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 2x1c_1_C DATA FIRST_RESID 1 DATA SEQUENCE MLHILCQGTP FEIGYEHGSA AKAVIARSID FAVDLIRGKT KKTDEELKQV DATA SEQUENCE LSQLGRVIEE RWPKYYEEIR GIAKGAERDV SEIVMLNTRT EFAYGLKAAR DATA SEQUENCE DGATTAYCQL PNGALQGQNW DFFSATKENL IRLTIRQAGL PTIKFITEAG DATA SEQUENCE IIGKVGFNSA GVAVNYNALH LQGLRPTGVP SHIALRIALE STSPSQAYDR DATA SEQUENCE IVEQGGMAAS AFIMVGNGHE AFGLEFSPTS IRKQVLDANG RMVHTNHCLL DATA SEQUENCE QHGKNEKELD PLPDSWNRHQ RMEFLLDGFD GTKQAFAQLW ADEDNYPFSI DATA SEQUENCE CRAYEEGKSR GATLFNIIYD HARREATVRL GRPTNPDEMF VMRFDEEDER DATA SEQUENCE SALNA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.191 176.300 -0.182 0.000 1.140 1 M CA 0.000 55.216 55.300 -0.139 0.000 0.988 1 M CB 0.000 32.515 32.600 -0.142 0.000 1.302 2 L N 5.464 126.613 121.223 -0.124 0.000 2.559 2 L HA 0.169 4.510 4.340 0.001 0.000 0.274 2 L C -0.949 175.851 176.870 -0.117 0.000 1.205 2 L CA 1.186 55.959 54.840 -0.113 0.000 0.907 2 L CB 0.072 42.073 42.059 -0.095 0.000 1.153 2 L HN 0.658 nan 8.230 nan 0.000 0.490 3 H N 6.161 125.094 119.070 -0.228 0.000 2.489 3 H HA 0.517 5.074 4.556 0.001 0.000 0.343 3 H C -1.193 174.021 175.328 -0.190 0.000 1.086 3 H CA -1.075 54.828 56.048 -0.243 0.000 1.198 3 H CB 1.197 30.802 29.762 -0.262 0.000 1.490 3 H HN 0.667 nan 8.280 nan 0.000 0.504 4 I N 6.222 126.538 120.570 -0.422 0.000 2.410 4 I HA 0.090 4.260 4.170 0.001 0.000 0.286 4 I C -0.751 175.074 176.117 -0.487 0.000 1.009 4 I CA -0.928 60.110 61.300 -0.436 0.000 1.111 4 I CB 1.940 39.781 38.000 -0.265 0.000 1.262 4 I HN 0.361 nan 8.210 nan 0.000 0.443 5 L N 7.680 128.610 121.223 -0.488 0.000 2.315 5 L HA 0.417 4.758 4.340 0.001 0.000 0.283 5 L C -0.686 176.116 176.870 -0.113 0.000 1.089 5 L CA 0.313 55.003 54.840 -0.250 0.000 0.833 5 L CB 0.304 42.244 42.059 -0.198 0.000 1.170 5 L HN 0.668 nan 8.230 nan 0.000 0.442 6 C N 5.073 124.345 119.300 -0.046 0.000 2.345 6 C HA 0.727 5.187 4.460 0.001 0.000 0.323 6 C C -0.145 174.867 174.990 0.037 0.000 1.276 6 C CA -0.657 58.362 59.018 0.003 0.000 1.543 6 C CB 0.782 28.533 27.740 0.019 0.000 2.211 6 C HN 0.849 nan 8.230 nan 0.000 0.493 7 Q N 1.574 121.399 119.800 0.042 0.000 2.340 7 Q HA 0.638 4.978 4.340 0.001 0.000 0.276 7 Q C -0.039 175.994 176.000 0.056 0.000 1.048 7 Q CA 0.415 56.247 55.803 0.050 0.000 0.832 7 Q CB 2.188 30.949 28.738 0.038 0.000 1.373 7 Q HN 1.207 nan 8.270 nan 0.000 0.409 8 G N 0.749 109.585 108.800 0.060 0.000 2.250 8 G HA2 -0.085 3.875 3.960 0.001 0.000 0.196 8 G HA3 -0.085 3.875 3.960 0.001 0.000 0.196 8 G C -0.582 174.363 174.900 0.075 0.000 1.308 8 G CA -0.311 44.826 45.100 0.062 0.000 1.207 8 G HN 0.958 nan 8.290 nan 0.000 0.505 9 T N -0.042 114.565 114.554 0.088 0.000 2.813 9 T HA 0.535 4.886 4.350 0.001 0.000 0.297 9 T C -1.106 173.675 174.700 0.134 0.000 1.036 9 T CA -0.143 62.020 62.100 0.106 0.000 1.044 9 T CB 1.548 70.485 68.868 0.115 0.000 0.993 9 T HN 0.269 nan 8.240 nan 0.000 0.535 10 P HA -0.073 nan 4.420 nan 0.000 0.216 10 P C 1.192 178.596 177.300 0.173 0.000 1.153 10 P CA 0.868 64.065 63.100 0.161 0.000 0.858 10 P CB -0.132 31.671 31.700 0.172 0.000 0.789 11 F N 0.760 120.753 119.950 0.071 0.000 2.113 11 F HA -0.155 4.372 4.527 0.001 0.000 0.297 11 F C 2.075 177.932 175.800 0.095 0.000 1.103 11 F CA 1.583 59.624 58.000 0.069 0.000 1.248 11 F CB -0.448 38.577 39.000 0.042 0.000 0.999 11 F HN -0.098 nan 8.300 nan 0.000 0.475 12 E N 0.405 120.745 120.200 0.233 0.000 2.077 12 E HA -0.228 4.123 4.350 0.001 0.000 0.193 12 E C 2.303 178.959 176.600 0.094 0.000 0.989 12 E CA 1.719 58.208 56.400 0.149 0.000 0.800 12 E CB -0.284 29.495 29.700 0.132 0.000 0.746 12 E HN 0.485 nan 8.360 nan 0.000 0.452 13 I N 0.832 121.453 120.570 0.085 0.000 2.163 13 I HA -0.229 3.942 4.170 0.001 0.000 0.243 13 I C 2.546 178.699 176.117 0.061 0.000 1.085 13 I CA 1.396 62.743 61.300 0.079 0.000 1.347 13 I CB -0.501 37.559 38.000 0.100 0.000 1.044 13 I HN 0.177 nan 8.210 nan 0.000 0.408 14 G N -0.596 108.202 108.800 -0.003 0.000 2.402 14 G HA2 -0.316 3.644 3.960 0.001 0.000 0.216 14 G HA3 -0.316 3.644 3.960 0.001 0.000 0.216 14 G C 1.648 176.454 174.900 -0.156 0.000 1.162 14 G CA 0.591 45.638 45.100 -0.088 0.000 0.777 14 G HN 0.360 nan 8.290 nan 0.000 0.539 15 Y N 1.289 121.389 120.300 -0.334 0.000 2.181 15 Y HA -0.133 4.417 4.550 0.001 0.000 0.288 15 Y C 2.800 178.627 175.900 -0.122 0.000 1.146 15 Y CA 2.134 60.062 58.100 -0.288 0.000 1.164 15 Y CB -0.003 38.284 38.460 -0.288 0.000 0.982 15 Y HN 0.294 nan 8.280 nan 0.000 0.515 16 E N -0.611 119.637 120.200 0.079 0.000 2.051 16 E HA -0.262 4.089 4.350 0.001 0.000 0.192 16 E C 2.179 178.768 176.600 -0.019 0.000 0.991 16 E CA 2.002 58.423 56.400 0.035 0.000 0.799 16 E CB -0.675 29.055 29.700 0.050 0.000 0.748 16 E HN 0.731 nan 8.360 nan 0.000 0.449 17 H N -1.307 117.689 119.070 -0.124 0.000 2.267 17 H HA -0.106 4.451 4.556 0.001 0.000 0.297 17 H C 1.952 177.175 175.328 -0.175 0.000 1.080 17 H CA 1.370 57.336 56.048 -0.136 0.000 1.278 17 H CB -0.315 29.384 29.762 -0.104 0.000 1.365 17 H HN 0.303 nan 8.280 nan 0.000 0.489 18 G N -0.560 108.131 108.800 -0.181 0.000 2.418 18 G HA2 -0.330 3.630 3.960 0.001 0.000 0.217 18 G HA3 -0.330 3.630 3.960 0.001 0.000 0.217 18 G C 1.921 176.659 174.900 -0.270 0.000 1.158 18 G CA 0.916 45.840 45.100 -0.293 0.000 0.771 18 G HN 0.489 nan 8.290 nan 0.000 0.545 19 S N 0.893 116.371 115.700 -0.369 0.000 2.345 19 S HA 0.064 4.534 4.470 0.001 0.000 0.220 19 S C 2.709 177.214 174.600 -0.158 0.000 1.031 19 S CA 1.725 59.735 58.200 -0.318 0.000 0.996 19 S CB -0.545 62.419 63.200 -0.394 0.000 0.882 19 S HN 0.551 nan 8.310 nan 0.000 0.445 20 A N 0.502 123.253 122.820 -0.115 0.000 2.015 20 A HA 0.425 4.745 4.320 0.001 0.000 0.219 20 A C 1.975 179.521 177.584 -0.063 0.000 1.163 20 A CA 1.464 53.453 52.037 -0.080 0.000 0.646 20 A CB -0.714 18.236 19.000 -0.083 0.000 0.806 20 A HN 0.827 nan 8.150 nan 0.000 0.448 21 A N -0.977 121.817 122.820 -0.044 0.000 2.500 21 A HA 0.316 4.636 4.320 0.001 0.000 0.267 21 A C 1.576 179.135 177.584 -0.042 0.000 1.290 21 A CA 0.566 52.590 52.037 -0.022 0.000 0.928 21 A CB -0.288 18.746 19.000 0.056 0.000 1.066 21 A HN 0.469 nan 8.150 nan 0.000 0.516 22 K N 0.551 120.909 120.400 -0.071 0.000 2.034 22 K HA -0.245 4.075 4.320 0.001 0.000 0.214 22 K C 1.992 178.563 176.600 -0.048 0.000 1.051 22 K CA 1.855 58.096 56.287 -0.077 0.000 0.931 22 K CB -0.275 32.173 32.500 -0.085 0.000 0.715 22 K HN 0.429 nan 8.250 nan 0.000 0.446 23 A N 0.322 123.120 122.820 -0.036 0.000 1.969 23 A HA -0.072 4.249 4.320 0.001 0.000 0.218 23 A C 2.188 179.765 177.584 -0.012 0.000 1.169 23 A CA 1.543 53.567 52.037 -0.021 0.000 0.635 23 A CB -0.349 18.640 19.000 -0.019 0.000 0.810 23 A HN 0.210 nan 8.150 nan 0.000 0.445 24 V N 0.033 119.939 119.914 -0.013 0.000 2.379 24 V HA -0.211 3.910 4.120 0.001 0.000 0.245 24 V C 2.355 178.454 176.094 0.007 0.000 1.044 24 V CA 1.726 64.025 62.300 -0.002 0.000 1.036 24 V CB -0.719 31.101 31.823 -0.005 0.000 0.664 24 V HN 0.553 nan 8.190 nan 0.000 0.453 25 I N 0.818 121.383 120.570 -0.007 0.000 2.226 25 I HA -0.258 3.913 4.170 0.001 0.000 0.245 25 I C 2.716 178.834 176.117 0.001 0.000 1.100 25 I CA 1.503 62.795 61.300 -0.013 0.000 1.374 25 I CB -0.578 37.386 38.000 -0.060 0.000 1.057 25 I HN 0.288 nan 8.210 nan 0.000 0.413 26 A N 0.885 123.703 122.820 -0.004 0.000 1.883 26 A HA -0.239 4.081 4.320 0.001 0.000 0.217 26 A C 2.414 180.019 177.584 0.035 0.000 1.186 26 A CA 1.679 53.722 52.037 0.009 0.000 0.624 26 A CB -0.618 18.383 19.000 0.000 0.000 0.822 26 A HN 0.324 nan 8.150 nan 0.000 0.444 27 R N -0.508 120.015 120.500 0.039 0.000 2.081 27 R HA -0.078 4.262 4.340 0.001 0.000 0.235 27 R C 2.540 178.908 176.300 0.113 0.000 1.131 27 R CA 1.551 57.691 56.100 0.066 0.000 0.960 27 R CB -0.441 29.887 30.300 0.046 0.000 0.856 27 R HN 0.515 nan 8.270 nan 0.000 0.436 28 S N 0.937 116.696 115.700 0.098 0.000 2.368 28 S HA -0.066 4.404 4.470 0.001 0.000 0.225 28 S C 1.978 176.683 174.600 0.176 0.000 1.030 28 S CA 0.971 59.257 58.200 0.142 0.000 0.999 28 S CB -0.111 63.149 63.200 0.100 0.000 0.844 28 S HN 0.210 nan 8.310 nan 0.000 0.459 29 I N 1.550 122.186 120.570 0.110 0.000 2.202 29 I HA -0.188 3.983 4.170 0.001 0.000 0.242 29 I C 2.034 178.216 176.117 0.108 0.000 1.091 29 I CA 1.137 62.493 61.300 0.094 0.000 1.368 29 I CB -0.389 37.638 38.000 0.044 0.000 1.058 29 I HN 0.159 nan 8.210 nan 0.000 0.410 30 D N 0.547 121.008 120.400 0.101 0.000 2.117 30 D HA -0.210 4.430 4.640 0.001 0.000 0.197 30 D C 1.937 178.294 176.300 0.095 0.000 0.987 30 D CA 1.294 55.342 54.000 0.081 0.000 0.829 30 D CB -0.321 40.520 40.800 0.069 0.000 0.961 30 D HN 0.240 nan 8.370 nan 0.000 0.460 31 F N 1.489 121.452 119.950 0.022 0.000 2.102 31 F HA -0.162 4.365 4.527 0.001 0.000 0.298 31 F C 2.224 178.044 175.800 0.034 0.000 1.105 31 F CA 1.616 59.621 58.000 0.008 0.000 1.239 31 F CB -0.157 38.860 39.000 0.029 0.000 0.991 31 F HN -0.063 nan 8.300 nan 0.000 0.474 32 A N -0.275 122.697 122.820 0.254 0.000 1.877 32 A HA -0.135 4.186 4.320 0.001 0.000 0.216 32 A C 2.297 179.938 177.584 0.096 0.000 1.186 32 A CA 1.978 54.144 52.037 0.215 0.000 0.620 32 A CB -1.381 17.774 19.000 0.259 0.000 0.822 32 A HN 0.259 nan 8.150 nan 0.000 0.443 33 V N 0.678 120.641 119.914 0.082 0.000 2.295 33 V HA -0.265 3.855 4.120 0.001 0.000 0.246 33 V C 2.223 178.305 176.094 -0.019 0.000 1.049 33 V CA 2.434 64.774 62.300 0.066 0.000 1.024 33 V CB -0.894 30.965 31.823 0.060 0.000 0.648 33 V HN 0.502 nan 8.190 nan 0.000 0.447 34 D N -0.308 120.032 120.400 -0.099 0.000 2.123 34 D HA -0.155 4.485 4.640 0.001 0.000 0.196 34 D C 1.897 178.054 176.300 -0.239 0.000 0.992 34 D CA 1.129 55.024 54.000 -0.175 0.000 0.833 34 D CB -0.323 40.334 40.800 -0.239 0.000 0.954 34 D HN 0.340 nan 8.370 nan 0.000 0.455 35 L N 0.356 121.380 121.223 -0.332 0.000 2.017 35 L HA -0.083 4.257 4.340 0.001 0.000 0.208 35 L C 2.060 178.855 176.870 -0.125 0.000 1.073 35 L CA 1.429 56.084 54.840 -0.310 0.000 0.745 35 L CB -0.377 41.484 42.059 -0.329 0.000 0.894 35 L HN -0.012 nan 8.230 nan 0.000 0.432 36 I N -0.966 119.570 120.570 -0.057 0.000 2.193 36 I HA -0.206 3.964 4.170 0.001 0.000 0.240 36 I C 2.549 178.633 176.117 -0.056 0.000 1.084 36 I CA 0.933 62.205 61.300 -0.048 0.000 1.365 36 I CB -0.397 37.580 38.000 -0.039 0.000 1.064 36 I HN 0.146 nan 8.210 nan 0.000 0.410 37 R N 0.764 121.244 120.500 -0.033 0.000 2.159 37 R HA -0.131 4.210 4.340 0.001 0.000 0.237 37 R C 2.215 178.489 176.300 -0.043 0.000 1.131 37 R CA 1.412 57.496 56.100 -0.026 0.000 0.982 37 R CB -0.738 29.555 30.300 -0.011 0.000 0.868 37 R HN 0.487 nan 8.270 nan 0.000 0.453 38 G N 0.471 109.231 108.800 -0.067 0.000 2.484 38 G HA2 -0.153 3.808 3.960 0.001 0.000 0.218 38 G HA3 -0.153 3.808 3.960 0.001 0.000 0.218 38 G C 1.434 176.303 174.900 -0.052 0.000 1.130 38 G CA 0.328 45.387 45.100 -0.069 0.000 0.784 38 G HN 0.128 nan 8.290 nan 0.000 0.543 39 K N -0.559 119.812 120.400 -0.049 0.000 2.502 39 K HA 0.127 4.447 4.320 0.001 0.000 0.211 39 K C 0.803 177.380 176.600 -0.038 0.000 1.259 39 K CA -0.044 56.220 56.287 -0.037 0.000 0.983 39 K CB 0.482 32.965 32.500 -0.029 0.000 1.054 39 K HN 0.170 nan 8.250 nan 0.000 0.572 40 T N 1.110 115.635 114.554 -0.048 0.000 2.898 40 T HA 0.124 4.474 4.350 0.001 0.000 0.301 40 T C 0.995 175.678 174.700 -0.030 0.000 1.049 40 T CA 0.218 62.288 62.100 -0.052 0.000 1.095 40 T CB 0.863 69.683 68.868 -0.080 0.000 0.976 40 T HN 0.030 nan 8.240 nan 0.000 0.539 41 K N 1.721 122.109 120.400 -0.021 0.000 2.352 41 K HA 0.162 4.483 4.320 0.001 0.000 0.194 41 K C 0.624 177.223 176.600 -0.001 0.000 1.038 41 K CA 0.197 56.479 56.287 -0.008 0.000 1.023 41 K CB 0.312 32.812 32.500 -0.000 0.000 0.840 41 K HN 0.448 nan 8.250 nan 0.000 0.519 42 K N 2.151 122.548 120.400 -0.005 0.000 2.295 42 K HA 0.033 4.353 4.320 0.001 0.000 0.270 42 K C 0.509 177.117 176.600 0.014 0.000 1.011 42 K CA 0.026 56.318 56.287 0.008 0.000 0.953 42 K CB 0.842 33.346 32.500 0.006 0.000 0.956 42 K HN 0.094 nan 8.250 nan 0.000 0.477 43 T N -1.316 113.253 114.554 0.025 0.000 2.766 43 T HA 0.030 4.381 4.350 0.001 0.000 0.295 43 T C 0.792 175.519 174.700 0.045 0.000 1.024 43 T CA -0.668 61.450 62.100 0.030 0.000 1.018 43 T CB 0.598 69.484 68.868 0.030 0.000 1.002 43 T HN 0.393 nan 8.240 nan 0.000 0.532 44 D N -0.024 120.403 120.400 0.046 0.000 2.178 44 D HA -0.071 4.570 4.640 0.001 0.000 0.201 44 D C 1.909 178.252 176.300 0.071 0.000 0.980 44 D CA 1.094 55.132 54.000 0.063 0.000 0.842 44 D CB -0.178 40.652 40.800 0.050 0.000 0.948 44 D HN 0.795 nan 8.370 nan 0.000 0.472 45 E N 1.274 121.508 120.200 0.056 0.000 2.072 45 E HA -0.140 4.211 4.350 0.001 0.000 0.191 45 E C 1.725 178.365 176.600 0.067 0.000 0.985 45 E CA 1.143 57.576 56.400 0.055 0.000 0.801 45 E CB -0.053 29.672 29.700 0.041 0.000 0.750 45 E HN 0.288 nan 8.360 nan 0.000 0.452 46 E N -0.147 120.094 120.200 0.068 0.000 2.106 46 E HA -0.121 4.230 4.350 0.001 0.000 0.192 46 E C 2.178 178.849 176.600 0.118 0.000 0.984 46 E CA 1.029 57.475 56.400 0.076 0.000 0.806 46 E CB -0.108 29.628 29.700 0.059 0.000 0.750 46 E HN 0.287 nan 8.360 nan 0.000 0.458 47 L N 1.028 122.339 121.223 0.146 0.000 2.046 47 L HA -0.191 4.150 4.340 0.001 0.000 0.208 47 L C 2.634 179.673 176.870 0.283 0.000 1.077 47 L CA 1.143 56.151 54.840 0.281 0.000 0.747 47 L CB -0.393 41.846 42.059 0.299 0.000 0.896 47 L HN 0.063 nan 8.230 nan 0.000 0.432 48 K N -0.263 120.234 120.400 0.161 0.000 2.063 48 K HA -0.225 4.095 4.320 0.001 0.000 0.208 48 K C 2.209 178.860 176.600 0.084 0.000 1.048 48 K CA 1.360 57.705 56.287 0.097 0.000 0.928 48 K CB 0.087 32.629 32.500 0.069 0.000 0.713 48 K HN 0.277 nan 8.250 nan 0.000 0.442 49 Q N 0.250 120.105 119.800 0.092 0.000 2.123 49 Q HA -0.090 4.251 4.340 0.001 0.000 0.199 49 Q C 2.277 178.334 176.000 0.094 0.000 0.966 49 Q CA 0.979 56.828 55.803 0.077 0.000 0.845 49 Q CB -0.260 28.517 28.738 0.066 0.000 0.907 49 Q HN 0.190 nan 8.270 nan 0.000 0.439 50 V N 1.515 121.517 119.914 0.146 0.000 2.287 50 V HA -0.260 3.861 4.120 0.001 0.000 0.248 50 V C 2.444 178.626 176.094 0.147 0.000 1.053 50 V CA 1.547 63.959 62.300 0.188 0.000 1.027 50 V CB -0.636 31.378 31.823 0.320 0.000 0.646 50 V HN 0.278 nan 8.190 nan 0.000 0.447 51 L N -0.436 120.837 121.223 0.083 0.000 2.093 51 L HA -0.158 4.182 4.340 0.001 0.000 0.208 51 L C 2.706 179.579 176.870 0.004 0.000 1.085 51 L CA 1.687 56.491 54.840 -0.061 0.000 0.755 51 L CB -0.559 41.370 42.059 -0.217 0.000 0.904 51 L HN 0.378 nan 8.230 nan 0.000 0.435 52 S N -0.526 115.192 115.700 0.030 0.000 2.356 52 S HA -0.286 4.185 4.470 0.001 0.000 0.223 52 S C 1.969 176.591 174.600 0.037 0.000 1.032 52 S CA 1.784 60.005 58.200 0.037 0.000 1.005 52 S CB -0.098 63.124 63.200 0.037 0.000 0.867 52 S HN 0.465 nan 8.310 nan 0.000 0.449 53 Q N 0.183 120.010 119.800 0.045 0.000 2.050 53 Q HA -0.101 4.239 4.340 0.001 0.000 0.202 53 Q C 2.215 178.245 176.000 0.050 0.000 0.980 53 Q CA 1.694 57.522 55.803 0.040 0.000 0.840 53 Q CB -0.301 28.467 28.738 0.049 0.000 0.898 53 Q HN 0.578 nan 8.270 nan 0.000 0.424 54 L N 0.061 121.328 121.223 0.074 0.000 2.042 54 L HA -0.166 4.175 4.340 0.001 0.000 0.210 54 L C 2.490 179.425 176.870 0.108 0.000 1.076 54 L CA 1.235 56.134 54.840 0.099 0.000 0.749 54 L CB -0.835 41.284 42.059 0.100 0.000 0.893 54 L HN 0.457 nan 8.230 nan 0.000 0.432 55 G N -0.477 108.380 108.800 0.094 0.000 2.421 55 G HA2 -0.238 3.722 3.960 0.001 0.000 0.216 55 G HA3 -0.238 3.722 3.960 0.001 0.000 0.216 55 G C 1.743 176.627 174.900 -0.028 0.000 1.171 55 G CA 0.479 45.662 45.100 0.138 0.000 0.775 55 G HN 0.263 nan 8.290 nan 0.000 0.543 56 R N -0.320 120.151 120.500 -0.049 0.000 2.081 56 R HA -0.032 4.309 4.340 0.001 0.000 0.235 56 R C 2.702 178.923 176.300 -0.130 0.000 1.131 56 R CA 1.170 57.198 56.100 -0.120 0.000 0.960 56 R CB -0.540 29.721 30.300 -0.067 0.000 0.856 56 R HN 0.306 nan 8.270 nan 0.000 0.436 57 V N 1.414 121.300 119.914 -0.047 0.000 2.261 57 V HA -0.259 3.862 4.120 0.001 0.000 0.246 57 V C 2.256 178.328 176.094 -0.037 0.000 1.047 57 V CA 1.843 64.118 62.300 -0.041 0.000 1.015 57 V CB -0.368 31.489 31.823 0.057 0.000 0.642 57 V HN 0.273 nan 8.190 nan 0.000 0.446 58 I N -0.118 120.540 120.570 0.146 0.000 2.226 58 I HA -0.265 3.905 4.170 0.001 0.000 0.245 58 I C 2.599 178.774 176.117 0.096 0.000 1.100 58 I CA 1.968 63.489 61.300 0.369 0.000 1.374 58 I CB -0.426 37.861 38.000 0.479 0.000 1.057 58 I HN 0.421 nan 8.210 nan 0.000 0.413 59 E N 1.092 121.102 120.200 -0.317 0.000 2.058 59 E HA -0.305 4.046 4.350 0.001 0.000 0.194 59 E C 2.164 178.592 176.600 -0.287 0.000 0.997 59 E CA 1.606 57.638 56.400 -0.613 0.000 0.801 59 E CB -0.030 29.012 29.700 -1.097 0.000 0.746 59 E HN 0.476 nan 8.360 nan 0.000 0.450 60 E N 0.034 120.071 120.200 -0.272 0.000 2.046 60 E HA -0.166 4.185 4.350 0.001 0.000 0.190 60 E C 2.208 178.610 176.600 -0.331 0.000 0.982 60 E CA 0.732 56.982 56.400 -0.250 0.000 0.800 60 E CB 0.126 29.690 29.700 -0.226 0.000 0.756 60 E HN 0.193 nan 8.360 nan 0.000 0.449 61 R N -0.788 119.397 120.500 -0.524 0.000 2.112 61 R HA 0.019 4.359 4.340 0.001 0.000 0.216 61 R C 0.441 176.109 176.300 -1.054 0.000 1.080 61 R CA 0.697 56.203 56.100 -0.989 0.000 0.996 61 R CB 0.291 29.536 30.300 -1.758 0.000 0.902 61 R HN 0.246 nan 8.270 nan 0.000 0.449 62 W N 1.760 123.043 121.300 -0.028 0.000 2.104 62 W HA 0.299 4.960 4.660 0.001 0.000 0.291 62 W C -2.294 174.204 176.519 -0.036 0.000 0.936 62 W CA -2.175 55.120 57.345 -0.084 0.000 1.856 62 W CB 0.669 30.117 29.460 -0.020 0.000 2.036 62 W HN -0.034 nan 8.180 nan 0.000 0.393 63 P HA -0.189 nan 4.420 nan 0.000 0.218 63 P C 1.390 178.787 177.300 0.162 0.000 1.148 63 P CA 1.808 64.977 63.100 0.113 0.000 0.822 63 P CB 0.497 32.215 31.700 0.030 0.000 0.784 64 K N -1.189 119.245 120.400 0.057 0.000 2.057 64 K HA -0.144 4.176 4.320 0.001 0.000 0.207 64 K C 2.329 179.056 176.600 0.210 0.000 1.049 64 K CA 1.338 57.665 56.287 0.067 0.000 0.931 64 K CB -0.495 31.974 32.500 -0.051 0.000 0.714 64 K HN 0.151 nan 8.250 nan 0.000 0.440 65 Y N -0.594 119.833 120.300 0.211 0.000 2.263 65 Y HA -0.184 4.366 4.550 0.001 0.000 0.292 65 Y C 2.233 178.253 175.900 0.201 0.000 1.130 65 Y CA 0.277 58.483 58.100 0.176 0.000 1.179 65 Y CB -1.008 37.550 38.460 0.163 0.000 0.998 65 Y HN 0.101 nan 8.280 nan 0.000 0.532 66 Y N 1.145 121.619 120.300 0.289 0.000 2.181 66 Y HA -0.242 4.308 4.550 0.001 0.000 0.288 66 Y C 2.541 178.546 175.900 0.175 0.000 1.146 66 Y CA 1.989 60.209 58.100 0.200 0.000 1.164 66 Y CB -0.339 38.220 38.460 0.165 0.000 0.982 66 Y HN 0.258 nan 8.280 nan 0.000 0.515 67 E N 0.052 120.396 120.200 0.240 0.000 2.085 67 E HA -0.325 4.026 4.350 0.001 0.000 0.194 67 E C 2.196 178.884 176.600 0.147 0.000 0.994 67 E CA 1.650 58.176 56.400 0.210 0.000 0.801 67 E CB -0.248 29.594 29.700 0.236 0.000 0.743 67 E HN 0.689 nan 8.360 nan 0.000 0.453 68 E N 0.167 120.443 120.200 0.125 0.000 2.077 68 E HA -0.186 4.165 4.350 0.001 0.000 0.193 68 E C 2.166 178.728 176.600 -0.063 0.000 0.989 68 E CA 1.158 57.589 56.400 0.052 0.000 0.800 68 E CB -0.101 29.676 29.700 0.128 0.000 0.746 68 E HN 0.349 nan 8.360 nan 0.000 0.452 69 I N 0.616 121.143 120.570 -0.071 0.000 2.226 69 I HA -0.286 3.884 4.170 0.001 0.000 0.245 69 I C 2.632 178.606 176.117 -0.238 0.000 1.100 69 I CA 1.127 62.328 61.300 -0.165 0.000 1.374 69 I CB -0.177 37.727 38.000 -0.161 0.000 1.057 69 I HN 0.086 nan 8.210 nan 0.000 0.413 70 R N 0.370 120.715 120.500 -0.260 0.000 2.096 70 R HA -0.115 4.226 4.340 0.001 0.000 0.235 70 R C 2.403 178.605 176.300 -0.162 0.000 1.127 70 R CA 1.395 57.412 56.100 -0.138 0.000 0.968 70 R CB -0.707 29.610 30.300 0.028 0.000 0.861 70 R HN 0.464 nan 8.270 nan 0.000 0.440 71 G N 1.345 109.875 108.800 -0.450 0.000 2.421 71 G HA2 -0.231 3.730 3.960 0.001 0.000 0.216 71 G HA3 -0.231 3.730 3.960 0.001 0.000 0.216 71 G C 1.456 176.071 174.900 -0.475 0.000 1.171 71 G CA 0.603 45.119 45.100 -0.973 0.000 0.775 71 G HN 0.157 nan 8.290 nan 0.000 0.543 72 I N 1.483 121.845 120.570 -0.345 0.000 2.208 72 I HA -0.221 3.950 4.170 0.001 0.000 0.245 72 I C 3.317 179.266 176.117 -0.279 0.000 1.097 72 I CA 1.035 62.130 61.300 -0.341 0.000 1.363 72 I CB -0.270 37.501 38.000 -0.381 0.000 1.051 72 I HN 0.252 nan 8.210 nan 0.000 0.413 73 A N 0.709 123.402 122.820 -0.211 0.000 1.883 73 A HA -0.282 4.038 4.320 0.001 0.000 0.217 73 A C 2.412 179.935 177.584 -0.101 0.000 1.186 73 A CA 2.112 54.067 52.037 -0.136 0.000 0.624 73 A CB -0.563 18.381 19.000 -0.094 0.000 0.822 73 A HN 0.379 nan 8.150 nan 0.000 0.444 74 K N -0.810 119.549 120.400 -0.068 0.000 2.025 74 K HA -0.079 4.241 4.320 0.001 0.000 0.207 74 K C 2.080 178.626 176.600 -0.090 0.000 1.049 74 K CA 1.327 57.642 56.287 0.047 0.000 0.933 74 K CB -0.544 32.127 32.500 0.285 0.000 0.714 74 K HN 0.376 nan 8.250 nan 0.000 0.438 75 G N 0.319 108.885 108.800 -0.390 0.000 2.421 75 G HA2 -0.238 3.722 3.960 0.001 0.000 0.216 75 G HA3 -0.238 3.722 3.960 0.001 0.000 0.216 75 G C 1.420 176.078 174.900 -0.404 0.000 1.171 75 G CA 0.885 45.502 45.100 -0.806 0.000 0.775 75 G HN 0.432 nan 8.290 nan 0.000 0.543 76 A N -0.283 122.373 122.820 -0.273 0.000 2.251 76 A HA 0.365 4.686 4.320 0.001 0.000 0.209 76 A C 0.905 178.421 177.584 -0.113 0.000 1.187 76 A CA 0.946 52.876 52.037 -0.178 0.000 0.823 76 A CB -0.246 18.654 19.000 -0.166 0.000 0.846 76 A HN 0.473 nan 8.150 nan 0.000 0.486 77 E N -0.599 119.544 120.200 -0.096 0.000 2.320 77 E HA -0.181 4.170 4.350 0.001 0.000 0.234 77 E C -0.326 176.252 176.600 -0.036 0.000 1.183 77 E CA 0.359 56.733 56.400 -0.043 0.000 0.713 77 E CB -0.820 28.863 29.700 -0.029 0.000 1.226 77 E HN 0.474 nan 8.360 nan 0.000 0.382 78 R N 0.373 120.844 120.500 -0.047 0.000 2.919 78 R HA 0.358 4.699 4.340 0.001 0.000 0.260 78 R C -0.230 176.053 176.300 -0.029 0.000 1.067 78 R CA -0.884 55.193 56.100 -0.039 0.000 1.003 78 R CB 0.798 31.066 30.300 -0.055 0.000 1.192 78 R HN -0.023 nan 8.270 nan 0.000 0.488 79 D N 0.525 120.911 120.400 -0.022 0.000 2.345 79 D HA 0.025 4.665 4.640 0.001 0.000 0.247 79 D C 1.478 177.759 176.300 -0.031 0.000 1.108 79 D CA -0.121 53.870 54.000 -0.014 0.000 0.894 79 D CB 1.276 42.073 40.800 -0.006 0.000 1.203 79 D HN 0.080 nan 8.370 nan 0.000 0.430 80 V N 2.332 122.232 119.914 -0.023 0.000 2.324 80 V HA -0.319 3.801 4.120 0.001 0.000 0.250 80 V C 2.515 178.590 176.094 -0.032 0.000 1.060 80 V CA 2.435 64.707 62.300 -0.047 0.000 1.042 80 V CB -0.821 30.982 31.823 -0.034 0.000 0.650 80 V HN 0.698 nan 8.190 nan 0.000 0.450 81 S N 0.097 115.791 115.700 -0.010 0.000 2.387 81 S HA -0.306 4.165 4.470 0.001 0.000 0.230 81 S C 1.784 176.337 174.600 -0.079 0.000 1.035 81 S CA 1.954 60.136 58.200 -0.031 0.000 1.014 81 S CB -0.567 62.617 63.200 -0.027 0.000 0.836 81 S HN 0.754 nan 8.310 nan 0.000 0.466 82 E N 0.591 120.752 120.200 -0.064 0.000 2.106 82 E HA -0.027 4.324 4.350 0.001 0.000 0.192 82 E C 1.948 178.505 176.600 -0.072 0.000 0.984 82 E CA 1.095 57.454 56.400 -0.068 0.000 0.806 82 E CB -0.164 29.511 29.700 -0.042 0.000 0.750 82 E HN 0.490 nan 8.360 nan 0.000 0.458 83 I N 0.658 121.182 120.570 -0.077 0.000 2.353 83 I HA -0.162 4.009 4.170 0.001 0.000 0.248 83 I C 2.382 178.459 176.117 -0.067 0.000 1.119 83 I CA 0.796 62.044 61.300 -0.086 0.000 1.417 83 I CB -1.086 36.841 38.000 -0.122 0.000 1.078 83 I HN -0.011 nan 8.210 nan 0.000 0.421 84 V N 0.998 120.879 119.914 -0.054 0.000 2.287 84 V HA -0.335 3.785 4.120 0.001 0.000 0.248 84 V C 2.685 178.736 176.094 -0.073 0.000 1.053 84 V CA 2.119 64.405 62.300 -0.023 0.000 1.027 84 V CB -0.629 31.207 31.823 0.021 0.000 0.646 84 V HN 0.425 nan 8.190 nan 0.000 0.447 85 M N -0.539 118.968 119.600 -0.155 0.000 2.082 85 M HA -0.240 4.240 4.480 0.001 0.000 0.258 85 M C 2.156 178.425 176.300 -0.051 0.000 1.069 85 M CA 2.136 57.300 55.300 -0.227 0.000 1.102 85 M CB -0.266 32.154 32.600 -0.299 0.000 1.336 85 M HN 0.280 nan 8.290 nan 0.000 0.404 86 L N 0.094 121.300 121.223 -0.030 0.000 2.079 86 L HA -0.248 4.093 4.340 0.001 0.000 0.210 86 L C 1.917 178.764 176.870 -0.038 0.000 1.081 86 L CA 1.185 56.025 54.840 -0.000 0.000 0.752 86 L CB -0.890 41.165 42.059 -0.006 0.000 0.896 86 L HN 0.465 nan 8.230 nan 0.000 0.433 87 N N -0.625 118.048 118.700 -0.044 0.000 2.461 87 N HA -0.037 4.704 4.740 0.001 0.000 0.188 87 N C 0.801 176.272 175.510 -0.066 0.000 1.134 87 N CA 1.242 54.257 53.050 -0.058 0.000 0.878 87 N CB 0.351 38.827 38.487 -0.019 0.000 0.972 87 N HN 0.407 nan 8.380 nan 0.000 0.456 88 T N -2.849 111.693 114.554 -0.021 0.000 3.442 88 T HA 0.244 4.595 4.350 0.001 0.000 0.295 88 T C 1.158 175.934 174.700 0.128 0.000 1.007 88 T CA -0.597 61.533 62.100 0.050 0.000 0.962 88 T CB 0.683 69.609 68.868 0.096 0.000 1.187 88 T HN -0.030 nan 8.240 nan 0.000 0.490 89 R N 1.917 122.454 120.500 0.061 0.000 2.103 89 R HA -0.170 4.171 4.340 0.001 0.000 0.242 89 R C 2.303 178.720 176.300 0.196 0.000 1.142 89 R CA 2.468 58.663 56.100 0.158 0.000 0.960 89 R CB -0.931 29.422 30.300 0.088 0.000 0.858 89 R HN 0.612 nan 8.270 nan 0.000 0.439 90 T N -1.904 112.750 114.554 0.166 0.000 2.833 90 T HA -0.090 4.261 4.350 0.001 0.000 0.269 90 T C 1.392 176.268 174.700 0.293 0.000 1.054 90 T CA 1.463 63.715 62.100 0.253 0.000 1.135 90 T CB -0.073 68.975 68.868 0.300 0.000 0.869 90 T HN 0.320 nan 8.240 nan 0.000 0.466 91 E N 0.426 120.782 120.200 0.260 0.000 2.075 91 E HA 0.235 4.586 4.350 0.001 0.000 0.190 91 E C 1.585 178.364 176.600 0.299 0.000 0.969 91 E CA 0.394 56.947 56.400 0.254 0.000 0.815 91 E CB -0.591 29.231 29.700 0.204 0.000 0.776 91 E HN 0.479 nan 8.360 nan 0.000 0.457 92 F N 0.951 120.985 119.950 0.139 0.000 2.186 92 F HA 0.067 4.595 4.527 0.001 0.000 0.299 92 F C 1.563 177.453 175.800 0.150 0.000 1.090 92 F CA 1.179 59.255 58.000 0.127 0.000 1.307 92 F CB -0.066 38.993 39.000 0.098 0.000 1.019 92 F HN -0.007 nan 8.300 nan 0.000 0.489 93 A N -0.962 121.918 122.820 0.099 0.000 2.577 93 A HA 0.108 4.429 4.320 0.001 0.000 0.280 93 A C -0.214 177.428 177.584 0.096 0.000 1.331 93 A CA -0.469 51.573 52.037 0.008 0.000 0.935 93 A CB -1.727 17.329 19.000 0.093 0.000 1.082 93 A HN 0.389 nan 8.150 nan 0.000 0.525 94 Y N 0.653 120.977 120.300 0.039 0.000 2.717 94 Y HA 0.283 4.833 4.550 0.001 0.000 0.330 94 Y C 1.397 177.320 175.900 0.038 0.000 1.217 94 Y CA 1.319 59.460 58.100 0.068 0.000 1.506 94 Y CB 0.316 38.825 38.460 0.082 0.000 1.268 94 Y HN 0.628 nan 8.280 nan 0.000 0.561 95 G N 4.700 113.116 108.800 -0.640 0.000 2.179 95 G HA2 -0.276 3.685 3.960 0.001 0.000 0.260 95 G HA3 -0.276 3.685 3.960 0.001 0.000 0.260 95 G C -0.252 174.531 174.900 -0.194 0.000 0.977 95 G CA 0.191 44.998 45.100 -0.488 0.000 0.641 95 G HN 0.686 nan 8.290 nan 0.000 0.533 96 L N 0.936 122.092 121.223 -0.111 0.000 2.270 96 L HA 0.352 4.693 4.340 0.001 0.000 0.286 96 L C 1.700 178.560 176.870 -0.018 0.000 1.059 96 L CA -0.282 54.531 54.840 -0.045 0.000 0.839 96 L CB 1.235 43.285 42.059 -0.016 0.000 1.221 96 L HN 0.193 nan 8.230 nan 0.000 0.431 97 K N 2.797 123.174 120.400 -0.039 0.000 2.152 97 K HA -0.195 4.126 4.320 0.001 0.000 0.206 97 K C 1.861 178.484 176.600 0.038 0.000 1.048 97 K CA 1.541 57.803 56.287 -0.042 0.000 0.933 97 K CB 0.179 32.642 32.500 -0.061 0.000 0.721 97 K HN 0.766 nan 8.250 nan 0.000 0.447 98 A N 0.700 123.571 122.820 0.084 0.000 2.019 98 A HA -0.038 4.282 4.320 0.001 0.000 0.219 98 A C 2.037 179.824 177.584 0.339 0.000 1.164 98 A CA 1.575 53.725 52.037 0.189 0.000 0.644 98 A CB -0.440 18.650 19.000 0.151 0.000 0.805 98 A HN 0.431 nan 8.150 nan 0.000 0.449 99 A N -0.570 122.426 122.820 0.293 0.000 2.278 99 A HA 0.221 4.542 4.320 0.001 0.000 0.212 99 A C 0.991 178.868 177.584 0.488 0.000 1.213 99 A CA -0.363 51.944 52.037 0.450 0.000 0.840 99 A CB -0.186 18.998 19.000 0.307 0.000 0.866 99 A HN 0.493 nan 8.150 nan 0.000 0.489 100 R N 1.747 122.453 120.500 0.343 0.000 2.438 100 R HA 0.278 4.618 4.340 0.001 0.000 0.287 100 R C -0.556 175.950 176.300 0.343 0.000 1.077 100 R CA -0.171 56.104 56.100 0.292 0.000 1.034 100 R CB 0.658 31.033 30.300 0.126 0.000 0.993 100 R HN 0.544 nan 8.270 nan 0.000 0.459 101 D N 1.105 121.663 120.400 0.263 0.000 2.487 101 D HA 0.500 5.140 4.640 0.001 0.000 0.262 101 D C 0.129 176.475 176.300 0.076 0.000 1.130 101 D CA -0.683 53.387 54.000 0.117 0.000 1.038 101 D CB 1.306 42.055 40.800 -0.085 0.000 1.142 101 D HN 0.522 nan 8.370 nan 0.000 0.575 102 G N -2.167 106.579 108.800 -0.090 0.000 2.680 102 G HA2 0.717 4.677 3.960 0.001 0.000 0.290 102 G HA3 0.717 4.677 3.960 0.001 0.000 0.290 102 G C -1.733 173.134 174.900 -0.055 0.000 1.355 102 G CA -0.572 44.507 45.100 -0.034 0.000 0.903 102 G HN 0.776 nan 8.290 nan 0.000 0.474 103 A N -0.599 122.231 122.820 0.017 0.000 2.599 103 A HA 0.807 5.127 4.320 0.001 0.000 0.294 103 A C -0.790 176.837 177.584 0.073 0.000 1.055 103 A CA -0.510 51.568 52.037 0.068 0.000 0.683 103 A CB 1.398 20.503 19.000 0.176 0.000 1.278 103 A HN 1.041 nan 8.150 nan 0.000 0.412 104 T N 1.757 116.382 114.554 0.118 0.000 2.841 104 T HA 0.750 5.100 4.350 0.001 0.000 0.285 104 T C -0.593 174.289 174.700 0.304 0.000 0.991 104 T CA -0.267 61.941 62.100 0.179 0.000 0.966 104 T CB 1.617 70.603 68.868 0.197 0.000 0.962 104 T HN 0.727 nan 8.240 nan 0.000 0.438 105 T N 2.159 116.888 114.554 0.290 0.000 2.912 105 T HA 0.829 5.180 4.350 0.001 0.000 0.299 105 T C -0.969 173.972 174.700 0.403 0.000 1.052 105 T CA -0.682 61.630 62.100 0.353 0.000 0.996 105 T CB 1.797 70.845 68.868 0.300 0.000 1.070 105 T HN 0.858 nan 8.240 nan 0.000 0.465 106 A N 2.081 125.219 122.820 0.529 0.000 2.572 106 A HA 0.805 5.125 4.320 0.001 0.000 0.295 106 A C -2.241 175.672 177.584 0.549 0.000 1.072 106 A CA -0.725 51.587 52.037 0.458 0.000 0.691 106 A CB 1.564 20.767 19.000 0.337 0.000 1.291 106 A HN 0.814 nan 8.150 nan 0.000 0.404 107 Y N 0.259 120.743 120.300 0.306 0.000 2.406 107 Y HA 0.579 5.130 4.550 0.001 0.000 0.340 107 Y C -0.911 175.109 175.900 0.200 0.000 0.975 107 Y CA -0.895 57.360 58.100 0.259 0.000 1.056 107 Y CB 1.985 40.557 38.460 0.186 0.000 1.210 107 Y HN 1.013 nan 8.280 nan 0.000 0.448 108 C N 7.174 126.387 119.300 -0.145 0.000 2.383 108 C HA 0.457 4.917 4.460 0.001 0.000 0.330 108 C C -0.902 173.979 174.990 -0.181 0.000 1.168 108 C CA -0.568 58.448 59.018 -0.003 0.000 1.374 108 C CB -0.034 27.785 27.740 0.131 0.000 2.014 108 C HN 0.907 nan 8.230 nan 0.000 0.439 109 Q N 4.128 123.934 119.800 0.010 0.000 2.304 109 Q HA 0.723 5.063 4.340 0.001 0.000 0.260 109 Q C -1.251 174.757 176.000 0.012 0.000 0.965 109 Q CA 0.684 56.500 55.803 0.021 0.000 0.898 109 Q CB 0.549 29.377 28.738 0.149 0.000 1.196 109 Q HN 0.793 nan 8.270 nan 0.000 0.402 110 L N 6.004 127.218 121.223 -0.015 0.000 2.393 110 L HA 0.493 4.833 4.340 0.001 0.000 0.260 110 L C -1.731 175.133 176.870 -0.010 0.000 1.002 110 L CA -2.006 52.822 54.840 -0.019 0.000 0.818 110 L CB 2.534 44.570 42.059 -0.039 0.000 1.369 110 L HN 0.603 nan 8.230 nan 0.000 0.412 111 P HA -0.093 nan 4.420 nan 0.000 0.223 111 P C 0.169 177.469 177.300 -0.000 0.000 1.151 111 P CA 1.103 64.201 63.100 -0.005 0.000 0.787 111 P CB 0.007 31.699 31.700 -0.013 0.000 0.788 112 N N -0.455 118.240 118.700 -0.008 0.000 2.275 112 N HA 0.339 5.080 4.740 0.001 0.000 0.236 112 N C 0.308 175.823 175.510 0.009 0.000 1.154 112 N CA -0.262 52.788 53.050 0.001 0.000 0.866 112 N CB 0.044 38.526 38.487 -0.007 0.000 1.093 112 N HN 0.099 nan 8.380 nan 0.000 0.515 113 G N -0.783 108.023 108.800 0.011 0.000 3.014 113 G HA2 0.383 4.344 3.960 0.001 0.000 0.683 113 G HA3 0.383 4.344 3.960 0.001 0.000 0.683 113 G C -0.603 174.291 174.900 -0.009 0.000 1.271 113 G CA -0.658 44.458 45.100 0.027 0.000 0.843 113 G HN 0.524 nan 8.290 nan 0.000 0.612 114 A N 1.737 124.552 122.820 -0.009 0.000 2.425 114 A HA 0.743 5.064 4.320 0.001 0.000 0.242 114 A C 0.561 178.075 177.584 -0.118 0.000 1.077 114 A CA 0.285 52.236 52.037 -0.143 0.000 0.781 114 A CB 0.382 19.209 19.000 -0.287 0.000 1.020 114 A HN 1.393 nan 8.150 nan 0.000 0.494 115 L N 0.899 121.897 121.223 -0.375 0.000 2.354 115 L HA 0.642 4.982 4.340 0.001 0.000 0.269 115 L C -0.045 176.543 176.870 -0.470 0.000 1.005 115 L CA -0.374 54.141 54.840 -0.542 0.000 0.819 115 L CB 1.983 43.358 42.059 -1.140 0.000 1.311 115 L HN 0.917 nan 8.230 nan 0.000 0.423 116 Q N 0.955 120.694 119.800 -0.102 0.000 2.377 116 Q HA 0.767 5.107 4.340 0.001 0.000 0.279 116 Q C -1.306 174.965 176.000 0.453 0.000 1.049 116 Q CA -0.567 55.443 55.803 0.345 0.000 0.825 116 Q CB 3.137 32.218 28.738 0.572 0.000 1.401 116 Q HN 0.813 nan 8.270 nan 0.000 0.404 117 G N 1.373 110.438 108.800 0.442 0.000 2.495 117 G HA2 0.462 4.423 3.960 0.001 0.000 0.294 117 G HA3 0.462 4.423 3.960 0.001 0.000 0.294 117 G C -2.138 172.541 174.900 -0.368 0.000 1.397 117 G CA -0.437 44.602 45.100 -0.102 0.000 0.790 117 G HN 0.696 nan 8.290 nan 0.000 0.486 118 Q N -0.699 118.636 119.800 -0.776 0.000 2.482 118 Q HA 0.583 4.924 4.340 0.001 0.000 0.286 118 Q C -1.744 173.803 176.000 -0.755 0.000 1.007 118 Q CA -1.098 54.301 55.803 -0.673 0.000 0.801 118 Q CB 1.645 30.296 28.738 -0.145 0.000 1.455 118 Q HN 0.372 nan 8.270 nan 0.000 0.398 119 N N 0.608 119.082 118.700 -0.375 0.000 2.473 119 N HA 0.450 5.191 4.740 0.001 0.000 0.291 119 N C -1.885 173.524 175.510 -0.168 0.000 1.083 119 N CA -0.165 52.737 53.050 -0.246 0.000 0.951 119 N CB 0.980 39.460 38.487 -0.010 0.000 1.164 119 N HN 0.642 nan 8.380 nan 0.000 0.480 120 W N 1.887 122.864 121.300 -0.539 0.000 2.600 120 W HA 0.375 5.035 4.660 0.001 0.000 0.325 120 W C -1.373 175.051 176.519 -0.158 0.000 1.034 120 W CA -0.544 56.579 57.345 -0.369 0.000 1.226 120 W CB 0.958 30.073 29.460 -0.574 0.000 1.379 120 W HN 0.350 nan 8.180 nan 0.000 0.466 121 D N 6.214 126.201 120.400 -0.688 0.000 2.375 121 D HA 0.523 5.164 4.640 0.001 0.000 0.247 121 D C -1.071 174.827 176.300 -0.670 0.000 1.061 121 D CA -0.029 53.663 54.000 -0.514 0.000 0.834 121 D CB 2.008 42.654 40.800 -0.258 0.000 1.247 121 D HN 0.194 nan 8.370 nan 0.000 0.489 122 F N 0.363 119.897 119.950 -0.694 0.000 3.250 122 F HA 0.381 4.908 4.527 0.001 0.000 0.326 122 F C -1.427 174.159 175.800 -0.357 0.000 1.154 122 F CA -1.534 56.104 58.000 -0.604 0.000 0.870 122 F CB 0.501 39.052 39.000 -0.748 0.000 1.476 122 F HN 0.103 nan 8.300 nan 0.000 0.491 123 F N 2.279 121.793 119.950 -0.726 0.000 2.578 123 F HA 0.140 4.667 4.527 0.001 0.000 0.381 123 F C 1.662 177.295 175.800 -0.278 0.000 1.069 123 F CA 0.785 58.501 58.000 -0.473 0.000 1.231 123 F CB 0.297 38.990 39.000 -0.510 0.000 1.086 123 F HN 0.328 nan 8.300 nan 0.000 0.564 124 S N 2.437 118.120 115.700 -0.028 0.000 2.387 124 S HA -0.288 4.182 4.470 0.001 0.000 0.230 124 S C 2.255 176.828 174.600 -0.045 0.000 1.035 124 S CA 1.350 59.529 58.200 -0.036 0.000 1.014 124 S CB -0.355 62.800 63.200 -0.075 0.000 0.836 124 S HN 0.783 nan 8.310 nan 0.000 0.466 125 A N 1.151 123.926 122.820 -0.075 0.000 2.070 125 A HA -0.099 4.221 4.320 0.001 0.000 0.220 125 A C 2.263 179.731 177.584 -0.194 0.000 1.159 125 A CA 1.854 53.827 52.037 -0.107 0.000 0.656 125 A CB -0.923 18.048 19.000 -0.049 0.000 0.800 125 A HN 0.644 nan 8.150 nan 0.000 0.453 126 T N -3.203 111.201 114.554 -0.249 0.000 3.081 126 T HA 0.095 4.445 4.350 0.001 0.000 0.250 126 T C 1.584 176.311 174.700 0.045 0.000 1.100 126 T CA 0.925 62.914 62.100 -0.186 0.000 1.038 126 T CB -0.088 68.698 68.868 -0.138 0.000 0.962 126 T HN 0.488 nan 8.240 nan 0.000 0.516 127 K N 2.063 122.503 120.400 0.067 0.000 2.103 127 K HA -0.190 4.130 4.320 0.001 0.000 0.207 127 K C 2.235 178.886 176.600 0.085 0.000 1.048 127 K CA 1.871 58.234 56.287 0.126 0.000 0.930 127 K CB -0.189 32.373 32.500 0.104 0.000 0.716 127 K HN 0.746 nan 8.250 nan 0.000 0.444 128 E N -0.526 119.697 120.200 0.039 0.000 2.472 128 E HA -0.130 4.221 4.350 0.001 0.000 0.200 128 E C 0.652 177.262 176.600 0.016 0.000 1.046 128 E CA 0.775 57.188 56.400 0.022 0.000 0.871 128 E CB -0.002 29.703 29.700 0.008 0.000 0.806 128 E HN 0.273 nan 8.360 nan 0.000 0.533 129 N N 0.535 119.251 118.700 0.028 0.000 2.236 129 N HA 0.150 4.891 4.740 0.001 0.000 0.196 129 N C -0.083 175.441 175.510 0.024 0.000 1.114 129 N CA 0.079 53.145 53.050 0.026 0.000 0.859 129 N CB 0.436 38.942 38.487 0.031 0.000 0.982 129 N HN 0.194 nan 8.380 nan 0.000 0.493 130 L N 1.945 123.186 121.223 0.031 0.000 2.416 130 L HA 0.320 4.661 4.340 0.001 0.000 0.272 130 L C 0.561 177.381 176.870 -0.084 0.000 1.161 130 L CA -0.162 54.660 54.840 -0.030 0.000 0.845 130 L CB 0.400 42.451 42.059 -0.014 0.000 1.119 130 L HN 0.071 nan 8.230 nan 0.000 0.464 131 I N 0.773 121.252 120.570 -0.153 0.000 3.174 131 I HA 0.715 4.886 4.170 0.001 0.000 0.313 131 I C -0.866 175.086 176.117 -0.277 0.000 1.155 131 I CA -1.203 59.985 61.300 -0.186 0.000 0.977 131 I CB 2.360 40.255 38.000 -0.175 0.000 1.248 131 I HN 0.625 nan 8.210 nan 0.000 0.453 132 R N 3.060 123.399 120.500 -0.268 0.000 2.670 132 R HA 0.831 5.171 4.340 0.001 0.000 0.289 132 R C -2.072 174.063 176.300 -0.276 0.000 0.965 132 R CA -0.867 55.046 56.100 -0.313 0.000 0.899 132 R CB 1.950 32.105 30.300 -0.242 0.000 1.173 132 R HN 0.772 nan 8.270 nan 0.000 0.456 133 L N 1.880 122.826 121.223 -0.462 0.000 2.354 133 L HA 0.517 4.857 4.340 0.001 0.000 0.269 133 L C -0.534 176.283 176.870 -0.089 0.000 1.005 133 L CA -1.049 53.574 54.840 -0.361 0.000 0.819 133 L CB 2.720 44.358 42.059 -0.702 0.000 1.311 133 L HN 0.763 nan 8.230 nan 0.000 0.423 134 T N 3.508 118.111 114.554 0.082 0.000 2.786 134 T HA 0.584 4.935 4.350 0.001 0.000 0.283 134 T C -0.239 174.537 174.700 0.126 0.000 0.992 134 T CA -0.218 61.983 62.100 0.169 0.000 0.954 134 T CB 0.893 69.919 68.868 0.263 0.000 0.934 134 T HN 0.265 nan 8.240 nan 0.000 0.440 135 I N 3.870 124.553 120.570 0.187 0.000 2.355 135 I HA 0.410 4.580 4.170 0.001 0.000 0.288 135 I C 0.269 176.466 176.117 0.133 0.000 0.999 135 I CA -0.776 60.618 61.300 0.157 0.000 1.163 135 I CB 1.324 39.447 38.000 0.205 0.000 1.316 135 I HN 0.314 nan 8.210 nan 0.000 0.454 136 R N 6.310 126.869 120.500 0.099 0.000 2.255 136 R HA 0.504 4.845 4.340 0.001 0.000 0.326 136 R C -0.931 175.410 176.300 0.068 0.000 0.986 136 R CA -0.601 55.547 56.100 0.080 0.000 0.847 136 R CB 1.448 31.789 30.300 0.068 0.000 1.111 136 R HN 0.569 nan 8.270 nan 0.000 0.452 137 Q N 1.555 121.391 119.800 0.059 0.000 2.292 137 Q HA 0.395 4.735 4.340 0.001 0.000 0.270 137 Q C -0.875 175.146 176.000 0.036 0.000 1.024 137 Q CA -0.827 55.008 55.803 0.054 0.000 0.768 137 Q CB 2.532 31.309 28.738 0.065 0.000 1.250 137 Q HN 0.679 nan 8.270 nan 0.000 0.447 138 A N 1.457 124.296 122.820 0.032 0.000 2.548 138 A HA 0.400 4.721 4.320 0.001 0.000 0.247 138 A C 1.308 178.901 177.584 0.014 0.000 1.067 138 A CA 1.171 53.220 52.037 0.020 0.000 0.757 138 A CB -0.670 18.342 19.000 0.020 0.000 0.996 138 A HN 1.144 nan 8.150 nan 0.000 0.504 139 G N 1.186 109.989 108.800 0.004 0.000 2.176 139 G HA2 -0.192 3.769 3.960 0.001 0.000 0.253 139 G HA3 -0.192 3.769 3.960 0.001 0.000 0.253 139 G C 0.023 174.920 174.900 -0.005 0.000 0.979 139 G CA 0.424 45.523 45.100 -0.002 0.000 0.641 139 G HN 0.830 nan 8.290 nan 0.000 0.530 140 L N 0.609 121.831 121.223 -0.002 0.000 2.319 140 L HA 0.539 4.879 4.340 0.001 0.000 0.267 140 L C -2.138 174.714 176.870 -0.030 0.000 1.011 140 L CA -2.607 52.229 54.840 -0.008 0.000 0.818 140 L CB 1.992 44.060 42.059 0.015 0.000 1.316 140 L HN -0.185 nan 8.230 nan 0.000 0.432 141 P HA 0.019 nan 4.420 nan 0.000 0.266 141 P C -0.641 176.609 177.300 -0.083 0.000 1.195 141 P CA -0.005 63.028 63.100 -0.112 0.000 0.768 141 P CB 0.331 31.951 31.700 -0.134 0.000 0.838 142 T N 3.864 118.347 114.554 -0.119 0.000 2.901 142 T HA 0.301 4.652 4.350 0.001 0.000 0.301 142 T C 0.555 175.307 174.700 0.086 0.000 1.012 142 T CA 0.145 62.253 62.100 0.014 0.000 1.135 142 T CB -0.206 68.714 68.868 0.086 0.000 0.936 142 T HN 0.175 nan 8.240 nan 0.000 0.539 143 I N 3.342 124.032 120.570 0.200 0.000 2.412 143 I HA 0.420 4.590 4.170 0.001 0.000 0.296 143 I C 0.261 176.631 176.117 0.422 0.000 0.987 143 I CA -0.716 60.751 61.300 0.278 0.000 1.180 143 I CB 1.422 39.533 38.000 0.185 0.000 1.340 143 I HN 0.323 nan 8.210 nan 0.000 0.455 144 K N 6.956 127.650 120.400 0.489 0.000 2.502 144 K HA 0.585 4.905 4.320 0.001 0.000 0.254 144 K C -1.303 175.608 176.600 0.519 0.000 0.947 144 K CA -0.518 56.004 56.287 0.392 0.000 0.834 144 K CB 1.792 34.398 32.500 0.176 0.000 1.112 144 K HN 0.492 nan 8.250 nan 0.000 0.427 145 F N 0.713 120.729 119.950 0.109 0.000 2.662 145 F HA 0.599 5.127 4.527 0.001 0.000 0.312 145 F C -1.355 174.409 175.800 -0.060 0.000 1.113 145 F CA -1.517 56.514 58.000 0.052 0.000 0.951 145 F CB 0.785 39.806 39.000 0.035 0.000 1.344 145 F HN 0.067 nan 8.300 nan 0.000 0.462 146 I N 1.865 122.381 120.570 -0.091 0.000 2.359 146 I HA 0.582 4.752 4.170 0.001 0.000 0.294 146 I C 0.028 175.969 176.117 -0.294 0.000 0.987 146 I CA -0.199 60.883 61.300 -0.363 0.000 1.225 146 I CB 0.936 38.522 38.000 -0.690 0.000 1.366 146 I HN 0.868 nan 8.210 nan 0.000 0.466 147 T N 4.867 119.210 114.554 -0.352 0.000 2.864 147 T HA 0.377 4.727 4.350 0.001 0.000 0.299 147 T C -0.815 173.782 174.700 -0.172 0.000 1.166 147 T CA -0.643 61.340 62.100 -0.195 0.000 1.007 147 T CB 1.499 70.306 68.868 -0.103 0.000 1.219 147 T HN 0.565 nan 8.240 nan 0.000 0.506 148 E N 1.615 121.759 120.200 -0.093 0.000 2.316 148 E HA 0.521 4.871 4.350 0.001 0.000 0.275 148 E C 0.052 176.668 176.600 0.027 0.000 1.029 148 E CA -0.644 55.748 56.400 -0.012 0.000 0.871 148 E CB 0.920 30.642 29.700 0.037 0.000 1.022 148 E HN 0.729 nan 8.360 nan 0.000 0.418 149 A N 2.696 125.539 122.820 0.039 0.000 2.567 149 A HA 0.315 4.636 4.320 0.001 0.000 0.240 149 A C 1.366 179.015 177.584 0.108 0.000 1.053 149 A CA 0.811 52.911 52.037 0.104 0.000 0.755 149 A CB -0.524 18.511 19.000 0.058 0.000 0.978 149 A HN 0.909 nan 8.150 nan 0.000 0.507 150 G N 1.451 110.356 108.800 0.175 0.000 2.213 150 G HA2 -0.194 3.766 3.960 0.001 0.000 0.236 150 G HA3 -0.194 3.766 3.960 0.001 0.000 0.236 150 G C 0.122 174.995 174.900 -0.043 0.000 0.991 150 G CA 0.137 45.139 45.100 -0.162 0.000 0.629 150 G HN 0.842 nan 8.290 nan 0.000 0.517 151 I N 2.021 122.671 120.570 0.134 0.000 2.353 151 I HA 0.398 4.568 4.170 0.001 0.000 0.293 151 I C 1.857 178.126 176.117 0.254 0.000 0.992 151 I CA -0.630 60.750 61.300 0.132 0.000 1.268 151 I CB 1.349 39.415 38.000 0.110 0.000 1.387 151 I HN 0.249 nan 8.210 nan 0.000 0.478 152 I N 2.008 122.664 120.570 0.144 0.000 3.578 152 I HA 0.391 4.562 4.170 0.001 0.000 0.295 152 I C 0.681 176.768 176.117 -0.050 0.000 1.280 152 I CA 0.125 61.502 61.300 0.128 0.000 1.347 152 I CB 0.112 38.096 38.000 -0.027 0.000 1.051 152 I HN 0.522 nan 8.210 nan 0.000 0.460 153 G N 1.032 109.775 108.800 -0.094 0.000 2.739 153 G HA2 0.492 4.453 3.960 0.001 0.000 0.292 153 G HA3 0.492 4.453 3.960 0.001 0.000 0.292 153 G C -1.026 173.707 174.900 -0.278 0.000 1.444 153 G CA -0.518 44.339 45.100 -0.404 0.000 1.144 153 G HN 0.121 nan 8.290 nan 0.000 0.550 154 K N 0.907 121.133 120.400 -0.290 0.000 2.712 154 K HA 0.610 4.930 4.320 0.001 0.000 0.311 154 K C -0.921 175.598 176.600 -0.134 0.000 1.218 154 K CA -0.209 55.938 56.287 -0.234 0.000 0.987 154 K CB 0.942 33.401 32.500 -0.068 0.000 3.372 154 K HN 0.315 nan 8.250 nan 0.000 1.126 155 V N 1.412 121.370 119.914 0.073 0.000 2.444 155 V HA 0.731 4.852 4.120 0.001 0.000 0.294 155 V C -0.024 176.239 176.094 0.281 0.000 1.022 155 V CA 0.085 62.483 62.300 0.164 0.000 0.850 155 V CB 0.733 32.707 31.823 0.252 0.000 0.992 155 V HN 0.906 nan 8.190 nan 0.000 0.426 156 G N 4.168 113.161 108.800 0.322 0.000 2.335 156 G HA2 0.598 4.559 3.960 0.001 0.000 0.291 156 G HA3 0.598 4.559 3.960 0.001 0.000 0.291 156 G C -1.659 173.497 174.900 0.426 0.000 1.261 156 G CA -0.127 45.243 45.100 0.450 0.000 0.871 156 G HN 0.928 nan 8.290 nan 0.000 0.491 157 F N -0.090 120.002 119.950 0.236 0.000 2.692 157 F HA 0.905 5.433 4.527 0.001 0.000 0.320 157 F C -0.911 175.061 175.800 0.287 0.000 1.123 157 F CA -2.284 55.797 58.000 0.136 0.000 0.961 157 F CB 0.995 40.036 39.000 0.068 0.000 1.383 157 F HN 0.877 nan 8.300 nan 0.000 0.483 158 N N -1.368 117.345 118.700 0.022 0.000 2.629 158 N HA 0.374 5.115 4.740 0.001 0.000 0.279 158 N C -0.103 174.890 175.510 -0.863 0.000 1.344 158 N CA -0.173 52.732 53.050 -0.243 0.000 0.789 158 N CB 1.117 39.523 38.487 -0.135 0.000 1.508 158 N HN 0.639 nan 8.380 nan 0.000 0.516 159 S N -1.950 113.038 115.700 -1.188 0.000 2.515 159 S HA 0.055 4.526 4.470 0.001 0.000 0.231 159 S C 1.424 175.654 174.600 -0.616 0.000 0.987 159 S CA 0.415 57.765 58.200 -1.417 0.000 0.936 159 S CB -0.662 61.905 63.200 -1.055 0.000 0.766 159 S HN 0.781 nan 8.310 nan 0.000 0.528 160 A N 0.864 123.450 122.820 -0.389 0.000 2.238 160 A HA 0.569 4.890 4.320 0.001 0.000 0.208 160 A C 1.773 179.285 177.584 -0.121 0.000 1.177 160 A CA 0.482 52.400 52.037 -0.199 0.000 0.804 160 A CB -1.004 17.917 19.000 -0.131 0.000 0.823 160 A HN 1.436 nan 8.150 nan 0.000 0.482 161 G N -1.661 107.056 108.800 -0.139 0.000 2.157 161 G HA2 -0.195 3.765 3.960 0.001 0.000 0.239 161 G HA3 -0.195 3.765 3.960 0.001 0.000 0.239 161 G C 0.149 175.116 174.900 0.112 0.000 0.982 161 G CA 0.060 45.182 45.100 0.037 0.000 0.650 161 G HN 0.758 nan 8.290 nan 0.000 0.527 162 V N 1.176 121.108 119.914 0.029 0.000 2.508 162 V HA 0.622 4.743 4.120 0.001 0.000 0.281 162 V C 0.775 176.892 176.094 0.039 0.000 1.041 162 V CA 0.374 62.695 62.300 0.035 0.000 1.016 162 V CB 1.165 32.985 31.823 -0.005 0.000 0.984 162 V HN 1.203 nan 8.190 nan 0.000 0.478 163 A N 5.329 128.131 122.820 -0.029 0.000 2.342 163 A HA 0.857 5.178 4.320 0.001 0.000 0.323 163 A C -0.866 176.554 177.584 -0.272 0.000 1.125 163 A CA -0.535 51.294 52.037 -0.346 0.000 0.785 163 A CB 1.693 20.145 19.000 -0.913 0.000 1.221 163 A HN 0.621 nan 8.150 nan 0.000 0.463 164 V N 2.694 122.483 119.914 -0.208 0.000 2.540 164 V HA 0.439 4.560 4.120 0.001 0.000 0.302 164 V C -0.362 175.778 176.094 0.078 0.000 1.035 164 V CA -0.663 61.594 62.300 -0.071 0.000 0.873 164 V CB 1.797 33.577 31.823 -0.072 0.000 0.992 164 V HN 1.018 nan 8.190 nan 0.000 0.428 165 N N 2.005 120.754 118.700 0.082 0.000 2.265 165 N HA 0.671 5.411 4.740 0.001 0.000 0.300 165 N C -1.794 173.812 175.510 0.159 0.000 1.148 165 N CA -0.649 52.505 53.050 0.174 0.000 0.772 165 N CB 2.461 41.088 38.487 0.232 0.000 1.434 165 N HN 0.738 nan 8.380 nan 0.000 0.481 166 Y N 0.930 121.273 120.300 0.071 0.000 2.406 166 Y HA 0.542 5.093 4.550 0.001 0.000 0.340 166 Y C -1.661 174.360 175.900 0.202 0.000 0.975 166 Y CA -0.749 57.393 58.100 0.069 0.000 1.056 166 Y CB 1.146 39.587 38.460 -0.032 0.000 1.210 166 Y HN 0.554 nan 8.280 nan 0.000 0.448 167 N N 3.612 122.074 118.700 -0.396 0.000 2.296 167 N HA 0.649 5.389 4.740 0.001 0.000 0.294 167 N C -1.194 173.975 175.510 -0.568 0.000 1.033 167 N CA -0.621 52.279 53.050 -0.249 0.000 0.839 167 N CB 2.051 40.555 38.487 0.028 0.000 1.395 167 N HN 0.774 nan 8.380 nan 0.000 0.479 168 A N 1.364 124.002 122.820 -0.303 0.000 2.498 168 A HA 0.443 4.763 4.320 0.001 0.000 0.239 168 A C -0.493 176.830 177.584 -0.434 0.000 1.068 168 A CA 0.329 52.211 52.037 -0.258 0.000 0.766 168 A CB -0.113 18.892 19.000 0.009 0.000 1.003 168 A HN 0.619 nan 8.150 nan 0.000 0.497 169 L N 1.731 122.625 121.223 -0.549 0.000 2.445 169 L HA 0.515 4.856 4.340 0.001 0.000 0.262 169 L C -0.683 175.852 176.870 -0.558 0.000 0.974 169 L CA -0.239 54.260 54.840 -0.567 0.000 0.822 169 L CB 2.018 43.874 42.059 -0.337 0.000 1.339 169 L HN 0.725 nan 8.230 nan 0.000 0.409 170 H N 5.370 124.429 119.070 -0.017 0.000 2.534 170 H HA 0.385 4.941 4.556 0.001 0.000 0.250 170 H C -0.709 174.625 175.328 0.011 0.000 1.256 170 H CA -0.265 55.788 56.048 0.007 0.000 1.000 170 H CB 0.084 29.852 29.762 0.011 0.000 1.801 170 H HN 0.320 nan 8.280 nan 0.000 0.569 171 L N 1.149 122.406 121.223 0.056 0.000 2.371 171 L HA 0.147 4.488 4.340 0.001 0.000 0.272 171 L C 1.068 178.025 176.870 0.144 0.000 1.124 171 L CA -0.164 54.707 54.840 0.051 0.000 0.816 171 L CB 1.167 43.199 42.059 -0.044 0.000 1.129 171 L HN 0.247 nan 8.230 nan 0.000 0.448 172 Q N 1.877 121.764 119.800 0.144 0.000 2.364 172 Q HA 0.464 4.805 4.340 0.001 0.000 0.267 172 Q C -0.187 175.950 176.000 0.229 0.000 0.999 172 Q CA 0.415 56.351 55.803 0.221 0.000 0.886 172 Q CB 0.971 29.805 28.738 0.160 0.000 1.243 172 Q HN 0.820 nan 8.270 nan 0.000 0.415 173 G N 2.067 111.049 108.800 0.302 0.000 2.521 173 G HA2 0.196 4.157 3.960 0.001 0.000 0.589 173 G HA3 0.196 4.157 3.960 0.001 0.000 0.589 173 G C -2.332 172.483 174.900 -0.141 0.000 1.501 173 G CA -0.728 44.423 45.100 0.085 0.000 0.887 173 G HN 0.623 nan 8.290 nan 0.000 0.654 174 L N 1.690 122.721 121.223 -0.320 0.000 2.438 174 L HA 0.901 5.242 4.340 0.001 0.000 0.270 174 L C -0.071 176.707 176.870 -0.152 0.000 0.972 174 L CA -0.865 53.742 54.840 -0.388 0.000 0.831 174 L CB 1.840 43.411 42.059 -0.815 0.000 1.273 174 L HN 0.729 nan 8.230 nan 0.000 0.405 175 R N 6.026 126.493 120.500 -0.056 0.000 2.407 175 R HA 0.470 4.811 4.340 0.001 0.000 0.298 175 R C -2.155 174.161 176.300 0.027 0.000 1.166 175 R CA -1.529 54.568 56.100 -0.004 0.000 1.006 175 R CB 1.521 31.835 30.300 0.024 0.000 1.145 175 R HN 0.424 nan 8.270 nan 0.000 0.538 176 P HA -0.091 nan 4.420 nan 0.000 0.225 176 P C 0.901 178.247 177.300 0.078 0.000 1.148 176 P CA 1.173 64.308 63.100 0.059 0.000 0.779 176 P CB 0.347 32.078 31.700 0.052 0.000 0.780 177 T N -4.808 109.781 114.554 0.058 0.000 3.100 177 T HA 0.210 4.561 4.350 0.001 0.000 0.253 177 T C 1.165 175.919 174.700 0.092 0.000 1.118 177 T CA 0.074 62.205 62.100 0.053 0.000 1.058 177 T CB -0.666 68.210 68.868 0.014 0.000 0.953 177 T HN -0.011 nan 8.240 nan 0.000 0.515 178 G N 1.164 110.032 108.800 0.113 0.000 2.588 178 G HA2 0.469 4.429 3.960 0.001 0.000 0.278 178 G HA3 0.469 4.429 3.960 0.001 0.000 0.278 178 G C -0.519 174.535 174.900 0.256 0.000 1.307 178 G CA -0.685 44.503 45.100 0.147 0.000 1.016 178 G HN 0.312 nan 8.290 nan 0.000 0.503 179 V N 2.266 122.307 119.914 0.212 0.000 2.470 179 V HA 0.157 4.278 4.120 0.001 0.000 0.276 179 V C -1.767 174.343 176.094 0.026 0.000 1.040 179 V CA -0.969 61.408 62.300 0.128 0.000 1.008 179 V CB 0.972 32.779 31.823 -0.026 0.000 0.990 179 V HN 0.461 nan 8.190 nan 0.000 0.477 180 P HA 0.077 nan 4.420 nan 0.000 0.268 180 P C 1.002 178.321 177.300 0.031 0.000 1.205 180 P CA 0.046 63.173 63.100 0.045 0.000 0.771 180 P CB 0.667 32.385 31.700 0.030 0.000 0.858 181 S N 2.081 117.893 115.700 0.188 0.000 2.383 181 S HA -0.268 4.202 4.470 0.001 0.000 0.229 181 S C 1.434 176.122 174.600 0.146 0.000 1.030 181 S CA 1.585 59.962 58.200 0.295 0.000 1.002 181 S CB -1.330 62.207 63.200 0.562 0.000 0.829 181 S HN 0.482 nan 8.310 nan 0.000 0.467 182 H N 0.924 119.929 119.070 -0.109 0.000 2.502 182 H HA 0.308 4.865 4.556 0.001 0.000 0.283 182 H C 1.899 177.061 175.328 -0.277 0.000 1.015 182 H CA 0.728 56.649 56.048 -0.211 0.000 1.298 182 H CB -0.209 29.429 29.762 -0.206 0.000 1.411 182 H HN 0.320 nan 8.280 nan 0.000 0.556 183 I N 0.280 120.728 120.570 -0.203 0.000 2.252 183 I HA -0.154 4.016 4.170 0.001 0.000 0.245 183 I C 2.441 178.314 176.117 -0.406 0.000 1.102 183 I CA 1.160 62.203 61.300 -0.429 0.000 1.385 183 I CB -1.259 36.366 38.000 -0.625 0.000 1.064 183 I HN 0.219 nan 8.210 nan 0.000 0.414 184 A N 0.980 123.623 122.820 -0.294 0.000 1.933 184 A HA -0.154 4.167 4.320 0.001 0.000 0.218 184 A C 2.406 179.868 177.584 -0.203 0.000 1.175 184 A CA 1.210 53.107 52.037 -0.233 0.000 0.628 184 A CB -0.777 18.100 19.000 -0.205 0.000 0.814 184 A HN 0.384 nan 8.150 nan 0.000 0.444 185 L N -1.230 119.854 121.223 -0.231 0.000 2.046 185 L HA -0.195 4.145 4.340 0.001 0.000 0.208 185 L C 2.770 179.452 176.870 -0.313 0.000 1.077 185 L CA 1.738 56.418 54.840 -0.267 0.000 0.747 185 L CB -0.415 41.407 42.059 -0.396 0.000 0.896 185 L HN 0.358 nan 8.230 nan 0.000 0.432 186 R N 0.848 121.111 120.500 -0.395 0.000 2.096 186 R HA -0.116 4.225 4.340 0.001 0.000 0.235 186 R C 2.052 178.193 176.300 -0.265 0.000 1.127 186 R CA 1.531 57.361 56.100 -0.450 0.000 0.968 186 R CB -0.634 29.240 30.300 -0.709 0.000 0.861 186 R HN 0.270 nan 8.270 nan 0.000 0.440 187 I N 0.283 120.739 120.570 -0.189 0.000 2.163 187 I HA -0.302 3.868 4.170 0.001 0.000 0.243 187 I C 2.290 178.377 176.117 -0.050 0.000 1.085 187 I CA 1.566 62.842 61.300 -0.041 0.000 1.347 187 I CB -0.481 37.491 38.000 -0.046 0.000 1.044 187 I HN 0.308 nan 8.210 nan 0.000 0.408 188 A N 0.725 123.494 122.820 -0.085 0.000 1.902 188 A HA -0.158 4.162 4.320 0.001 0.000 0.217 188 A C 2.257 179.798 177.584 -0.073 0.000 1.181 188 A CA 1.401 53.404 52.037 -0.056 0.000 0.623 188 A CB -0.882 18.076 19.000 -0.070 0.000 0.818 188 A HN 0.408 nan 8.150 nan 0.000 0.443 189 L N -0.735 120.410 121.223 -0.130 0.000 2.362 189 L HA -0.128 4.212 4.340 0.001 0.000 0.219 189 L C 1.981 178.798 176.870 -0.087 0.000 1.134 189 L CA 1.067 55.826 54.840 -0.134 0.000 0.807 189 L CB -0.287 41.610 42.059 -0.269 0.000 0.927 189 L HN 0.467 nan 8.230 nan 0.000 0.447 190 E N -1.100 119.065 120.200 -0.059 0.000 2.474 190 E HA 0.085 4.435 4.350 0.001 0.000 0.195 190 E C 0.369 176.963 176.600 -0.010 0.000 1.039 190 E CA -0.235 56.156 56.400 -0.016 0.000 0.881 190 E CB 0.491 30.214 29.700 0.039 0.000 0.970 190 E HN 0.286 nan 8.360 nan 0.000 0.486 191 S N 0.376 116.068 115.700 -0.013 0.000 2.610 191 S HA 0.062 4.533 4.470 0.001 0.000 0.273 191 S C 1.242 175.834 174.600 -0.013 0.000 1.274 191 S CA -0.338 57.862 58.200 -0.000 0.000 1.023 191 S CB 1.423 64.636 63.200 0.022 0.000 0.962 191 S HN 0.278 nan 8.310 nan 0.000 0.523 192 T N -1.781 112.768 114.554 -0.008 0.000 3.081 192 T HA 0.235 4.586 4.350 0.001 0.000 0.250 192 T C 0.486 175.182 174.700 -0.006 0.000 1.100 192 T CA 0.193 62.280 62.100 -0.022 0.000 1.038 192 T CB -0.290 68.562 68.868 -0.026 0.000 0.962 192 T HN 0.631 nan 8.240 nan 0.000 0.516 193 S N -0.483 115.230 115.700 0.021 0.000 2.565 193 S HA 0.527 4.997 4.470 0.001 0.000 0.269 193 S C -2.925 171.730 174.600 0.092 0.000 1.153 193 S CA -1.220 57.007 58.200 0.045 0.000 0.835 193 S CB 1.659 64.883 63.200 0.041 0.000 1.122 193 S HN -0.169 nan 8.310 nan 0.000 0.462 194 P HA -0.025 nan 4.420 nan 0.000 0.216 194 P C 1.437 178.950 177.300 0.355 0.000 1.150 194 P CA 1.408 64.668 63.100 0.268 0.000 0.837 194 P CB -0.047 31.785 31.700 0.218 0.000 0.786 195 S N -0.650 115.150 115.700 0.167 0.000 2.368 195 S HA -0.236 4.235 4.470 0.001 0.000 0.225 195 S C 2.059 176.715 174.600 0.094 0.000 1.030 195 S CA 1.246 59.485 58.200 0.066 0.000 0.999 195 S CB -0.807 62.408 63.200 0.026 0.000 0.844 195 S HN 0.295 nan 8.310 nan 0.000 0.459 196 Q N 0.591 120.444 119.800 0.089 0.000 2.119 196 Q HA -0.072 4.268 4.340 0.001 0.000 0.201 196 Q C 2.275 178.326 176.000 0.086 0.000 0.972 196 Q CA 1.189 57.033 55.803 0.069 0.000 0.847 196 Q CB -0.299 28.464 28.738 0.042 0.000 0.903 196 Q HN 0.556 nan 8.270 nan 0.000 0.433 197 A N 0.224 123.127 122.820 0.138 0.000 1.883 197 A HA -0.251 4.069 4.320 0.001 0.000 0.217 197 A C 1.891 179.584 177.584 0.182 0.000 1.186 197 A CA 1.610 53.744 52.037 0.161 0.000 0.624 197 A CB -1.211 17.916 19.000 0.212 0.000 0.822 197 A HN 0.676 nan 8.150 nan 0.000 0.444 198 Y N 1.248 121.598 120.300 0.083 0.000 2.097 198 Y HA -0.289 4.262 4.550 0.001 0.000 0.282 198 Y C 2.012 177.834 175.900 -0.129 0.000 1.152 198 Y CA 2.310 60.294 58.100 -0.194 0.000 1.136 198 Y CB -0.341 37.644 38.460 -0.792 0.000 0.975 198 Y HN 0.372 nan 8.280 nan 0.000 0.498 199 D N -0.070 120.327 120.400 -0.005 0.000 2.116 199 D HA -0.190 4.451 4.640 0.001 0.000 0.193 199 D C 2.263 178.495 176.300 -0.115 0.000 0.998 199 D CA 1.755 55.717 54.000 -0.063 0.000 0.836 199 D CB -0.357 40.462 40.800 0.030 0.000 0.951 199 D HN 0.421 nan 8.370 nan 0.000 0.449 200 R N -0.128 120.337 120.500 -0.058 0.000 2.115 200 R HA 0.057 4.398 4.340 0.001 0.000 0.226 200 R C 2.489 178.749 176.300 -0.068 0.000 1.100 200 R CA 0.417 56.494 56.100 -0.038 0.000 0.980 200 R CB -0.084 30.217 30.300 0.001 0.000 0.875 200 R HN 0.257 nan 8.270 nan 0.000 0.445 201 I N 0.409 120.904 120.570 -0.125 0.000 2.233 201 I HA -0.224 3.946 4.170 0.001 0.000 0.243 201 I C 2.408 178.394 176.117 -0.217 0.000 1.093 201 I CA 1.058 62.258 61.300 -0.168 0.000 1.380 201 I CB -0.291 37.598 38.000 -0.184 0.000 1.067 201 I HN 0.027 nan 8.210 nan 0.000 0.413 202 V N -1.530 118.177 119.914 -0.345 0.000 2.594 202 V HA -0.212 3.908 4.120 0.001 0.000 0.253 202 V C 1.969 177.963 176.094 -0.167 0.000 1.069 202 V CA 1.573 63.682 62.300 -0.318 0.000 1.082 202 V CB -0.965 30.553 31.823 -0.507 0.000 0.680 202 V HN 0.407 nan 8.190 nan 0.000 0.469 203 E N 0.128 120.252 120.200 -0.126 0.000 2.267 203 E HA -0.190 4.160 4.350 0.001 0.000 0.197 203 E C 2.241 178.831 176.600 -0.016 0.000 0.998 203 E CA 1.229 57.595 56.400 -0.056 0.000 0.830 203 E CB -0.137 29.543 29.700 -0.033 0.000 0.751 203 E HN 0.643 nan 8.360 nan 0.000 0.491 204 Q N -0.979 118.822 119.800 0.002 0.000 2.369 204 Q HA -0.027 4.313 4.340 0.001 0.000 0.206 204 Q C 1.442 177.467 176.000 0.040 0.000 0.963 204 Q CA 1.050 56.898 55.803 0.075 0.000 0.894 204 Q CB 0.519 29.348 28.738 0.151 0.000 0.965 204 Q HN 0.428 nan 8.270 nan 0.000 0.475 205 G N -0.142 108.654 108.800 -0.007 0.000 2.136 205 G HA2 -0.127 3.833 3.960 0.001 0.000 0.242 205 G HA3 -0.127 3.833 3.960 0.001 0.000 0.242 205 G C 0.370 175.270 174.900 -0.000 0.000 0.989 205 G CA 0.424 45.519 45.100 -0.009 0.000 0.682 205 G HN 0.790 nan 8.290 nan 0.000 0.522 206 G N -1.147 107.649 108.800 -0.007 0.000 2.312 206 G HA2 0.506 4.467 3.960 0.001 0.000 0.322 206 G HA3 0.506 4.467 3.960 0.001 0.000 0.322 206 G C -0.478 174.423 174.900 0.001 0.000 1.645 206 G CA -0.209 44.891 45.100 0.000 0.000 0.919 206 G HN 0.690 nan 8.290 nan 0.000 0.699 207 M N 1.510 121.097 119.600 -0.020 0.000 2.291 207 M HA 0.588 5.069 4.480 0.001 0.000 0.324 207 M C 1.603 177.949 176.300 0.078 0.000 1.148 207 M CA -0.143 55.138 55.300 -0.031 0.000 1.104 207 M CB 0.968 33.496 32.600 -0.120 0.000 1.483 207 M HN 1.097 nan 8.290 nan 0.000 0.467 208 A N 1.082 123.966 122.820 0.107 0.000 1.975 208 A HA 0.491 4.811 4.320 0.001 0.000 0.215 208 A C 1.003 178.667 177.584 0.134 0.000 1.170 208 A CA 1.467 53.576 52.037 0.119 0.000 0.656 208 A CB -0.021 19.060 19.000 0.134 0.000 0.821 208 A HN 0.889 nan 8.150 nan 0.000 0.449 209 A N -1.777 121.181 122.820 0.230 0.000 2.765 209 A HA 0.671 4.991 4.320 0.001 0.000 0.305 209 A C -0.299 177.508 177.584 0.372 0.000 1.229 209 A CA 0.292 52.489 52.037 0.267 0.000 0.653 209 A CB -0.003 19.173 19.000 0.294 0.000 1.375 209 A HN 0.486 nan 8.150 nan 0.000 0.540 210 S N -1.017 114.851 115.700 0.279 0.000 2.475 210 S HA 0.785 5.256 4.470 0.001 0.000 0.298 210 S C -0.270 174.259 174.600 -0.119 0.000 1.119 210 S CA 0.427 58.669 58.200 0.070 0.000 1.085 210 S CB 0.871 64.098 63.200 0.045 0.000 1.028 210 S HN 2.235 nan 8.310 nan 0.000 0.489 211 A N 3.229 125.623 122.820 -0.710 0.000 2.511 211 A HA 0.733 5.053 4.320 0.001 0.000 0.293 211 A C -2.002 174.953 177.584 -1.049 0.000 1.098 211 A CA -0.700 50.927 52.037 -0.682 0.000 0.643 211 A CB 0.561 19.466 19.000 -0.157 0.000 1.302 211 A HN 0.971 nan 8.150 nan 0.000 0.446 212 F N 0.228 119.692 119.950 -0.811 0.000 2.540 212 F HA 0.833 5.361 4.527 0.001 0.000 0.317 212 F C -1.102 174.488 175.800 -0.349 0.000 1.104 212 F CA -0.798 56.830 58.000 -0.620 0.000 0.913 212 F CB 1.288 39.833 39.000 -0.759 0.000 1.170 212 F HN 0.476 nan 8.300 nan 0.000 0.450 213 I N 6.975 126.999 120.570 -0.909 0.000 2.545 213 I HA 0.417 4.588 4.170 0.001 0.000 0.292 213 I C -0.864 174.628 176.117 -1.041 0.000 1.040 213 I CA -0.776 60.159 61.300 -0.608 0.000 1.068 213 I CB 2.131 40.066 38.000 -0.109 0.000 1.251 213 I HN 0.646 nan 8.210 nan 0.000 0.424 214 M N 6.846 126.067 119.600 -0.632 0.000 2.294 214 M HA 0.652 5.132 4.480 0.001 0.000 0.335 214 M C -1.842 174.201 176.300 -0.428 0.000 1.079 214 M CA -0.584 54.422 55.300 -0.489 0.000 0.982 214 M CB 1.734 34.309 32.600 -0.042 0.000 1.651 214 M HN 0.334 nan 8.290 nan 0.000 0.437 215 V N 3.811 123.300 119.914 -0.708 0.000 2.531 215 V HA 0.920 5.040 4.120 0.001 0.000 0.301 215 V C 0.032 175.868 176.094 -0.430 0.000 1.034 215 V CA -0.581 61.392 62.300 -0.545 0.000 0.865 215 V CB 1.643 33.097 31.823 -0.615 0.000 0.995 215 V HN 1.011 nan 8.190 nan 0.000 0.424 216 G N 3.228 111.920 108.800 -0.180 0.000 2.690 216 G HA2 0.722 4.683 3.960 0.001 0.000 0.293 216 G HA3 0.722 4.683 3.960 0.001 0.000 0.293 216 G C -1.332 173.560 174.900 -0.013 0.000 1.399 216 G CA -0.595 44.431 45.100 -0.123 0.000 0.890 216 G HN 0.775 nan 8.290 nan 0.000 0.485 217 N N -1.552 117.078 118.700 -0.116 0.000 3.379 217 N HA 0.542 5.282 4.740 0.001 0.000 0.350 217 N C 1.343 176.589 175.510 -0.440 0.000 1.553 217 N CA 0.047 52.993 53.050 -0.174 0.000 0.712 217 N CB 0.363 38.865 38.487 0.025 0.000 1.880 217 N HN 0.676 nan 8.380 nan 0.000 0.648 218 G N -1.895 106.811 108.800 -0.156 0.000 2.598 218 G HA2 -0.204 3.757 3.960 0.001 0.000 0.215 218 G HA3 -0.204 3.757 3.960 0.001 0.000 0.215 218 G C 0.936 175.881 174.900 0.074 0.000 1.131 218 G CA 0.808 45.882 45.100 -0.044 0.000 0.785 218 G HN 0.792 nan 8.290 nan 0.000 0.539 219 H N 0.352 119.417 119.070 -0.008 0.000 2.695 219 H HA 0.186 4.742 4.556 0.001 0.000 0.267 219 H C 0.139 175.474 175.328 0.012 0.000 0.973 219 H CA 0.950 57.007 56.048 0.015 0.000 1.223 219 H CB 0.875 30.640 29.762 0.005 0.000 1.442 219 H HN 0.524 nan 8.280 nan 0.000 0.478 220 E N 0.281 120.413 120.200 -0.113 0.000 2.392 220 E HA 0.657 5.008 4.350 0.001 0.000 0.279 220 E C -1.777 174.667 176.600 -0.259 0.000 0.964 220 E CA -1.158 55.122 56.400 -0.201 0.000 0.777 220 E CB 2.437 32.091 29.700 -0.077 0.000 1.249 220 E HN 0.195 nan 8.360 nan 0.000 0.449 221 A N 1.484 124.083 122.820 -0.369 0.000 2.587 221 A HA 0.841 5.161 4.320 0.001 0.000 0.293 221 A C -1.563 175.927 177.584 -0.157 0.000 1.087 221 A CA -0.796 50.958 52.037 -0.471 0.000 0.692 221 A CB 1.092 19.370 19.000 -1.203 0.000 1.291 221 A HN 0.803 nan 8.150 nan 0.000 0.407 222 F N -0.831 118.997 119.950 -0.204 0.000 2.645 222 F HA 0.867 5.395 4.527 0.001 0.000 0.310 222 F C -0.009 175.749 175.800 -0.070 0.000 1.102 222 F CA -0.512 57.417 58.000 -0.117 0.000 0.952 222 F CB 1.213 40.142 39.000 -0.118 0.000 1.326 222 F HN 0.925 nan 8.300 nan 0.000 0.456 223 G N 1.251 110.128 108.800 0.130 0.000 2.453 223 G HA2 0.668 4.628 3.960 0.001 0.000 0.323 223 G HA3 0.668 4.628 3.960 0.001 0.000 0.323 223 G C -2.505 172.495 174.900 0.167 0.000 1.198 223 G CA -1.056 44.022 45.100 -0.037 0.000 0.959 223 G HN 0.773 nan 8.290 nan 0.000 0.482 224 L N 0.707 121.826 121.223 -0.174 0.000 2.406 224 L HA 0.440 4.780 4.340 0.001 0.000 0.270 224 L C -0.238 176.718 176.870 0.143 0.000 0.982 224 L CA -0.472 54.475 54.840 0.179 0.000 0.843 224 L CB 1.751 44.012 42.059 0.337 0.000 1.225 224 L HN 0.576 nan 8.230 nan 0.000 0.412 225 E N 4.890 125.281 120.200 0.317 0.000 2.167 225 E HA 0.513 4.863 4.350 0.001 0.000 0.284 225 E C -1.329 175.471 176.600 0.333 0.000 1.016 225 E CA -0.276 56.289 56.400 0.275 0.000 0.817 225 E CB 1.118 31.074 29.700 0.425 0.000 1.080 225 E HN 0.407 nan 8.360 nan 0.000 0.397 226 F N 0.186 120.232 119.950 0.159 0.000 2.629 226 F HA 0.722 5.250 4.527 0.001 0.000 0.316 226 F C -0.330 175.514 175.800 0.074 0.000 1.081 226 F CA -1.015 57.062 58.000 0.128 0.000 0.954 226 F CB 1.226 40.282 39.000 0.094 0.000 1.337 226 F HN 0.303 nan 8.300 nan 0.000 0.474 227 S N -0.546 115.358 115.700 0.341 0.000 2.720 227 S HA 0.639 5.109 4.470 0.001 0.000 0.287 227 S C -2.765 171.981 174.600 0.243 0.000 1.168 227 S CA -1.552 56.798 58.200 0.250 0.000 0.832 227 S CB 1.668 64.942 63.200 0.122 0.000 1.166 227 S HN 0.365 nan 8.310 nan 0.000 0.493 228 P HA 0.049 nan 4.420 nan 0.000 0.225 228 P C 0.855 178.215 177.300 0.100 0.000 1.148 228 P CA 1.395 64.566 63.100 0.118 0.000 0.779 228 P CB -0.179 31.568 31.700 0.079 0.000 0.780 229 T N -6.759 107.862 114.554 0.112 0.000 3.145 229 T HA 0.345 4.695 4.350 0.001 0.000 0.281 229 T C 0.247 175.024 174.700 0.128 0.000 1.003 229 T CA -0.343 61.817 62.100 0.101 0.000 0.901 229 T CB -0.133 68.786 68.868 0.085 0.000 1.112 229 T HN -0.088 nan 8.240 nan 0.000 0.535 230 S N 0.584 116.385 115.700 0.169 0.000 2.562 230 S HA 0.679 5.150 4.470 0.001 0.000 0.274 230 S C -1.833 172.932 174.600 0.275 0.000 1.160 230 S CA -0.789 57.550 58.200 0.230 0.000 0.933 230 S CB 0.887 64.286 63.200 0.331 0.000 1.100 230 S HN 0.407 nan 8.310 nan 0.000 0.468 231 I N 5.006 125.716 120.570 0.233 0.000 2.497 231 I HA 0.532 4.703 4.170 0.001 0.000 0.284 231 I C -0.457 175.780 176.117 0.201 0.000 1.060 231 I CA -0.686 60.759 61.300 0.242 0.000 1.071 231 I CB 1.601 39.681 38.000 0.133 0.000 1.216 231 I HN 0.386 nan 8.210 nan 0.000 0.442 232 R N 4.609 125.244 120.500 0.224 0.000 2.621 232 R HA 0.483 4.823 4.340 0.001 0.000 0.292 232 R C -0.801 175.601 176.300 0.169 0.000 0.969 232 R CA -0.980 55.182 56.100 0.104 0.000 0.887 232 R CB 2.989 33.211 30.300 -0.130 0.000 1.180 232 R HN 0.509 nan 8.270 nan 0.000 0.450 233 K N 1.948 122.427 120.400 0.132 0.000 2.183 233 K HA 0.148 4.469 4.320 0.001 0.000 0.274 233 K C -0.584 176.095 176.600 0.132 0.000 1.009 233 K CA -0.291 56.088 56.287 0.153 0.000 0.888 233 K CB 1.371 33.883 32.500 0.021 0.000 1.078 233 K HN 0.452 nan 8.250 nan 0.000 0.459 234 Q N 3.448 123.374 119.800 0.209 0.000 2.241 234 Q HA 0.349 4.690 4.340 0.001 0.000 0.254 234 Q C -0.794 175.297 176.000 0.152 0.000 0.917 234 Q CA -0.838 55.078 55.803 0.188 0.000 0.919 234 Q CB 1.398 30.309 28.738 0.289 0.000 1.237 234 Q HN 0.535 nan 8.270 nan 0.000 0.434 235 V N 1.024 120.994 119.914 0.093 0.000 3.113 235 V HA 0.561 4.682 4.120 0.001 0.000 0.316 235 V C -0.244 175.881 176.094 0.052 0.000 1.125 235 V CA -1.226 61.106 62.300 0.052 0.000 1.026 235 V CB 1.287 33.117 31.823 0.012 0.000 1.080 235 V HN 0.785 nan 8.190 nan 0.000 0.444 236 L N 2.539 123.776 121.223 0.023 0.000 2.485 236 L HA 0.265 4.605 4.340 0.001 0.000 0.275 236 L C 0.553 177.456 176.870 0.054 0.000 1.207 236 L CA -0.066 54.803 54.840 0.048 0.000 0.855 236 L CB 0.143 42.223 42.059 0.035 0.000 1.114 236 L HN 1.021 nan 8.230 nan 0.000 0.485 237 D N 2.023 122.467 120.400 0.073 0.000 2.440 237 D HA 0.181 4.822 4.640 0.001 0.000 0.269 237 D C 0.923 177.255 176.300 0.054 0.000 1.249 237 D CA -0.073 53.965 54.000 0.063 0.000 1.055 237 D CB 0.639 41.482 40.800 0.072 0.000 1.104 237 D HN 0.479 nan 8.370 nan 0.000 0.561 238 A N -0.565 122.283 122.820 0.047 0.000 2.070 238 A HA -0.160 4.160 4.320 0.001 0.000 0.220 238 A C 1.423 179.032 177.584 0.042 0.000 1.159 238 A CA 0.974 53.034 52.037 0.038 0.000 0.656 238 A CB -0.687 18.333 19.000 0.034 0.000 0.800 238 A HN 0.527 nan 8.150 nan 0.000 0.453 239 N N -0.744 117.988 118.700 0.053 0.000 2.270 239 N HA 0.177 4.918 4.740 0.001 0.000 0.198 239 N C 0.939 176.495 175.510 0.076 0.000 1.117 239 N CA 0.841 53.925 53.050 0.057 0.000 0.845 239 N CB 0.463 38.985 38.487 0.058 0.000 0.980 239 N HN 0.559 nan 8.380 nan 0.000 0.486 240 G N 1.378 110.228 108.800 0.083 0.000 2.198 240 G HA2 -0.313 3.648 3.960 0.001 0.000 0.257 240 G HA3 -0.313 3.648 3.960 0.001 0.000 0.257 240 G C -0.016 174.991 174.900 0.178 0.000 1.042 240 G CA 0.032 45.201 45.100 0.114 0.000 0.791 240 G HN 0.324 nan 8.290 nan 0.000 0.502 241 R N -1.153 119.443 120.500 0.160 0.000 2.778 241 R HA 0.835 5.176 4.340 0.001 0.000 0.277 241 R C -0.128 176.285 176.300 0.187 0.000 0.977 241 R CA -0.844 55.373 56.100 0.195 0.000 0.950 241 R CB 1.697 32.081 30.300 0.139 0.000 1.165 241 R HN 0.265 nan 8.270 nan 0.000 0.474 242 M N 2.063 121.803 119.600 0.233 0.000 2.271 242 M HA 0.396 4.877 4.480 0.001 0.000 0.285 242 M C -1.806 174.615 176.300 0.201 0.000 1.059 242 M CA -0.776 54.648 55.300 0.205 0.000 0.940 242 M CB 2.153 34.880 32.600 0.211 0.000 1.636 242 M HN 0.336 nan 8.290 nan 0.000 0.460 243 V N 3.942 123.940 119.914 0.140 0.000 2.604 243 V HA 0.618 4.739 4.120 0.001 0.000 0.305 243 V C -0.873 175.291 176.094 0.116 0.000 1.043 243 V CA -0.675 61.669 62.300 0.074 0.000 0.888 243 V CB 1.990 33.700 31.823 -0.187 0.000 0.995 243 V HN 0.781 nan 8.190 nan 0.000 0.429 244 H N 1.875 120.907 119.070 -0.063 0.000 2.894 244 H HA 0.603 5.159 4.556 0.001 0.000 0.367 244 H C -0.321 174.867 175.328 -0.232 0.000 1.144 244 H CA 0.387 56.242 56.048 -0.321 0.000 1.180 244 H CB 2.721 31.885 29.762 -0.997 0.000 1.758 244 H HN 0.863 nan 8.280 nan 0.000 0.541 245 T N 0.593 114.845 114.554 -0.505 0.000 1.744 245 T HA 0.207 4.558 4.350 0.001 0.000 0.186 245 T C 0.245 174.804 174.700 -0.236 0.000 0.723 245 T CA -0.488 61.471 62.100 -0.234 0.000 1.264 245 T CB 0.370 69.159 68.868 -0.130 0.000 3.334 245 T HN 0.555 nan 8.240 nan 0.000 0.421 246 N N 1.394 119.961 118.700 -0.221 0.000 2.416 246 N HA 0.255 4.995 4.740 0.001 0.000 0.267 246 N C -0.722 174.682 175.510 -0.177 0.000 1.294 246 N CA -0.603 52.356 53.050 -0.151 0.000 0.891 246 N CB 0.344 38.819 38.487 -0.021 0.000 1.238 246 N HN 0.669 nan 8.380 nan 0.000 0.508 247 H N -2.214 116.554 119.070 -0.503 0.000 2.980 247 H HA 0.399 4.955 4.556 0.001 0.000 0.367 247 H C -0.985 174.063 175.328 -0.466 0.000 1.206 247 H CA -0.889 54.840 56.048 -0.531 0.000 1.126 247 H CB 0.482 29.612 29.762 -1.053 0.000 1.838 247 H HN -0.140 nan 8.280 nan 0.000 0.552 248 C N 2.594 121.760 119.300 -0.225 0.000 2.648 248 C HA 0.105 4.566 4.460 0.001 0.000 0.415 248 C C 2.180 177.054 174.990 -0.194 0.000 1.366 248 C CA -0.256 58.702 59.018 -0.101 0.000 1.756 248 C CB -1.280 26.507 27.740 0.079 0.000 2.549 248 C HN 0.673 nan 8.230 nan 0.000 0.597 249 L N 3.043 124.138 121.223 -0.213 0.000 2.556 249 L HA 0.233 4.574 4.340 0.001 0.000 0.226 249 L C 0.513 177.359 176.870 -0.040 0.000 1.089 249 L CA 0.475 55.182 54.840 -0.222 0.000 0.864 249 L CB -0.324 41.535 42.059 -0.334 0.000 1.067 249 L HN 0.577 nan 8.230 nan 0.000 0.477 250 L N -0.307 120.935 121.223 0.032 0.000 2.358 250 L HA 0.312 4.652 4.340 0.001 0.000 0.268 250 L C 0.108 176.945 176.870 -0.056 0.000 1.032 250 L CA -0.825 53.994 54.840 -0.034 0.000 0.805 250 L CB 0.839 42.835 42.059 -0.104 0.000 1.253 250 L HN -0.026 nan 8.230 nan 0.000 0.452 251 Q N 2.022 121.765 119.800 -0.094 0.000 2.534 251 Q HA 0.193 4.533 4.340 0.001 0.000 0.223 251 Q C -0.495 175.447 176.000 -0.096 0.000 1.239 251 Q CA 0.072 55.852 55.803 -0.039 0.000 0.936 251 Q CB -0.273 28.458 28.738 -0.011 0.000 1.457 251 Q HN 0.393 nan 8.270 nan 0.000 0.547 252 H N 0.083 119.191 119.070 0.063 0.000 2.547 252 H HA 0.214 4.771 4.556 0.001 0.000 0.362 252 H C 0.862 176.227 175.328 0.061 0.000 1.181 252 H CA -0.105 55.984 56.048 0.068 0.000 1.376 252 H CB 0.859 30.666 29.762 0.075 0.000 1.488 252 H HN 0.559 nan 8.280 nan 0.000 0.583 253 G N 0.628 109.536 108.800 0.180 0.000 2.562 253 G HA2 -0.106 3.855 3.960 0.001 0.000 0.233 253 G HA3 -0.106 3.855 3.960 0.001 0.000 0.233 253 G C 0.835 175.803 174.900 0.112 0.000 1.266 253 G CA -0.367 44.804 45.100 0.118 0.000 0.852 253 G HN 0.610 nan 8.290 nan 0.000 0.581 254 K N 0.751 121.201 120.400 0.083 0.000 2.209 254 K HA -0.129 4.191 4.320 0.001 0.000 0.204 254 K C 2.164 178.805 176.600 0.069 0.000 1.048 254 K CA 1.316 57.646 56.287 0.072 0.000 0.940 254 K CB 0.005 32.538 32.500 0.055 0.000 0.729 254 K HN 0.684 nan 8.250 nan 0.000 0.451 255 N N 1.110 119.852 118.700 0.070 0.000 2.459 255 N HA -0.112 4.628 4.740 0.001 0.000 0.181 255 N C 0.004 175.556 175.510 0.071 0.000 1.046 255 N CA 0.709 53.798 53.050 0.065 0.000 0.904 255 N CB 0.000 38.524 38.487 0.061 0.000 0.964 255 N HN 0.070 nan 8.380 nan 0.000 0.444 256 E N 1.274 121.524 120.200 0.082 0.000 2.338 256 E HA 0.210 4.560 4.350 0.001 0.000 0.272 256 E C -0.400 176.236 176.600 0.060 0.000 1.029 256 E CA 0.135 56.578 56.400 0.070 0.000 0.872 256 E CB 1.170 30.913 29.700 0.073 0.000 1.015 256 E HN 0.251 nan 8.360 nan 0.000 0.417 257 K N 2.427 122.859 120.400 0.054 0.000 2.502 257 K HA 0.215 4.536 4.320 0.001 0.000 0.254 257 K C -0.405 176.230 176.600 0.060 0.000 0.947 257 K CA -0.460 55.862 56.287 0.059 0.000 0.834 257 K CB 1.947 34.485 32.500 0.063 0.000 1.112 257 K HN 0.396 nan 8.250 nan 0.000 0.427 258 E N 4.205 124.445 120.200 0.067 0.000 2.259 258 E HA 0.145 4.496 4.350 0.001 0.000 0.281 258 E C -0.926 175.730 176.600 0.094 0.000 1.037 258 E CA -0.426 56.027 56.400 0.088 0.000 0.854 258 E CB 0.585 30.357 29.700 0.119 0.000 1.051 258 E HN 0.408 nan 8.360 nan 0.000 0.409 259 L N 5.234 126.518 121.223 0.101 0.000 2.287 259 L HA 0.216 4.556 4.340 0.001 0.000 0.280 259 L C -0.291 176.595 176.870 0.027 0.000 1.055 259 L CA -0.472 54.399 54.840 0.052 0.000 0.863 259 L CB 0.604 42.673 42.059 0.017 0.000 1.245 259 L HN 0.781 nan 8.230 nan 0.000 0.432 260 D N 2.202 122.618 120.400 0.027 0.000 2.697 260 D HA -0.121 4.519 4.640 0.001 0.000 0.238 260 D C -2.045 174.267 176.300 0.021 0.000 1.152 260 D CA 0.024 54.024 54.000 -0.000 0.000 0.666 260 D CB 0.051 40.823 40.800 -0.047 0.000 1.037 260 D HN 0.251 nan 8.370 nan 0.000 0.423 261 P HA 0.136 nan 4.420 nan 0.000 0.274 261 P C 0.432 177.842 177.300 0.184 0.000 1.237 261 P CA -0.530 62.706 63.100 0.226 0.000 0.793 261 P CB 0.611 32.520 31.700 0.349 0.000 0.977 262 L N 3.047 124.365 121.223 0.158 0.000 2.513 262 L HA 0.025 4.365 4.340 0.001 0.000 0.272 262 L C -1.056 175.910 176.870 0.160 0.000 1.187 262 L CA -1.209 53.683 54.840 0.086 0.000 0.895 262 L CB -0.142 41.951 42.059 0.058 0.000 1.147 262 L HN 0.299 nan 8.230 nan 0.000 0.483 263 P HA -0.197 nan 4.420 nan 0.000 0.216 263 P C 0.900 178.247 177.300 0.080 0.000 1.150 263 P CA 1.286 64.380 63.100 -0.010 0.000 0.837 263 P CB 0.032 31.623 31.700 -0.182 0.000 0.786 264 D N -1.593 118.787 120.400 -0.033 0.000 2.310 264 D HA -0.114 4.527 4.640 0.001 0.000 0.212 264 D C 1.825 178.174 176.300 0.082 0.000 0.965 264 D CA 0.791 54.792 54.000 0.001 0.000 0.879 264 D CB -0.896 39.879 40.800 -0.041 0.000 0.921 264 D HN 0.001 nan 8.370 nan 0.000 0.510 265 S N -0.987 114.774 115.700 0.101 0.000 2.383 265 S HA -0.164 4.306 4.470 0.001 0.000 0.229 265 S C 1.501 176.072 174.600 -0.047 0.000 1.030 265 S CA 1.049 59.261 58.200 0.021 0.000 1.002 265 S CB -0.502 62.665 63.200 -0.056 0.000 0.829 265 S HN 0.512 nan 8.310 nan 0.000 0.467 266 W N 1.402 122.570 121.300 -0.221 0.000 2.407 266 W HA -0.046 4.614 4.660 0.001 0.000 0.305 266 W C 2.036 178.542 176.519 -0.022 0.000 1.196 266 W CA 0.890 58.114 57.345 -0.203 0.000 1.311 266 W CB -1.096 28.183 29.460 -0.301 0.000 1.135 266 W HN 0.396 nan 8.180 nan 0.000 0.514 267 N N 0.372 119.183 118.700 0.184 0.000 2.069 267 N HA -0.173 4.568 4.740 0.001 0.000 0.191 267 N C 1.692 177.251 175.510 0.082 0.000 1.031 267 N CA 1.690 54.802 53.050 0.103 0.000 0.852 267 N CB -0.793 37.731 38.487 0.062 0.000 1.018 267 N HN 0.087 nan 8.380 nan 0.000 0.423 268 R N -0.475 120.072 120.500 0.079 0.000 2.092 268 R HA -0.078 4.263 4.340 0.001 0.000 0.231 268 R C 2.121 178.438 176.300 0.029 0.000 1.119 268 R CA 0.983 57.109 56.100 0.043 0.000 0.970 268 R CB -0.432 29.892 30.300 0.041 0.000 0.864 268 R HN 0.486 nan 8.270 nan 0.000 0.440 269 H N 1.316 120.374 119.070 -0.020 0.000 2.321 269 H HA -0.103 4.453 4.556 0.001 0.000 0.300 269 H C 1.703 177.024 175.328 -0.011 0.000 1.087 269 H CA 1.779 57.797 56.048 -0.050 0.000 1.319 269 H CB 0.284 30.003 29.762 -0.071 0.000 1.379 269 H HN 0.249 nan 8.280 nan 0.000 0.501 270 Q N -0.130 119.736 119.800 0.110 0.000 2.124 270 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 270 Q C 2.548 178.564 176.000 0.026 0.000 0.977 270 Q CA 1.500 57.349 55.803 0.075 0.000 0.850 270 Q CB 0.030 28.839 28.738 0.118 0.000 0.901 270 Q HN 0.182 nan 8.270 nan 0.000 0.429 271 R N 0.600 121.107 120.500 0.011 0.000 2.066 271 R HA -0.130 4.210 4.340 0.001 0.000 0.232 271 R C 1.998 178.300 176.300 0.003 0.000 1.131 271 R CA 1.547 57.662 56.100 0.025 0.000 0.955 271 R CB -0.378 29.920 30.300 -0.002 0.000 0.851 271 R HN 0.206 nan 8.270 nan 0.000 0.432 272 M N 0.913 120.442 119.600 -0.119 0.000 2.117 272 M HA -0.077 4.403 4.480 0.001 0.000 0.262 272 M C 1.546 177.726 176.300 -0.199 0.000 1.065 272 M CA 1.741 56.904 55.300 -0.228 0.000 1.114 272 M CB -0.232 32.192 32.600 -0.293 0.000 1.361 272 M HN 0.175 nan 8.290 nan 0.000 0.408 273 E N -0.709 119.376 120.200 -0.191 0.000 2.058 273 E HA -0.236 4.114 4.350 0.001 0.000 0.194 273 E C 1.996 178.584 176.600 -0.020 0.000 0.997 273 E CA 1.755 58.079 56.400 -0.126 0.000 0.801 273 E CB -0.720 28.900 29.700 -0.133 0.000 0.746 273 E HN 0.635 nan 8.360 nan 0.000 0.450 274 F N 1.647 121.541 119.950 -0.095 0.000 2.102 274 F HA -0.178 4.350 4.527 0.001 0.000 0.298 274 F C 2.193 177.958 175.800 -0.057 0.000 1.105 274 F CA 1.237 59.203 58.000 -0.056 0.000 1.239 274 F CB -0.319 38.653 39.000 -0.047 0.000 0.991 274 F HN -0.100 nan 8.300 nan 0.000 0.474 275 L N -0.071 121.053 121.223 -0.164 0.000 2.046 275 L HA -0.246 4.095 4.340 0.001 0.000 0.208 275 L C 2.515 179.238 176.870 -0.244 0.000 1.077 275 L CA 1.227 55.902 54.840 -0.274 0.000 0.747 275 L CB -0.879 41.040 42.059 -0.234 0.000 0.896 275 L HN 0.237 nan 8.230 nan 0.000 0.432 276 L N -0.468 120.632 121.223 -0.205 0.000 2.131 276 L HA -0.231 4.109 4.340 0.001 0.000 0.210 276 L C 2.107 179.033 176.870 0.093 0.000 1.092 276 L CA 1.065 55.877 54.840 -0.047 0.000 0.759 276 L CB -0.528 41.497 42.059 -0.057 0.000 0.903 276 L HN 0.275 nan 8.230 nan 0.000 0.435 277 D N -0.042 120.316 120.400 -0.069 0.000 2.178 277 D HA -0.117 4.523 4.640 0.001 0.000 0.202 277 D C 2.034 178.261 176.300 -0.121 0.000 0.974 277 D CA 1.297 55.246 54.000 -0.084 0.000 0.841 277 D CB 0.098 40.826 40.800 -0.120 0.000 0.953 277 D HN 0.231 nan 8.370 nan 0.000 0.478 278 G N -0.917 107.752 108.800 -0.219 0.000 2.796 278 G HA2 0.045 4.006 3.960 0.001 0.000 0.210 278 G HA3 0.045 4.006 3.960 0.001 0.000 0.210 278 G C 0.471 175.350 174.900 -0.034 0.000 1.146 278 G CA -0.221 44.763 45.100 -0.193 0.000 0.779 278 G HN 0.273 nan 8.290 nan 0.000 0.535 279 F N 1.892 121.750 119.950 -0.154 0.000 2.410 279 F HA 0.375 4.903 4.527 0.001 0.000 0.334 279 F C 0.995 176.766 175.800 -0.048 0.000 1.134 279 F CA -1.773 56.174 58.000 -0.088 0.000 1.227 279 F CB 0.994 39.954 39.000 -0.067 0.000 1.194 279 F HN 0.041 nan 8.300 nan 0.000 0.571 280 D N 0.236 120.397 120.400 -0.399 0.000 2.349 280 D HA 0.176 4.816 4.640 0.001 0.000 0.224 280 D C 1.585 177.510 176.300 -0.626 0.000 1.029 280 D CA 0.577 54.331 54.000 -0.410 0.000 0.879 280 D CB -0.052 40.641 40.800 -0.179 0.000 0.906 280 D HN 1.104 nan 8.370 nan 0.000 0.528 281 G N 0.002 108.002 108.800 -1.333 0.000 2.213 281 G HA2 -0.269 3.692 3.960 0.001 0.000 0.236 281 G HA3 -0.269 3.692 3.960 0.001 0.000 0.236 281 G C 0.540 175.278 174.900 -0.270 0.000 0.991 281 G CA 0.383 44.923 45.100 -0.933 0.000 0.629 281 G HN 0.798 nan 8.290 nan 0.000 0.517 282 T N -1.215 113.265 114.554 -0.123 0.000 2.898 282 T HA 0.518 4.869 4.350 0.001 0.000 0.301 282 T C 1.287 176.115 174.700 0.213 0.000 1.049 282 T CA 0.717 62.846 62.100 0.049 0.000 1.095 282 T CB 2.006 70.897 68.868 0.039 0.000 0.976 282 T HN 0.405 nan 8.240 nan 0.000 0.539 283 K N 0.794 121.283 120.400 0.148 0.000 2.103 283 K HA -0.234 4.086 4.320 0.001 0.000 0.207 283 K C 2.390 179.128 176.600 0.231 0.000 1.048 283 K CA 1.684 58.083 56.287 0.185 0.000 0.930 283 K CB -0.224 32.333 32.500 0.094 0.000 0.716 283 K HN 0.732 nan 8.250 nan 0.000 0.444 284 Q N 0.136 120.032 119.800 0.161 0.000 2.084 284 Q HA -0.094 4.247 4.340 0.001 0.000 0.202 284 Q C 1.788 177.887 176.000 0.165 0.000 0.978 284 Q CA 1.998 57.881 55.803 0.134 0.000 0.844 284 Q CB -0.321 28.468 28.738 0.085 0.000 0.898 284 Q HN 0.413 nan 8.270 nan 0.000 0.426 285 A N -0.552 122.398 122.820 0.217 0.000 1.930 285 A HA -0.124 4.196 4.320 0.001 0.000 0.217 285 A C 1.949 179.689 177.584 0.260 0.000 1.175 285 A CA 1.189 53.379 52.037 0.254 0.000 0.627 285 A CB -0.924 18.277 19.000 0.334 0.000 0.815 285 A HN 0.571 nan 8.150 nan 0.000 0.443 286 F N 1.034 121.104 119.950 0.200 0.000 2.134 286 F HA -0.098 4.429 4.527 0.001 0.000 0.299 286 F C 2.528 178.362 175.800 0.057 0.000 1.097 286 F CA 1.145 59.130 58.000 -0.025 0.000 1.264 286 F CB -0.384 38.687 39.000 0.118 0.000 1.001 286 F HN 0.249 nan 8.300 nan 0.000 0.479 287 A N -0.313 122.659 122.820 0.252 0.000 1.933 287 A HA -0.251 4.070 4.320 0.001 0.000 0.218 287 A C 2.104 179.754 177.584 0.110 0.000 1.175 287 A CA 1.863 54.033 52.037 0.221 0.000 0.628 287 A CB -0.842 18.255 19.000 0.161 0.000 0.814 287 A HN 0.587 nan 8.150 nan 0.000 0.444 288 Q N -0.474 119.338 119.800 0.020 0.000 2.291 288 Q HA 0.020 4.361 4.340 0.001 0.000 0.205 288 Q C 1.864 177.774 176.000 -0.149 0.000 0.970 288 Q CA 0.833 56.618 55.803 -0.030 0.000 0.876 288 Q CB -0.289 28.445 28.738 -0.007 0.000 0.935 288 Q HN 0.707 nan 8.270 nan 0.000 0.455 289 L N -1.277 119.727 121.223 -0.365 0.000 2.127 289 L HA -0.185 4.156 4.340 0.001 0.000 0.211 289 L C 1.471 177.966 176.870 -0.626 0.000 1.089 289 L CA 1.150 55.619 54.840 -0.619 0.000 0.757 289 L CB -0.416 41.004 42.059 -1.065 0.000 0.899 289 L HN 0.413 nan 8.230 nan 0.000 0.434 290 W N -0.626 120.521 121.300 -0.255 0.000 2.800 290 W HA 0.093 4.753 4.660 0.001 0.000 0.249 290 W C 2.118 178.564 176.519 -0.122 0.000 1.294 290 W CA 0.321 57.542 57.345 -0.206 0.000 1.402 290 W CB -0.090 29.233 29.460 -0.227 0.000 1.126 290 W HN 0.004 nan 8.180 nan 0.000 0.652 291 A N -0.187 122.657 122.820 0.039 0.000 2.337 291 A HA 0.067 4.387 4.320 0.001 0.000 0.227 291 A C -0.076 177.511 177.584 0.004 0.000 1.259 291 A CA -0.110 51.946 52.037 0.032 0.000 0.870 291 A CB -0.615 18.400 19.000 0.025 0.000 0.927 291 A HN 0.086 nan 8.150 nan 0.000 0.497 292 D N 0.247 120.625 120.400 -0.037 0.000 2.425 292 D HA 0.161 4.802 4.640 0.001 0.000 0.247 292 D C 0.581 176.890 176.300 0.016 0.000 1.147 292 D CA 0.466 54.445 54.000 -0.035 0.000 0.879 292 D CB 0.529 41.278 40.800 -0.085 0.000 1.179 292 D HN 0.355 nan 8.370 nan 0.000 0.456 293 E N 2.081 122.303 120.200 0.037 0.000 2.624 293 E HA 0.055 4.406 4.350 0.001 0.000 0.210 293 E C -0.700 175.957 176.600 0.096 0.000 0.997 293 E CA -0.351 56.107 56.400 0.098 0.000 0.999 293 E CB 0.470 30.235 29.700 0.109 0.000 1.040 293 E HN 0.508 nan 8.360 nan 0.000 0.469 294 D N 1.119 121.551 120.400 0.052 0.000 2.455 294 D HA -0.049 4.592 4.640 0.001 0.000 0.241 294 D C 0.514 176.859 176.300 0.075 0.000 1.138 294 D CA 0.753 54.780 54.000 0.045 0.000 0.877 294 D CB 0.343 41.151 40.800 0.012 0.000 1.187 294 D HN -0.042 nan 8.370 nan 0.000 0.451 295 N N 1.901 120.655 118.700 0.090 0.000 2.741 295 N HA -0.296 4.445 4.740 0.001 0.000 0.250 295 N C -1.119 174.486 175.510 0.157 0.000 1.115 295 N CA 0.371 53.502 53.050 0.135 0.000 0.724 295 N CB -1.939 36.628 38.487 0.132 0.000 1.090 295 N HN 0.489 nan 8.380 nan 0.000 0.558 296 Y N 0.942 121.233 120.300 -0.014 0.000 2.904 296 Y HA 0.094 4.644 4.550 0.001 0.000 0.336 296 Y C -1.008 174.765 175.900 -0.213 0.000 1.263 296 Y CA -0.194 57.846 58.100 -0.099 0.000 1.547 296 Y CB 0.724 39.132 38.460 -0.086 0.000 1.272 296 Y HN 0.160 nan 8.280 nan 0.000 0.596 297 P HA -0.000 nan 4.420 nan 0.000 0.255 297 P C 0.045 176.870 177.300 -0.792 0.000 1.248 297 P CA 0.630 62.925 63.100 -1.341 0.000 0.807 297 P CB -0.020 30.918 31.700 -1.270 0.000 1.150 298 F N 1.032 120.851 119.950 -0.218 0.000 2.695 298 F HA 0.096 4.624 4.527 0.001 0.000 0.301 298 F C 1.413 177.166 175.800 -0.080 0.000 1.182 298 F CA -0.364 57.560 58.000 -0.126 0.000 1.412 298 F CB -1.122 37.832 39.000 -0.077 0.000 1.056 298 F HN -0.125 nan 8.300 nan 0.000 0.522 299 S N -0.519 115.188 115.700 0.010 0.000 2.624 299 S HA 0.272 4.743 4.470 0.001 0.000 0.263 299 S C 1.550 176.167 174.600 0.028 0.000 1.287 299 S CA -0.735 57.489 58.200 0.040 0.000 0.990 299 S CB 1.008 64.243 63.200 0.057 0.000 0.950 299 S HN 0.234 nan 8.310 nan 0.000 0.561 300 I N -0.097 120.487 120.570 0.025 0.000 2.113 300 I HA -0.193 3.977 4.170 0.001 0.000 0.242 300 I C 1.679 177.825 176.117 0.048 0.000 1.064 300 I CA 1.281 62.596 61.300 0.025 0.000 1.320 300 I CB -0.282 37.698 38.000 -0.033 0.000 1.028 300 I HN 0.677 nan 8.210 nan 0.000 0.406 301 C N 3.684 123.009 119.300 0.042 0.000 2.218 301 C HA 0.240 4.701 4.460 0.001 0.000 0.353 301 C C 0.985 175.982 174.990 0.012 0.000 1.070 301 C CA -0.681 58.364 59.018 0.046 0.000 1.497 301 C CB -1.622 26.156 27.740 0.063 0.000 1.951 301 C HN 0.207 nan 8.230 nan 0.000 0.493 302 R N 3.476 123.961 120.500 -0.025 0.000 2.539 302 R HA 0.611 4.952 4.340 0.001 0.000 0.275 302 R C -0.180 176.046 176.300 -0.123 0.000 1.077 302 R CA 0.041 56.083 56.100 -0.096 0.000 1.097 302 R CB 0.858 31.109 30.300 -0.081 0.000 1.018 302 R HN 0.811 nan 8.270 nan 0.000 0.483 303 A N 3.069 125.733 122.820 -0.260 0.000 2.435 303 A HA 0.262 4.582 4.320 0.001 0.000 0.304 303 A C -1.608 175.842 177.584 -0.224 0.000 1.064 303 A CA -0.682 51.223 52.037 -0.221 0.000 0.727 303 A CB 0.914 19.723 19.000 -0.318 0.000 1.284 303 A HN 0.761 nan 8.150 nan 0.000 0.415 304 Y N 1.114 121.308 120.300 -0.177 0.000 2.511 304 Y HA 0.441 4.992 4.550 0.001 0.000 0.332 304 Y C 0.238 176.042 175.900 -0.159 0.000 1.177 304 Y CA 0.802 58.813 58.100 -0.147 0.000 1.422 304 Y CB 0.518 38.937 38.460 -0.070 0.000 1.271 304 Y HN 0.740 nan 8.280 nan 0.000 0.550 305 E N 5.412 125.011 120.200 -1.002 0.000 2.313 305 E HA 0.119 4.470 4.350 0.001 0.000 0.280 305 E C -1.535 174.569 176.600 -0.826 0.000 0.898 305 E CA -0.642 55.217 56.400 -0.902 0.000 0.803 305 E CB 0.901 30.288 29.700 -0.521 0.000 1.286 305 E HN 0.829 nan 8.360 nan 0.000 0.401 306 E N 2.474 122.197 120.200 -0.795 0.000 2.493 306 E HA 0.109 4.459 4.350 0.001 0.000 0.255 306 E C 0.714 177.222 176.600 -0.152 0.000 0.999 306 E CA 1.648 57.871 56.400 -0.296 0.000 0.934 306 E CB 0.365 30.028 29.700 -0.063 0.000 0.940 306 E HN 0.865 nan 8.360 nan 0.000 0.473 307 G N 4.382 113.144 108.800 -0.064 0.000 2.254 307 G HA2 -0.285 3.675 3.960 0.001 0.000 0.225 307 G HA3 -0.285 3.675 3.960 0.001 0.000 0.225 307 G C 0.883 175.782 174.900 -0.002 0.000 1.003 307 G CA 0.504 45.591 45.100 -0.022 0.000 0.622 307 G HN 0.576 nan 8.290 nan 0.000 0.507 308 K N -0.573 119.799 120.400 -0.046 0.000 2.363 308 K HA 0.404 4.724 4.320 0.001 0.000 0.215 308 K C 0.700 177.370 176.600 0.116 0.000 1.179 308 K CA 0.750 57.068 56.287 0.052 0.000 0.856 308 K CB 0.593 33.031 32.500 -0.104 0.000 1.371 308 K HN 0.287 nan 8.250 nan 0.000 0.455 309 S N 0.668 116.301 115.700 -0.113 0.000 2.552 309 S HA 0.316 4.787 4.470 0.001 0.000 0.314 309 S C 0.205 174.795 174.600 -0.017 0.000 1.099 309 S CA -0.683 57.483 58.200 -0.057 0.000 1.070 309 S CB 1.361 64.425 63.200 -0.228 0.000 0.998 309 S HN 0.151 nan 8.310 nan 0.000 0.474 310 R N 2.793 123.313 120.500 0.035 0.000 2.193 310 R HA 0.188 4.529 4.340 0.001 0.000 0.213 310 R C 1.169 177.454 176.300 -0.026 0.000 1.055 310 R CA 0.720 56.879 56.100 0.097 0.000 0.995 310 R CB 0.106 30.407 30.300 0.002 0.000 0.893 310 R HN 0.621 nan 8.270 nan 0.000 0.459 311 G N -0.707 108.011 108.800 -0.137 0.000 2.685 311 G HA2 0.730 4.690 3.960 0.001 0.000 0.298 311 G HA3 0.730 4.690 3.960 0.001 0.000 0.298 311 G C -1.614 173.222 174.900 -0.106 0.000 1.277 311 G CA -0.341 44.623 45.100 -0.227 0.000 0.986 311 G HN 0.188 nan 8.290 nan 0.000 0.487 312 A N -0.867 121.884 122.820 -0.114 0.000 2.594 312 A HA 0.788 5.108 4.320 0.001 0.000 0.291 312 A C -0.151 177.381 177.584 -0.086 0.000 1.105 312 A CA -0.541 51.454 52.037 -0.071 0.000 0.694 312 A CB 1.027 20.023 19.000 -0.007 0.000 1.291 312 A HN 0.755 nan 8.150 nan 0.000 0.410 313 T N 1.972 116.493 114.554 -0.056 0.000 2.817 313 T HA 0.305 4.656 4.350 0.001 0.000 0.295 313 T C 1.121 175.829 174.700 0.013 0.000 0.958 313 T CA 0.378 62.450 62.100 -0.048 0.000 1.157 313 T CB -0.213 68.641 68.868 -0.023 0.000 0.898 313 T HN 0.435 nan 8.240 nan 0.000 0.536 314 L N 2.993 124.251 121.223 0.059 0.000 2.470 314 L HA 0.382 4.722 4.340 0.001 0.000 0.219 314 L C 0.238 177.329 176.870 0.369 0.000 1.071 314 L CA 0.167 55.140 54.840 0.220 0.000 0.850 314 L CB 0.104 42.366 42.059 0.338 0.000 1.040 314 L HN 0.671 nan 8.230 nan 0.000 0.475 315 F N -2.233 117.816 119.950 0.166 0.000 2.713 315 F HA 0.487 5.014 4.527 0.001 0.000 0.311 315 F C -1.348 174.450 175.800 -0.004 0.000 1.141 315 F CA -1.243 56.796 58.000 0.064 0.000 0.939 315 F CB 1.194 40.227 39.000 0.054 0.000 1.325 315 F HN -0.237 nan 8.300 nan 0.000 0.453 316 N N 1.817 120.513 118.700 -0.005 0.000 2.238 316 N HA 0.648 5.389 4.740 0.001 0.000 0.302 316 N C -2.118 173.287 175.510 -0.175 0.000 1.072 316 N CA -0.467 52.430 53.050 -0.256 0.000 0.792 316 N CB 2.776 41.108 38.487 -0.259 0.000 1.425 316 N HN 0.938 nan 8.380 nan 0.000 0.478 317 I N 3.101 123.442 120.570 -0.381 0.000 2.647 317 I HA 0.511 4.681 4.170 0.001 0.000 0.295 317 I C -1.353 174.346 176.117 -0.696 0.000 1.078 317 I CA -0.829 60.187 61.300 -0.473 0.000 1.048 317 I CB 1.839 39.609 38.000 -0.382 0.000 1.239 317 I HN 0.510 nan 8.210 nan 0.000 0.421 318 I N 6.984 127.167 120.570 -0.644 0.000 2.466 318 I HA 0.313 4.484 4.170 0.001 0.000 0.289 318 I C -1.448 174.326 176.117 -0.571 0.000 1.026 318 I CA -0.527 60.507 61.300 -0.443 0.000 1.078 318 I CB 1.767 39.707 38.000 -0.099 0.000 1.249 318 I HN 0.376 nan 8.210 nan 0.000 0.429 319 Y N 3.546 123.708 120.300 -0.230 0.000 2.335 319 Y HA 0.290 4.840 4.550 0.001 0.000 0.339 319 Y C 0.152 175.819 175.900 -0.387 0.000 0.987 319 Y CA -0.957 56.906 58.100 -0.396 0.000 1.140 319 Y CB 0.690 38.854 38.460 -0.494 0.000 1.173 319 Y HN 0.397 nan 8.280 nan 0.000 0.486 320 D N 2.760 123.081 120.400 -0.131 0.000 2.479 320 D HA 0.067 4.708 4.640 0.001 0.000 0.218 320 D C 0.905 177.196 176.300 -0.015 0.000 1.131 320 D CA 0.080 54.035 54.000 -0.075 0.000 0.916 320 D CB 0.128 40.917 40.800 -0.018 0.000 1.022 320 D HN 0.639 nan 8.370 nan 0.000 0.515 321 H N 2.584 121.704 119.070 0.084 0.000 2.387 321 H HA -0.141 4.416 4.556 0.001 0.000 0.299 321 H C 1.698 177.090 175.328 0.106 0.000 1.099 321 H CA 1.582 57.701 56.048 0.119 0.000 1.315 321 H CB 0.057 29.870 29.762 0.086 0.000 1.380 321 H HN 0.563 nan 8.280 nan 0.000 0.513 322 A N 1.122 124.045 122.820 0.172 0.000 1.933 322 A HA -0.166 4.154 4.320 0.001 0.000 0.218 322 A C 2.366 180.018 177.584 0.114 0.000 1.175 322 A CA 1.456 53.565 52.037 0.121 0.000 0.628 322 A CB -0.231 18.815 19.000 0.076 0.000 0.814 322 A HN 0.328 nan 8.150 nan 0.000 0.444 323 R N -2.512 118.058 120.500 0.117 0.000 2.334 323 R HA 0.237 4.577 4.340 0.001 0.000 0.212 323 R C 0.387 176.789 176.300 0.170 0.000 0.897 323 R CA 0.249 56.419 56.100 0.116 0.000 1.056 323 R CB 0.224 30.578 30.300 0.089 0.000 1.046 323 R HN 0.452 nan 8.270 nan 0.000 0.513 324 R N 1.972 122.608 120.500 0.228 0.000 3.267 324 R HA -0.186 4.154 4.340 0.001 0.000 0.254 324 R C -1.466 175.140 176.300 0.511 0.000 0.993 324 R CA 0.741 57.062 56.100 0.368 0.000 0.670 324 R CB -1.264 29.201 30.300 0.275 0.000 1.125 324 R HN 0.289 nan 8.270 nan 0.000 0.434 325 E N -0.339 120.093 120.200 0.387 0.000 2.272 325 E HA 0.645 4.995 4.350 0.001 0.000 0.269 325 E C -1.082 175.515 176.600 -0.006 0.000 0.877 325 E CA -0.460 56.093 56.400 0.254 0.000 0.755 325 E CB 2.020 31.786 29.700 0.110 0.000 1.192 325 E HN 0.358 nan 8.360 nan 0.000 0.422 326 A N 2.059 124.732 122.820 -0.246 0.000 2.331 326 A HA 0.614 4.935 4.320 0.001 0.000 0.320 326 A C -0.527 176.842 177.584 -0.358 0.000 1.138 326 A CA -0.547 51.167 52.037 -0.539 0.000 0.790 326 A CB 1.364 19.735 19.000 -1.047 0.000 1.206 326 A HN 0.461 nan 8.150 nan 0.000 0.470 327 T N 2.010 116.344 114.554 -0.367 0.000 2.779 327 T HA 0.532 4.882 4.350 0.001 0.000 0.280 327 T C -0.449 173.985 174.700 -0.444 0.000 0.987 327 T CA -0.244 61.658 62.100 -0.329 0.000 0.966 327 T CB 1.071 69.814 68.868 -0.209 0.000 0.933 327 T HN 0.440 nan 8.240 nan 0.000 0.442 328 V N 4.571 124.105 119.914 -0.633 0.000 2.555 328 V HA 0.547 4.668 4.120 0.001 0.000 0.302 328 V C 0.025 175.745 176.094 -0.624 0.000 1.038 328 V CA -0.966 60.909 62.300 -0.709 0.000 0.887 328 V CB 1.804 32.974 31.823 -1.089 0.000 0.991 328 V HN 0.720 nan 8.190 nan 0.000 0.434 329 R N 3.262 123.573 120.500 -0.314 0.000 2.393 329 R HA 0.560 4.901 4.340 0.001 0.000 0.315 329 R C -1.155 175.125 176.300 -0.034 0.000 0.952 329 R CA -0.810 55.189 56.100 -0.168 0.000 0.842 329 R CB 1.942 32.182 30.300 -0.099 0.000 1.163 329 R HN 0.560 nan 8.270 nan 0.000 0.450 330 L N 2.845 124.075 121.223 0.012 0.000 2.305 330 L HA 0.570 4.911 4.340 0.001 0.000 0.281 330 L C 0.613 177.544 176.870 0.103 0.000 1.085 330 L CA 1.229 56.135 54.840 0.109 0.000 0.813 330 L CB 1.115 43.251 42.059 0.128 0.000 1.157 330 L HN 0.860 nan 8.230 nan 0.000 0.436 331 G N 4.442 113.325 108.800 0.138 0.000 2.545 331 G HA2 -0.175 3.785 3.960 0.001 0.000 0.216 331 G HA3 -0.175 3.785 3.960 0.001 0.000 0.216 331 G C -0.601 174.346 174.900 0.079 0.000 1.314 331 G CA -0.409 44.751 45.100 0.101 0.000 0.906 331 G HN 0.796 nan 8.290 nan 0.000 0.563 332 R N 1.023 121.559 120.500 0.061 0.000 2.298 332 R HA 0.347 4.687 4.340 0.001 0.000 0.310 332 R C -1.654 174.673 176.300 0.046 0.000 1.068 332 R CA -1.108 55.023 56.100 0.051 0.000 0.957 332 R CB 1.106 31.440 30.300 0.056 0.000 1.003 332 R HN 0.231 nan 8.270 nan 0.000 0.454 333 P HA -0.187 nan 4.420 nan 0.000 0.220 333 P C 1.135 178.459 177.300 0.040 0.000 1.144 333 P CA 1.346 64.471 63.100 0.042 0.000 0.800 333 P CB 0.136 31.878 31.700 0.070 0.000 0.772 334 T N -4.988 109.592 114.554 0.044 0.000 2.881 334 T HA -0.109 4.242 4.350 0.001 0.000 0.270 334 T C 0.997 175.714 174.700 0.029 0.000 1.068 334 T CA 1.143 63.264 62.100 0.035 0.000 1.131 334 T CB -0.536 68.356 68.868 0.041 0.000 0.871 334 T HN -0.002 nan 8.240 nan 0.000 0.479 335 N N 1.492 120.212 118.700 0.033 0.000 2.785 335 N HA 0.337 5.077 4.740 0.001 0.000 0.224 335 N C -3.365 172.164 175.510 0.032 0.000 1.448 335 N CA -1.539 51.529 53.050 0.029 0.000 0.748 335 N CB 1.005 39.510 38.487 0.030 0.000 1.385 335 N HN 0.101 nan 8.380 nan 0.000 0.538 336 P HA 0.243 nan 4.420 nan 0.000 0.271 336 P C 0.316 177.637 177.300 0.036 0.000 1.218 336 P CA -0.145 62.974 63.100 0.031 0.000 0.780 336 P CB 1.084 32.793 31.700 0.015 0.000 0.901 337 D N 0.624 121.052 120.400 0.046 0.000 2.144 337 D HA -0.073 4.568 4.640 0.001 0.000 0.200 337 D C 0.652 176.984 176.300 0.052 0.000 0.978 337 D CA 1.451 55.480 54.000 0.049 0.000 0.833 337 D CB 0.400 41.234 40.800 0.058 0.000 0.961 337 D HN 0.685 nan 8.370 nan 0.000 0.470 338 E N -1.390 118.847 120.200 0.061 0.000 2.422 338 E HA 0.450 4.801 4.350 0.001 0.000 0.280 338 E C -1.251 175.383 176.600 0.057 0.000 1.091 338 E CA -0.846 55.601 56.400 0.078 0.000 0.849 338 E CB 1.825 31.598 29.700 0.122 0.000 1.353 338 E HN -0.082 nan 8.360 nan 0.000 0.449 339 M N 1.998 121.635 119.600 0.061 0.000 2.433 339 M HA 0.699 5.180 4.480 0.001 0.000 0.290 339 M C -2.062 174.271 176.300 0.055 0.000 1.173 339 M CA -0.609 54.659 55.300 -0.053 0.000 0.905 339 M CB 1.798 34.359 32.600 -0.065 0.000 1.692 339 M HN 0.696 nan 8.290 nan 0.000 0.462 340 F N 2.190 122.100 119.950 -0.067 0.000 2.711 340 F HA 0.835 5.362 4.527 0.001 0.000 0.313 340 F C -1.709 174.032 175.800 -0.099 0.000 1.141 340 F CA -1.169 56.783 58.000 -0.080 0.000 0.941 340 F CB 0.740 39.682 39.000 -0.097 0.000 1.349 340 F HN 0.422 nan 8.300 nan 0.000 0.464 341 V N -0.024 119.973 119.914 0.138 0.000 2.680 341 V HA 0.727 4.847 4.120 0.001 0.000 0.309 341 V C -0.851 175.293 176.094 0.084 0.000 1.052 341 V CA -1.068 61.244 62.300 0.021 0.000 0.908 341 V CB 1.811 33.629 31.823 -0.010 0.000 1.001 341 V HN 0.936 nan 8.190 nan 0.000 0.431 342 M N 5.759 125.376 119.600 0.029 0.000 2.268 342 M HA 0.744 5.225 4.480 0.001 0.000 0.344 342 M C -0.257 176.078 176.300 0.059 0.000 1.106 342 M CA -0.564 54.751 55.300 0.024 0.000 1.010 342 M CB 2.081 34.724 32.600 0.072 0.000 1.649 342 M HN 0.970 nan 8.290 nan 0.000 0.443 343 R N 1.480 121.919 120.500 -0.101 0.000 2.752 343 R HA 0.690 5.030 4.340 0.001 0.000 0.271 343 R C -1.957 174.116 176.300 -0.378 0.000 1.026 343 R CA -0.815 55.201 56.100 -0.140 0.000 0.901 343 R CB 1.348 31.671 30.300 0.039 0.000 1.243 343 R HN 0.407 nan 8.270 nan 0.000 0.463 344 F N 1.012 120.973 119.950 0.017 0.000 2.422 344 F HA 0.311 4.839 4.527 0.001 0.000 0.333 344 F C 0.476 176.277 175.800 0.001 0.000 1.095 344 F CA -0.169 57.818 58.000 -0.021 0.000 1.038 344 F CB 1.321 40.267 39.000 -0.089 0.000 1.156 344 F HN 0.652 nan 8.300 nan 0.000 0.483 345 D N 0.346 120.850 120.400 0.173 0.000 2.616 345 D HA 0.155 4.795 4.640 0.001 0.000 0.260 345 D C 0.869 177.226 176.300 0.095 0.000 1.158 345 D CA -0.589 53.475 54.000 0.107 0.000 1.085 345 D CB 0.226 41.066 40.800 0.067 0.000 1.222 345 D HN 0.550 nan 8.370 nan 0.000 0.626 346 E N -0.013 120.225 120.200 0.063 0.000 2.110 346 E HA -0.225 4.126 4.350 0.001 0.000 0.193 346 E C 1.095 177.721 176.600 0.043 0.000 0.988 346 E CA 1.074 57.501 56.400 0.046 0.000 0.804 346 E CB -0.336 29.384 29.700 0.033 0.000 0.745 346 E HN 0.504 nan 8.360 nan 0.000 0.458 347 E N 1.271 121.501 120.200 0.049 0.000 2.150 347 E HA -0.131 4.219 4.350 0.001 0.000 0.193 347 E C 1.711 178.346 176.600 0.057 0.000 0.985 347 E CA 0.919 57.346 56.400 0.046 0.000 0.814 347 E CB -0.164 29.561 29.700 0.043 0.000 0.752 347 E HN 0.387 nan 8.360 nan 0.000 0.466 348 D N 0.986 121.439 120.400 0.089 0.000 2.144 348 D HA -0.134 4.507 4.640 0.001 0.000 0.199 348 D C 1.769 178.095 176.300 0.043 0.000 0.984 348 D CA 0.880 54.950 54.000 0.116 0.000 0.834 348 D CB -0.067 40.892 40.800 0.266 0.000 0.955 348 D HN 0.357 nan 8.370 nan 0.000 0.465 349 E N 0.387 120.603 120.200 0.028 0.000 2.072 349 E HA -0.084 4.267 4.350 0.001 0.000 0.190 349 E C 2.181 178.774 176.600 -0.012 0.000 0.982 349 E CA 0.181 56.570 56.400 -0.018 0.000 0.803 349 E CB 0.092 29.785 29.700 -0.012 0.000 0.755 349 E HN 0.097 nan 8.360 nan 0.000 0.453 350 R N 0.801 121.305 120.500 0.006 0.000 2.091 350 R HA -0.164 4.176 4.340 0.001 0.000 0.238 350 R C 2.525 178.828 176.300 0.004 0.000 1.136 350 R CA 1.666 57.769 56.100 0.006 0.000 0.959 350 R CB -0.283 30.025 30.300 0.014 0.000 0.856 350 R HN 0.008 nan 8.270 nan 0.000 0.437 351 S N -0.412 115.294 115.700 0.011 0.000 2.359 351 S HA -0.157 4.314 4.470 0.001 0.000 0.224 351 S C 1.944 176.543 174.600 -0.001 0.000 1.035 351 S CA 1.353 59.560 58.200 0.012 0.000 1.018 351 S CB -0.275 62.941 63.200 0.026 0.000 0.876 351 S HN 0.545 nan 8.310 nan 0.000 0.448 352 A N 0.777 123.586 122.820 -0.019 0.000 1.972 352 A HA 0.121 4.442 4.320 0.001 0.000 0.219 352 A C 2.083 179.648 177.584 -0.032 0.000 1.169 352 A CA 1.178 53.192 52.037 -0.039 0.000 0.635 352 A CB -0.560 18.390 19.000 -0.083 0.000 0.810 352 A HN 0.588 nan 8.150 nan 0.000 0.446 353 L N -1.336 119.872 121.223 -0.025 0.000 2.492 353 L HA 0.015 4.356 4.340 0.001 0.000 0.223 353 L C 0.904 177.768 176.870 -0.011 0.000 1.132 353 L CA 0.436 55.265 54.840 -0.019 0.000 0.850 353 L CB -0.340 41.709 42.059 -0.016 0.000 0.966 353 L HN 0.534 nan 8.230 nan 0.000 0.454 354 N N 0.247 118.943 118.700 -0.006 0.000 2.725 354 N HA -0.190 4.550 4.740 0.001 0.000 0.251 354 N C -0.234 175.276 175.510 0.000 0.000 1.031 354 N CA 0.675 53.725 53.050 -0.000 0.000 0.720 354 N CB -0.588 37.899 38.487 -0.000 0.000 0.930 354 N HN 0.418 nan 8.380 nan 0.000 0.543 355 A N 0.000 122.820 122.820 0.000 0.000 2.254 355 A HA 0.000 4.321 4.320 0.001 0.000 0.244 355 A CA 0.000 52.038 52.037 0.001 0.000 0.836 355 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 355 A HN 0.000 nan 8.150 nan 0.000 0.486