 53.050 0.127 0.000 0.941 242 N CB 0.794 39.334 38.487 0.088 0.000 1.219 242 N HN 0.686 nan 8.380 nan 0.000 0.560 243 H N -1.030 117.707 119.070 -0.555 0.000 2.472 243 H HA 0.512 5.067 4.556 -0.000 0.000 0.335 243 H C -0.896 174.089 175.328 -0.573 0.000 1.136 243 H CA -0.229 55.335 56.048 -0.806 0.000 1.264 243 H CB 0.875 29.796 29.762 -1.402 0.000 1.486 243 H HN 0.334 nan 8.280 nan 0.000 0.517 244 S N 2.859 117.817 115.700 -1.237 0.000 2.572 244 S HA 0.493 4.963 4.470 -0.000 0.000 0.274 244 S C 0.373 174.473 174.600 -0.835 0.000 1.150 244 S CA -0.131 57.451 58.200 -1.030 0.000 0.944 244 S CB 0.999 63.489 63.200 -1.183 0.000 1.071 244 S HN 0.922 nan 8.310 nan 0.000 0.479 245 A N 3.439 125.995 122.820 -0.441 0.000 2.209 245 A HA 0.248 4.568 4.320 -0.000 0.000 0.212 245 A C 1.845 179.316 177.584 -0.188 0.000 1.158 245 A CA 1.285 53.208 52.037 -0.190 0.000 0.742 245 A CB -0.933 18.039 19.000 -0.048 0.000 0.790 245 A HN 1.124 nan 8.150 nan 0.000 0.472 246 G N -0.673 107.968 108.800 -0.265 0.000 2.448 246 G HA2 0.159 4.119 3.960 -0.000 0.000 0.218 246 G HA3 0.159 4.119 3.960 -0.000 0.000 0.218 246 G C 0.545 175.365 174.900 -0.134 0.000 1.135 246 G CA 0.727 45.720 45.100 -0.178 0.000 0.784 246 G HN 0.273 nan 8.290 nan 0.000 0.543 247 V N 1.711 121.518 119.914 -0.179 0.000 2.432 247 V HA 0.303 4.423 4.120 -0.000 0.000 0.271 247 V C 1.318 177.382 176.094 -0.050 0.000 1.046 247 V CA 0.612 62.857 62.300 -0.093 0.000 0.945 247 V CB 1.183 32.951 31.823 -0.092 0.000 0.992 247 V HN 0.364 nan 8.190 nan 0.000 0.471 248 T N -0.242 114.308 114.554 -0.007 0.000 3.054 248 T HA 0.140 4.490 4.350 -0.000 0.000 0.255 248 T C 0.601 175.326 174.700 0.041 0.000 1.035 248 T CA 0.375 62.484 62.100 0.016 0.000 0.941 248 T CB 0.073 68.945 68.868 0.008 0.000 1.026 248 T HN 0.730 nan 8.240 nan 0.000 0.533 249 T N -0.955 113.635 114.554 0.060 0.000 2.930 249 T HA 0.562 4.912 4.350 -0.000 0.000 0.290 249 T C -0.199 174.586 174.700 0.141 0.000 1.052 249 T CA -0.855 61.292 62.100 0.078 0.000 1.017 249 T CB 2.302 71.207 68.868 0.062 0.000 1.137 249 T HN 0.137 nan 8.240 nan 0.000 0.511 250 E N -0.033 120.250 120.200 0.139 0.000 2.651 250 E HA 0.144 4.494 4.350 -0.000 0.000 0.208 250 E C -0.852 175.773 176.600 0.041 0.000 0.997 250 E CA -0.200 56.330 56.400 0.218 0.000 1.020 250 E CB 0.415 30.222 29.700 0.178 0.000 1.052 250 E HN 0.680 nan 8.360 nan 0.000 0.465 251 D N 1.163 121.589 120.400 0.043 0.000 2.500 251 D HA 0.010 4.649 4.640 -0.000 0.000 0.219 251 D C 0.657 176.955 176.300 -0.004 0.000 1.137 251 D CA -0.101 53.863 54.000 -0.061 0.000 0.946 251 D CB 0.055 40.844 40.800 -0.019 0.000 1.022 251 D HN 0.279 nan 8.370 nan 0.000 0.518 252 H N 1.452 120.561 119.070 0.065 0.000 3.680 252 H HA 0.469 5.025 4.556 -0.000 0.000 0.260 252 H C -0.338 174.998 175.328 0.012 0.000 1.183 252 H CA -0.488 55.601 56.048 0.069 0.000 1.159 252 H CB 0.091 29.919 29.762 0.110 0.000 1.567 252 H HN 0.241 nan 8.280 nan 0.000 0.648 253 A N 0.971 123.611 122.820 -0.299 0.000 2.437 253 A HA 0.749 5.068 4.320 -0.000 0.000 0.292 253 A C -1.558 175.895 177.584 -0.219 0.000 1.173 253 A CA -0.562 51.247 52.037 -0.380 0.000 0.785 253 A CB 2.027 20.677 19.000 -0.584 0.000 1.351 253 A HN 0.498 nan 8.150 nan 0.000 0.431 254 Y N -2.132 117.868 120.300 -0.501 0.000 2.879 254 Y HA 0.510 5.060 4.550 -0.000 0.000 0.385 254 Y C -1.316 174.386 175.900 -0.330 0.000 1.153 254 Y CA -0.942 56.960 58.100 -0.330 0.000 1.245 254 Y CB 0.181 38.513 38.460 -0.213 0.000 1.472 254 Y HN 0.820 nan 8.280 nan 0.000 0.490 255 E N 1.298 121.432 120.200 -0.110 0.000 2.299 255 E HA 0.758 5.108 4.350 -0.000 0.000 0.265 255 E C -1.647 174.955 176.600 0.002 0.000 0.911 255 E CA -1.568 54.747 56.400 -0.141 0.000 0.789 255 E CB 3.294 32.978 29.700 -0.026 0.000 1.246 255 E HN 0.446 nan 8.360 nan 0.000 0.427 256 V N 2.272 122.161 119.914 -0.042 0.000 2.304 256 V HA 0.248 4.368 4.120 -0.000 0.000 0.278 256 V C -0.077 175.911 176.094 -0.176 0.000 1.018 256 V CA -0.524 61.756 62.300 -0.034 0.000 0.814 256 V CB 0.420 32.251 31.823 0.013 0.000 1.021 256 V HN 0.594 nan 8.190 nan 0.000 0.440 257 K N 2.606 122.778 120.400 -0.381 0.000 2.415 257 K HA 0.530 4.850 4.320 -0.000 0.000 0.275 257 K C 1.743 177.933 176.600 -0.683 0.000 1.019 257 K CA -0.226 55.437 56.287 -1.040 0.000 1.173 257 K CB 0.312 32.196 32.500 -1.027 0.000 1.602 257 K HN 0.492 nan 8.250 nan 0.000 0.717 258 G N 0.704 109.100 108.800 -0.674 0.000 2.475 258 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 258 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 258 G C 1.510 176.338 174.900 -0.120 0.000 1.125 258 G CA 1.334 46.346 45.100 -0.147 0.000 0.755 258 G HN 0.552 nan 8.290 nan 0.000 0.565 259 A N 0.900 123.634 122.820 -0.145 0.000 1.997 259 A HA 0.154 4.474 4.320 -0.000 0.000 0.221 259 A C 2.534 180.067 177.584 -0.086 0.000 1.172 259 A CA 2.232 54.211 52.037 -0.097 0.000 0.645 259 A CB -0.489 18.454 19.000 -0.094 0.000 0.813 259 A HN 0.966 nan 8.150 nan 0.000 0.454 260 A N -1.821 120.939 122.820 -0.099 0.000 2.337 260 A HA 0.444 4.764 4.320 -0.000 0.000 0.227 260 A C 1.628 179.157 177.584 -0.092 0.000 1.259 260 A CA 1.011 53.000 52.037 -0.081 0.000 0.870 260 A CB -1.046 17.913 19.000 -0.069 0.000 0.927 260 A HN 1.946 nan 8.150 nan 0.000 0.497 261 G N -0.755 107.984 108.800 -0.101 0.000 2.176 261 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.252 261 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.252 261 G C 0.041 174.803 174.900 -0.230 0.000 1.024 261 G CA 0.563 45.579 45.100 -0.141 0.000 0.755 261 G HN 0.457 nan 8.290 nan 0.000 0.507 262 L N -1.145 119.985 121.223 -0.155 0.000 2.400 262 L HA 0.728 5.068 4.340 -0.000 0.000 0.264 262 L C 0.914 177.636 176.870 -0.246 0.000 1.061 262 L CA -1.241 53.476 54.840 -0.204 0.000 0.799 262 L CB 0.846 42.913 42.059 0.015 0.000 1.240 262 L HN 0.081 nan 8.230 nan 0.000 0.461 263 F N -0.691 119.022 119.950 -0.396 0.000 2.371 263 F HA 0.067 4.594 4.527 -0.000 0.000 0.329 263 F C 1.630 176.668 175.800 -1.270 0.000 1.107 263 F CA -0.351 57.092 58.000 -0.929 0.000 1.137 263 F CB 1.633 39.651 39.000 -1.636 0.000 1.214 263 F HN 0.669 nan 8.300 nan 0.000 0.536 264 S N 1.494 116.442 115.700 -1.254 0.000 2.365 264 S HA -0.287 4.183 4.470 -0.000 0.000 0.225 264 S C 1.484 175.406 174.600 -1.131 0.000 1.039 264 S CA 1.592 58.728 58.200 -1.772 0.000 1.033 264 S CB -1.042 61.670 63.200 -0.813 0.000 0.887 264 S HN 0.853 nan 8.310 nan 0.000 0.447 265 W N 1.830 122.870 121.300 -0.433 0.000 2.848 265 W HA 0.353 5.013 4.660 -0.000 0.000 0.241 265 W C 0.418 176.783 176.519 -0.257 0.000 1.289 265 W CA 0.274 57.427 57.345 -0.320 0.000 1.396 265 W CB -0.388 28.945 29.460 -0.212 0.000 1.138 265 W HN 0.145 nan 8.180 nan 0.000 0.677 266 D N -0.872 119.306 120.400 -0.370 0.000 2.469 266 D HA -0.024 4.616 4.640 -0.000 0.000 0.215 266 D C 0.011 176.303 176.300 -0.015 0.000 1.154 266 D CA -0.226 53.709 54.000 -0.109 0.000 0.832 266 D CB -0.160 40.608 40.800 -0.053 0.000 1.008 266 D HN -0.040 nan 8.370 nan 0.000 0.506 267 Y N 1.088 121.283 120.300 -0.175 0.000 2.702 267 Y HA 0.088 4.638 4.550 -0.000 0.000 0.336 267 Y C 1.016 176.908 175.900 -0.013 0.000 1.235 267 Y CA -0.139 57.906 58.100 -0.092 0.000 1.492 267 Y CB 0.167 38.590 38.460 -0.062 0.000 1.308 267 Y HN -0.178 nan 8.280 nan 0.000 0.589 268 L N 4.339 125.690 121.223 0.214 0.000 2.307 268 L HA 0.338 4.678 4.340 -0.000 0.000 0.284 268 L C -0.566 176.451 176.870 0.245 0.000 1.023 268 L CA -0.659 54.314 54.840 0.222 0.000 0.810 268 L CB 1.068 43.165 42.059 0.063 0.000 1.231 268 L HN 0.473 nan 8.230 nan 0.000 0.423 269 F N 2.642 122.752 119.950 0.267 0.000 2.375 269 F HA 0.375 4.902 4.527 -0.000 0.000 0.362 269 F C 0.005 175.668 175.800 -0.228 0.000 1.129 269 F CA -0.133 57.817 58.000 -0.083 0.000 1.154 269 F CB 0.800 39.545 39.000 -0.425 0.000 1.205 269 F HN 0.386 nan 8.300 nan 0.000 0.513 270 S N 7.058 122.348 115.700 -0.684 0.000 2.454 270 S HA 0.568 5.038 4.470 -0.000 0.000 0.306 270 S C -1.054 173.189 174.600 -0.595 0.000 1.100 270 S CA -0.641 57.190 58.200 -0.615 0.000 1.087 270 S CB 1.719 64.321 63.200 -0.997 0.000 1.019 270 S HN 0.626 nan 8.310 nan 0.000 0.480 271 L N 3.771 124.868 121.223 -0.211 0.000 2.296 271 L HA 0.512 4.852 4.340 -0.000 0.000 0.286 271 L C -0.508 176.397 176.870 0.058 0.000 1.023 271 L CA -0.095 54.724 54.840 -0.036 0.000 0.812 271 L CB 0.838 42.962 42.059 0.109 0.000 1.223 271 L HN 0.564 nan 8.230 nan 0.000 0.421 272 K N 2.018 122.491 120.400 0.123 0.000 2.185 272 K HA 0.529 4.849 4.320 -0.000 0.000 0.240 272 K C -0.637 176.052 176.600 0.148 0.000 0.983 272 K CA -0.775 55.596 56.287 0.140 0.000 0.873 272 K CB 1.734 34.326 32.500 0.152 0.000 1.118 272 K HN 0.480 nan 8.250 nan 0.000 0.441 273 S N 2.286 118.054 115.700 0.114 0.000 2.423 273 S HA 0.208 4.678 4.470 -0.000 0.000 0.317 273 S C -1.592 173.065 174.600 0.095 0.000 1.065 273 S CA -1.914 56.347 58.200 0.102 0.000 1.111 273 S CB 0.546 63.792 63.200 0.076 0.000 0.968 273 S HN 0.370 nan 8.310 nan 0.000 0.474 274 P HA -0.060 nan 4.420 nan 0.000 0.218 274 P C 0.121 177.458 177.300 0.061 0.000 1.148 274 P CA 0.936 64.090 63.100 0.091 0.000 0.822 274 P CB 0.113 31.880 31.700 0.111 0.000 0.784 275 L N -1.487 119.771 121.223 0.059 0.000 2.304 275 L HA 0.356 4.696 4.340 -0.000 0.000 0.268 275 L C 0.516 177.413 176.870 0.044 0.000 1.010 275 L CA -1.066 53.801 54.840 0.044 0.000 0.813 275 L CB 1.397 43.481 42.059 0.041 0.000 1.315 275 L HN -0.333 nan 8.230 nan 0.000 0.445 276 S N 0.411 116.131 115.700 0.034 0.000 2.513 276 S HA 0.512 4.982 4.470 -0.000 0.000 0.276 276 S C -0.425 174.195 174.600 0.033 0.000 1.254 276 S CA -0.541 57.678 58.200 0.031 0.000 1.053 276 S CB 1.334 64.548 63.200 0.023 0.000 0.958 276 S HN 0.266 nan 8.310 nan 0.000 0.491 277 V N 4.643 124.577 119.914 0.032 0.000 2.531 277 V HA 0.367 4.487 4.120 -0.000 0.000 0.301 277 V C -0.151 175.957 176.094 0.022 0.000 1.034 277 V CA -1.087 61.230 62.300 0.030 0.000 0.865 277 V CB 1.763 33.602 31.823 0.027 0.000 0.995 277 V HN 0.670 nan 8.190 nan 0.000 0.424 278 K N 2.537 122.949 120.400 0.019 0.000 2.219 278 K HA 0.560 4.880 4.320 -0.000 0.000 0.258 278 K C 0.475 177.082 176.600 0.012 0.000 1.008 278 K CA -0.136 56.160 56.287 0.015 0.000 0.928 278 K CB 1.042 33.550 32.500 0.013 0.000 0.983 278 K HN 0.845 nan 8.250 nan 0.000 0.484 279 A N 0.472 123.299 122.820 0.011 0.000 2.540 279 A HA 0.367 4.687 4.320 -0.000 0.000 0.239 279 A C 1.311 178.897 177.584 0.003 0.000 1.061 279 A CA 1.071 53.113 52.037 0.009 0.000 0.758 279 A CB -0.669 18.336 19.000 0.010 0.000 0.991 279 A HN 0.895 nan 8.150 nan 0.000 0.502 280 G N 1.468 110.266 108.800 -0.003 0.000 2.268 280 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.240 280 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.240 280 G C 0.128 175.019 174.900 -0.015 0.000 1.010 280 G CA 0.476 45.570 45.100 -0.010 0.000 0.618 280 G HN 0.875 nan 8.290 nan 0.000 0.516 281 E N 0.500 120.694 120.200 -0.010 0.000 2.314 281 E HA 0.484 4.834 4.350 -0.000 0.000 0.262 281 E C 0.300 176.870 176.600 -0.050 0.000 1.093 281 E CA -0.523 55.869 56.400 -0.012 0.000 0.908 281 E CB 0.827 30.535 29.700 0.012 0.000 1.091 281 E HN 0.428 nan 8.360 nan 0.000 0.425 282 Q N 1.182 120.925 119.800 -0.095 0.000 2.299 282 Q HA 0.270 4.610 4.340 -0.000 0.000 0.246 282 Q C -0.839 174.981 176.000 -0.300 0.000 0.935 282 Q CA -0.686 54.958 55.803 -0.265 0.000 0.887 282 Q CB 1.165 29.608 28.738 -0.490 0.000 1.223 282 Q HN 0.403 nan 8.270 nan 0.000 0.439 283 V N 1.599 121.339 119.914 -0.290 0.000 2.427 283 V HA 0.541 4.661 4.120 -0.000 0.000 0.286 283 V C -1.226 174.709 176.094 -0.265 0.000 1.034 283 V CA -0.524 61.682 62.300 -0.156 0.000 0.893 283 V CB 0.433 32.236 31.823 -0.033 0.000 0.982 283 V HN 0.742 nan 8.190 nan 0.000 0.452 284 Y N 4.466 124.745 120.300 -0.035 0.000 2.630 284 Y HA 0.820 5.370 4.550 -0.000 0.000 0.337 284 Y C 0.365 176.215 175.900 -0.083 0.000 1.051 284 Y CA -0.851 57.198 58.100 -0.085 0.000 1.121 284 Y CB 2.140 40.496 38.460 -0.173 0.000 1.299 284 Y HN 0.896 nan 8.280 nan 0.000 0.498 285 I N -1.077 119.534 120.570 0.070 0.000 3.322 285 I HA 0.694 4.864 4.170 -0.000 0.000 0.313 285 I C -1.356 174.700 176.117 -0.102 0.000 1.129 285 I CA -1.482 59.792 61.300 -0.043 0.000 0.963 285 I CB 2.113 39.965 38.000 -0.247 0.000 1.273 285 I HN 0.424 nan 8.210 nan 0.000 0.473 286 Q N 0.797 120.587 119.800 -0.017 0.000 2.347 286 Q HA 0.386 4.726 4.340 -0.000 0.000 0.262 286 Q C -0.775 175.438 176.000 0.354 0.000 0.980 286 Q CA -0.251 55.590 55.803 0.063 0.000 0.867 286 Q CB 0.907 29.707 28.738 0.104 0.000 1.242 286 Q HN 0.730 nan 8.270 nan 0.000 0.453 287 Y N 1.912 122.424 120.300 0.353 0.000 2.274 287 Y HA -0.053 4.497 4.550 -0.000 0.000 0.290 287 Y C 0.389 176.408 175.900 0.197 0.000 1.145 287 Y CA 0.616 58.825 58.100 0.182 0.000 1.203 287 Y CB 0.829 39.249 38.460 -0.068 0.000 0.984 287 Y HN 0.576 nan 8.280 nan 0.000 0.533 288 D N -1.275 119.355 120.400 0.383 0.000 2.198 288 D HA 0.019 4.659 4.640 -0.000 0.000 0.147 288 D C -0.069 176.357 176.300 0.210 0.000 1.149 288 D CA -0.061 54.096 54.000 0.261 0.000 1.107 288 D CB -0.016 40.926 40.800 0.236 0.000 2.198 288 D HN 0.060 nan 8.370 nan 0.000 0.584 289 L N 2.270 123.592 121.223 0.165 0.000 2.187 289 L HA -0.127 4.213 4.340 -0.000 0.000 0.213 289 L C 1.849 178.757 176.870 0.064 0.000 1.100 289 L CA 0.939 55.847 54.840 0.113 0.000 0.765 289 L CB -0.164 41.941 42.059 0.077 0.000 0.904 289 L HN 0.319 nan 8.230 nan 0.000 0.437 290 N N -0.501 118.233 118.700 0.056 0.000 2.415 290 N HA -0.016 4.724 4.740 -0.000 0.000 0.176 290 N C 0.643 176.203 175.510 0.083 0.000 1.042 290 N CA 0.323 53.371 53.050 -0.002 0.000 0.902 290 N CB 0.081 38.565 38.487 -0.005 0.000 0.986 290 N HN 0.134 nan 8.380 nan 0.000 0.447 291 K N 1.577 122.062 120.400 0.142 0.000 2.469 291 K HA 0.043 4.363 4.320 -0.000 0.000 0.274 291 K C 0.514 177.281 176.600 0.278 0.000 0.983 291 K CA -0.021 56.373 56.287 0.179 0.000 0.974 291 K CB 0.468 33.047 32.500 0.133 0.000 0.913 291 K HN 0.134 nan 8.250 nan 0.000 0.493 292 S N 1.658 117.522 115.700 0.273 0.000 2.693 292 S HA 0.235 4.705 4.470 -0.000 0.000 0.276 292 S C 0.856 175.497 174.600 0.068 0.000 1.192 292 S CA -0.761 57.567 58.200 0.213 0.000 0.994 292 S CB 1.083 64.214 63.200 -0.115 0.000 1.012 292 S HN 0.538 nan 8.310 nan 0.000 0.550 293 N N 1.099 119.830 118.700 0.053 0.000 2.149 293 N HA -0.118 4.622 4.740 -0.000 0.000 0.188 293 N C 2.003 177.495 175.510 -0.030 0.000 1.019 293 N CA 1.533 54.600 53.050 0.029 0.000 0.857 293 N CB -1.109 37.433 38.487 0.092 0.000 0.997 293 N HN 0.821 nan 8.380 nan 0.000 0.426 294 A N 1.424 124.212 122.820 -0.053 0.000 1.917 294 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 294 A C 2.091 179.581 177.584 -0.157 0.000 1.182 294 A CA 1.608 53.575 52.037 -0.115 0.000 0.633 294 A CB -0.481 18.428 19.000 -0.152 0.000 0.819 294 A HN 0.409 nan 8.150 nan 0.000 0.448 295 E N -0.315 119.806 120.200 -0.133 0.000 2.072 295 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 295 E C 1.947 178.414 176.600 -0.221 0.000 0.982 295 E CA 0.819 57.119 56.400 -0.167 0.000 0.803 295 E CB -0.271 29.371 29.700 -0.097 0.000 0.755 295 E HN 0.608 nan 8.360 nan 0.000 0.453 296 L N 0.780 121.905 121.223 -0.163 0.000 2.131 296 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 296 L C 2.538 179.185 176.870 -0.371 0.000 1.092 296 L CA 0.892 55.588 54.840 -0.240 0.000 0.759 296 L CB -0.444 41.466 42.059 -0.248 0.000 0.903 296 L HN 0.162 nan 8.230 nan 0.000 0.435 297 A N -0.154 122.510 122.820 -0.261 0.000 1.897 297 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 297 A C 2.244 179.662 177.584 -0.276 0.000 1.181 297 A CA 1.270 53.175 52.037 -0.221 0.000 0.620 297 A CB -0.528 18.374 19.000 -0.163 0.000 0.821 297 A HN 0.362 nan 8.150 nan 0.000 0.443 298 L N -0.792 120.242 121.223 -0.315 0.000 2.131 298 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 298 L C 1.685 178.330 176.870 -0.375 0.000 1.087 298 L CA 1.591 56.229 54.840 -0.336 0.000 0.767 298 L CB -0.218 41.655 42.059 -0.310 0.000 0.917 298 L HN 0.296 nan 8.230 nan 0.000 0.441 299 D N -1.282 118.804 120.400 -0.524 0.000 2.120 299 D HA -0.051 4.589 4.640 -0.000 0.000 0.202 299 D C -0.023 175.805 176.300 -0.787 0.000 0.972 299 D CA 1.228 54.752 54.000 -0.793 0.000 0.837 299 D CB -0.005 40.063 40.800 -1.220 0.000 0.989 299 D HN 0.266 nan 8.370 nan 0.000 0.469 300 Y N -1.019 119.144 120.300 -0.228 0.000 2.587 300 Y HA 0.586 5.135 4.550 -0.000 0.000 0.337 300 Y C 1.275 177.088 175.900 -0.144 0.000 1.065 300 Y CA -1.397 56.617 58.100 -0.143 0.000 1.126 300 Y CB 1.499 39.842 38.460 -0.196 0.000 1.279 300 Y HN -0.224 nan 8.280 nan 0.000 0.489 301 G N 1.374 110.322 108.800 0.248 0.000 3.717 301 G HA2 0.424 4.384 3.960 -0.000 0.000 0.258 301 G HA3 0.424 4.384 3.960 -0.000 0.000 0.258 301 G C -0.937 174.168 174.900 0.341 0.000 1.088 301 G CA 0.040 45.293 45.100 0.255 0.000 1.737 301 G HN 0.492 nan 8.290 nan 0.000 0.648 302 F N -0.836 119.225 119.950 0.186 0.000 2.926 302 F HA 0.771 5.298 4.527 -0.000 0.000 0.321 302 F C -1.236 174.628 175.800 0.107 0.000 1.168 302 F CA -2.299 55.786 58.000 0.141 0.000 0.890 302 F CB 1.044 40.107 39.000 0.104 0.000 1.357 302 F HN 0.176 nan 8.300 nan 0.000 0.468 303 I N -1.917 118.913 120.570 0.433 0.000 3.279 303 I HA 0.726 4.896 4.170 -0.000 0.000 0.315 303 I C -1.549 174.751 176.117 0.306 0.000 1.225 303 I CA -1.073 60.386 61.300 0.265 0.000 0.947 303 I CB 2.556 40.650 38.000 0.157 0.000 1.293 303 I HN 0.733 nan 8.210 nan 0.000 0.468 304 E N 1.482 121.789 120.200 0.179 0.000 2.249 304 E HA 0.405 4.754 4.350 -0.000 0.000 0.263 304 E C -2.193 174.430 176.600 0.039 0.000 0.950 304 E CA -1.697 54.772 56.400 0.114 0.000 0.827 304 E CB 1.877 31.640 29.700 0.105 0.000 1.220 304 E HN 0.463 nan 8.360 nan 0.000 0.411 305 P HA -0.031 nan 4.420 nan 0.000 0.236 305 P C -0.106 177.168 177.300 -0.043 0.000 1.177 305 P CA 0.341 63.446 63.100 0.009 0.000 0.773 305 P CB 0.179 31.891 31.700 0.019 0.000 0.878 306 N N 1.381 120.052 118.700 -0.049 0.000 2.418 306 N HA -0.089 4.651 4.740 -0.000 0.000 0.277 306 N C 1.186 176.588 175.510 -0.179 0.000 1.317 306 N CA 0.275 53.292 53.050 -0.054 0.000 0.922 306 N CB 0.141 38.627 38.487 -0.003 0.000 1.194 306 N HN 0.290 nan 8.380 nan 0.000 0.485 307 E N 2.314 122.445 120.200 -0.116 0.000 2.267 307 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 307 E C 0.283 176.921 176.600 0.062 0.000 0.998 307 E CA 0.929 57.248 56.400 -0.135 0.000 0.830 307 E CB -0.106 29.651 29.700 0.095 0.000 0.751 307 E HN 0.473 nan 8.360 nan 0.000 0.491 308 N N 0.557 119.335 118.700 0.130 0.000 2.550 308 N HA -0.023 4.717 4.740 -0.000 0.000 0.186 308 N C 1.211 176.878 175.510 0.261 0.000 1.110 308 N CA 0.388 53.575 53.050 0.229 0.000 0.912 308 N CB 0.068 38.645 38.487 0.150 0.000 0.968 308 N HN 0.225 nan 8.380 nan 0.000 0.448 309 R N 0.119 120.685 120.500 0.109 0.000 2.254 309 R HA 0.088 4.428 4.340 -0.000 0.000 0.195 309 R C -0.037 176.358 176.300 0.159 0.000 0.957 309 R CA 0.003 56.212 56.100 0.182 0.000 1.024 309 R CB -0.141 30.184 30.300 0.042 0.000 0.952 309 R HN 0.446 nan 8.270 nan 0.000 0.484 310 H N 0.310 119.466 119.070 0.144 0.000 2.975 310 H HA 0.270 4.826 4.556 -0.000 0.000 0.303 310 H C 0.041 175.342 175.328 -0.045 0.000 1.023 310 H CA -0.158 55.902 56.048 0.021 0.000 1.473 310 H CB 0.749 30.481 29.762 -0.050 0.000 1.498 310 H HN 0.173 nan 8.280 nan 0.000 0.549 311 A N 3.855 126.612 122.820 -0.105 0.000 2.556 311 A HA 0.550 4.870 4.320 -0.000 0.000 0.294 311 A C -1.977 175.532 177.584 -0.124 0.000 1.091 311 A CA -0.631 51.190 52.037 -0.361 0.000 0.704 311 A CB 1.439 19.646 19.000 -1.321 0.000 1.300 311 A HN 0.691 nan 8.150 nan 0.000 0.406 312 Y N 0.221 120.424 120.300 -0.161 0.000 2.396 312 Y HA 0.552 5.102 4.550 -0.000 0.000 0.332 312 Y C 0.073 175.956 175.900 -0.028 0.000 1.034 312 Y CA -0.072 57.990 58.100 -0.064 0.000 1.057 312 Y CB 2.139 40.596 38.460 -0.006 0.000 1.220 312 Y HN 0.824 nan 8.280 nan 0.000 0.440 313 T N 6.764 121.263 114.554 -0.092 0.000 2.799 313 T HA 0.556 4.906 4.350 -0.000 0.000 0.286 313 T C -0.858 173.965 174.700 0.205 0.000 0.973 313 T CA -0.488 61.659 62.100 0.078 0.000 1.035 313 T CB 0.155 69.022 68.868 -0.002 0.000 0.932 313 T HN 0.594 nan 8.240 nan 0.000 0.469 314 L N 4.201 125.587 121.223 0.271 0.000 2.307 314 L HA 0.488 4.828 4.340 -0.000 0.000 0.282 314 L C 0.825 177.814 176.870 0.199 0.000 1.051 314 L CA -0.884 54.099 54.840 0.238 0.000 0.804 314 L CB 1.717 43.883 42.059 0.179 0.000 1.197 314 L HN 0.672 nan 8.230 nan 0.000 0.431 315 T N 4.526 119.151 114.554 0.117 0.000 2.770 315 T HA 0.594 4.944 4.350 -0.000 0.000 0.283 315 T C -0.666 173.982 174.700 -0.086 0.000 0.988 315 T CA -0.459 61.617 62.100 -0.040 0.000 0.957 315 T CB 0.257 69.121 68.868 -0.006 0.000 0.930 315 T HN 0.355 nan 8.240 nan 0.000 0.443 316 L N 5.231 126.348 121.223 -0.177 0.000 2.322 316 L HA 0.697 5.037 4.340 -0.000 0.000 0.281 316 L C -0.068 176.722 176.870 -0.133 0.000 1.014 316 L CA -0.820 53.942 54.840 -0.130 0.000 0.815 316 L CB 1.738 43.677 42.059 -0.199 0.000 1.247 316 L HN 0.782 nan 8.230 nan 0.000 0.421 317 E N 3.245 123.497 120.200 0.086 0.000 2.366 317 E HA 0.476 4.826 4.350 -0.000 0.000 0.278 317 E C -1.300 175.452 176.600 0.253 0.000 0.923 317 E CA -0.864 55.639 56.400 0.170 0.000 0.761 317 E CB 2.268 32.008 29.700 0.067 0.000 1.231 317 E HN 0.454 nan 8.360 nan 0.000 0.443 318 I N 2.576 123.313 120.570 0.279 0.000 2.294 318 I HA 0.096 4.266 4.170 -0.000 0.000 0.295 318 I C 0.429 176.761 176.117 0.357 0.000 1.098 318 I CA -0.374 61.069 61.300 0.238 0.000 1.277 318 I CB 1.034 39.091 38.000 0.095 0.000 1.434 318 I HN 0.507 nan 8.210 nan 0.000 0.498 319 S N 4.549 120.402 115.700 0.254 0.000 2.549 319 S HA 0.004 4.474 4.470 -0.000 0.000 0.286 319 S C 1.287 175.990 174.600 0.171 0.000 1.314 319 S CA -0.136 58.169 58.200 0.175 0.000 1.062 319 S CB 0.497 63.751 63.200 0.090 0.000 0.865 319 S HN 0.646 nan 8.310 nan 0.000 0.498 320 E N 2.334 122.421 120.200 -0.189 0.000 2.268 320 E HA -0.097 4.253 4.350 -0.000 0.000 0.195 320 E C 1.713 178.092 176.600 -0.368 0.000 0.995 320 E CA 1.147 57.055 56.400 -0.820 0.000 0.836 320 E CB -0.021 29.192 29.700 -0.811 0.000 0.763 320 E HN 0.804 nan 8.360 nan 0.000 0.491 321 S N 0.602 116.214 115.700 -0.146 0.000 2.603 321 S HA -0.055 4.415 4.470 -0.000 0.000 0.220 321 S C 0.530 175.121 174.600 -0.016 0.000 0.967 321 S CA -0.207 57.945 58.200 -0.080 0.000 0.920 321 S CB 0.080 63.248 63.200 -0.053 0.000 0.773 321 S HN 0.041 nan 8.310 nan 0.000 0.529 322 D N 3.152 123.587 120.400 0.057 0.000 2.348 322 D HA 0.179 4.819 4.640 -0.000 0.000 0.253 322 D C -1.169 175.171 176.300 0.067 0.000 1.161 322 D CA -2.030 52.037 54.000 0.112 0.000 0.876 322 D CB 1.656 42.582 40.800 0.210 0.000 1.160 322 D HN 0.045 nan 8.370 nan 0.000 0.459 323 P HA -0.147 nan 4.420 nan 0.000 0.217 323 P C 0.609 177.634 177.300 -0.458 0.000 1.148 323 P CA 1.091 64.000 63.100 -0.319 0.000 0.828 323 P CB -0.034 31.360 31.700 -0.509 0.000 0.783 324 F N -2.661 117.325 119.950 0.059 0.000 2.684 324 F HA 0.264 4.791 4.527 -0.000 0.000 0.298 324 F C 1.840 177.678 175.800 0.062 0.000 1.120 324 F CA -0.944 57.080 58.000 0.041 0.000 1.332 324 F CB -0.919 38.072 39.000 -0.015 0.000 0.986 324 F HN -0.248 nan 8.300 nan 0.000 0.524 325 F N 1.978 121.973 119.950 0.076 0.000 2.032 325 F HA -0.358 4.169 4.527 -0.000 0.000 0.297 325 F C 2.140 177.974 175.800 0.058 0.000 1.125 325 F CA 2.208 60.241 58.000 0.055 0.000 1.202 325 F CB -0.294 38.719 39.000 0.022 0.000 0.958 325 F HN 0.013 nan 8.300 nan 0.000 0.491 326 D N 0.214 120.661 120.400 0.077 0.000 2.133 326 D HA -0.217 4.423 4.640 -0.000 0.000 0.195 326 D C 1.932 178.180 176.300 -0.086 0.000 0.997 326 D CA 1.839 55.815 54.000 -0.040 0.000 0.840 326 D CB -0.590 40.274 40.800 0.107 0.000 0.947 326 D HN 0.465 nan 8.370 nan 0.000 0.452 327 D N 0.748 121.150 120.400 0.002 0.000 2.103 327 D HA -0.073 4.567 4.640 -0.000 0.000 0.199 327 D C 2.070 178.337 176.300 -0.056 0.000 0.978 327 D CA 0.667 54.671 54.000 0.006 0.000 0.829 327 D CB -0.023 40.821 40.800 0.074 0.000 0.981 327 D HN 0.238 nan 8.370 nan 0.000 0.464 328 K N 0.459 120.814 120.400 -0.075 0.000 2.044 328 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 328 K C 2.162 178.651 176.600 -0.185 0.000 1.049 328 K CA 0.654 56.866 56.287 -0.125 0.000 0.927 328 K CB -0.278 32.156 32.500 -0.110 0.000 0.713 328 K HN 0.039 nan 8.250 nan 0.000 0.443 329 L N 1.925 122.952 121.223 -0.327 0.000 2.083 329 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 329 L C 1.979 178.753 176.870 -0.160 0.000 1.083 329 L CA 1.822 56.466 54.840 -0.327 0.000 0.752 329 L CB -0.482 41.207 42.059 -0.616 0.000 0.899 329 L HN 0.208 nan 8.230 nan 0.000 0.433 330 D N -0.960 119.365 120.400 -0.126 0.000 2.117 330 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 330 D C 2.004 178.291 176.300 -0.022 0.000 0.987 330 D CA 1.674 55.641 54.000 -0.054 0.000 0.829 330 D CB 0.305 41.089 40.800 -0.028 0.000 0.961 330 D HN 0.304 nan 8.370 nan 0.000 0.460 331 V N 1.670 121.578 119.914 -0.010 0.000 2.295 331 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 331 V C 2.795 178.919 176.094 0.050 0.000 1.049 331 V CA 1.812 64.144 62.300 0.053 0.000 1.024 331 V CB -0.919 30.957 31.823 0.089 0.000 0.648 331 V HN 0.263 nan 8.190 nan 0.000 0.447 332 A N -0.035 122.797 122.820 0.019 0.000 1.865 332 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 332 A C 2.183 179.798 177.584 0.052 0.000 1.191 332 A CA 2.032 54.099 52.037 0.051 0.000 0.623 332 A CB -0.515 18.507 19.000 0.036 0.000 0.826 332 A HN 0.648 nan 8.150 nan 0.000 0.444 333 E N -0.079 120.131 120.200 0.017 0.000 2.077 333 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 333 E C 2.138 178.706 176.600 -0.053 0.000 0.989 333 E CA 1.252 57.647 56.400 -0.007 0.000 0.800 333 E CB -0.273 29.421 29.700 -0.010 0.000 0.746 333 E HN 0.523 nan 8.360 nan 0.000 0.452 334 S N 0.978 116.649 115.700 -0.049 0.000 2.465 334 S HA -0.051 4.419 4.470 -0.000 0.000 0.241 334 S C 1.060 175.583 174.600 -0.127 0.000 1.000 334 S CA 0.615 58.780 58.200 -0.059 0.000 0.964 334 S CB -0.054 63.134 63.200 -0.019 0.000 0.763 334 S HN 0.238 nan 8.310 nan 0.000 0.512 335 N N 0.265 118.839 118.700 -0.209 0.000 2.416 335 N HA 0.217 4.957 4.740 -0.000 0.000 0.267 335 N C 0.530 175.800 175.510 -0.401 0.000 1.294 335 N CA 0.364 53.165 53.050 -0.414 0.000 0.891 335 N CB 1.092 39.016 38.487 -0.938 0.000 1.238 335 N HN 0.378 nan 8.380 nan 0.000 0.508 336 G N 0.957 109.573 108.800 -0.306 0.000 2.225 336 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.264 336 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.264 336 G C -0.411 174.094 174.900 -0.659 0.000 1.060 336 G CA 0.107 44.944 45.100 -0.439 0.000 0.833 336 G HN 0.318 nan 8.290 nan 0.000 0.498 337 F N -0.606 119.296 119.950 -0.080 0.000 2.588 337 F HA 0.750 5.277 4.527 -0.000 0.000 0.310 337 F C 0.425 176.262 175.800 0.062 0.000 1.082 337 F CA -0.358 57.664 58.000 0.038 0.000 0.929 337 F CB 1.903 41.037 39.000 0.222 0.000 1.254 337 F HN 0.332 nan 8.300 nan 0.000 0.455 338 A N 1.167 124.157 122.820 0.283 0.000 2.256 338 A HA 0.340 4.660 4.320 -0.000 0.000 0.318 338 A C 1.006 178.723 177.584 0.222 0.000 1.103 338 A CA -0.430 51.712 52.037 0.175 0.000 0.860 338 A CB 0.938 19.997 19.000 0.099 0.000 1.182 338 A HN 0.793 nan 8.150 nan 0.000 0.501 339 Q N -0.438 119.453 119.800 0.152 0.000 2.308 339 Q HA -0.101 4.239 4.340 -0.000 0.000 0.209 339 Q C -0.447 175.661 176.000 0.181 0.000 0.985 339 Q CA 1.596 57.500 55.803 0.169 0.000 0.881 339 Q CB -0.089 28.754 28.738 0.174 0.000 0.917 339 Q HN 0.684 nan 8.270 nan 0.000 0.443 340 T N 0.201 114.809 114.554 0.090 0.000 3.031 340 T HA 0.638 4.988 4.350 -0.000 0.000 0.305 340 T C -1.399 173.149 174.700 -0.253 0.000 0.985 340 T CA -0.279 61.767 62.100 -0.091 0.000 1.008 340 T CB 1.532 70.321 68.868 -0.131 0.000 1.005 340 T HN 0.187 nan 8.240 nan 0.000 0.444 341 A N 3.207 125.754 122.820 -0.456 0.000 2.350 341 A HA 0.849 5.169 4.320 -0.000 0.000 0.324 341 A C -1.571 175.567 177.584 -0.743 0.000 1.118 341 A CA -0.678 51.037 52.037 -0.537 0.000 0.783 341 A CB 0.873 19.523 19.000 -0.584 0.000 1.236 341 A HN 0.801 nan 8.150 nan 0.000 0.457 342 Y N 0.443 120.510 120.300 -0.388 0.000 2.335 342 Y HA 0.582 5.132 4.550 -0.000 0.000 0.338 342 Y C -0.828 174.833 175.900 -0.397 0.000 0.977 342 Y CA -0.297 57.648 58.100 -0.259 0.000 1.114 342 Y CB 1.617 39.987 38.460 -0.151 0.000 1.182 342 Y HN 0.535 nan 8.280 nan 0.000 0.463 343 F N 2.775 122.803 119.950 0.131 0.000 2.427 343 F HA 0.322 4.849 4.527 -0.000 0.000 0.348 343 F C -0.368 175.522 175.800 0.150 0.000 1.125 343 F CA -1.205 56.877 58.000 0.137 0.000 0.989 343 F CB 1.071 40.126 39.000 0.092 0.000 1.165 343 F HN 0.423 nan 8.300 nan 0.000 0.442 344 D N 4.653 125.240 120.400 0.311 0.000 2.308 344 D HA 0.347 4.987 4.640 -0.000 0.000 0.251 344 D C -0.051 176.430 176.300 0.303 0.000 1.127 344 D CA 0.230 54.373 54.000 0.238 0.000 0.876 344 D CB 1.894 42.849 40.800 0.259 0.000 1.176 344 D HN 0.372 nan 8.370 nan 0.000 0.446 345 I N 2.787 123.477 120.570 0.200 0.000 2.382 345 I HA 0.204 4.374 4.170 -0.000 0.000 0.285 345 I C -0.439 175.778 176.117 0.167 0.000 1.007 345 I CA -0.685 60.761 61.300 0.243 0.000 1.142 345 I CB 0.656 38.789 38.000 0.222 0.000 1.289 345 I HN 0.057 nan 8.210 nan 0.000 0.453 346 F N 5.227 125.282 119.950 0.174 0.000 2.385 346 F HA 0.258 4.785 4.527 -0.000 0.000 0.336 346 F C 0.330 176.257 175.800 0.211 0.000 1.100 346 F CA -0.347 57.766 58.000 0.190 0.000 1.116 346 F CB 0.596 39.684 39.000 0.147 0.000 1.166 346 F HN 0.300 nan 8.300 nan 0.000 0.511 347 Y N 4.363 124.821 120.300 0.263 0.000 2.712 347 Y HA -0.059 4.491 4.550 -0.000 0.000 0.333 347 Y C 1.137 177.145 175.900 0.180 0.000 1.225 347 Y CA 0.358 58.576 58.100 0.197 0.000 1.499 347 Y CB 0.047 38.633 38.460 0.211 0.000 1.288 347 Y HN 0.742 nan 8.280 nan 0.000 0.575 348 N N 1.302 119.743 118.700 -0.431 0.000 2.900 348 N HA -0.310 4.430 4.740 -0.000 0.000 0.240 348 N C 0.019 175.483 175.510 -0.077 0.000 0.953 348 N CA 1.435 54.291 53.050 -0.323 0.000 0.950 348 N CB -0.780 37.540 38.487 -0.278 0.000 1.102 348 N HN 0.752 nan 8.380 nan 0.000 0.593 349 R N 1.211 121.733 120.500 0.036 0.000 2.532 349 R HA 0.385 4.725 4.340 -0.000 0.000 0.272 349 R C 0.244 176.579 176.300 0.058 0.000 1.032 349 R CA 0.125 56.265 56.100 0.067 0.000 1.089 349 R CB 0.663 31.046 30.300 0.138 0.000 1.098 349 R HN 0.181 nan 8.270 nan 0.000 0.526 350 T N 0.786 115.368 114.554 0.046 0.000 2.913 350 T HA 0.228 4.578 4.350 -0.000 0.000 0.297 350 T C 0.833 175.579 174.700 0.078 0.000 1.029 350 T CA -0.744 61.379 62.100 0.038 0.000 1.104 350 T CB 0.498 69.379 68.868 0.021 0.000 0.964 350 T HN 0.393 nan 8.240 nan 0.000 0.532 351 L N 3.458 124.720 121.223 0.066 0.000 2.573 351 L HA 0.162 4.502 4.340 -0.000 0.000 0.290 351 L C -1.372 175.574 176.870 0.126 0.000 1.247 351 L CA -1.392 53.509 54.840 0.101 0.000 0.876 351 L CB -0.348 41.747 42.059 0.060 0.000 1.123 351 L HN 0.584 nan 8.230 nan 0.000 0.505 352 P HA 0.120 nan 4.420 nan 0.000 0.268 352 P C -2.473 174.968 177.300 0.234 0.000 1.205 352 P CA -1.157 62.093 63.100 0.250 0.000 0.771 352 P CB -0.071 31.863 31.700 0.390 0.000 0.858 353 P HA 0.014 nan 4.420 nan 0.000 0.269 353 P C 0.946 178.498 177.300 0.420 0.000 1.209 353 P CA 0.825 64.085 63.100 0.265 0.000 0.776 353 P CB 0.243 32.096 31.700 0.255 0.000 0.876 354 G N 1.042 110.058 108.800 0.360 0.000 2.299 354 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.237 354 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.237 354 G C 0.657 175.466 174.900 -0.151 0.000 1.027 354 G CA 0.329 45.694 45.100 0.441 0.000 0.619 354 G HN 0.569 nan 8.290 nan 0.000 0.513 355 L N 1.225 122.116 121.223 -0.554 0.000 1.961 355 L HA 0.219 4.559 4.340 -0.000 0.000 0.210 355 L C 2.837 179.443 176.870 -0.441 0.000 1.072 355 L CA 2.763 56.958 54.840 -1.075 0.000 0.749 355 L CB -0.811 40.870 42.059 -0.629 0.000 0.889 355 L HN 0.415 nan 8.230 nan 0.000 0.432 356 L N 0.171 121.276 121.223 -0.197 0.000 1.990 356 L HA -0.173 4.167 4.340 -0.000 0.000 0.213 356 L C -0.113 176.661 176.870 -0.160 0.000 1.072 356 L CA 1.950 56.730 54.840 -0.100 0.000 0.755 356 L CB -2.251 39.770 42.059 -0.063 0.000 0.889 356 L HN 0.315 nan 8.230 nan 0.000 0.432 357 P HA -0.264 nan 4.420 nan 0.000 0.215 357 P C 1.471 178.539 177.300 -0.387 0.000 1.153 357 P CA 1.774 64.605 63.100 -0.449 0.000 0.853 357 P CB -0.143 31.098 31.700 -0.765 0.000 0.788 358 Y N 0.387 120.493 120.300 -0.324 0.000 2.181 358 Y HA -0.144 4.406 4.550 -0.000 0.000 0.288 358 Y C 2.654 178.455 175.900 -0.165 0.000 1.146 358 Y CA 1.202 59.194 58.100 -0.181 0.000 1.164 358 Y CB -0.832 37.539 38.460 -0.148 0.000 0.982 358 Y HN -0.256 nan 8.280 nan 0.000 0.515 359 L N -0.228 121.015 121.223 0.034 0.000 2.012 359 L HA -0.299 4.041 4.340 -0.000 0.000 0.210 359 L C 2.581 179.420 176.870 -0.052 0.000 1.073 359 L CA 1.619 56.462 54.840 0.006 0.000 0.748 359 L CB -0.472 41.566 42.059 -0.035 0.000 0.891 359 L HN 0.185 nan 8.230 nan 0.000 0.431 360 R N -0.546 119.889 120.500 -0.109 0.000 2.103 360 R HA -0.228 4.112 4.340 -0.000 0.000 0.242 360 R C 2.188 178.377 176.300 -0.185 0.000 1.142 360 R CA 1.520 57.533 56.100 -0.144 0.000 0.960 360 R CB -0.674 29.519 30.300 -0.179 0.000 0.858 360 R HN 0.233 nan 8.270 nan 0.000 0.439 361 L N 0.740 121.822 121.223 -0.235 0.000 2.046 361 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 361 L C 2.130 178.890 176.870 -0.182 0.000 1.077 361 L CA 1.458 56.145 54.840 -0.255 0.000 0.747 361 L CB -0.252 41.601 42.059 -0.344 0.000 0.896 361 L HN -0.104 nan 8.230 nan 0.000 0.432 362 V N -0.038 119.803 119.914 -0.122 0.000 2.343 362 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 362 V C 2.527 178.603 176.094 -0.029 0.000 1.051 362 V CA 1.679 63.964 62.300 -0.027 0.000 1.036 362 V CB -0.970 30.896 31.823 0.072 0.000 0.654 362 V HN 0.593 nan 8.190 nan 0.000 0.451 363 A N -1.087 121.701 122.820 -0.055 0.000 2.251 363 A HA 0.106 4.425 4.320 -0.000 0.000 0.209 363 A C 1.763 179.290 177.584 -0.095 0.000 1.187 363 A CA 0.260 52.263 52.037 -0.058 0.000 0.823 363 A CB -0.310 18.656 19.000 -0.057 0.000 0.846 363 A HN 0.372 nan 8.150 nan 0.000 0.486 364 L N -0.024 121.116 121.223 -0.139 0.000 2.156 364 L HA -0.105 4.235 4.340 -0.000 0.000 0.248 364 L C 1.305 178.051 176.870 -0.208 0.000 1.108 364 L CA 2.530 57.239 54.840 -0.218 0.000 0.842 364 L CB -1.122 40.769 42.059 -0.280 0.000 0.950 364 L HN 1.182 nan 8.230 nan 0.000 0.441 365 G N -5.039 103.648 108.800 -0.188 0.000 2.629 365 G HA2 0.189 4.149 3.960 -0.000 0.000 0.686 365 G HA3 0.189 4.149 3.960 -0.000 0.000 0.686 365 G C 0.502 175.287 174.900 -0.192 0.000 1.232 365 G CA -0.159 44.867 45.100 -0.122 0.000 0.803 365 G HN 1.001 nan 8.290 nan 0.000 0.638 366 G N -0.070 108.714 108.800 -0.027 0.000 2.672 366 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.218 366 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.218 366 G C 2.033 176.888 174.900 -0.075 0.000 1.238 366 G CA 2.887 47.993 45.100 0.010 0.000 0.791 366 G HN 1.728 nan 8.290 nan 0.000 0.606 367 T N 1.405 115.934 114.554 -0.041 0.000 2.565 367 T HA -0.181 4.169 4.350 -0.000 0.000 0.265 367 T C 1.789 176.490 174.700 0.002 0.000 1.082 367 T CA 1.771 63.868 62.100 -0.005 0.000 1.173 367 T CB -0.476 68.385 68.868 -0.012 0.000 0.864 367 T HN 0.324 nan 8.240 nan 0.000 0.425 368 D N 1.279 121.570 120.400 -0.182 0.000 2.363 368 D HA 0.208 4.848 4.640 -0.000 0.000 0.226 368 D C 1.960 177.750 176.300 -0.850 0.000 1.020 368 D CA 0.487 54.180 54.000 -0.512 0.000 0.892 368 D CB -0.320 40.187 40.800 -0.488 0.000 0.900 368 D HN 0.451 nan 8.370 nan 0.000 0.531 369 A N 0.994 123.438 122.820 -0.627 0.000 2.125 369 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 369 A C 1.795 179.030 177.584 -0.582 0.000 1.156 369 A CA 0.483 52.045 52.037 -0.791 0.000 0.671 369 A CB -1.089 17.175 19.000 -1.226 0.000 0.794 369 A HN 0.371 nan 8.150 nan 0.000 0.459 370 F N -0.503 119.240 119.950 -0.346 0.000 2.192 370 F HA -0.142 4.385 4.527 -0.000 0.000 0.301 370 F C 1.422 176.989 175.800 -0.388 0.000 1.079 370 F CA 1.112 58.954 58.000 -0.262 0.000 1.303 370 F CB -0.972 37.888 39.000 -0.233 0.000 1.024 370 F HN 0.104 nan 8.300 nan 0.000 0.494 371 L N 0.431 120.798 121.223 -1.427 0.000 2.450 371 L HA -0.118 4.222 4.340 -0.000 0.000 0.224 371 L C 1.874 178.462 176.870 -0.471 0.000 1.149 371 L CA 0.629 54.739 54.840 -1.216 0.000 0.816 371 L CB -0.514 40.786 42.059 -1.264 0.000 0.932 371 L HN 0.340 nan 8.230 nan 0.000 0.449 372 L N -1.171 119.851 121.223 -0.335 0.000 2.592 372 L HA 0.072 4.412 4.340 -0.000 0.000 0.227 372 L C 0.751 177.643 176.870 0.036 0.000 1.127 372 L CA -0.192 54.571 54.840 -0.128 0.000 0.884 372 L CB -0.132 41.828 42.059 -0.164 0.000 1.065 372 L HN 0.122 nan 8.230 nan 0.000 0.457 373 E N 0.118 120.396 120.200 0.131 0.000 2.390 373 E HA 0.070 4.420 4.350 -0.000 0.000 0.261 373 E C 1.227 177.955 176.600 0.213 0.000 1.076 373 E CA -0.013 56.508 56.400 0.203 0.000 0.905 373 E CB 1.159 31.031 29.700 0.286 0.000 0.984 373 E HN -0.013 nan 8.360 nan 0.000 0.427 374 S N 1.353 117.134 115.700 0.135 0.000 2.400 374 S HA -0.246 4.224 4.470 -0.000 0.000 0.234 374 S C 1.771 176.417 174.600 0.076 0.000 1.049 374 S CA 1.194 59.451 58.200 0.095 0.000 1.039 374 S CB -0.185 63.052 63.200 0.062 0.000 0.856 374 S HN 0.480 nan 8.310 nan 0.000 0.465 375 L N 0.809 122.059 121.223 0.044 0.000 2.081 375 L HA -0.048 4.292 4.340 -0.000 0.000 0.212 375 L C 1.387 178.119 176.870 -0.230 0.000 1.080 375 L CA 1.799 56.550 54.840 -0.149 0.000 0.754 375 L CB -0.651 41.215 42.059 -0.322 0.000 0.893 375 L HN 0.287 nan 8.230 nan 0.000 0.433 376 F N -1.366 118.641 119.950 0.095 0.000 2.727 376 F HA 0.243 4.770 4.527 -0.000 0.000 0.302 376 F C 1.561 177.424 175.800 0.105 0.000 1.097 376 F CA -0.289 57.784 58.000 0.123 0.000 1.330 376 F CB -0.341 38.730 39.000 0.118 0.000 1.084 376 F HN -0.163 nan 8.300 nan 0.000 0.578 377 R N 0.835 121.463 120.500 0.213 0.000 2.400 377 R HA -0.062 4.277 4.340 -0.000 0.000 0.207 377 R C 0.071 176.452 176.300 0.135 0.000 1.192 377 R CA 0.558 56.751 56.100 0.155 0.000 1.181 377 R CB -0.935 29.427 30.300 0.103 0.000 0.947 377 R HN 0.336 nan 8.270 nan 0.000 0.479 378 D N -2.191 118.302 120.400 0.154 0.000 2.497 378 D HA 0.028 4.667 4.640 -0.000 0.000 0.256 378 D C 0.729 177.112 176.300 0.140 0.000 1.273 378 D CA 0.529 54.601 54.000 0.121 0.000 0.812 378 D CB 1.099 41.945 40.800 0.077 0.000 1.190 378 D HN 0.257 nan 8.370 nan 0.000 0.524 379 T N -1.985 112.690 114.554 0.200 0.000 3.046 379 T HA 0.065 4.415 4.350 -0.000 0.000 0.270 379 T C 1.722 176.539 174.700 0.195 0.000 0.920 379 T CA -0.172 62.018 62.100 0.149 0.000 0.874 379 T CB 0.239 69.213 68.868 0.176 0.000 1.214 379 T HN -0.058 nan 8.240 nan 0.000 0.536 380 I N 1.321 122.084 120.570 0.322 0.000 2.145 380 I HA -0.084 4.086 4.170 -0.000 0.000 0.244 380 I C 2.043 178.255 176.117 0.159 0.000 1.075 380 I CA 1.496 62.953 61.300 0.262 0.000 1.332 380 I CB -0.495 37.617 38.000 0.187 0.000 1.033 380 I HN 0.519 nan 8.210 nan 0.000 0.410 381 W N 1.243 122.575 121.300 0.054 0.000 2.363 381 W HA -0.124 4.536 4.660 -0.000 0.000 0.296 381 W C 2.203 178.737 176.519 0.026 0.000 1.212 381 W CA 1.643 59.010 57.345 0.037 0.000 1.260 381 W CB -0.717 28.779 29.460 0.059 0.000 1.131 381 W HN 0.332 nan 8.180 nan 0.000 0.530 382 G N -0.591 108.235 108.800 0.044 0.000 2.418 382 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 382 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 382 G C 1.291 176.100 174.900 -0.152 0.000 1.158 382 G CA 1.037 46.094 45.100 -0.071 0.000 0.771 382 G HN 0.288 nan 8.290 nan 0.000 0.545 383 H N 0.400 119.468 119.070 -0.003 0.000 2.353 383 H HA 0.064 4.620 4.556 -0.000 0.000 0.300 383 H C 2.742 177.988 175.328 -0.136 0.000 1.090 383 H CA 0.897 56.943 56.048 -0.003 0.000 1.327 383 H CB -0.346 29.442 29.762 0.043 0.000 1.383 383 H HN 0.261 nan 8.280 nan 0.000 0.508 384 L N 0.644 121.756 121.223 -0.184 0.000 2.131 384 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 384 L C 2.293 178.938 176.870 -0.374 0.000 1.092 384 L CA 1.198 55.810 54.840 -0.381 0.000 0.759 384 L CB -0.246 41.374 42.059 -0.730 0.000 0.903 384 L HN 0.313 nan 8.230 nan 0.000 0.435 385 E N 0.003 119.984 120.200 -0.365 0.000 2.112 385 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 385 E C 2.179 178.715 176.600 -0.107 0.000 0.979 385 E CA 0.817 57.081 56.400 -0.226 0.000 0.814 385 E CB 0.004 29.615 29.700 -0.147 0.000 0.762 385 E HN 0.489 nan 8.360 nan 0.000 0.460 386 L N 0.707 121.893 121.223 -0.062 0.000 2.492 386 L HA 0.046 4.386 4.340 -0.000 0.000 0.223 386 L C 0.303 177.175 176.870 0.004 0.000 1.132 386 L CA 0.040 54.870 54.840 -0.016 0.000 0.850 386 L CB -0.212 41.864 42.059 0.030 0.000 0.966 386 L HN 0.073 nan 8.230 nan 0.000 0.454 387 S N -3.362 112.350 115.700 0.021 0.000 2.941 387 S HA -0.095 4.375 4.470 -0.000 0.000 0.848 387 S C 0.036 174.740 174.600 0.172 0.000 0.920 387 S CA -0.254 58.004 58.200 0.098 0.000 1.411 387 S CB -0.653 62.637 63.200 0.149 0.000 1.008 387 S HN -0.183 nan 8.310 nan 0.000 0.232 388 V N 1.834 121.818 119.914 0.116 0.000 2.398 388 V HA 0.511 4.631 4.120 -0.000 0.000 0.236 388 V C 1.358 177.487 176.094 0.058 0.000 1.054 388 V CA 1.498 63.810 62.300 0.020 0.000 1.060 388 V CB -0.263 31.458 31.823 -0.170 0.000 0.707 388 V HN 1.872 nan 8.190 nan 0.000 0.480 389 S N -1.473 114.128 115.700 -0.166 0.000 2.565 389 S HA 0.435 4.905 4.470 -0.000 0.000 0.269 389 S C 0.242 174.204 174.600 -1.063 0.000 1.153 389 S CA -0.472 57.403 58.200 -0.542 0.000 0.835 389 S CB 2.246 65.284 63.200 -0.271 0.000 1.122 389 S HN 0.220 nan 8.310 nan 0.000 0.462 390 R N 0.486 120.132 120.500 -1.424 0.000 2.105 390 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 390 R C 0.833 176.906 176.300 -0.378 0.000 1.135 390 R CA 2.209 57.756 56.100 -0.922 0.000 0.967 390 R CB -0.547 29.487 30.300 -0.442 0.000 0.861 390 R HN 0.770 nan 8.270 nan 0.000 0.442 391 D N -0.026 120.199 120.400 -0.292 0.000 2.144 391 D HA -0.190 4.450 4.640 -0.000 0.000 0.200 391 D C 1.546 177.759 176.300 -0.146 0.000 0.978 391 D CA 0.875 54.776 54.000 -0.165 0.000 0.833 391 D CB -0.444 40.280 40.800 -0.128 0.000 0.961 391 D HN 0.363 nan 8.370 nan 0.000 0.470 392 N N 1.084 119.672 118.700 -0.187 0.000 2.142 392 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 392 N C 1.695 177.152 175.510 -0.089 0.000 1.023 392 N CA 1.050 54.015 53.050 -0.141 0.000 0.852 392 N CB 0.177 38.563 38.487 -0.167 0.000 0.998 392 N HN -0.002 nan 8.380 nan 0.000 0.424 393 E N 1.239 121.387 120.200 -0.086 0.000 2.047 393 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 393 E C 1.824 178.441 176.600 0.027 0.000 0.987 393 E CA 1.159 57.570 56.400 0.018 0.000 0.799 393 E CB -0.274 29.494 29.700 0.113 0.000 0.752 393 E HN 0.407 nan 8.360 nan 0.000 0.449 394 E N -0.094 120.099 120.200 -0.011 0.000 2.085 394 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 394 E C 2.170 178.771 176.600 0.002 0.000 0.994 394 E CA 1.031 57.433 56.400 0.004 0.000 0.801 394 E CB -0.196 29.492 29.700 -0.020 0.000 0.743 394 E HN 0.318 nan 8.360 nan 0.000 0.453 395 L N 0.701 121.910 121.223 -0.023 0.000 2.017 395 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 395 L C 2.598 179.455 176.870 -0.022 0.000 1.073 395 L CA 1.287 56.111 54.840 -0.026 0.000 0.745 395 L CB -0.337 41.697 42.059 -0.041 0.000 0.894 395 L HN 0.299 nan 8.230 nan 0.000 0.432 396 L N -2.973 118.242 121.223 -0.014 0.000 2.093 396 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 396 L C 2.490 179.342 176.870 -0.031 0.000 1.085 396 L CA 1.360 56.185 54.840 -0.023 0.000 0.755 396 L CB -1.696 40.364 42.059 0.002 0.000 0.904 396 L HN 0.097 nan 8.230 nan 0.000 0.435 397 C N 0.052 119.394 119.300 0.070 0.000 2.429 397 C HA -0.113 4.347 4.460 -0.000 0.000 0.277 397 C C 2.919 177.915 174.990 0.010 0.000 1.262 397 C CA 1.187 60.291 59.018 0.143 0.000 1.733 397 C CB -0.733 27.127 27.740 0.199 0.000 2.010 397 C HN 0.647 nan 8.230 nan 0.000 0.483 398 K N 1.743 122.142 120.400 -0.001 0.000 2.026 398 K HA -0.040 4.280 4.320 -0.000 0.000 0.208 398 K C 2.053 178.620 176.600 -0.056 0.000 1.048 398 K CA 1.937 58.212 56.287 -0.020 0.000 0.929 398 K CB -0.666 31.826 32.500 -0.014 0.000 0.713 398 K HN 0.355 nan 8.250 nan 0.000 0.439 399 A N 0.064 122.840 122.820 -0.073 0.000 1.883 399 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 399 A C 2.354 179.852 177.584 -0.143 0.000 1.186 399 A CA 2.090 54.074 52.037 -0.090 0.000 0.624 399 A CB -0.896 18.055 19.000 -0.082 0.000 0.822 399 A HN 0.131 nan 8.150 nan 0.000 0.444 400 V N 0.114 119.877 119.914 -0.252 0.000 2.270 400 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 400 V C 2.594 178.535 176.094 -0.255 0.000 1.043 400 V CA 2.130 64.198 62.300 -0.386 0.000 1.014 400 V CB -0.853 30.408 31.823 -0.937 0.000 0.645 400 V HN 0.522 nan 8.190 nan 0.000 0.447 401 R N -0.160 120.236 120.500 -0.174 0.000 2.159 401 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 401 R C 2.209 178.472 176.300 -0.062 0.000 1.131 401 R CA 1.175 57.231 56.100 -0.074 0.000 0.982 401 R CB -0.275 30.019 30.300 -0.011 0.000 0.868 401 R HN 0.519 nan 8.270 nan 0.000 0.453 402 E N 0.614 120.775 120.200 -0.066 0.000 2.112 402 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 402 E C 2.012 178.582 176.600 -0.049 0.000 0.979 402 E CA 1.077 57.449 56.400 -0.046 0.000 0.814 402 E CB -0.194 29.483 29.700 -0.038 0.000 0.762 402 E HN 0.290 nan 8.360 nan 0.000 0.460 403 A N 0.880 123.657 122.820 -0.071 0.000 1.902 403 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 403 A C 2.630 180.172 177.584 -0.070 0.000 1.181 403 A CA 1.526 53.526 52.037 -0.062 0.000 0.623 403 A CB -0.958 17.996 19.000 -0.077 0.000 0.818 403 A HN 0.341 nan 8.150 nan 0.000 0.443 404 C N -0.498 118.743 119.300 -0.098 0.000 2.442 404 C HA -0.104 4.356 4.460 -0.000 0.000 0.279 404 C C 2.727 177.683 174.990 -0.057 0.000 1.237 404 C CA 1.316 60.269 59.018 -0.107 0.000 1.722 404 C CB -1.137 26.542 27.740 -0.102 0.000 2.056 404 C HN 0.638 nan 8.230 nan 0.000 0.469 405 K N 0.906 121.284 120.400 -0.037 0.000 2.020 405 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 405 K C 2.341 178.943 176.600 0.003 0.000 1.050 405 K CA 1.845 58.124 56.287 -0.013 0.000 0.929 405 K CB -0.556 31.938 32.500 -0.011 0.000 0.714 405 K HN 0.442 nan 8.250 nan 0.000 0.443 406 S N 0.652 116.350 115.700 -0.003 0.000 2.359 406 S HA -0.244 4.226 4.470 -0.000 0.000 0.222 406 S C 2.143 176.757 174.600 0.024 0.000 1.038 406 S CA 1.596 59.800 58.200 0.007 0.000 1.051 406 S CB -0.375 62.824 63.200 -0.001 0.000 0.944 406 S HN 0.404 nan 8.310 nan 0.000 0.433 407 A N 1.456 124.291 122.820 0.025 0.000 1.883 407 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 407 A C 2.300 179.989 177.584 0.176 0.000 1.186 407 A CA 1.702 53.781 52.037 0.070 0.000 0.624 407 A CB -1.042 17.986 19.000 0.046 0.000 0.822 407 A HN 0.593 nan 8.150 nan 0.000 0.444 408 L N -0.800 120.507 121.223 0.140 0.000 2.081 408 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 408 L C 2.934 179.947 176.870 0.238 0.000 1.080 408 L CA 1.097 56.047 54.840 0.184 0.000 0.754 408 L CB -0.443 41.633 42.059 0.030 0.000 0.893 408 L HN 0.475 nan 8.230 nan 0.000 0.433 409 A N -0.276 122.622 122.820 0.130 0.000 2.172 409 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 409 A C 2.187 179.825 177.584 0.090 0.000 1.154 409 A CA 1.242 53.336 52.037 0.095 0.000 0.701 409 A CB -0.732 18.297 19.000 0.049 0.000 0.789 409 A HN 0.458 nan 8.150 nan 0.000 0.465 410 G N -1.891 106.948 108.800 0.065 0.000 2.813 410 G HA2 0.232 4.192 3.960 -0.000 0.000 0.209 410 G HA3 0.232 4.192 3.960 -0.000 0.000 0.209 410 G C 0.208 175.046 174.900 -0.103 0.000 1.150 410 G CA -0.096 44.969 45.100 -0.057 0.000 0.785 410 G HN 0.441 nan 8.290 nan 0.000 0.535 411 Y N 0.859 121.187 120.300 0.046 0.000 2.304 411 Y HA 0.237 4.787 4.550 -0.000 0.000 0.328 411 Y C 1.651 177.577 175.900 0.043 0.000 1.123 411 Y CA -0.923 57.202 58.100 0.043 0.000 1.218 411 Y CB 0.845 39.293 38.460 -0.020 0.000 1.207 411 Y HN 0.320 nan 8.280 nan 0.000 0.495 412 H N 0.018 119.174 119.070 0.143 0.000 2.536 412 H HA 0.183 4.739 4.556 -0.000 0.000 0.276 412 H C -0.475 174.904 175.328 0.084 0.000 1.019 412 H CA 0.547 56.648 56.048 0.088 0.000 1.159 412 H CB -0.260 29.535 29.762 0.056 0.000 1.373 412 H HN 0.575 nan 8.280 nan 0.000 0.584 413 T N -1.463 112.952 114.554 -0.230 0.000 2.868 413 T HA 0.404 4.754 4.350 -0.000 0.000 0.306 413 T C -0.129 174.513 174.700 -0.097 0.000 1.224 413 T CA -0.530 61.463 62.100 -0.179 0.000 1.012 413 T CB 2.361 71.061 68.868 -0.280 0.000 1.221 413 T HN 0.289 nan 8.240 nan 0.000 0.499 414 T N -0.518 113.993 114.554 -0.072 0.000 2.928 414 T HA 0.529 4.879 4.350 -0.000 0.000 0.284 414 T C 1.575 176.224 174.700 -0.086 0.000 1.008 414 T CA -1.073 60.986 62.100 -0.068 0.000 1.057 414 T CB 0.548 69.392 68.868 -0.040 0.000 1.018 414 T HN 0.600 nan 8.240 nan 0.000 0.493 415 I N 0.847 121.356 120.570 -0.101 0.000 2.236 415 I HA -0.230 3.940 4.170 -0.000 0.000 0.249 415 I C 2.394 178.470 176.117 -0.069 0.000 1.102 415 I CA 1.601 62.838 61.300 -0.105 0.000 1.365 415 I CB -0.313 37.622 38.000 -0.108 0.000 1.051 415 I HN 0.736 nan 8.210 nan 0.000 0.420 416 E N 0.531 120.701 120.200 -0.050 0.000 2.077 416 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 416 E C 2.152 178.735 176.600 -0.029 0.000 0.989 416 E CA 1.134 57.515 56.400 -0.032 0.000 0.800 416 E CB -0.238 29.449 29.700 -0.022 0.000 0.746 416 E HN 0.523 nan 8.360 nan 0.000 0.452 417 Q N 0.351 120.131 119.800 -0.033 0.000 2.119 417 Q HA -0.152 4.188 4.340 -0.000 0.000 0.201 417 Q C 1.515 177.498 176.000 -0.029 0.000 0.972 417 Q CA 1.262 57.049 55.803 -0.026 0.000 0.847 417 Q CB -0.005 28.715 28.738 -0.030 0.000 0.903 417 Q HN 0.286 nan 8.270 nan 0.000 0.433 418 D N 0.637 121.010 120.400 -0.046 0.000 2.084 418 D HA -0.130 4.510 4.640 -0.000 0.000 0.194 418 D C 1.858 178.144 176.300 -0.024 0.000 0.990 418 D CA 1.124 55.099 54.000 -0.041 0.000 0.826 418 D CB -0.175 40.585 40.800 -0.067 0.000 0.971 418 D HN 0.163 nan 8.370 nan 0.000 0.453 419 R N 0.664 121.147 120.500 -0.029 0.000 2.159 419 R HA -0.114 4.226 4.340 -0.000 0.000 0.237 419 R C 2.188 178.484 176.300 -0.006 0.000 1.131 419 R CA 0.877 56.967 56.100 -0.016 0.000 0.982 419 R CB -0.081 30.208 30.300 -0.019 0.000 0.868 419 R HN 0.345 nan 8.270 nan 0.000 0.453 420 E N 0.787 120.982 120.200 -0.007 0.000 2.051 420 E HA -0.117 4.233 4.350 -0.000 0.000 0.189 420 E C 1.991 178.592 176.600 0.003 0.000 0.979 420 E CA 0.600 56.999 56.400 -0.001 0.000 0.803 420 E CB 0.085 29.784 29.700 -0.002 0.000 0.761 420 E HN 0.240 nan 8.360 nan 0.000 0.451 421 L N 1.017 122.242 121.223 0.003 0.000 2.013 421 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 421 L C 2.551 179.428 176.870 0.012 0.000 1.073 421 L CA 1.549 56.394 54.840 0.008 0.000 0.753 421 L CB -0.366 41.699 42.059 0.010 0.000 0.890 421 L HN 0.052 nan 8.230 nan 0.000 0.432 422 K N -0.382 120.026 120.400 0.013 0.000 2.211 422 K HA -0.235 4.085 4.320 -0.000 0.000 0.204 422 K C 1.890 178.500 176.600 0.016 0.000 1.047 422 K CA 1.174 57.473 56.287 0.019 0.000 0.935 422 K CB -0.123 32.390 32.500 0.021 0.000 0.728 422 K HN 0.131 nan 8.250 nan 0.000 0.452 423 E N 0.529 120.736 120.200 0.011 0.000 2.472 423 E HA -0.037 4.313 4.350 -0.000 0.000 0.200 423 E C 0.692 177.298 176.600 0.010 0.000 1.046 423 E CA 0.389 56.795 56.400 0.010 0.000 0.871 423 E CB 0.048 29.752 29.700 0.007 0.000 0.806 423 E HN 0.360 nan 8.360 nan 0.000 0.533 424 G N -0.815 107.992 108.800 0.011 0.000 2.828 424 G HA2 0.197 4.157 3.960 -0.000 0.000 0.244 424 G HA3 0.197 4.157 3.960 -0.000 0.000 0.244 424 G C -0.469 174.437 174.900 0.011 0.000 1.365 424 G CA -0.707 44.399 45.100 0.010 0.000 1.041 424 G HN 0.011 nan 8.290 nan 0.000 0.560 425 N N 0.764 119.470 118.700 0.009 0.000 2.678 425 N HA 0.293 5.033 4.740 -0.000 0.000 0.231 425 N C -0.926 174.589 175.510 0.008 0.000 1.038 425 N CA -0.310 52.745 53.050 0.009 0.000 0.932 425 N CB 1.441 39.932 38.487 0.007 0.000 1.176 425 N HN 0.023 nan 8.380 nan 0.000 0.511 426 L N 1.350 122.580 121.223 0.012 0.000 2.375 426 L HA 0.188 4.528 4.340 -0.000 0.000 0.271 426 L C 0.902 177.775 176.870 0.005 0.000 1.107 426 L CA -0.444 54.401 54.840 0.010 0.000 0.806 426 L CB 0.508 42.578 42.059 0.019 0.000 1.146 426 L HN 0.418 nan 8.230 nan 0.000 0.447 427 D N 0.258 120.651 120.400 -0.011 0.000 2.400 427 D HA -0.007 4.633 4.640 -0.000 0.000 0.238 427 D C 1.185 177.475 176.300 -0.018 0.000 1.157 427 D CA 0.660 54.645 54.000 -0.024 0.000 0.889 427 D CB 1.026 41.794 40.800 -0.054 0.000 1.199 427 D HN 0.586 nan 8.370 nan 0.000 0.436 428 S N 3.477 119.174 115.700 -0.006 0.000 2.365 428 S HA -0.288 4.182 4.470 -0.000 0.000 0.225 428 S C 1.809 176.422 174.600 0.021 0.000 1.039 428 S CA 1.082 59.301 58.200 0.033 0.000 1.033 428 S CB -0.348 62.887 63.200 0.058 0.000 0.887 428 S HN 0.631 nan 8.310 nan 0.000 0.447 429 R N 0.265 120.694 120.500 -0.118 0.000 2.115 429 R HA 0.190 4.530 4.340 -0.000 0.000 0.226 429 R C 2.411 178.522 176.300 -0.314 0.000 1.100 429 R CA 0.996 56.884 56.100 -0.353 0.000 0.980 429 R CB -0.560 29.199 30.300 -0.901 0.000 0.875 429 R HN 0.393 nan 8.270 nan 0.000 0.445 430 L N 0.943 122.050 121.223 -0.193 0.000 2.056 430 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 430 L C 2.232 179.115 176.870 0.022 0.000 1.078 430 L CA 1.801 56.590 54.840 -0.085 0.000 0.749 430 L CB -0.636 41.390 42.059 -0.055 0.000 0.901 430 L HN 0.099 nan 8.230 nan 0.000 0.433 431 A N -0.231 122.611 122.820 0.036 0.000 1.908 431 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 431 A C 2.283 179.950 177.584 0.137 0.000 1.181 431 A CA 2.223 54.308 52.037 0.079 0.000 0.627 431 A CB -0.882 18.163 19.000 0.075 0.000 0.818 431 A HN 0.528 nan 8.150 nan 0.000 0.445 432 I N -0.529 120.161 120.570 0.200 0.000 2.202 432 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 432 I C 2.995 179.294 176.117 0.304 0.000 1.091 432 I CA 0.949 62.422 61.300 0.288 0.000 1.368 432 I CB -0.370 37.905 38.000 0.458 0.000 1.058 432 I HN 0.363 nan 8.210 nan 0.000 0.410 433 A N 0.583 123.632 122.820 0.381 0.000 1.858 433 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 433 A C 2.435 180.134 177.584 0.191 0.000 1.190 433 A CA 1.917 54.162 52.037 0.346 0.000 0.617 433 A CB -1.051 18.155 19.000 0.343 0.000 0.827 433 A HN 0.219 nan 8.150 nan 0.000 0.443 434 V N 0.009 120.003 119.914 0.134 0.000 2.255 434 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 434 V C 2.864 178.991 176.094 0.056 0.000 1.051 434 V CA 2.192 64.536 62.300 0.074 0.000 1.018 434 V CB -1.622 30.233 31.823 0.053 0.000 0.641 434 V HN 0.624 nan 8.190 nan 0.000 0.445 435 G N -0.109 108.745 108.800 0.089 0.000 2.440 435 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 435 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 435 G C 1.496 176.446 174.900 0.083 0.000 1.154 435 G CA 0.969 46.130 45.100 0.103 0.000 0.767 435 G HN 0.347 nan 8.290 nan 0.000 0.552 436 I N 1.997 122.627 120.570 0.099 0.000 2.090 436 I HA -0.175 3.995 4.170 -0.000 0.000 0.236 436 I C 3.043 179.153 176.117 -0.012 0.000 1.064 436 I CA 1.803 63.143 61.300 0.066 0.000 1.324 436 I CB -1.087 36.962 38.000 0.081 0.000 1.044 436 I HN 0.377 nan 8.210 nan 0.000 0.399 437 R N 1.393 121.918 120.500 0.042 0.000 2.117 437 R HA -0.234 4.106 4.340 -0.000 0.000 0.243 437 R C 1.970 178.152 176.300 -0.197 0.000 1.143 437 R CA 2.001 58.113 56.100 0.020 0.000 0.968 437 R CB -0.904 29.480 30.300 0.141 0.000 0.863 437 R HN 0.515 nan 8.270 nan 0.000 0.444 438 E N 0.866 120.957 120.200 -0.182 0.000 2.077 438 E HA -0.150 4.199 4.350 -0.000 0.000 0.193 438 E C 2.069 178.414 176.600 -0.425 0.000 0.989 438 E CA 1.526 57.772 56.400 -0.258 0.000 0.800 438 E CB -0.377 29.215 29.700 -0.180 0.000 0.746 438 E HN 0.539 nan 8.360 nan 0.000 0.452 439 G N 0.824 109.251 108.800 -0.621 0.000 2.418 439 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 439 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 439 G C 1.366 175.966 174.900 -0.500 0.000 1.158 439 G CA 0.870 45.276 45.100 -1.157 0.000 0.771 439 G HN 0.342 nan 8.290 nan 0.000 0.545 440 E N 0.504 120.555 120.200 -0.247 0.000 2.077 440 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 440 E C 2.526 179.019 176.600 -0.178 0.000 0.989 440 E CA 0.902 57.286 56.400 -0.026 0.000 0.800 440 E CB -0.121 29.698 29.700 0.198 0.000 0.746 440 E HN 0.377 nan 8.360 nan 0.000 0.452 441 K N 0.310 120.476 120.400 -0.391 0.000 2.103 441 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 441 K C 2.175 178.636 176.600 -0.231 0.000 1.048 441 K CA 1.249 57.295 56.287 -0.402 0.000 0.930 441 K CB -0.125 32.086 32.500 -0.482 0.000 0.716 441 K HN 0.171 nan 8.250 nan 0.000 0.444 442 M N 0.289 119.749 119.600 -0.234 0.000 2.132 442 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 442 M C 2.263 178.589 176.300 0.043 0.000 1.065 442 M CA 1.319 56.537 55.300 -0.137 0.000 1.122 442 M CB -0.268 32.109 32.600 -0.371 0.000 1.365 442 M HN -0.070 nan 8.290 nan 0.000 0.411 443 V N 0.403 120.337 119.914 0.033 0.000 2.307 443 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 443 V C 2.349 178.457 176.094 0.024 0.000 1.045 443 V CA 1.366 63.755 62.300 0.148 0.000 1.024 443 V CB -0.643 31.278 31.823 0.164 0.000 0.651 443 V HN 0.321 nan 8.190 nan 0.000 0.449 444 L N -0.182 120.970 121.223 -0.119 0.000 2.013 444 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 444 L C 2.552 179.368 176.870 -0.089 0.000 1.073 444 L CA 1.955 56.668 54.840 -0.212 0.000 0.753 444 L CB -1.020 40.865 42.059 -0.289 0.000 0.890 444 L HN 0.395 nan 8.230 nan 0.000 0.432 445 Q N -1.546 118.223 119.800 -0.053 0.000 2.167 445 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 445 Q C 2.176 178.198 176.000 0.038 0.000 0.970 445 Q CA 1.402 57.199 55.803 -0.010 0.000 0.855 445 Q CB -0.076 28.655 28.738 -0.011 0.000 0.911 445 Q HN 0.605 nan 8.270 nan 0.000 0.438 446 Q N 0.737 120.583 119.800 0.077 0.000 2.079 446 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 446 Q C 1.946 177.997 176.000 0.086 0.000 0.974 446 Q CA 1.001 56.858 55.803 0.090 0.000 0.840 446 Q CB 0.030 28.848 28.738 0.133 0.000 0.898 446 Q HN 0.392 nan 8.270 nan 0.000 0.430 447 I N 0.889 121.517 120.570 0.096 0.000 2.179 447 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 447 I C 2.073 178.320 176.117 0.216 0.000 1.088 447 I CA 1.676 63.075 61.300 0.166 0.000 1.357 447 I CB -0.404 37.651 38.000 0.091 0.000 1.051 447 I HN 0.347 nan 8.210 nan 0.000 0.409 448 D N 0.834 121.292 120.400 0.097 0.000 2.149 448 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 448 D C 2.187 178.554 176.300 0.112 0.000 0.990 448 D CA 1.535 55.588 54.000 0.090 0.000 0.839 448 D CB -0.106 40.707 40.800 0.021 0.000 0.948 448 D HN 0.304 nan 8.370 nan 0.000 0.460 449 G N 0.087 108.935 108.800 0.080 0.000 2.408 449 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 449 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 449 G C 1.704 176.626 174.900 0.038 0.000 1.150 449 G CA 0.532 45.662 45.100 0.051 0.000 0.776 449 G HN 0.336 nan 8.290 nan 0.000 0.542 450 I N -0.285 120.312 120.570 0.044 0.000 2.179 450 I HA -0.114 4.056 4.170 -0.000 0.000 0.242 450 I C 2.252 178.274 176.117 -0.158 0.000 1.088 450 I CA 1.007 62.265 61.300 -0.071 0.000 1.357 450 I CB -0.248 37.692 38.000 -0.100 0.000 1.051 450 I HN 0.065 nan 8.210 nan 0.000 0.409 451 F N 0.785 120.725 119.950 -0.016 0.000 2.604 451 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 451 F C 2.450 178.243 175.800 -0.012 0.000 1.131 451 F CA 0.959 58.950 58.000 -0.016 0.000 1.457 451 F CB -0.348 38.640 39.000 -0.019 0.000 1.095 451 F HN 0.146 nan 8.300 nan 0.000 0.574 452 E N -0.153 120.114 120.200 0.113 0.000 2.076 452 E HA -0.193 4.157 4.350 -0.000 0.000 0.190 452 E C 2.193 178.807 176.600 0.023 0.000 0.979 452 E CA 0.719 57.158 56.400 0.065 0.000 0.807 452 E CB 0.003 29.731 29.700 0.046 0.000 0.761 452 E HN 0.193 nan 8.360 nan 0.000 0.454 453 Q N 1.041 120.835 119.800 -0.009 0.000 2.084 453 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 453 Q C 2.013 177.987 176.000 -0.043 0.000 0.978 453 Q CA 1.429 57.213 55.803 -0.033 0.000 0.844 453 Q CB -0.081 28.622 28.738 -0.057 0.000 0.898 453 Q HN 0.258 nan 8.270 nan 0.000 0.426 454 K N 0.385 120.738 120.400 -0.077 0.000 2.063 454 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 454 K C 1.993 178.592 176.600 -0.002 0.000 1.048 454 K CA 1.445 57.686 56.287 -0.077 0.000 0.928 454 K CB -0.037 32.366 32.500 -0.161 0.000 0.713 454 K HN 0.310 nan 8.250 nan 0.000 0.442 455 E N 0.671 120.889 120.200 0.029 0.000 2.110 455 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 455 E C 2.030 178.647 176.600 0.027 0.000 0.988 455 E CA 0.960 57.386 56.400 0.043 0.000 0.804 455 E CB -0.083 29.647 29.700 0.051 0.000 0.745 455 E HN 0.275 nan 8.360 nan 0.000 0.458 456 L N 0.681 121.912 121.223 0.014 0.000 2.156 456 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 456 L C 1.515 178.387 176.870 0.004 0.000 1.095 456 L CA 1.073 55.917 54.840 0.008 0.000 0.770 456 L CB -0.257 41.802 42.059 0.000 0.000 0.914 456 L HN 0.087 nan 8.230 nan 0.000 0.439 457 E N -0.055 120.142 120.200 -0.004 0.000 2.419 457 E HA -0.021 4.329 4.350 -0.000 0.000 0.190 457 E C 1.551 178.156 176.600 0.008 0.000 1.040 457 E CA -0.279 56.115 56.400 -0.011 0.000 0.900 457 E CB 0.314 29.993 29.700 -0.035 0.000 1.054 457 E HN 0.179 nan 8.360 nan 0.000 0.462 458 L N 1.479 122.726 121.223 0.040 0.000 2.189 458 L HA -0.196 4.144 4.340 -0.000 0.000 0.214 458 L C 1.340 178.299 176.870 0.148 0.000 1.097 458 L CA 1.800 56.701 54.840 0.102 0.000 0.764 458 L CB -0.038 42.075 42.059 0.090 0.000 0.900 458 L HN 0.135 nan 8.230 nan 0.000 0.436 459 D N -1.866 118.584 120.400 0.083 0.000 2.339 459 D HA -0.035 4.605 4.640 -0.000 0.000 0.217 459 D C 1.599 177.902 176.300 0.005 0.000 1.050 459 D CA 0.184 54.235 54.000 0.084 0.000 0.856 459 D CB 0.363 41.198 40.800 0.059 0.000 0.922 459 D HN 0.539 nan 8.370 nan 0.000 0.518 460 Q N 0.096 119.875 119.800 -0.036 0.000 2.398 460 Q HA 0.130 4.470 4.340 -0.000 0.000 0.204 460 Q C 0.818 176.723 176.000 -0.159 0.000 0.932 460 Q CA 0.208 55.964 55.803 -0.078 0.000 0.916 460 Q CB 0.790 29.491 28.738 -0.062 0.000 1.024 460 Q HN 0.233 nan 8.270 nan 0.000 0.504 461 L N 1.602 122.664 121.223 -0.268 0.000 2.452 461 L HA 0.073 4.413 4.340 -0.000 0.000 0.267 461 L C 0.188 176.684 176.870 -0.623 0.000 1.188 461 L CA 0.183 54.731 54.840 -0.487 0.000 0.821 461 L CB 0.534 42.156 42.059 -0.728 0.000 1.102 461 L HN 0.083 nan 8.230 nan 0.000 0.470 462 E N 2.391 122.306 120.200 -0.475 0.000 2.070 462 E HA 0.231 4.581 4.350 -0.000 0.000 0.261 462 E C -1.160 175.264 176.600 -0.293 0.000 0.926 462 E CA -0.290 55.924 56.400 -0.310 0.000 0.760 462 E CB 0.672 30.281 29.700 -0.152 0.000 1.133 462 E HN 0.332 nan 8.360 nan 0.000 0.420 463 Y N 0.419 120.727 120.300 0.013 0.000 2.296 463 Y HA -0.129 4.421 4.550 -0.000 0.000 0.343 463 Y C 1.727 177.666 175.900 0.064 0.000 1.292 463 Y CA -0.342 57.784 58.100 0.042 0.000 1.490 463 Y CB 0.227 38.712 38.460 0.042 0.000 1.359 463 Y HN 0.541 nan 8.280 nan 0.000 0.599 464 Y N 0.778 121.186 120.300 0.180 0.000 2.062 464 Y HA -0.419 4.131 4.550 -0.000 0.000 0.273 464 Y C 2.278 178.221 175.900 0.072 0.000 1.206 464 Y CA 2.298 60.445 58.100 0.078 0.000 1.125 464 Y CB -0.170 38.292 38.460 0.003 0.000 0.951 464 Y HN 0.575 nan 8.280 nan 0.000 0.501 465 Q N 0.303 120.154 119.800 0.084 0.000 2.030 465 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 465 Q C 2.345 178.293 176.000 -0.087 0.000 0.986 465 Q CA 2.040 57.823 55.803 -0.034 0.000 0.843 465 Q CB -0.716 28.070 28.738 0.081 0.000 0.904 465 Q HN 0.743 nan 8.270 nan 0.000 0.420 466 E N 0.434 120.628 120.200 -0.011 0.000 2.118 466 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 466 E C 1.885 178.444 176.600 -0.068 0.000 0.992 466 E CA 0.816 57.199 56.400 -0.028 0.000 0.804 466 E CB 0.134 29.830 29.700 -0.008 0.000 0.741 466 E HN 0.220 nan 8.360 nan 0.000 0.458 467 R N -0.122 120.321 120.500 -0.096 0.000 2.189 467 R HA 0.000 4.340 4.340 -0.000 0.000 0.218 467 R C 2.468 178.681 176.300 -0.144 0.000 1.074 467 R CA 0.426 56.469 56.100 -0.095 0.000 0.991 467 R CB -0.166 30.106 30.300 -0.048 0.000 0.883 467 R HN 0.076 nan 8.270 nan 0.000 0.457 468 R N 1.076 121.416 120.500 -0.266 0.000 2.148 468 R HA 0.001 4.341 4.340 -0.000 0.000 0.223 468 R C 1.673 177.904 176.300 -0.115 0.000 1.088 468 R CA 0.892 56.845 56.100 -0.245 0.000 0.985 468 R CB 0.067 30.144 30.300 -0.372 0.000 0.880 468 R HN 0.232 nan 8.270 nan 0.000 0.451 469 L N 0.508 121.676 121.223 -0.093 0.000 2.592 469 L HA 0.037 4.377 4.340 -0.000 0.000 0.227 469 L C 1.804 178.650 176.870 -0.040 0.000 1.127 469 L CA 0.038 54.845 54.840 -0.054 0.000 0.884 469 L CB -0.046 41.987 42.059 -0.043 0.000 1.065 469 L HN -0.107 nan 8.230 nan 0.000 0.457 470 K N 0.875 121.249 120.400 -0.043 0.000 2.281 470 K HA -0.171 4.149 4.320 -0.000 0.000 0.203 470 K C 1.044 177.631 176.600 -0.022 0.000 1.046 470 K CA 1.176 57.446 56.287 -0.030 0.000 0.938 470 K CB -0.278 32.205 32.500 -0.028 0.000 0.737 470 K HN 0.505 nan 8.250 nan 0.000 0.458 471 D N -0.092 120.295 120.400 -0.021 0.000 2.427 471 D HA -0.016 4.624 4.640 -0.000 0.000 0.224 471 D C 1.485 177.776 176.300 -0.014 0.000 1.157 471 D CA -0.147 53.845 54.000 -0.014 0.000 0.828 471 D CB -0.190 40.605 40.800 -0.009 0.000 0.974 471 D HN 0.074 nan 8.370 nan 0.000 0.498 472 L N 0.827 122.040 121.223 -0.017 0.000 2.046 472 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 472 L C 1.607 178.469 176.870 -0.013 0.000 1.077 472 L CA 1.357 56.188 54.840 -0.015 0.000 0.747 472 L CB -0.656 41.393 42.059 -0.016 0.000 0.896 472 L HN 0.388 nan 8.230 nan 0.000 0.432 473 G N -0.294 108.499 108.800 -0.012 0.000 2.338 473 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.296 473 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.296 473 G C 0.728 175.621 174.900 -0.010 0.000 1.040 473 G CA 0.403 45.497 45.100 -0.011 0.000 1.004 473 G HN 0.331 nan 8.290 nan 0.000 0.509 474 L N -1.354 119.863 121.223 -0.011 0.000 2.046 474 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 474 L C 2.115 178.980 176.870 -0.009 0.000 1.077 474 L CA 1.437 56.271 54.840 -0.010 0.000 0.747 474 L CB -0.319 41.735 42.059 -0.009 0.000 0.896 474 L HN 0.486 nan 8.230 nan 0.000 0.432 475 C N 1.157 120.452 119.300 -0.009 0.000 2.865 475 C HA 0.396 4.856 4.460 -0.000 0.000 0.545 475 C C 1.485 176.470 174.990 -0.008 0.000 1.154 475 C CA -0.738 58.275 59.018 -0.008 0.000 1.375 475 C CB -1.702 26.033 27.740 -0.008 0.000 1.627 475 C HN 0.491 nan 8.230 nan 0.000 0.623 476 G N 1.282 110.077 108.800 -0.008 0.000 3.380 476 G HA2 0.392 4.352 3.960 -0.000 0.000 0.188 476 G HA3 0.392 4.352 3.960 -0.000 0.000 0.188 476 G C 0.083 174.978 174.900 -0.008 0.000 1.892 476 G CA -0.070 45.025 45.100 -0.008 0.000 0.912 476 G HN 0.619 nan 8.290 nan 0.000 0.609 477 E N -0.541 119.654 120.200 -0.009 0.000 2.390 477 E HA 0.343 4.693 4.350 -0.000 0.000 0.249 477 E C -0.935 175.659 176.600 -0.009 0.000 0.981 477 E CA -0.883 55.512 56.400 -0.008 0.000 0.860 477 E CB 1.184 30.878 29.700 -0.009 0.000 1.278 477 E HN 0.183 nan 8.360 nan 0.000 0.416 478 N N -0.213 118.482 118.700 -0.007 0.000 3.324 478 N HA 0.138 4.878 4.740 -0.000 0.000 0.302 478 N C 0.852 176.357 175.510 -0.009 0.000 1.360 478 N CA 0.265 53.312 53.050 -0.006 0.000 1.190 478 N CB -0.007 38.477 38.487 -0.004 0.000 1.462 478 N HN 0.694 nan 8.380 nan 0.000 0.532 479 G N 0.583 109.375 108.800 -0.014 0.000 2.581 479 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.223 479 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.223 479 G C 1.102 175.989 174.900 -0.022 0.000 1.094 479 G CA 0.620 45.706 45.100 -0.023 0.000 0.736 479 G HN 0.561 nan 8.290 nan 0.000 0.588 480 D N 0.323 120.718 120.400 -0.009 0.000 2.182 480 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 480 D C 2.468 178.769 176.300 0.002 0.000 0.986 480 D CA 0.724 54.725 54.000 0.002 0.000 0.847 480 D CB -0.024 40.781 40.800 0.008 0.000 0.942 480 D HN 0.435 nan 8.370 nan 0.000 0.467 481 I N 0.546 121.115 120.570 -0.002 0.000 2.286 481 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 481 I C 2.653 178.767 176.117 -0.004 0.000 1.104 481 I CA 0.385 61.686 61.300 0.000 0.000 1.397 481 I CB -0.152 37.848 38.000 -0.001 0.000 1.072 481 I HN 0.048 nan 8.210 nan 0.000 0.417 482 L N 0.544 121.760 121.223 -0.012 0.000 2.156 482 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 482 L C 2.239 179.091 176.870 -0.029 0.000 1.095 482 L CA 1.395 56.228 54.840 -0.011 0.000 0.770 482 L CB -0.043 42.010 42.059 -0.011 0.000 0.914 482 L HN 0.147 nan 8.230 nan 0.000 0.439 483 E N -0.331 119.828 120.200 -0.068 0.000 2.274 483 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 483 E C 1.734 178.304 176.600 -0.051 0.000 0.996 483 E CA 0.439 56.750 56.400 -0.149 0.000 0.840 483 E CB -0.037 29.611 29.700 -0.087 0.000 0.772 483 E HN 0.366 nan 8.360 nan 0.000 0.491 484 N N -0.160 118.544 118.700 0.007 0.000 2.494 484 N HA -0.052 4.688 4.740 -0.000 0.000 0.182 484 N C 1.138 176.673 175.510 0.041 0.000 1.076 484 N CA 0.553 53.630 53.050 0.046 0.000 0.908 484 N CB 0.296 38.803 38.487 0.034 0.000 0.967 484 N HN 0.237 nan 8.380 nan 0.000 0.449 485 L N -1.167 120.065 121.223 0.015 0.000 2.467 485 L HA 0.051 4.391 4.340 -0.000 0.000 0.213 485 L C 1.967 178.828 176.870 -0.014 0.000 1.053 485 L CA -0.039 54.804 54.840 0.005 0.000 0.847 485 L CB -0.552 41.500 42.059 -0.010 0.000 1.075 485 L HN -0.016 nan 8.230 nan 0.000 0.479 486 Y N 1.538 121.715 120.300 -0.205 0.000 1.993 486 Y HA -0.247 4.303 4.550 -0.000 0.000 0.267 486 Y C 0.917 176.675 175.900 -0.236 0.000 1.155 486 Y CA 1.092 58.995 58.100 -0.328 0.000 1.105 486 Y CB -0.453 37.613 38.460 -0.657 0.000 0.960 486 Y HN -0.172 nan 8.280 nan 0.000 0.486 487 F N 1.169 121.301 119.950 0.303 0.000 2.450 487 F HA 0.065 4.592 4.527 -0.000 0.000 0.339 487 F C 1.035 176.880 175.800 0.075 0.000 1.146 487 F CA -1.078 57.032 58.000 0.184 0.000 1.267 487 F CB 0.210 39.299 39.000 0.148 0.000 1.178 487 F HN 0.121 nan 8.300 nan 0.000 0.585 488 Q N 0.000 119.957 119.800 0.262 0.000 2.315 488 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 488 Q CA 0.000 55.881 55.803 0.130 0.000 1.022 488 Q CB 0.000 28.793 28.738 0.092 0.000 1.108 488 Q HN 0.000 nan 8.270 nan 0.000 0.481