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 1geu_1_B DATA FIRST_RESID 2 DATA SEQUENCE TKHYDYIAIG GGSGGIASIN RAAMYGQKCA LIEAKELGGT CVNVGCVPKK DATA SEQUENCE VMWHAAQIRE AIHMYGPDYG FDTTINKFNW ETLIASRTAY IDRIHTSYEN DATA SEQUENCE VLGKNNVDVI KGFARFVDAK TLEVNGETIT ADHILIATGG RPSHPDIPGV DATA SEQUENCE EYGIDSDGFF ALPALPERVA VVGAGYIGVE LGGVINGLGA KTHLFEMFDA DATA SEQUENCE PLPSFDPMIS ETLVEVMNAE GPQLHTNAIP KAVVKNTDGS LTLELEDGRS DATA SEQUENCE ETVDCLIWAI GREPANDNIN LEAAGVKTNE KGYIVVDKYQ NTNIEGIYAV DATA SEQUENCE GDNTGAVELT PVAVAAGRRL SERLFNNKPD EHLDYSNIPT VVFSHPPIGT DATA SEQUENCE VGLTEPQARE QYGDDQVKVY KSSFTAMYTA VTTHRQPCRM KLVCVGSEEK DATA SEQUENCE IVGIHGIGFG MDEMLQGFAV ALKMGATKKD FDNTVAIHPT AAEEFVTMR 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.720 174.700 0.033 0.000 1.109 2 T CA 0.000 62.125 62.100 0.042 0.000 1.349 2 T CB 0.000 68.900 68.868 0.053 0.000 0.612 3 K N 1.664 122.087 120.400 0.037 0.000 2.159 3 K HA 0.422 4.743 4.320 0.001 0.000 0.266 3 K C -0.591 175.981 176.600 -0.048 0.000 0.975 3 K CA -0.894 55.366 56.287 -0.045 0.000 0.865 3 K CB 1.158 33.617 32.500 -0.068 0.000 1.087 3 K HN 0.611 nan 8.250 nan 0.000 0.446 4 H N 2.879 121.812 119.070 -0.228 0.000 2.472 4 H HA 0.271 4.828 4.556 0.001 0.000 0.338 4 H C -1.263 173.861 175.328 -0.341 0.000 1.133 4 H CA -0.394 55.565 56.048 -0.150 0.000 1.216 4 H CB 0.794 30.515 29.762 -0.068 0.000 1.497 4 H HN 0.493 nan 8.280 nan 0.000 0.500 5 Y N 1.865 121.897 120.300 -0.447 0.000 2.598 5 Y HA 0.107 4.657 4.550 0.001 0.000 0.340 5 Y C 1.323 177.063 175.900 -0.267 0.000 1.038 5 Y CA -0.762 57.198 58.100 -0.235 0.000 1.100 5 Y CB 1.450 39.834 38.460 -0.126 0.000 1.281 5 Y HN 0.612 nan 8.280 nan 0.000 0.488 6 D N 0.062 120.526 120.400 0.105 0.000 2.194 6 D HA -0.128 4.512 4.640 0.001 0.000 0.204 6 D C -0.658 175.820 176.300 0.297 0.000 0.964 6 D CA 1.824 55.909 54.000 0.142 0.000 0.846 6 D CB 0.388 41.212 40.800 0.041 0.000 0.962 6 D HN 0.266 nan 8.370 nan 0.000 0.490 7 Y N 0.066 120.420 120.300 0.090 0.000 2.442 7 Y HA 0.427 4.977 4.550 0.001 0.000 0.330 7 Y C -1.653 174.268 175.900 0.035 0.000 1.100 7 Y CA -1.341 56.839 58.100 0.134 0.000 1.034 7 Y CB 0.878 39.346 38.460 0.014 0.000 1.285 7 Y HN -0.298 nan 8.280 nan 0.000 0.440 8 I N 4.503 125.089 120.570 0.026 0.000 2.582 8 I HA 0.763 4.934 4.170 0.001 0.000 0.292 8 I C -0.741 175.182 176.117 -0.324 0.000 1.066 8 I CA -1.058 60.107 61.300 -0.225 0.000 1.053 8 I CB 2.117 40.026 38.000 -0.151 0.000 1.241 8 I HN 0.762 nan 8.210 nan 0.000 0.421 9 A N 7.109 129.706 122.820 -0.371 0.000 2.318 9 A HA 0.769 5.089 4.320 0.001 0.000 0.324 9 A C -0.663 176.794 177.584 -0.212 0.000 1.170 9 A CA -0.480 51.381 52.037 -0.294 0.000 0.810 9 A CB 0.694 19.502 19.000 -0.319 0.000 1.198 9 A HN 0.658 nan 8.150 nan 0.000 0.484 10 I N 2.335 122.806 120.570 -0.165 0.000 2.297 10 I HA 0.529 4.700 4.170 0.001 0.000 0.291 10 I C 0.736 176.766 176.117 -0.144 0.000 1.033 10 I CA 0.362 61.543 61.300 -0.198 0.000 1.253 10 I CB 1.038 38.888 38.000 -0.249 0.000 1.396 10 I HN 0.964 nan 8.210 nan 0.000 0.476 11 G N 3.665 112.383 108.800 -0.137 0.000 3.393 11 G HA2 0.004 3.964 3.960 0.001 0.000 0.676 11 G HA3 0.004 3.964 3.960 0.001 0.000 0.676 11 G C -0.012 174.844 174.900 -0.074 0.000 1.224 11 G CA -0.563 44.486 45.100 -0.086 0.000 1.109 11 G HN 0.924 nan 8.290 nan 0.000 0.519 12 G N 0.685 109.451 108.800 -0.057 0.000 3.782 12 G HA2 0.635 4.596 3.960 0.001 0.000 0.288 12 G HA3 0.635 4.596 3.960 0.001 0.000 0.288 12 G C 0.887 175.787 174.900 -0.001 0.000 1.300 12 G CA 0.909 45.983 45.100 -0.044 0.000 1.261 12 G HN 1.183 nan 8.290 nan 0.000 0.591 13 G N -0.091 108.711 108.800 0.002 0.000 2.641 13 G HA2 0.361 4.321 3.960 0.001 0.000 0.239 13 G HA3 0.361 4.321 3.960 0.001 0.000 0.239 13 G C 1.238 176.151 174.900 0.021 0.000 1.402 13 G CA 0.299 45.417 45.100 0.032 0.000 1.046 13 G HN 0.150 nan 8.290 nan 0.000 0.565 14 S N -0.344 115.375 115.700 0.032 0.000 2.383 14 S HA -0.116 4.355 4.470 0.001 0.000 0.229 14 S C 2.357 176.955 174.600 -0.003 0.000 1.030 14 S CA 1.647 59.858 58.200 0.018 0.000 1.002 14 S CB -0.487 62.731 63.200 0.030 0.000 0.829 14 S HN 0.753 nan 8.310 nan 0.000 0.467 15 G N 1.200 110.005 108.800 0.009 0.000 2.425 15 G HA2 0.094 4.054 3.960 0.001 0.000 0.213 15 G HA3 0.094 4.054 3.960 0.001 0.000 0.213 15 G C 1.492 176.389 174.900 -0.005 0.000 1.201 15 G CA 0.674 45.784 45.100 0.016 0.000 0.799 15 G HN 0.539 nan 8.290 nan 0.000 0.534 16 G N 1.104 109.890 108.800 -0.024 0.000 2.476 16 G HA2 -0.234 3.726 3.960 0.001 0.000 0.218 16 G HA3 -0.234 3.726 3.960 0.001 0.000 0.218 16 G C 1.782 176.624 174.900 -0.097 0.000 1.164 16 G CA 1.004 46.063 45.100 -0.068 0.000 0.768 16 G HN 0.427 nan 8.290 nan 0.000 0.560 17 I N 1.098 121.607 120.570 -0.102 0.000 2.353 17 I HA -0.059 4.111 4.170 0.001 0.000 0.248 17 I C 3.278 179.306 176.117 -0.148 0.000 1.119 17 I CA 0.725 61.931 61.300 -0.157 0.000 1.417 17 I CB -0.210 37.645 38.000 -0.242 0.000 1.078 17 I HN 0.255 nan 8.210 nan 0.000 0.421 18 A N -0.084 122.672 122.820 -0.107 0.000 1.865 18 A HA -0.252 4.068 4.320 0.001 0.000 0.217 18 A C 2.505 180.072 177.584 -0.028 0.000 1.191 18 A CA 2.395 54.388 52.037 -0.074 0.000 0.623 18 A CB -0.887 18.088 19.000 -0.042 0.000 0.826 18 A HN 0.365 nan 8.150 nan 0.000 0.444 19 S N -1.019 114.690 115.700 0.015 0.000 2.368 19 S HA -0.113 4.358 4.470 0.001 0.000 0.224 19 S C 1.881 176.564 174.600 0.139 0.000 1.029 19 S CA 1.347 59.616 58.200 0.115 0.000 0.988 19 S CB -0.422 62.879 63.200 0.168 0.000 0.838 19 S HN 0.390 nan 8.310 nan 0.000 0.462 20 I N 2.653 123.211 120.570 -0.020 0.000 2.226 20 I HA -0.117 4.054 4.170 0.001 0.000 0.245 20 I C 1.941 178.039 176.117 -0.032 0.000 1.100 20 I CA 1.238 62.499 61.300 -0.065 0.000 1.374 20 I CB -0.377 37.514 38.000 -0.182 0.000 1.057 20 I HN 0.278 nan 8.210 nan 0.000 0.413 21 N N 0.002 118.660 118.700 -0.070 0.000 2.270 21 N HA -0.169 4.571 4.740 0.001 0.000 0.181 21 N C 1.985 177.430 175.510 -0.107 0.000 1.016 21 N CA 0.650 53.642 53.050 -0.096 0.000 0.870 21 N CB -0.280 38.132 38.487 -0.126 0.000 0.979 21 N HN 0.188 nan 8.380 nan 0.000 0.431 22 R N 1.503 121.962 120.500 -0.068 0.000 2.073 22 R HA 0.132 4.473 4.340 0.001 0.000 0.229 22 R C 1.882 178.117 176.300 -0.110 0.000 1.120 22 R CA 1.388 57.419 56.100 -0.115 0.000 0.967 22 R CB -0.886 29.419 30.300 0.008 0.000 0.862 22 R HN 0.145 nan 8.270 nan 0.000 0.436 23 A N 0.339 123.219 122.820 0.100 0.000 1.873 23 A HA 0.013 4.333 4.320 0.001 0.000 0.215 23 A C 2.374 179.931 177.584 -0.044 0.000 1.186 23 A CA 1.770 53.888 52.037 0.135 0.000 0.616 23 A CB -1.148 17.983 19.000 0.219 0.000 0.823 23 A HN 0.429 nan 8.150 nan 0.000 0.442 24 A N -0.692 122.093 122.820 -0.058 0.000 1.917 24 A HA -0.245 4.075 4.320 0.001 0.000 0.219 24 A C 2.272 179.790 177.584 -0.110 0.000 1.182 24 A CA 2.066 54.057 52.037 -0.077 0.000 0.633 24 A CB -0.580 18.377 19.000 -0.071 0.000 0.819 24 A HN 0.566 nan 8.150 nan 0.000 0.448 25 M N -1.795 117.676 119.600 -0.216 0.000 2.446 25 M HA -0.120 4.360 4.480 0.001 0.000 0.263 25 M C 0.321 176.426 176.300 -0.325 0.000 1.066 25 M CA 1.232 56.339 55.300 -0.323 0.000 1.087 25 M CB 0.014 32.322 32.600 -0.486 0.000 1.406 25 M HN 0.531 nan 8.290 nan 0.000 0.459 26 Y N -0.630 119.666 120.300 -0.006 0.000 2.658 26 Y HA 0.390 4.940 4.550 0.001 0.000 0.276 26 Y C 1.340 177.224 175.900 -0.027 0.000 1.167 26 Y CA -0.147 57.951 58.100 -0.002 0.000 1.230 26 Y CB -0.323 38.156 38.460 0.031 0.000 1.144 26 Y HN 0.380 nan 8.280 nan 0.000 0.529 27 G N -0.394 108.445 108.800 0.064 0.000 2.141 27 G HA2 -0.227 3.734 3.960 0.001 0.000 0.242 27 G HA3 -0.227 3.734 3.960 0.001 0.000 0.242 27 G C 0.082 174.969 174.900 -0.022 0.000 0.982 27 G CA -0.392 44.723 45.100 0.025 0.000 0.662 27 G HN 0.207 nan 8.290 nan 0.000 0.527 28 Q N -0.076 119.670 119.800 -0.090 0.000 2.288 28 Q HA 0.451 4.791 4.340 0.001 0.000 0.254 28 Q C 0.268 176.232 176.000 -0.059 0.000 0.932 28 Q CA -0.353 55.351 55.803 -0.164 0.000 0.902 28 Q CB 1.641 30.091 28.738 -0.480 0.000 1.203 28 Q HN 0.277 nan 8.270 nan 0.000 0.415 29 K N 1.951 122.352 120.400 0.002 0.000 2.316 29 K HA 0.228 4.548 4.320 0.001 0.000 0.289 29 K C -1.297 175.414 176.600 0.184 0.000 1.070 29 K CA -0.035 56.301 56.287 0.083 0.000 0.928 29 K CB 0.107 32.648 32.500 0.068 0.000 1.039 29 K HN 0.600 nan 8.250 nan 0.000 0.480 30 C N 3.058 122.451 119.300 0.155 0.000 2.707 30 C HA 0.908 5.369 4.460 0.001 0.000 0.313 30 C C -0.432 174.446 174.990 -0.188 0.000 1.209 30 C CA -1.017 58.020 59.018 0.032 0.000 1.635 30 C CB 1.234 28.948 27.740 -0.043 0.000 2.206 30 C HN 0.880 nan 8.230 nan 0.000 0.485 31 A N 1.723 124.209 122.820 -0.558 0.000 2.365 31 A HA 0.886 5.207 4.320 0.001 0.000 0.318 31 A C -1.321 176.009 177.584 -0.424 0.000 1.091 31 A CA -0.421 51.194 52.037 -0.704 0.000 0.763 31 A CB 1.077 19.306 19.000 -1.285 0.000 1.248 31 A HN 1.016 nan 8.150 nan 0.000 0.442 32 L N 2.872 123.912 121.223 -0.306 0.000 2.385 32 L HA 0.753 5.093 4.340 0.001 0.000 0.273 32 L C -1.510 175.236 176.870 -0.207 0.000 0.990 32 L CA -0.622 54.074 54.840 -0.241 0.000 0.821 32 L CB 1.297 43.245 42.059 -0.186 0.000 1.279 32 L HN 0.640 nan 8.230 nan 0.000 0.412 33 I N 4.039 124.491 120.570 -0.198 0.000 2.362 33 I HA 0.450 4.621 4.170 0.001 0.000 0.289 33 I C -0.786 175.249 176.117 -0.138 0.000 0.994 33 I CA -0.505 60.694 61.300 -0.169 0.000 1.158 33 I CB 1.759 39.640 38.000 -0.199 0.000 1.315 33 I HN 0.536 nan 8.210 nan 0.000 0.451 34 E N 4.820 124.961 120.200 -0.098 0.000 2.224 34 E HA 0.571 4.921 4.350 0.001 0.000 0.265 34 E C -0.014 176.567 176.600 -0.032 0.000 0.878 34 E CA -0.558 55.802 56.400 -0.067 0.000 0.759 34 E CB 2.059 31.723 29.700 -0.059 0.000 1.164 34 E HN 0.643 nan 8.360 nan 0.000 0.414 35 A N 4.635 127.459 122.820 0.007 0.000 2.119 35 A HA 0.088 4.408 4.320 0.001 0.000 0.216 35 A C 0.795 178.411 177.584 0.054 0.000 1.152 35 A CA 1.068 53.151 52.037 0.078 0.000 0.708 35 A CB 0.025 19.162 19.000 0.228 0.000 0.805 35 A HN 0.561 nan 8.150 nan 0.000 0.460 36 K N -1.469 118.944 120.400 0.022 0.000 2.367 36 K HA 0.322 4.643 4.320 0.001 0.000 0.314 36 K C -0.895 175.681 176.600 -0.040 0.000 0.977 36 K CA -0.731 55.561 56.287 0.007 0.000 0.829 36 K CB 0.244 32.763 32.500 0.031 0.000 3.516 36 K HN 0.013 nan 8.250 nan 0.000 1.221 37 E N 1.920 122.088 120.200 -0.054 0.000 2.214 37 E HA 0.326 4.676 4.350 0.001 0.000 0.274 37 E C -0.393 176.140 176.600 -0.113 0.000 0.977 37 E CA -0.439 55.865 56.400 -0.160 0.000 0.827 37 E CB 1.134 30.730 29.700 -0.173 0.000 1.130 37 E HN 0.284 nan 8.360 nan 0.000 0.394 38 L N 0.861 121.975 121.223 -0.181 0.000 2.456 38 L HA 0.207 4.548 4.340 0.001 0.000 0.272 38 L C 1.417 178.350 176.870 0.104 0.000 1.189 38 L CA 0.928 55.757 54.840 -0.018 0.000 0.846 38 L CB 0.163 42.241 42.059 0.033 0.000 1.111 38 L HN 0.935 nan 8.230 nan 0.000 0.475 39 G N 1.332 110.253 108.800 0.201 0.000 2.213 39 G HA2 -0.099 3.861 3.960 0.001 0.000 0.226 39 G HA3 -0.099 3.861 3.960 0.001 0.000 0.226 39 G C 0.678 175.651 174.900 0.120 0.000 0.992 39 G CA -0.064 45.178 45.100 0.236 0.000 0.632 39 G HN 1.367 nan 8.290 nan 0.000 0.511 40 G N -0.616 108.229 108.800 0.075 0.000 2.581 40 G HA2 -0.163 3.798 3.960 0.001 0.000 0.291 40 G HA3 -0.163 3.798 3.960 0.001 0.000 0.291 40 G C 1.119 176.044 174.900 0.041 0.000 1.277 40 G CA 1.639 46.770 45.100 0.051 0.000 0.959 40 G HN 1.308 nan 8.290 nan 0.000 0.554 41 T N -0.151 114.426 114.554 0.038 0.000 2.701 41 T HA -0.174 4.177 4.350 0.001 0.000 0.263 41 T C 2.507 177.204 174.700 -0.005 0.000 1.040 41 T CA 2.689 64.804 62.100 0.025 0.000 1.147 41 T CB -0.823 68.071 68.868 0.044 0.000 0.865 41 T HN 1.172 nan 8.240 nan 0.000 0.426 42 C N 1.450 120.756 119.300 0.009 0.000 2.349 42 C HA -0.143 4.317 4.460 0.001 0.000 0.274 42 C C 2.673 177.635 174.990 -0.047 0.000 1.178 42 C CA 1.252 60.267 59.018 -0.004 0.000 1.769 42 C CB -1.273 26.484 27.740 0.029 0.000 2.047 42 C HN 0.392 nan 8.230 nan 0.000 0.448 43 V N 1.554 121.444 119.914 -0.039 0.000 2.649 43 V HA -0.067 4.053 4.120 0.001 0.000 0.248 43 V C 2.306 178.316 176.094 -0.141 0.000 1.054 43 V CA 2.196 64.433 62.300 -0.104 0.000 1.073 43 V CB -0.635 31.123 31.823 -0.109 0.000 0.699 43 V HN 0.612 nan 8.190 nan 0.000 0.463 44 N N 0.530 119.171 118.700 -0.098 0.000 2.420 44 N HA 0.012 4.753 4.740 0.001 0.000 0.185 44 N C 1.176 176.541 175.510 -0.242 0.000 1.033 44 N CA 1.638 54.625 53.050 -0.106 0.000 0.879 44 N CB 0.642 39.136 38.487 0.011 0.000 1.071 44 N HN 0.500 nan 8.380 nan 0.000 0.437 45 V N -2.334 117.439 119.914 -0.235 0.000 2.909 45 V HA 0.698 4.819 4.120 0.001 0.000 0.362 45 V C 0.543 176.419 176.094 -0.363 0.000 1.356 45 V CA -0.317 61.757 62.300 -0.377 0.000 1.195 45 V CB 0.454 32.290 31.823 0.022 0.000 1.256 45 V HN 0.212 nan 8.190 nan 0.000 0.567 46 G N -0.792 107.803 108.800 -0.341 0.000 3.321 46 G HA2 0.211 4.171 3.960 0.001 0.000 0.169 46 G HA3 0.211 4.171 3.960 0.001 0.000 0.169 46 G C 0.795 175.639 174.900 -0.094 0.000 1.153 46 G CA 0.602 45.641 45.100 -0.101 0.000 1.007 46 G HN 0.145 nan 8.290 nan 0.000 0.668 47 C N -0.100 119.178 119.300 -0.038 0.000 2.294 47 C HA -0.161 4.299 4.460 0.001 0.000 0.265 47 C C 2.893 177.839 174.990 -0.074 0.000 1.115 47 C CA 1.347 60.340 59.018 -0.041 0.000 1.809 47 C CB -1.460 26.268 27.740 -0.020 0.000 2.010 47 C HN 0.297 nan 8.230 nan 0.000 0.425 48 V N 2.217 122.085 119.914 -0.077 0.000 2.283 48 V HA -0.091 4.030 4.120 0.001 0.000 0.243 48 V C 0.109 176.193 176.094 -0.017 0.000 1.039 48 V CA 2.491 64.772 62.300 -0.031 0.000 1.016 48 V CB -1.765 30.029 31.823 -0.047 0.000 0.650 48 V HN 0.424 nan 8.190 nan 0.000 0.449 49 P HA -0.181 nan 4.420 nan 0.000 0.217 49 P C 1.613 179.058 177.300 0.242 0.000 1.151 49 P CA 1.378 64.463 63.100 -0.026 0.000 0.828 49 P CB -0.110 31.348 31.700 -0.403 0.000 0.788 50 K N 1.481 122.023 120.400 0.237 0.000 2.063 50 K HA -0.188 4.133 4.320 0.001 0.000 0.208 50 K C 2.050 178.737 176.600 0.145 0.000 1.048 50 K CA 1.861 58.361 56.287 0.354 0.000 0.928 50 K CB -0.508 32.150 32.500 0.264 0.000 0.713 50 K HN -0.043 nan 8.250 nan 0.000 0.442 51 K N 0.357 120.732 120.400 -0.042 0.000 2.217 51 K HA 0.005 4.325 4.320 0.001 0.000 0.202 51 K C 1.895 178.506 176.600 0.019 0.000 1.051 51 K CA 0.701 56.873 56.287 -0.193 0.000 0.952 51 K CB 0.127 32.381 32.500 -0.410 0.000 0.736 51 K HN -0.022 nan 8.250 nan 0.000 0.453 52 V N 0.807 120.799 119.914 0.130 0.000 2.358 52 V HA -0.224 3.897 4.120 0.001 0.000 0.246 52 V C 2.241 178.461 176.094 0.211 0.000 1.047 52 V CA 1.396 63.808 62.300 0.188 0.000 1.035 52 V CB -0.429 31.468 31.823 0.123 0.000 0.658 52 V HN 0.345 nan 8.190 nan 0.000 0.452 53 M N -1.321 118.431 119.600 0.253 0.000 2.149 53 M HA -0.192 4.288 4.480 0.001 0.000 0.261 53 M C 1.961 178.443 176.300 0.303 0.000 1.064 53 M CA 1.525 57.003 55.300 0.298 0.000 1.102 53 M CB -1.340 31.518 32.600 0.430 0.000 1.369 53 M HN 0.633 nan 8.290 nan 0.000 0.408 54 W N 0.770 122.109 121.300 0.064 0.000 2.381 54 W HA -0.169 4.491 4.660 -0.000 0.000 0.301 54 W C 2.264 178.783 176.519 -0.000 0.000 1.205 54 W CA 1.863 59.221 57.345 0.020 0.000 1.285 54 W CB -0.636 28.747 29.460 -0.129 0.000 1.133 54 W HN 0.388 nan 8.180 nan 0.000 0.521 55 H N -0.805 118.378 119.070 0.188 0.000 2.423 55 H HA -0.036 4.521 4.556 0.000 0.000 0.297 55 H C 2.307 177.603 175.328 -0.053 0.000 1.075 55 H CA 1.562 57.597 56.048 -0.023 0.000 1.342 55 H CB -0.374 29.410 29.762 0.037 0.000 1.395 55 H HN 0.188 nan 8.280 nan 0.000 0.530 56 A N 0.941 123.842 122.820 0.135 0.000 1.930 56 A HA -0.099 4.222 4.320 0.001 0.000 0.217 56 A C 2.496 180.086 177.584 0.009 0.000 1.175 56 A CA 1.333 53.417 52.037 0.080 0.000 0.627 56 A CB -0.886 18.202 19.000 0.146 0.000 0.815 56 A HN 0.466 nan 8.150 nan 0.000 0.443 57 A N -1.080 121.761 122.820 0.036 0.000 1.930 57 A HA -0.156 4.165 4.320 0.001 0.000 0.217 57 A C 2.100 179.678 177.584 -0.010 0.000 1.175 57 A CA 1.587 53.640 52.037 0.027 0.000 0.627 57 A CB -0.421 18.657 19.000 0.130 0.000 0.815 57 A HN 0.477 nan 8.150 nan 0.000 0.443 58 Q N -0.273 119.449 119.800 -0.130 0.000 2.124 58 Q HA -0.078 4.263 4.340 0.001 0.000 0.202 58 Q C 2.087 178.076 176.000 -0.017 0.000 0.977 58 Q CA 1.257 56.973 55.803 -0.144 0.000 0.850 58 Q CB -0.449 28.088 28.738 -0.335 0.000 0.901 58 Q HN 0.776 nan 8.270 nan 0.000 0.429 59 I N 0.232 120.781 120.570 -0.036 0.000 2.252 59 I HA -0.254 3.917 4.170 0.001 0.000 0.245 59 I C 2.730 178.827 176.117 -0.033 0.000 1.102 59 I CA 0.932 62.214 61.300 -0.030 0.000 1.385 59 I CB -0.218 37.755 38.000 -0.046 0.000 1.064 59 I HN 0.146 nan 8.210 nan 0.000 0.414 60 R N 1.022 121.475 120.500 -0.079 0.000 2.081 60 R HA -0.205 4.136 4.340 0.001 0.000 0.235 60 R C 2.116 178.408 176.300 -0.014 0.000 1.131 60 R CA 1.752 57.786 56.100 -0.109 0.000 0.960 60 R CB -0.097 30.072 30.300 -0.217 0.000 0.856 60 R HN 0.393 nan 8.270 nan 0.000 0.436 61 E N -0.165 120.052 120.200 0.028 0.000 2.110 61 E HA -0.185 4.166 4.350 0.001 0.000 0.193 61 E C 1.910 178.582 176.600 0.120 0.000 0.988 61 E CA 1.202 57.627 56.400 0.043 0.000 0.804 61 E CB -0.105 29.688 29.700 0.156 0.000 0.745 61 E HN 0.431 nan 8.360 nan 0.000 0.458 62 A N 1.201 124.157 122.820 0.227 0.000 1.858 62 A HA -0.205 4.116 4.320 0.001 0.000 0.216 62 A C 2.213 179.869 177.584 0.120 0.000 1.190 62 A CA 1.308 53.493 52.037 0.247 0.000 0.617 62 A CB -0.678 18.406 19.000 0.139 0.000 0.827 62 A HN 0.147 nan 8.150 nan 0.000 0.443 63 I N -1.653 118.952 120.570 0.058 0.000 2.179 63 I HA -0.264 3.906 4.170 0.001 0.000 0.242 63 I C 2.630 178.800 176.117 0.089 0.000 1.088 63 I CA 1.888 63.218 61.300 0.049 0.000 1.357 63 I CB -0.340 37.671 38.000 0.018 0.000 1.051 63 I HN 0.569 nan 8.210 nan 0.000 0.409 64 H N -0.318 118.723 119.070 -0.049 0.000 2.553 64 H HA 0.064 4.621 4.556 0.001 0.000 0.276 64 H C 1.976 177.219 175.328 -0.142 0.000 0.979 64 H CA 0.811 56.813 56.048 -0.077 0.000 1.268 64 H CB 0.650 30.354 29.762 -0.098 0.000 1.450 64 H HN 0.279 nan 8.280 nan 0.000 0.527 65 M N -0.658 118.778 119.600 -0.273 0.000 2.755 65 M HA -0.007 4.473 4.480 0.001 0.000 0.247 65 M C 1.260 177.311 176.300 -0.415 0.000 1.275 65 M CA 0.788 55.728 55.300 -0.600 0.000 1.252 65 M CB 0.044 32.110 32.600 -0.890 0.000 1.215 65 M HN 0.030 nan 8.290 nan 0.000 0.527 66 Y N 0.121 120.413 120.300 -0.013 0.000 2.365 66 Y HA 0.247 4.798 4.550 0.001 0.000 0.293 66 Y C 2.420 178.443 175.900 0.204 0.000 1.119 66 Y CA 1.047 59.188 58.100 0.068 0.000 1.203 66 Y CB -1.440 36.949 38.460 -0.117 0.000 1.026 66 Y HN 0.376 nan 8.280 nan 0.000 0.549 67 G N 1.039 110.020 108.800 0.302 0.000 2.469 67 G HA2 -0.241 3.720 3.960 0.001 0.000 0.219 67 G HA3 -0.241 3.720 3.960 0.001 0.000 0.219 67 G C -0.592 174.518 174.900 0.351 0.000 1.150 67 G CA 0.963 46.297 45.100 0.391 0.000 0.763 67 G HN 0.278 nan 8.290 nan 0.000 0.561 68 P HA -0.124 nan 4.420 nan 0.000 0.214 68 P C 1.332 178.671 177.300 0.064 0.000 1.172 68 P CA 1.706 64.864 63.100 0.096 0.000 0.925 68 P CB -0.052 31.672 31.700 0.041 0.000 0.793 69 D N -2.548 117.896 120.400 0.073 0.000 2.310 69 D HA -0.128 4.513 4.640 0.001 0.000 0.212 69 D C 1.452 177.691 176.300 -0.102 0.000 0.965 69 D CA 1.064 55.047 54.000 -0.028 0.000 0.879 69 D CB -0.471 40.303 40.800 -0.044 0.000 0.921 69 D HN 0.338 nan 8.370 nan 0.000 0.510 70 Y N 0.046 120.330 120.300 -0.027 0.000 2.490 70 Y HA 0.221 4.772 4.550 0.002 0.000 0.281 70 Y C 1.897 177.582 175.900 -0.358 0.000 1.174 70 Y CA 0.478 58.518 58.100 -0.100 0.000 1.295 70 Y CB 0.594 39.102 38.460 0.079 0.000 1.062 70 Y HN 0.063 nan 8.280 nan 0.000 0.522 71 G N -0.937 107.744 108.800 -0.197 0.000 2.179 71 G HA2 -0.254 3.707 3.960 0.001 0.000 0.220 71 G HA3 -0.254 3.707 3.960 0.001 0.000 0.220 71 G C -0.196 174.460 174.900 -0.405 0.000 0.990 71 G CA -0.569 44.344 45.100 -0.313 0.000 0.646 71 G HN 0.135 nan 8.290 nan 0.000 0.517 72 F N 1.752 121.748 119.950 0.075 0.000 2.411 72 F HA 0.571 5.098 4.527 0.001 0.000 0.355 72 F C 0.314 176.135 175.800 0.035 0.000 1.117 72 F CA -1.336 56.694 58.000 0.050 0.000 1.139 72 F CB 1.471 40.501 39.000 0.049 0.000 1.120 72 F HN 0.019 nan 8.300 nan 0.000 0.493 73 D N 2.719 123.217 120.400 0.164 0.000 2.329 73 D HA 0.392 5.033 4.640 0.001 0.000 0.232 73 D C -0.618 175.751 176.300 0.116 0.000 1.088 73 D CA -0.241 53.822 54.000 0.105 0.000 0.835 73 D CB 0.965 41.799 40.800 0.057 0.000 1.078 73 D HN 0.567 nan 8.370 nan 0.000 0.495 74 T N 0.194 114.809 114.554 0.101 0.000 2.900 74 T HA 0.672 5.022 4.350 0.001 0.000 0.295 74 T C -0.242 174.498 174.700 0.067 0.000 1.044 74 T CA -0.844 61.307 62.100 0.084 0.000 0.995 74 T CB 1.615 70.530 68.868 0.079 0.000 1.072 74 T HN 0.176 nan 8.240 nan 0.000 0.473 75 T N 2.346 116.933 114.554 0.055 0.000 2.823 75 T HA 0.535 4.886 4.350 0.001 0.000 0.279 75 T C 0.066 174.795 174.700 0.048 0.000 0.998 75 T CA -0.689 61.443 62.100 0.053 0.000 0.994 75 T CB 0.703 69.597 68.868 0.044 0.000 0.960 75 T HN 0.610 nan 8.240 nan 0.000 0.448 76 I N 3.799 124.399 120.570 0.049 0.000 2.291 76 I HA 0.174 4.345 4.170 0.001 0.000 0.292 76 I C 1.019 177.166 176.117 0.050 0.000 1.064 76 I CA -0.401 60.924 61.300 0.042 0.000 1.269 76 I CB 0.452 38.465 38.000 0.023 0.000 1.418 76 I HN 0.725 nan 8.210 nan 0.000 0.485 77 N N 4.793 123.523 118.700 0.050 0.000 2.188 77 N HA -0.098 4.643 4.740 0.001 0.000 0.184 77 N C 0.450 175.995 175.510 0.059 0.000 1.018 77 N CA 1.035 54.114 53.050 0.047 0.000 0.858 77 N CB 0.165 38.676 38.487 0.040 0.000 0.989 77 N HN 0.516 nan 8.380 nan 0.000 0.426 78 K N -0.390 120.060 120.400 0.083 0.000 2.557 78 K HA 0.187 4.507 4.320 0.001 0.000 0.261 78 K C -2.074 174.645 176.600 0.199 0.000 0.932 78 K CA -0.624 55.728 56.287 0.108 0.000 0.829 78 K CB 1.123 33.666 32.500 0.072 0.000 1.358 78 K HN -0.153 nan 8.250 nan 0.000 0.430 79 F N 4.551 124.518 119.950 0.028 0.000 2.332 79 F HA 0.404 4.932 4.527 0.002 0.000 0.368 79 F C -0.744 175.104 175.800 0.079 0.000 1.110 79 F CA -1.401 56.629 58.000 0.050 0.000 1.087 79 F CB 0.727 39.758 39.000 0.051 0.000 1.235 79 F HN 0.477 nan 8.300 nan 0.000 0.470 80 N N 7.114 125.790 118.700 -0.039 0.000 2.521 80 N HA -0.031 4.709 4.740 0.001 0.000 0.236 80 N C 1.102 176.418 175.510 -0.322 0.000 1.067 80 N CA -0.214 52.744 53.050 -0.154 0.000 0.939 80 N CB 0.090 38.565 38.487 -0.021 0.000 1.201 80 N HN 0.938 nan 8.380 nan 0.000 0.511 81 W N 3.808 124.702 121.300 -0.675 0.000 2.335 81 W HA -0.191 4.470 4.660 0.000 0.000 0.311 81 W C 1.520 177.873 176.519 -0.277 0.000 1.213 81 W CA 1.134 58.127 57.345 -0.585 0.000 1.274 81 W CB 0.234 29.428 29.460 -0.444 0.000 1.148 81 W HN 0.588 nan 8.180 nan 0.000 0.498 82 E N 0.072 120.262 120.200 -0.017 0.000 2.130 82 E HA -0.208 4.143 4.350 0.001 0.000 0.196 82 E C 1.806 178.344 176.600 -0.104 0.000 0.998 82 E CA 2.340 58.705 56.400 -0.058 0.000 0.806 82 E CB -0.595 29.101 29.700 -0.007 0.000 0.738 82 E HN 0.140 nan 8.360 nan 0.000 0.459 83 T N 1.617 116.117 114.554 -0.089 0.000 2.857 83 T HA -0.105 4.245 4.350 0.001 0.000 0.266 83 T C 1.813 176.460 174.700 -0.088 0.000 1.048 83 T CA 1.000 63.062 62.100 -0.064 0.000 1.139 83 T CB -0.249 68.605 68.868 -0.023 0.000 0.874 83 T HN 0.115 nan 8.240 nan 0.000 0.455 84 L N 1.485 122.628 121.223 -0.133 0.000 2.017 84 L HA -0.024 4.317 4.340 0.001 0.000 0.208 84 L C 1.999 178.736 176.870 -0.221 0.000 1.073 84 L CA 1.643 56.399 54.840 -0.141 0.000 0.745 84 L CB -0.756 41.211 42.059 -0.153 0.000 0.894 84 L HN 0.135 nan 8.230 nan 0.000 0.432 85 I N 0.130 120.482 120.570 -0.364 0.000 2.226 85 I HA -0.208 3.963 4.170 0.001 0.000 0.245 85 I C 2.700 178.723 176.117 -0.157 0.000 1.100 85 I CA 1.383 62.492 61.300 -0.319 0.000 1.374 85 I CB -2.099 35.649 38.000 -0.421 0.000 1.057 85 I HN 0.358 nan 8.210 nan 0.000 0.413 86 A N 0.468 123.217 122.820 -0.118 0.000 1.877 86 A HA -0.170 4.151 4.320 0.001 0.000 0.216 86 A C 2.601 180.156 177.584 -0.048 0.000 1.186 86 A CA 2.113 54.110 52.037 -0.066 0.000 0.620 86 A CB -0.826 18.144 19.000 -0.050 0.000 0.822 86 A HN 0.412 nan 8.150 nan 0.000 0.443 87 S N -0.926 114.745 115.700 -0.049 0.000 2.368 87 S HA -0.165 4.306 4.470 0.001 0.000 0.225 87 S C 2.096 176.690 174.600 -0.011 0.000 1.030 87 S CA 1.373 59.555 58.200 -0.031 0.000 0.999 87 S CB -0.327 62.847 63.200 -0.043 0.000 0.844 87 S HN 0.624 nan 8.310 nan 0.000 0.459 88 R N 0.728 121.212 120.500 -0.026 0.000 2.070 88 R HA -0.099 4.242 4.340 0.001 0.000 0.233 88 R C 2.225 178.541 176.300 0.026 0.000 1.137 88 R CA 1.872 57.980 56.100 0.015 0.000 0.945 88 R CB -0.680 29.609 30.300 -0.018 0.000 0.845 88 R HN 0.340 nan 8.270 nan 0.000 0.430 89 T N 0.696 115.237 114.554 -0.023 0.000 2.788 89 T HA -0.111 4.240 4.350 0.001 0.000 0.268 89 T C 1.795 176.469 174.700 -0.043 0.000 1.044 89 T CA 1.252 63.327 62.100 -0.042 0.000 1.139 89 T CB -0.259 68.584 68.868 -0.041 0.000 0.867 89 T HN 0.438 nan 8.240 nan 0.000 0.454 90 A N 0.777 123.590 122.820 -0.012 0.000 1.877 90 A HA -0.109 4.212 4.320 0.001 0.000 0.216 90 A C 2.101 179.689 177.584 0.007 0.000 1.186 90 A CA 1.516 53.550 52.037 -0.006 0.000 0.620 90 A CB -1.081 17.925 19.000 0.010 0.000 0.822 90 A HN 0.541 nan 8.150 nan 0.000 0.443 91 Y N 0.593 120.830 120.300 -0.105 0.000 2.165 91 Y HA -0.191 4.359 4.550 0.001 0.000 0.286 91 Y C 1.958 177.748 175.900 -0.183 0.000 1.155 91 Y CA 1.590 59.619 58.100 -0.118 0.000 1.164 91 Y CB -0.281 38.124 38.460 -0.092 0.000 0.978 91 Y HN 0.290 nan 8.280 nan 0.000 0.513 92 I N -0.240 120.159 120.570 -0.285 0.000 2.394 92 I HA -0.266 3.904 4.170 0.001 0.000 0.251 92 I C 1.792 177.494 176.117 -0.692 0.000 1.136 92 I CA 1.353 62.338 61.300 -0.524 0.000 1.425 92 I CB -0.391 37.375 38.000 -0.391 0.000 1.079 92 I HN 0.177 nan 8.210 nan 0.000 0.425 93 D N 0.964 121.112 120.400 -0.420 0.000 2.117 93 D HA -0.130 4.510 4.640 0.001 0.000 0.198 93 D C 2.292 178.473 176.300 -0.197 0.000 0.982 93 D CA 1.073 54.914 54.000 -0.264 0.000 0.828 93 D CB -0.226 40.524 40.800 -0.084 0.000 0.967 93 D HN 0.333 nan 8.370 nan 0.000 0.464 94 R N 0.299 120.681 120.500 -0.197 0.000 2.096 94 R HA -0.019 4.321 4.340 0.001 0.000 0.235 94 R C 2.565 178.718 176.300 -0.246 0.000 1.127 94 R CA 0.578 56.580 56.100 -0.162 0.000 0.968 94 R CB -0.300 29.933 30.300 -0.112 0.000 0.861 94 R HN 0.236 nan 8.270 nan 0.000 0.440 95 I N 0.188 120.496 120.570 -0.436 0.000 2.226 95 I HA -0.287 3.884 4.170 0.001 0.000 0.245 95 I C 2.252 178.096 176.117 -0.456 0.000 1.100 95 I CA 1.249 62.232 61.300 -0.529 0.000 1.374 95 I CB -0.360 37.207 38.000 -0.722 0.000 1.057 95 I HN 0.188 nan 8.210 nan 0.000 0.413 96 H N 0.321 119.176 119.070 -0.359 0.000 2.319 96 H HA -0.157 4.399 4.556 0.001 0.000 0.297 96 H C 2.452 177.710 175.328 -0.117 0.000 1.097 96 H CA 1.958 57.867 56.048 -0.233 0.000 1.285 96 H CB -1.020 28.657 29.762 -0.141 0.000 1.368 96 H HN 0.269 nan 8.280 nan 0.000 0.495 97 T N 0.496 115.065 114.554 0.025 0.000 2.684 97 T HA -0.156 4.194 4.350 0.001 0.000 0.267 97 T C 2.396 177.118 174.700 0.036 0.000 1.036 97 T CA 1.775 63.887 62.100 0.021 0.000 1.148 97 T CB -0.300 68.566 68.868 -0.003 0.000 0.863 97 T HN 0.329 nan 8.240 nan 0.000 0.436 98 S N 0.247 115.955 115.700 0.014 0.000 2.374 98 S HA -0.123 4.348 4.470 0.001 0.000 0.227 98 S C 1.812 176.547 174.600 0.225 0.000 1.037 98 S CA 1.109 59.356 58.200 0.079 0.000 1.024 98 S CB -0.451 62.779 63.200 0.051 0.000 0.861 98 S HN 0.454 nan 8.310 nan 0.000 0.456 99 Y N 1.621 121.909 120.300 -0.021 0.000 2.163 99 Y HA -0.007 4.543 4.550 0.001 0.000 0.288 99 Y C 2.463 178.347 175.900 -0.027 0.000 1.136 99 Y CA 0.358 58.444 58.100 -0.023 0.000 1.147 99 Y CB -1.078 37.373 38.460 -0.015 0.000 0.987 99 Y HN 0.332 nan 8.280 nan 0.000 0.509 100 E N 0.022 120.314 120.200 0.152 0.000 2.160 100 E HA -0.224 4.126 4.350 0.001 0.000 0.195 100 E C 2.152 178.775 176.600 0.038 0.000 0.991 100 E CA 0.994 57.431 56.400 0.062 0.000 0.810 100 E CB -0.208 29.516 29.700 0.040 0.000 0.742 100 E HN 0.467 nan 8.360 nan 0.000 0.466 101 N N 0.138 118.867 118.700 0.049 0.000 2.080 101 N HA -0.150 4.590 4.740 0.001 0.000 0.189 101 N C 1.878 177.397 175.510 0.014 0.000 1.036 101 N CA 1.314 54.381 53.050 0.028 0.000 0.846 101 N CB 0.135 38.641 38.487 0.031 0.000 1.015 101 N HN -0.005 nan 8.380 nan 0.000 0.423 102 V N 1.906 121.830 119.914 0.018 0.000 2.343 102 V HA -0.190 3.930 4.120 0.001 0.000 0.247 102 V C 2.454 178.525 176.094 -0.040 0.000 1.051 102 V CA 1.174 63.463 62.300 -0.018 0.000 1.036 102 V CB -0.457 31.345 31.823 -0.035 0.000 0.654 102 V HN 0.319 nan 8.190 nan 0.000 0.451 103 L N 0.298 121.496 121.223 -0.042 0.000 2.131 103 L HA -0.084 4.257 4.340 0.001 0.000 0.210 103 L C 2.588 179.436 176.870 -0.037 0.000 1.092 103 L CA 1.619 56.426 54.840 -0.055 0.000 0.759 103 L CB -1.065 40.961 42.059 -0.056 0.000 0.903 103 L HN 0.465 nan 8.230 nan 0.000 0.435 104 G N 0.127 108.915 108.800 -0.020 0.000 2.414 104 G HA2 -0.223 3.738 3.960 0.001 0.000 0.215 104 G HA3 -0.223 3.738 3.960 0.001 0.000 0.215 104 G C 1.634 176.525 174.900 -0.015 0.000 1.188 104 G CA 0.422 45.514 45.100 -0.013 0.000 0.783 104 G HN 0.285 nan 8.290 nan 0.000 0.537 105 K N 0.411 120.801 120.400 -0.016 0.000 2.211 105 K HA -0.044 4.276 4.320 0.001 0.000 0.204 105 K C 1.524 178.109 176.600 -0.026 0.000 1.047 105 K CA 0.965 57.242 56.287 -0.018 0.000 0.935 105 K CB -0.015 32.474 32.500 -0.019 0.000 0.728 105 K HN 0.128 nan 8.250 nan 0.000 0.452 106 N N 1.001 119.680 118.700 -0.035 0.000 2.322 106 N HA 0.006 4.746 4.740 0.001 0.000 0.194 106 N C -0.474 175.017 175.510 -0.032 0.000 1.126 106 N CA 0.197 53.221 53.050 -0.044 0.000 0.845 106 N CB 0.247 38.695 38.487 -0.064 0.000 0.976 106 N HN 0.139 nan 8.380 nan 0.000 0.475 107 N N -0.773 117.915 118.700 -0.019 0.000 2.753 107 N HA -0.161 4.580 4.740 0.001 0.000 0.251 107 N C -0.592 174.917 175.510 -0.001 0.000 1.097 107 N CA 0.376 53.423 53.050 -0.005 0.000 0.786 107 N CB -1.643 36.846 38.487 0.003 0.000 1.137 107 N HN 0.026 nan 8.380 nan 0.000 0.566 108 V N 1.450 121.350 119.914 -0.024 0.000 2.637 108 V HA 0.025 4.146 4.120 0.001 0.000 0.296 108 V C 0.637 176.709 176.094 -0.036 0.000 1.046 108 V CA 0.064 62.339 62.300 -0.042 0.000 1.066 108 V CB 1.031 32.808 31.823 -0.076 0.000 0.968 108 V HN 0.042 nan 8.190 nan 0.000 0.483 109 D N 3.549 123.925 120.400 -0.040 0.000 2.316 109 D HA 0.298 4.938 4.640 0.001 0.000 0.245 109 D C -0.227 176.013 176.300 -0.100 0.000 1.171 109 D CA -0.059 53.920 54.000 -0.034 0.000 0.856 109 D CB 1.577 42.399 40.800 0.038 0.000 1.090 109 D HN 0.242 nan 8.370 nan 0.000 0.476 110 V N 4.008 123.878 119.914 -0.073 0.000 2.461 110 V HA 0.302 4.423 4.120 0.001 0.000 0.275 110 V C 0.636 176.684 176.094 -0.077 0.000 1.047 110 V CA -0.470 61.779 62.300 -0.086 0.000 0.955 110 V CB 0.814 32.600 31.823 -0.063 0.000 0.988 110 V HN 0.353 nan 8.190 nan 0.000 0.471 111 I N 4.788 125.300 120.570 -0.096 0.000 2.406 111 I HA 0.434 4.604 4.170 0.001 0.000 0.290 111 I C -0.035 176.042 176.117 -0.067 0.000 0.999 111 I CA -0.576 60.680 61.300 -0.074 0.000 1.124 111 I CB 1.777 39.723 38.000 -0.091 0.000 1.289 111 I HN 0.505 nan 8.210 nan 0.000 0.441 112 K N 5.362 125.736 120.400 -0.043 0.000 2.268 112 K HA 0.719 5.040 4.320 0.001 0.000 0.276 112 K C -0.358 176.235 176.600 -0.011 0.000 1.080 112 K CA -0.175 56.092 56.287 -0.032 0.000 0.910 112 K CB 0.916 33.399 32.500 -0.029 0.000 1.163 112 K HN 0.907 nan 8.250 nan 0.000 0.465 113 G N 2.770 111.570 108.800 -0.000 0.000 2.322 113 G HA2 0.155 4.115 3.960 0.001 0.000 0.295 113 G HA3 0.155 4.115 3.960 0.001 0.000 0.295 113 G C -2.240 172.701 174.900 0.069 0.000 1.369 113 G CA -0.997 44.129 45.100 0.044 0.000 0.821 113 G HN 0.416 nan 8.290 nan 0.000 0.536 114 F N 2.057 121.979 119.950 -0.046 0.000 2.361 114 F HA 0.689 5.216 4.527 0.001 0.000 0.364 114 F C 0.658 176.417 175.800 -0.068 0.000 1.120 114 F CA -0.313 57.657 58.000 -0.051 0.000 1.102 114 F CB 0.877 39.858 39.000 -0.033 0.000 1.183 114 F HN 0.744 nan 8.300 nan 0.000 0.476 115 A N 7.283 129.828 122.820 -0.458 0.000 2.388 115 A HA 0.660 4.981 4.320 0.001 0.000 0.257 115 A C -0.218 177.100 177.584 -0.444 0.000 1.095 115 A CA -0.407 51.398 52.037 -0.386 0.000 0.791 115 A CB 0.428 19.177 19.000 -0.419 0.000 1.029 115 A HN 0.899 nan 8.150 nan 0.000 0.489 116 R N 0.589 120.942 120.500 -0.245 0.000 2.795 116 R HA 0.478 4.818 4.340 0.001 0.000 0.275 116 R C -1.609 174.573 176.300 -0.197 0.000 0.981 116 R CA -0.632 55.372 56.100 -0.159 0.000 0.917 116 R CB 1.509 31.838 30.300 0.049 0.000 1.202 116 R HN 0.603 nan 8.270 nan 0.000 0.469 117 F N 1.003 120.947 119.950 -0.010 0.000 2.467 117 F HA 0.055 4.582 4.527 0.001 0.000 0.362 117 F C 1.460 177.266 175.800 0.011 0.000 1.090 117 F CA -0.162 57.836 58.000 -0.003 0.000 1.202 117 F CB 1.030 40.027 39.000 -0.005 0.000 1.113 117 F HN 0.261 nan 8.300 nan 0.000 0.541 118 V N 0.305 120.340 119.914 0.201 0.000 2.949 118 V HA 0.078 4.198 4.120 0.001 0.000 0.245 118 V C -0.168 176.004 176.094 0.130 0.000 1.086 118 V CA 0.846 63.224 62.300 0.131 0.000 1.097 118 V CB -0.741 31.134 31.823 0.085 0.000 0.762 118 V HN 0.843 nan 8.190 nan 0.000 0.470 119 D N -2.047 118.448 120.400 0.159 0.000 2.851 119 D HA 0.475 5.116 4.640 0.001 0.000 0.339 119 D C 0.716 177.073 176.300 0.095 0.000 1.347 119 D CA 0.016 54.070 54.000 0.091 0.000 0.888 119 D CB 0.833 41.666 40.800 0.056 0.000 1.431 119 D HN -0.029 nan 8.370 nan 0.000 0.509 120 A N -0.990 121.833 122.820 0.005 0.000 2.234 120 A HA -0.078 4.243 4.320 0.001 0.000 0.216 120 A C 1.234 178.857 177.584 0.065 0.000 1.167 120 A CA 1.186 53.203 52.037 -0.034 0.000 0.698 120 A CB -0.457 18.504 19.000 -0.066 0.000 0.779 120 A HN 0.309 nan 8.150 nan 0.000 0.475 121 K N -0.954 119.516 120.400 0.117 0.000 2.554 121 K HA 0.151 4.471 4.320 0.001 0.000 0.211 121 K C -0.660 176.032 176.600 0.153 0.000 1.226 121 K CA 0.346 56.711 56.287 0.130 0.000 1.025 121 K CB 0.872 33.429 32.500 0.096 0.000 1.021 121 K HN 0.321 nan 8.250 nan 0.000 0.600 122 T N 1.211 115.867 114.554 0.169 0.000 2.876 122 T HA 0.647 4.998 4.350 0.001 0.000 0.289 122 T C -0.487 174.284 174.700 0.118 0.000 1.014 122 T CA -0.536 61.640 62.100 0.128 0.000 0.986 122 T CB 2.060 70.991 68.868 0.104 0.000 1.021 122 T HN -0.095 nan 8.240 nan 0.000 0.458 123 L N 1.792 123.031 121.223 0.027 0.000 2.408 123 L HA 0.596 4.936 4.340 0.001 0.000 0.268 123 L C -0.308 176.537 176.870 -0.043 0.000 0.986 123 L CA -0.848 53.939 54.840 -0.089 0.000 0.820 123 L CB 2.258 44.200 42.059 -0.194 0.000 1.303 123 L HN 0.537 nan 8.230 nan 0.000 0.411 124 E N 2.712 122.885 120.200 -0.045 0.000 2.183 124 E HA 0.605 4.956 4.350 0.001 0.000 0.271 124 E C -1.839 174.744 176.600 -0.028 0.000 0.919 124 E CA -0.580 55.813 56.400 -0.012 0.000 0.781 124 E CB 2.397 32.107 29.700 0.017 0.000 1.140 124 E HN 0.351 nan 8.360 nan 0.000 0.402 125 V N 4.381 124.285 119.914 -0.016 0.000 2.524 125 V HA 0.262 4.382 4.120 0.001 0.000 0.297 125 V C -0.337 175.764 176.094 0.012 0.000 1.035 125 V CA -1.104 61.189 62.300 -0.013 0.000 0.867 125 V CB 1.332 33.130 31.823 -0.042 0.000 1.004 125 V HN 0.809 nan 8.190 nan 0.000 0.426 126 N N 3.544 122.262 118.700 0.030 0.000 2.758 126 N HA -0.202 4.539 4.740 0.001 0.000 0.248 126 N C 1.298 176.821 175.510 0.022 0.000 1.076 126 N CA 1.758 54.824 53.050 0.026 0.000 0.696 126 N CB -1.238 37.260 38.487 0.019 0.000 0.979 126 N HN 1.693 nan 8.380 nan 0.000 0.550 127 G N -1.250 107.565 108.800 0.024 0.000 2.353 127 G HA2 -0.405 3.555 3.960 0.001 0.000 0.258 127 G HA3 -0.405 3.555 3.960 0.001 0.000 0.258 127 G C 0.030 174.943 174.900 0.022 0.000 1.013 127 G CA 0.992 46.106 45.100 0.023 0.000 0.622 127 G HN 0.575 nan 8.290 nan 0.000 0.535 128 E N 0.932 121.145 120.200 0.022 0.000 2.349 128 E HA 0.516 4.866 4.350 0.001 0.000 0.262 128 E C -0.446 176.171 176.600 0.028 0.000 1.088 128 E CA 0.291 56.707 56.400 0.026 0.000 0.899 128 E CB 0.760 30.477 29.700 0.029 0.000 1.044 128 E HN 0.172 nan 8.360 nan 0.000 0.420 129 T N 3.469 118.045 114.554 0.037 0.000 2.812 129 T HA 0.524 4.875 4.350 0.001 0.000 0.282 129 T C -0.120 174.618 174.700 0.064 0.000 0.990 129 T CA -0.563 61.562 62.100 0.043 0.000 0.960 129 T CB 0.386 69.279 68.868 0.042 0.000 0.948 129 T HN 0.414 nan 8.240 nan 0.000 0.438 130 I N -0.177 120.436 120.570 0.073 0.000 2.934 130 I HA 0.931 5.101 4.170 0.001 0.000 0.306 130 I C -0.582 175.610 176.117 0.124 0.000 1.110 130 I CA -0.824 60.552 61.300 0.127 0.000 1.019 130 I CB 2.704 40.809 38.000 0.175 0.000 1.227 130 I HN 0.536 nan 8.210 nan 0.000 0.434 131 T N 2.213 116.865 114.554 0.163 0.000 2.900 131 T HA 0.882 5.233 4.350 0.001 0.000 0.303 131 T C -1.238 173.487 174.700 0.042 0.000 1.142 131 T CA -0.122 62.073 62.100 0.158 0.000 1.007 131 T CB 1.766 70.778 68.868 0.240 0.000 1.156 131 T HN 1.265 nan 8.240 nan 0.000 0.490 132 A N 1.997 124.832 122.820 0.025 0.000 2.602 132 A HA 0.666 4.986 4.320 0.001 0.000 0.290 132 A C 0.028 177.652 177.584 0.066 0.000 1.114 132 A CA -0.540 51.423 52.037 -0.124 0.000 0.683 132 A CB 0.958 19.995 19.000 0.062 0.000 1.281 132 A HN 0.774 nan 8.150 nan 0.000 0.416 133 D N -0.087 120.351 120.400 0.064 0.000 2.301 133 D HA 0.065 4.705 4.640 0.001 0.000 0.206 133 D C -0.395 175.780 176.300 -0.209 0.000 0.979 133 D CA 1.120 55.096 54.000 -0.040 0.000 0.874 133 D CB 0.117 40.875 40.800 -0.070 0.000 0.968 133 D HN 0.536 nan 8.370 nan 0.000 0.510 134 H N 0.197 119.458 119.070 0.319 0.000 2.589 134 H HA 0.457 5.014 4.556 0.001 0.000 0.335 134 H C -0.211 175.436 175.328 0.531 0.000 1.019 134 H CA -0.344 55.990 56.048 0.476 0.000 1.213 134 H CB 1.889 32.003 29.762 0.588 0.000 1.472 134 H HN -0.104 nan 8.280 nan 0.000 0.508 135 I N 4.101 124.947 120.570 0.460 0.000 2.406 135 I HA 0.108 4.278 4.170 0.001 0.000 0.290 135 I C -0.532 175.844 176.117 0.431 0.000 0.999 135 I CA -0.916 60.609 61.300 0.375 0.000 1.124 135 I CB 2.252 40.415 38.000 0.271 0.000 1.289 135 I HN 0.191 nan 8.210 nan 0.000 0.441 136 L N 8.256 129.702 121.223 0.372 0.000 2.282 136 L HA 0.557 4.898 4.340 0.001 0.000 0.288 136 L C -0.687 176.279 176.870 0.160 0.000 1.033 136 L CA -0.013 55.033 54.840 0.344 0.000 0.807 136 L CB 0.991 43.196 42.059 0.244 0.000 1.209 136 L HN 0.388 nan 8.230 nan 0.000 0.423 137 I N 5.959 126.638 120.570 0.182 0.000 2.297 137 I HA 0.468 4.638 4.170 0.001 0.000 0.291 137 I C 0.308 176.480 176.117 0.092 0.000 1.033 137 I CA -0.184 61.188 61.300 0.120 0.000 1.253 137 I CB 1.294 39.401 38.000 0.178 0.000 1.396 137 I HN 0.805 nan 8.210 nan 0.000 0.476 138 A N 3.791 126.634 122.820 0.039 0.000 3.214 138 A HA 0.294 4.615 4.320 0.001 0.000 0.304 138 A C 1.037 178.632 177.584 0.019 0.000 0.969 138 A CA -0.396 51.665 52.037 0.040 0.000 0.986 138 A CB -0.384 18.629 19.000 0.022 0.000 1.073 138 A HN 0.748 nan 8.150 nan 0.000 0.487 139 T N -2.835 111.736 114.554 0.027 0.000 3.113 139 T HA 0.407 4.757 4.350 0.001 0.000 0.256 139 T C 1.392 176.122 174.700 0.049 0.000 1.131 139 T CA 1.008 63.118 62.100 0.017 0.000 1.074 139 T CB -0.309 68.566 68.868 0.010 0.000 0.944 139 T HN 1.977 nan 8.240 nan 0.000 0.516 140 G N 0.550 109.390 108.800 0.068 0.000 2.552 140 G HA2 0.221 4.182 3.960 0.001 0.000 0.265 140 G HA3 0.221 4.182 3.960 0.001 0.000 0.265 140 G C 0.119 175.077 174.900 0.096 0.000 1.234 140 G CA -0.255 44.894 45.100 0.081 0.000 0.944 140 G HN 1.319 nan 8.290 nan 0.000 0.568 141 G N -1.347 107.508 108.800 0.092 0.000 2.911 141 G HA2 0.993 4.953 3.960 0.001 0.000 0.299 141 G HA3 0.993 4.953 3.960 0.001 0.000 0.299 141 G C -0.580 174.366 174.900 0.077 0.000 1.283 141 G CA 0.429 45.581 45.100 0.088 0.000 0.805 141 G HN 1.719 nan 8.290 nan 0.000 0.548 142 R N -1.649 118.889 120.500 0.065 0.000 2.728 142 R HA 0.530 4.870 4.340 0.001 0.000 0.274 142 R C -3.333 172.989 176.300 0.036 0.000 1.030 142 R CA -1.562 54.577 56.100 0.066 0.000 0.876 142 R CB 1.161 31.502 30.300 0.069 0.000 1.259 142 R HN 0.298 nan 8.270 nan 0.000 0.468 143 P HA 0.093 nan 4.420 nan 0.000 0.268 143 P C -0.757 176.392 177.300 -0.252 0.000 1.204 143 P CA 0.155 63.218 63.100 -0.061 0.000 0.768 143 P CB 0.949 32.647 31.700 -0.003 0.000 0.842 144 S N 2.009 117.564 115.700 -0.241 0.000 2.601 144 S HA 0.316 4.787 4.470 0.001 0.000 0.271 144 S C -0.289 173.947 174.600 -0.606 0.000 1.305 144 S CA -0.333 57.685 58.200 -0.303 0.000 1.022 144 S CB 0.069 63.193 63.200 -0.128 0.000 0.940 144 S HN 0.467 nan 8.310 nan 0.000 0.525 145 H N 0.918 119.906 119.070 -0.137 0.000 2.637 145 H HA 0.438 4.995 4.556 0.001 0.000 0.363 145 H C -2.339 172.741 175.328 -0.412 0.000 1.131 145 H CA -1.640 54.203 56.048 -0.342 0.000 1.183 145 H CB 1.102 30.691 29.762 -0.289 0.000 1.637 145 H HN 0.403 nan 8.280 nan 0.000 0.531 146 P HA 0.009 nan 4.420 nan 0.000 0.275 146 P C -0.468 176.643 177.300 -0.314 0.000 1.228 146 P CA -0.309 62.529 63.100 -0.436 0.000 0.786 146 P CB 1.173 32.517 31.700 -0.593 0.000 0.927 147 D N 2.759 123.047 120.400 -0.188 0.000 2.517 147 D HA 0.298 4.938 4.640 0.001 0.000 0.220 147 D C -0.092 176.135 176.300 -0.121 0.000 1.158 147 D CA -0.314 53.605 54.000 -0.135 0.000 0.992 147 D CB -1.045 39.702 40.800 -0.088 0.000 1.058 147 D HN 0.320 nan 8.370 nan 0.000 0.516 148 I N -1.368 119.119 120.570 -0.138 0.000 2.865 148 I HA 0.640 4.811 4.170 0.001 0.000 0.302 148 I C -2.656 173.426 176.117 -0.059 0.000 1.140 148 I CA -3.020 58.230 61.300 -0.083 0.000 1.021 148 I CB 2.082 40.043 38.000 -0.065 0.000 1.233 148 I HN -0.147 nan 8.210 nan 0.000 0.427 149 P HA 0.122 nan 4.420 nan 0.000 0.261 149 P C 0.798 178.094 177.300 -0.007 0.000 1.173 149 P CA 1.374 64.460 63.100 -0.024 0.000 0.760 149 P CB 0.499 32.200 31.700 0.002 0.000 0.783 150 G N 1.954 110.694 108.800 -0.100 0.000 2.162 150 G HA2 -0.327 3.633 3.960 0.001 0.000 0.260 150 G HA3 -0.327 3.633 3.960 0.001 0.000 0.260 150 G C 1.027 175.881 174.900 -0.077 0.000 0.976 150 G CA 0.187 45.173 45.100 -0.191 0.000 0.655 150 G HN 0.543 nan 8.290 nan 0.000 0.533 151 V N 1.611 121.522 119.914 -0.005 0.000 2.453 151 V HA -0.205 3.916 4.120 0.001 0.000 0.252 151 V C 2.741 178.919 176.094 0.139 0.000 1.068 151 V CA 3.128 65.496 62.300 0.114 0.000 1.070 151 V CB -0.073 31.640 31.823 -0.183 0.000 0.664 151 V HN 0.760 nan 8.190 nan 0.000 0.461 152 E N -1.027 119.091 120.200 -0.136 0.000 2.418 152 E HA -0.221 4.129 4.350 0.001 0.000 0.197 152 E C 1.714 178.272 176.600 -0.069 0.000 1.026 152 E CA 1.230 57.536 56.400 -0.156 0.000 0.862 152 E CB -0.700 28.850 29.700 -0.251 0.000 0.799 152 E HN 0.757 nan 8.360 nan 0.000 0.518 153 Y N 1.571 121.937 120.300 0.111 0.000 2.544 153 Y HA 0.300 4.850 4.550 0.001 0.000 0.286 153 Y C 1.698 177.615 175.900 0.028 0.000 1.141 153 Y CA 0.166 58.297 58.100 0.052 0.000 1.299 153 Y CB -0.399 38.075 38.460 0.022 0.000 1.030 153 Y HN 0.028 nan 8.280 nan 0.000 0.543 154 G N 0.452 109.392 108.800 0.232 0.000 2.477 154 G HA2 0.558 4.519 3.960 0.001 0.000 0.304 154 G HA3 0.558 4.519 3.960 0.001 0.000 0.304 154 G C -0.096 174.865 174.900 0.102 0.000 1.175 154 G CA -0.589 44.474 45.100 -0.061 0.000 0.907 154 G HN 0.190 nan 8.290 nan 0.000 0.509 155 I N -1.950 118.650 120.570 0.050 0.000 3.449 155 I HA 0.848 5.018 4.170 0.001 0.000 0.294 155 I C -0.571 175.716 176.117 0.282 0.000 1.163 155 I CA -1.241 60.158 61.300 0.165 0.000 1.010 155 I CB 2.340 40.412 38.000 0.120 0.000 1.307 155 I HN 0.522 nan 8.210 nan 0.000 0.518 156 D N -0.761 119.838 120.400 0.331 0.000 2.727 156 D HA 0.289 4.929 4.640 0.001 0.000 0.264 156 D C 0.707 177.174 176.300 0.278 0.000 1.101 156 D CA -0.118 54.099 54.000 0.361 0.000 1.122 156 D CB 0.780 41.860 40.800 0.467 0.000 1.390 156 D HN 0.561 nan 8.370 nan 0.000 0.606 157 S N -1.045 114.811 115.700 0.261 0.000 2.419 157 S HA -0.177 4.293 4.470 0.001 0.000 0.233 157 S C 0.994 175.839 174.600 0.410 0.000 1.016 157 S CA 1.060 59.428 58.200 0.280 0.000 0.974 157 S CB -0.532 62.832 63.200 0.273 0.000 0.786 157 S HN 0.418 nan 8.310 nan 0.000 0.492 158 D N 2.250 122.869 120.400 0.365 0.000 2.117 158 D HA 0.027 4.667 4.640 0.001 0.000 0.198 158 D C 2.201 178.695 176.300 0.323 0.000 0.982 158 D CA 1.399 55.623 54.000 0.373 0.000 0.828 158 D CB -1.042 39.914 40.800 0.259 0.000 0.967 158 D HN 0.555 nan 8.370 nan 0.000 0.464 159 G N 0.112 109.065 108.800 0.255 0.000 2.432 159 G HA2 -0.268 3.692 3.960 0.001 0.000 0.219 159 G HA3 -0.268 3.692 3.960 0.001 0.000 0.219 159 G C 1.475 176.470 174.900 0.159 0.000 1.135 159 G CA 0.275 45.487 45.100 0.188 0.000 0.767 159 G HN 0.255 nan 8.290 nan 0.000 0.550 160 F N 1.034 120.995 119.950 0.018 0.000 2.126 160 F HA -0.022 4.505 4.527 0.001 0.000 0.299 160 F C 2.013 177.693 175.800 -0.200 0.000 1.096 160 F CA 1.206 59.127 58.000 -0.132 0.000 1.255 160 F CB -0.204 38.606 39.000 -0.317 0.000 0.997 160 F HN 0.113 nan 8.300 nan 0.000 0.479 161 F N 0.289 120.288 119.950 0.081 0.000 2.502 161 F HA 0.129 4.656 4.527 0.001 0.000 0.298 161 F C 2.271 178.033 175.800 -0.063 0.000 1.111 161 F CA 0.746 58.719 58.000 -0.046 0.000 1.445 161 F CB -0.988 38.075 39.000 0.105 0.000 1.081 161 F HN 0.068 nan 8.300 nan 0.000 0.558 162 A N -0.127 122.761 122.820 0.113 0.000 2.337 162 A HA 0.252 4.573 4.320 0.001 0.000 0.227 162 A C 0.709 178.325 177.584 0.053 0.000 1.259 162 A CA -0.193 51.894 52.037 0.083 0.000 0.870 162 A CB -0.706 18.353 19.000 0.100 0.000 0.927 162 A HN 0.179 nan 8.150 nan 0.000 0.497 163 L N 1.246 122.480 121.223 0.018 0.000 2.360 163 L HA 0.161 4.502 4.340 0.001 0.000 0.276 163 L C -0.896 176.116 176.870 0.237 0.000 1.121 163 L CA -1.371 53.512 54.840 0.072 0.000 0.845 163 L CB 1.431 43.501 42.059 0.018 0.000 1.143 163 L HN 0.212 nan 8.230 nan 0.000 0.452 164 P HA 0.025 nan 4.420 nan 0.000 0.229 164 P C -0.107 177.210 177.300 0.029 0.000 1.160 164 P CA 0.549 63.729 63.100 0.133 0.000 0.777 164 P CB 0.614 32.335 31.700 0.035 0.000 0.814 165 A N -0.728 121.881 122.820 -0.351 0.000 2.601 165 A HA 0.509 4.829 4.320 0.001 0.000 0.291 165 A C -1.632 175.248 177.584 -1.173 0.000 1.075 165 A CA -0.724 50.791 52.037 -0.870 0.000 0.671 165 A CB 0.504 19.262 19.000 -0.404 0.000 1.277 165 A HN 0.039 nan 8.150 nan 0.000 0.417 166 L N 2.131 122.573 121.223 -1.302 0.000 2.281 166 L HA 0.424 4.764 4.340 0.001 0.000 0.285 166 L C -2.131 174.482 176.870 -0.428 0.000 1.074 166 L CA -1.631 52.658 54.840 -0.918 0.000 0.817 166 L CB 1.113 42.773 42.059 -0.666 0.000 1.168 166 L HN 0.517 nan 8.230 nan 0.000 0.434 167 P HA 0.086 nan 4.420 nan 0.000 0.272 167 P C 0.084 177.314 177.300 -0.117 0.000 1.223 167 P CA -0.368 62.636 63.100 -0.160 0.000 0.784 167 P CB 0.661 32.297 31.700 -0.107 0.000 0.923 168 E N 1.650 121.797 120.200 -0.089 0.000 2.152 168 E HA -0.082 4.269 4.350 0.001 0.000 0.192 168 E C -0.008 176.564 176.600 -0.046 0.000 0.983 168 E CA 0.853 57.214 56.400 -0.065 0.000 0.818 168 E CB -0.042 29.627 29.700 -0.052 0.000 0.758 168 E HN 0.323 nan 8.360 nan 0.000 0.467 169 R N 0.726 121.207 120.500 -0.033 0.000 2.476 169 R HA 0.536 4.876 4.340 0.001 0.000 0.305 169 R C -1.622 174.681 176.300 0.005 0.000 0.965 169 R CA -0.663 55.433 56.100 -0.006 0.000 0.867 169 R CB 2.573 32.889 30.300 0.027 0.000 1.176 169 R HN -0.079 nan 8.270 nan 0.000 0.447 170 V N 1.632 121.555 119.914 0.015 0.000 2.588 170 V HA 0.687 4.807 4.120 0.001 0.000 0.304 170 V C -0.392 175.759 176.094 0.096 0.000 1.042 170 V CA -0.987 61.331 62.300 0.030 0.000 0.877 170 V CB 1.912 33.747 31.823 0.021 0.000 0.996 170 V HN 0.889 nan 8.190 nan 0.000 0.425 171 A N 4.077 126.955 122.820 0.097 0.000 2.288 171 A HA 0.836 5.156 4.320 0.001 0.000 0.320 171 A C -0.721 176.917 177.584 0.090 0.000 1.217 171 A CA -0.527 51.629 52.037 0.199 0.000 0.840 171 A CB 1.294 20.356 19.000 0.104 0.000 1.179 171 A HN 0.706 nan 8.150 nan 0.000 0.504 172 V N 3.578 123.597 119.914 0.175 0.000 2.370 172 V HA 0.361 4.481 4.120 0.001 0.000 0.283 172 V C -0.263 175.963 176.094 0.219 0.000 1.023 172 V CA -0.457 61.912 62.300 0.115 0.000 0.857 172 V CB 1.457 33.330 31.823 0.084 0.000 0.985 172 V HN 0.616 nan 8.190 nan 0.000 0.443 173 V N 3.926 123.930 119.914 0.151 0.000 2.347 173 V HA 0.909 5.030 4.120 0.001 0.000 0.280 173 V C 0.528 176.775 176.094 0.255 0.000 1.021 173 V CA 0.147 62.588 62.300 0.236 0.000 0.847 173 V CB 0.853 32.781 31.823 0.175 0.000 0.990 173 V HN 1.254 nan 8.190 nan 0.000 0.444 174 G N 3.994 112.937 108.800 0.237 0.000 3.438 174 G HA2 0.358 4.319 3.960 0.001 0.000 0.684 174 G HA3 0.358 4.319 3.960 0.001 0.000 0.684 174 G C -0.362 174.637 174.900 0.164 0.000 1.192 174 G CA -0.308 44.912 45.100 0.200 0.000 1.013 174 G HN 1.454 nan 8.290 nan 0.000 0.530 175 A N 1.772 124.678 122.820 0.143 0.000 3.154 175 A HA 0.817 5.137 4.320 0.001 0.000 0.310 175 A C 1.238 178.861 177.584 0.066 0.000 1.093 175 A CA 0.997 53.089 52.037 0.092 0.000 1.006 175 A CB -0.117 18.922 19.000 0.065 0.000 1.084 175 A HN 2.010 nan 8.150 nan 0.000 0.549 176 G N -0.965 107.901 108.800 0.110 0.000 2.630 176 G HA2 0.359 4.320 3.960 0.001 0.000 0.223 176 G HA3 0.359 4.320 3.960 0.001 0.000 0.223 176 G C 0.644 175.595 174.900 0.087 0.000 1.434 176 G CA -0.204 44.969 45.100 0.121 0.000 1.057 176 G HN 0.288 nan 8.290 nan 0.000 0.570 177 Y N -0.384 119.958 120.300 0.070 0.000 2.081 177 Y HA -0.126 4.424 4.550 0.001 0.000 0.280 177 Y C 2.827 178.763 175.900 0.061 0.000 1.163 177 Y CA 1.662 59.799 58.100 0.060 0.000 1.135 177 Y CB -0.301 38.229 38.460 0.117 0.000 0.970 177 Y HN 0.184 nan 8.280 nan 0.000 0.498 178 I N -1.039 119.692 120.570 0.268 0.000 2.233 178 I HA -0.204 3.966 4.170 0.001 0.000 0.243 178 I C 2.634 178.811 176.117 0.101 0.000 1.093 178 I CA 1.350 62.753 61.300 0.172 0.000 1.380 178 I CB -0.846 37.252 38.000 0.164 0.000 1.067 178 I HN 0.279 nan 8.210 nan 0.000 0.413 179 G N 0.333 109.193 108.800 0.101 0.000 2.418 179 G HA2 -0.175 3.786 3.960 0.001 0.000 0.217 179 G HA3 -0.175 3.786 3.960 0.001 0.000 0.217 179 G C 1.710 176.634 174.900 0.039 0.000 1.158 179 G CA 0.783 45.924 45.100 0.069 0.000 0.771 179 G HN 0.224 nan 8.290 nan 0.000 0.545 180 V N 0.679 120.612 119.914 0.032 0.000 2.295 180 V HA -0.172 3.949 4.120 0.001 0.000 0.246 180 V C 2.706 178.827 176.094 0.044 0.000 1.049 180 V CA 2.233 64.537 62.300 0.005 0.000 1.024 180 V CB -0.470 31.316 31.823 -0.063 0.000 0.648 180 V HN 0.471 nan 8.190 nan 0.000 0.447 181 E N 0.051 120.296 120.200 0.075 0.000 2.017 181 E HA -0.173 4.177 4.350 0.001 0.000 0.193 181 E C 2.260 178.904 176.600 0.072 0.000 0.997 181 E CA 1.364 57.842 56.400 0.130 0.000 0.804 181 E CB -0.223 29.572 29.700 0.158 0.000 0.757 181 E HN 0.470 nan 8.360 nan 0.000 0.448 182 L N 0.465 121.665 121.223 -0.039 0.000 2.093 182 L HA -0.078 4.263 4.340 0.001 0.000 0.208 182 L C 2.614 179.413 176.870 -0.119 0.000 1.085 182 L CA 1.049 55.768 54.840 -0.203 0.000 0.755 182 L CB -0.855 40.971 42.059 -0.388 0.000 0.904 182 L HN 0.262 nan 8.230 nan 0.000 0.435 183 G N 0.167 108.934 108.800 -0.055 0.000 2.440 183 G HA2 -0.227 3.733 3.960 0.001 0.000 0.218 183 G HA3 -0.227 3.733 3.960 0.001 0.000 0.218 183 G C 1.570 176.427 174.900 -0.070 0.000 1.154 183 G CA 0.863 45.938 45.100 -0.041 0.000 0.767 183 G HN 0.489 nan 8.290 nan 0.000 0.552 184 G N -0.033 108.735 108.800 -0.052 0.000 2.403 184 G HA2 -0.051 3.910 3.960 0.001 0.000 0.216 184 G HA3 -0.051 3.910 3.960 0.001 0.000 0.216 184 G C 1.751 176.442 174.900 -0.348 0.000 1.154 184 G CA 1.039 46.022 45.100 -0.195 0.000 0.784 184 G HN 0.321 nan 8.290 nan 0.000 0.538 185 V N 1.061 120.956 119.914 -0.032 0.000 2.270 185 V HA -0.090 4.031 4.120 0.001 0.000 0.245 185 V C 2.788 178.910 176.094 0.046 0.000 1.043 185 V CA 1.449 63.795 62.300 0.077 0.000 1.014 185 V CB -0.311 31.616 31.823 0.173 0.000 0.645 185 V HN 0.376 nan 8.190 nan 0.000 0.447 186 I N 0.420 121.011 120.570 0.035 0.000 2.226 186 I HA -0.246 3.924 4.170 0.001 0.000 0.245 186 I C 2.364 178.479 176.117 -0.003 0.000 1.100 186 I CA 1.940 63.285 61.300 0.075 0.000 1.374 186 I CB -0.515 37.522 38.000 0.061 0.000 1.057 186 I HN 0.400 nan 8.210 nan 0.000 0.413 187 N N 1.157 119.814 118.700 -0.071 0.000 2.120 187 N HA -0.146 4.594 4.740 0.001 0.000 0.188 187 N C 1.878 177.317 175.510 -0.118 0.000 1.024 187 N CA 1.785 54.771 53.050 -0.107 0.000 0.852 187 N CB -0.309 38.092 38.487 -0.143 0.000 1.003 187 N HN 0.286 nan 8.380 nan 0.000 0.424 188 G N -0.222 108.484 108.800 -0.158 0.000 2.448 188 G HA2 -0.081 3.880 3.960 0.001 0.000 0.218 188 G HA3 -0.081 3.880 3.960 0.001 0.000 0.218 188 G C 1.322 176.175 174.900 -0.079 0.000 1.135 188 G CA 0.206 45.229 45.100 -0.128 0.000 0.784 188 G HN 0.313 nan 8.290 nan 0.000 0.543 189 L N 0.045 121.247 121.223 -0.034 0.000 2.552 189 L HA 0.219 4.559 4.340 0.001 0.000 0.227 189 L C 2.067 178.903 176.870 -0.057 0.000 1.146 189 L CA 0.675 55.501 54.840 -0.023 0.000 0.858 189 L CB 0.159 42.321 42.059 0.171 0.000 0.969 189 L HN 0.416 nan 8.230 nan 0.000 0.451 190 G N -0.905 107.848 108.800 -0.078 0.000 2.211 190 G HA2 -0.176 3.785 3.960 0.001 0.000 0.201 190 G HA3 -0.176 3.785 3.960 0.001 0.000 0.201 190 G C 0.316 175.177 174.900 -0.064 0.000 0.997 190 G CA -0.153 44.888 45.100 -0.099 0.000 0.652 190 G HN 0.416 nan 8.290 nan 0.000 0.500 191 A N 0.052 122.846 122.820 -0.043 0.000 2.304 191 A HA 0.735 5.055 4.320 0.001 0.000 0.271 191 A C 0.303 177.843 177.584 -0.072 0.000 1.091 191 A CA -0.024 51.983 52.037 -0.050 0.000 0.812 191 A CB 0.423 19.401 19.000 -0.037 0.000 1.056 191 A HN 0.306 nan 8.150 nan 0.000 0.489 192 K N 1.659 122.012 120.400 -0.079 0.000 2.338 192 K HA 0.377 4.697 4.320 0.001 0.000 0.290 192 K C -0.448 176.045 176.600 -0.179 0.000 1.069 192 K CA 0.567 56.780 56.287 -0.123 0.000 0.941 192 K CB 0.522 32.966 32.500 -0.094 0.000 1.023 192 K HN 0.615 nan 8.250 nan 0.000 0.477 193 T N 3.036 117.455 114.554 -0.225 0.000 2.855 193 T HA 0.354 4.705 4.350 0.001 0.000 0.281 193 T C -0.612 173.883 174.700 -0.342 0.000 1.007 193 T CA -0.861 61.118 62.100 -0.202 0.000 1.009 193 T CB 0.780 69.586 68.868 -0.103 0.000 0.983 193 T HN 0.415 nan 8.240 nan 0.000 0.455 194 H N 1.736 120.853 119.070 0.079 0.000 2.529 194 H HA 0.511 5.068 4.556 0.001 0.000 0.348 194 H C -1.100 174.273 175.328 0.075 0.000 1.079 194 H CA -0.814 55.280 56.048 0.077 0.000 1.198 194 H CB 2.115 31.974 29.762 0.162 0.000 1.521 194 H HN 0.274 nan 8.280 nan 0.000 0.514 195 L N 4.105 125.362 121.223 0.057 0.000 2.305 195 L HA 0.403 4.744 4.340 0.001 0.000 0.284 195 L C -1.452 175.390 176.870 -0.046 0.000 1.013 195 L CA -0.418 54.468 54.840 0.076 0.000 0.819 195 L CB 0.319 42.389 42.059 0.018 0.000 1.227 195 L HN 0.297 nan 8.230 nan 0.000 0.417 196 F N 3.192 123.236 119.950 0.157 0.000 2.450 196 F HA 0.687 5.215 4.527 0.002 0.000 0.332 196 F C 0.123 175.985 175.800 0.103 0.000 1.093 196 F CA -0.583 57.503 58.000 0.144 0.000 1.003 196 F CB 1.791 40.842 39.000 0.084 0.000 1.151 196 F HN 0.455 nan 8.300 nan 0.000 0.474 197 E N 2.635 122.965 120.200 0.217 0.000 2.308 197 E HA 0.273 4.623 4.350 0.001 0.000 0.275 197 E C 0.101 176.743 176.600 0.070 0.000 0.890 197 E CA -0.584 55.902 56.400 0.143 0.000 0.754 197 E CB 1.710 31.484 29.700 0.122 0.000 1.207 197 E HN 0.670 nan 8.360 nan 0.000 0.426 198 M N 2.956 122.525 119.600 -0.053 0.000 2.159 198 M HA 0.082 4.562 4.480 0.001 0.000 0.263 198 M C -0.448 175.590 176.300 -0.437 0.000 1.063 198 M CA 1.211 56.338 55.300 -0.288 0.000 1.110 198 M CB 0.131 32.445 32.600 -0.477 0.000 1.374 198 M HN 0.433 nan 8.290 nan 0.000 0.411 199 F N 0.720 120.718 119.950 0.080 0.000 2.321 199 F HA 0.157 4.684 4.527 0.001 0.000 0.318 199 F C 1.346 177.178 175.800 0.053 0.000 1.129 199 F CA -0.598 57.439 58.000 0.062 0.000 1.074 199 F CB 0.201 39.236 39.000 0.058 0.000 1.432 199 F HN 0.155 nan 8.300 nan 0.000 0.502 200 D N -0.682 119.882 120.400 0.274 0.000 2.339 200 D HA 0.431 5.072 4.640 0.001 0.000 0.217 200 D C -0.368 175.995 176.300 0.105 0.000 1.050 200 D CA 0.179 54.267 54.000 0.145 0.000 0.856 200 D CB 0.197 41.071 40.800 0.123 0.000 0.922 200 D HN 0.507 nan 8.370 nan 0.000 0.518 201 A N 0.627 123.521 122.820 0.123 0.000 2.589 201 A HA 0.569 4.889 4.320 0.001 0.000 0.296 201 A C -2.925 174.703 177.584 0.074 0.000 1.062 201 A CA -1.515 50.564 52.037 0.070 0.000 0.686 201 A CB 1.292 20.323 19.000 0.053 0.000 1.282 201 A HN -0.054 nan 8.150 nan 0.000 0.404 202 P HA 0.299 nan 4.420 nan 0.000 0.272 202 P C 0.010 177.282 177.300 -0.045 0.000 1.223 202 P CA 0.213 63.312 63.100 -0.002 0.000 0.784 202 P CB 0.630 32.306 31.700 -0.039 0.000 0.923 203 L N 1.282 122.452 121.223 -0.089 0.000 3.762 203 L HA -0.173 4.168 4.340 0.001 0.000 0.460 203 L C -1.377 175.499 176.870 0.010 0.000 1.255 203 L CA 0.593 55.314 54.840 -0.198 0.000 0.783 203 L CB -2.122 39.590 42.059 -0.578 0.000 1.600 203 L HN 0.431 nan 8.230 nan 0.000 0.862 204 P HA -0.111 nan 4.420 nan 0.000 0.219 204 P C 1.340 178.686 177.300 0.077 0.000 1.146 204 P CA 1.708 64.848 63.100 0.067 0.000 0.808 204 P CB 0.068 31.788 31.700 0.033 0.000 0.779 205 S N -3.079 112.720 115.700 0.166 0.000 2.593 205 S HA 0.121 4.591 4.470 0.001 0.000 0.217 205 S C 0.527 175.225 174.600 0.164 0.000 0.966 205 S CA -0.234 58.045 58.200 0.133 0.000 0.914 205 S CB -0.841 62.435 63.200 0.127 0.000 0.776 205 S HN -0.136 nan 8.310 nan 0.000 0.523 206 F N 2.754 122.681 119.950 -0.038 0.000 2.362 206 F HA 0.377 4.904 4.527 0.000 0.000 0.311 206 F C 0.966 176.729 175.800 -0.061 0.000 1.161 206 F CA -2.002 55.976 58.000 -0.037 0.000 1.085 206 F CB 0.146 39.113 39.000 -0.055 0.000 1.311 206 F HN 0.039 nan 8.300 nan 0.000 0.524 207 D N 1.639 122.072 120.400 0.055 0.000 2.493 207 D HA -0.008 4.632 4.640 0.001 0.000 0.240 207 D C -1.810 174.482 176.300 -0.014 0.000 1.142 207 D CA -0.933 53.009 54.000 -0.097 0.000 0.872 207 D CB 1.396 41.965 40.800 -0.386 0.000 1.173 207 D HN 0.118 nan 8.370 nan 0.000 0.467 208 P HA -0.218 nan 4.420 nan 0.000 0.216 208 P C 1.641 178.939 177.300 -0.004 0.000 1.154 208 P CA 1.305 64.402 63.100 -0.006 0.000 0.865 208 P CB -0.036 31.657 31.700 -0.012 0.000 0.789 209 M N -1.531 118.061 119.600 -0.013 0.000 2.195 209 M HA -0.193 4.287 4.480 0.001 0.000 0.260 209 M C 1.828 178.137 176.300 0.015 0.000 1.066 209 M CA 1.924 57.226 55.300 0.004 0.000 1.089 209 M CB -0.502 32.103 32.600 0.009 0.000 1.377 209 M HN -0.099 nan 8.290 nan 0.000 0.411 210 I N -0.640 119.945 120.570 0.026 0.000 2.193 210 I HA -0.250 3.921 4.170 0.001 0.000 0.240 210 I C 2.306 178.415 176.117 -0.013 0.000 1.084 210 I CA 1.203 62.521 61.300 0.029 0.000 1.365 210 I CB -0.332 37.725 38.000 0.096 0.000 1.064 210 I HN 0.280 nan 8.210 nan 0.000 0.410 211 S N 0.466 116.159 115.700 -0.011 0.000 2.370 211 S HA -0.228 4.242 4.470 0.001 0.000 0.226 211 S C 1.786 176.374 174.600 -0.019 0.000 1.033 211 S CA 1.502 59.684 58.200 -0.030 0.000 1.011 211 S CB -0.350 62.847 63.200 -0.005 0.000 0.852 211 S HN 0.466 nan 8.310 nan 0.000 0.457 212 E N 0.666 120.862 120.200 -0.006 0.000 2.047 212 E HA -0.085 4.266 4.350 0.001 0.000 0.191 212 E C 2.244 178.841 176.600 -0.005 0.000 0.987 212 E CA 1.504 57.901 56.400 -0.004 0.000 0.799 212 E CB -0.382 29.319 29.700 0.001 0.000 0.752 212 E HN 0.401 nan 8.360 nan 0.000 0.449 213 T N 1.718 116.270 114.554 -0.003 0.000 2.759 213 T HA -0.155 4.195 4.350 0.001 0.000 0.269 213 T C 1.835 176.531 174.700 -0.007 0.000 1.042 213 T CA 0.800 62.899 62.100 -0.002 0.000 1.140 213 T CB -0.218 68.651 68.868 0.001 0.000 0.864 213 T HN -0.001 nan 8.240 nan 0.000 0.455 214 L N 1.169 122.380 121.223 -0.020 0.000 2.083 214 L HA -0.012 4.328 4.340 0.001 0.000 0.209 214 L C 2.437 179.292 176.870 -0.024 0.000 1.083 214 L CA 1.302 56.125 54.840 -0.029 0.000 0.752 214 L CB -0.596 41.425 42.059 -0.063 0.000 0.899 214 L HN 0.080 nan 8.230 nan 0.000 0.433 215 V N -0.570 119.329 119.914 -0.025 0.000 2.407 215 V HA -0.284 3.837 4.120 0.001 0.000 0.248 215 V C 2.510 178.592 176.094 -0.020 0.000 1.055 215 V CA 1.888 64.172 62.300 -0.026 0.000 1.049 215 V CB -0.528 31.282 31.823 -0.022 0.000 0.662 215 V HN 0.565 nan 8.190 nan 0.000 0.455 216 E N 0.063 120.257 120.200 -0.009 0.000 2.028 216 E HA -0.178 4.172 4.350 0.001 0.000 0.191 216 E C 2.279 178.883 176.600 0.006 0.000 0.988 216 E CA 1.629 58.028 56.400 -0.001 0.000 0.799 216 E CB -0.041 29.662 29.700 0.005 0.000 0.755 216 E HN 0.364 nan 8.360 nan 0.000 0.447 217 V N 1.278 121.201 119.914 0.015 0.000 2.255 217 V HA -0.333 3.788 4.120 0.001 0.000 0.247 217 V C 2.518 178.624 176.094 0.020 0.000 1.051 217 V CA 2.178 64.499 62.300 0.034 0.000 1.018 217 V CB -0.452 31.399 31.823 0.045 0.000 0.641 217 V HN 0.413 nan 8.190 nan 0.000 0.445 218 M N -0.150 119.449 119.600 -0.002 0.000 2.159 218 M HA -0.168 4.312 4.480 0.001 0.000 0.263 218 M C 2.054 178.333 176.300 -0.035 0.000 1.063 218 M CA 1.565 56.851 55.300 -0.024 0.000 1.110 218 M CB -0.649 31.924 32.600 -0.045 0.000 1.374 218 M HN 0.401 nan 8.290 nan 0.000 0.411 219 N N 0.720 119.401 118.700 -0.032 0.000 2.223 219 N HA -0.072 4.668 4.740 0.001 0.000 0.185 219 N C 1.641 177.140 175.510 -0.018 0.000 1.016 219 N CA 1.643 54.672 53.050 -0.035 0.000 0.863 219 N CB -0.256 38.213 38.487 -0.029 0.000 0.983 219 N HN 0.354 nan 8.380 nan 0.000 0.429 220 A N 0.508 123.328 122.820 0.000 0.000 1.975 220 A HA 0.038 4.358 4.320 0.001 0.000 0.215 220 A C 1.530 179.128 177.584 0.023 0.000 1.170 220 A CA 0.891 52.938 52.037 0.018 0.000 0.656 220 A CB 0.100 19.122 19.000 0.036 0.000 0.821 220 A HN 0.279 nan 8.150 nan 0.000 0.449 221 E N -1.650 118.558 120.200 0.014 0.000 2.641 221 E HA 0.400 4.751 4.350 0.001 0.000 0.224 221 E C 0.490 177.073 176.600 -0.029 0.000 0.951 221 E CA 0.112 56.515 56.400 0.006 0.000 1.102 221 E CB 0.868 30.585 29.700 0.029 0.000 1.091 221 E HN 0.653 nan 8.360 nan 0.000 0.507 222 G N 3.138 111.914 108.800 -0.040 0.000 2.699 222 G HA2 -0.160 3.800 3.960 0.001 0.000 0.686 222 G HA3 -0.160 3.800 3.960 0.001 0.000 0.686 222 G C -2.846 172.010 174.900 -0.072 0.000 1.301 222 G CA -0.845 44.214 45.100 -0.069 0.000 0.816 222 G HN -0.081 nan 8.290 nan 0.000 0.595 223 P HA 0.154 nan 4.420 nan 0.000 0.272 223 P C -0.419 176.813 177.300 -0.114 0.000 1.240 223 P CA -0.088 62.951 63.100 -0.102 0.000 0.791 223 P CB 0.696 32.345 31.700 -0.085 0.000 0.978 224 Q N 0.851 120.569 119.800 -0.137 0.000 2.337 224 Q HA 0.251 4.591 4.340 0.001 0.000 0.255 224 Q C -0.632 175.202 176.000 -0.277 0.000 0.997 224 Q CA -0.727 54.976 55.803 -0.166 0.000 0.925 224 Q CB 0.235 28.933 28.738 -0.067 0.000 1.212 224 Q HN 0.296 nan 8.270 nan 0.000 0.436 225 L N 5.038 126.060 121.223 -0.336 0.000 2.371 225 L HA 0.220 4.560 4.340 0.001 0.000 0.272 225 L C -1.046 175.440 176.870 -0.641 0.000 1.124 225 L CA 0.249 54.874 54.840 -0.357 0.000 0.816 225 L CB 0.777 42.722 42.059 -0.190 0.000 1.129 225 L HN 0.605 nan 8.230 nan 0.000 0.448 226 H N 3.504 122.409 119.070 -0.275 0.000 2.991 226 H HA 0.306 4.863 4.556 0.001 0.000 0.304 226 H C -0.463 174.805 175.328 -0.100 0.000 1.040 226 H CA -0.387 55.504 56.048 -0.262 0.000 1.410 226 H CB 1.022 30.416 29.762 -0.613 0.000 1.529 226 H HN 0.711 nan 8.280 nan 0.000 0.509 227 T N -0.316 114.253 114.554 0.026 0.000 2.881 227 T HA 0.144 4.494 4.350 0.001 0.000 0.278 227 T C 0.871 175.615 174.700 0.073 0.000 0.982 227 T CA -0.779 61.355 62.100 0.056 0.000 0.989 227 T CB 1.084 69.977 68.868 0.041 0.000 1.058 227 T HN 0.611 nan 8.240 nan 0.000 0.529 228 N N -0.876 117.859 118.700 0.058 0.000 2.708 228 N HA -0.166 4.574 4.740 0.001 0.000 0.251 228 N C 0.026 175.565 175.510 0.048 0.000 1.123 228 N CA 0.894 53.965 53.050 0.035 0.000 0.739 228 N CB -1.644 36.870 38.487 0.045 0.000 1.113 228 N HN 1.111 nan 8.380 nan 0.000 0.561 229 A N 0.819 123.697 122.820 0.097 0.000 2.396 229 A HA 0.531 4.852 4.320 0.001 0.000 0.279 229 A C 0.593 178.230 177.584 0.088 0.000 1.165 229 A CA -0.018 52.118 52.037 0.165 0.000 0.824 229 A CB 0.197 19.423 19.000 0.377 0.000 1.100 229 A HN 0.310 nan 8.150 nan 0.000 0.516 230 I N 5.060 125.659 120.570 0.048 0.000 2.437 230 I HA 0.226 4.396 4.170 0.001 0.000 0.279 230 I C -2.422 173.706 176.117 0.018 0.000 1.028 230 I CA -2.172 59.135 61.300 0.011 0.000 1.142 230 I CB 2.093 40.083 38.000 -0.016 0.000 1.266 230 I HN 0.401 nan 8.210 nan 0.000 0.461 231 P HA -0.017 nan 4.420 nan 0.000 0.261 231 P C 0.214 177.528 177.300 0.023 0.000 1.183 231 P CA 0.307 63.429 63.100 0.036 0.000 0.761 231 P CB 0.879 32.658 31.700 0.130 0.000 0.785 232 K N 3.090 123.500 120.400 0.016 0.000 2.172 232 K HA 0.360 4.681 4.320 0.001 0.000 0.203 232 K C 0.311 176.925 176.600 0.023 0.000 1.040 232 K CA 0.577 56.871 56.287 0.011 0.000 0.974 232 K CB 0.387 32.890 32.500 0.005 0.000 0.857 232 K HN 0.517 nan 8.250 nan 0.000 0.464 233 A N -0.027 122.816 122.820 0.038 0.000 2.586 233 A HA 0.537 4.858 4.320 0.001 0.000 0.290 233 A C -1.776 175.859 177.584 0.086 0.000 1.086 233 A CA -0.707 51.367 52.037 0.062 0.000 0.665 233 A CB 1.781 20.807 19.000 0.043 0.000 1.279 233 A HN -0.069 nan 8.150 nan 0.000 0.423 234 V N 0.745 120.741 119.914 0.136 0.000 2.483 234 V HA 0.513 4.634 4.120 0.001 0.000 0.297 234 V C -0.578 175.638 176.094 0.204 0.000 1.027 234 V CA -0.569 61.824 62.300 0.155 0.000 0.855 234 V CB 1.435 33.411 31.823 0.254 0.000 0.995 234 V HN 0.728 nan 8.190 nan 0.000 0.424 235 V N 4.773 124.744 119.914 0.094 0.000 2.427 235 V HA 0.390 4.511 4.120 0.001 0.000 0.286 235 V C 0.217 176.279 176.094 -0.053 0.000 1.034 235 V CA -0.737 61.600 62.300 0.063 0.000 0.893 235 V CB 1.684 33.516 31.823 0.014 0.000 0.982 235 V HN 0.834 nan 8.190 nan 0.000 0.452 236 K N 4.435 124.738 120.400 -0.162 0.000 2.248 236 K HA 0.354 4.674 4.320 0.001 0.000 0.281 236 K C -0.042 176.443 176.600 -0.192 0.000 1.054 236 K CA -0.250 55.799 56.287 -0.397 0.000 0.903 236 K CB 0.502 32.553 32.500 -0.747 0.000 1.077 236 K HN 0.782 nan 8.250 nan 0.000 0.474 237 N N 0.885 119.488 118.700 -0.161 0.000 2.495 237 N HA 0.048 4.789 4.740 0.001 0.000 0.280 237 N C 0.978 176.432 175.510 -0.093 0.000 1.168 237 N CA -0.437 52.553 53.050 -0.099 0.000 0.978 237 N CB 1.226 39.665 38.487 -0.080 0.000 1.191 237 N HN 0.589 nan 8.380 nan 0.000 0.497 238 T N -2.112 112.404 114.554 -0.063 0.000 2.737 238 T HA -0.244 4.107 4.350 0.001 0.000 0.269 238 T C 1.041 175.710 174.700 -0.051 0.000 1.040 238 T CA 1.494 63.564 62.100 -0.050 0.000 1.142 238 T CB -0.324 68.523 68.868 -0.035 0.000 0.861 238 T HN 0.718 nan 8.240 nan 0.000 0.456 239 D N 1.035 121.403 120.400 -0.054 0.000 2.328 239 D HA 0.220 4.860 4.640 0.001 0.000 0.226 239 D C 1.617 177.879 176.300 -0.063 0.000 1.066 239 D CA 0.588 54.558 54.000 -0.051 0.000 0.861 239 D CB -0.524 40.250 40.800 -0.043 0.000 0.912 239 D HN 0.622 nan 8.370 nan 0.000 0.521 240 G N 0.564 109.314 108.800 -0.084 0.000 2.217 240 G HA2 -0.312 3.648 3.960 0.001 0.000 0.246 240 G HA3 -0.312 3.648 3.960 0.001 0.000 0.246 240 G C 0.510 175.338 174.900 -0.120 0.000 0.990 240 G CA 0.443 45.480 45.100 -0.105 0.000 0.627 240 G HN 0.748 nan 8.290 nan 0.000 0.522 241 S N -0.027 115.612 115.700 -0.103 0.000 2.634 241 S HA 0.779 5.249 4.470 0.001 0.000 0.261 241 S C 0.131 174.651 174.600 -0.132 0.000 1.271 241 S CA -0.384 57.757 58.200 -0.099 0.000 0.985 241 S CB 1.530 64.689 63.200 -0.069 0.000 0.968 241 S HN 0.882 nan 8.310 nan 0.000 0.568 242 L N 0.468 121.619 121.223 -0.120 0.000 2.365 242 L HA 0.525 4.865 4.340 0.001 0.000 0.273 242 L C -0.478 176.334 176.870 -0.097 0.000 1.000 242 L CA -0.753 54.008 54.840 -0.132 0.000 0.819 242 L CB 2.181 44.163 42.059 -0.128 0.000 1.284 242 L HN 0.619 nan 8.230 nan 0.000 0.418 243 T N 3.351 117.855 114.554 -0.084 0.000 2.756 243 T HA 0.421 4.771 4.350 0.001 0.000 0.290 243 T C -0.446 174.200 174.700 -0.089 0.000 0.985 243 T CA -0.343 61.709 62.100 -0.080 0.000 0.955 243 T CB 1.333 70.166 68.868 -0.058 0.000 0.930 243 T HN 0.245 nan 8.240 nan 0.000 0.451 244 L N 4.294 125.425 121.223 -0.153 0.000 2.319 244 L HA 0.358 4.698 4.340 0.001 0.000 0.280 244 L C 0.043 176.818 176.870 -0.158 0.000 1.099 244 L CA 0.133 54.852 54.840 -0.201 0.000 0.828 244 L CB 0.296 42.097 42.059 -0.429 0.000 1.150 244 L HN 0.573 nan 8.230 nan 0.000 0.442 245 E N 6.078 126.223 120.200 -0.091 0.000 2.134 245 E HA 0.393 4.743 4.350 0.001 0.000 0.278 245 E C -1.005 175.566 176.600 -0.049 0.000 0.959 245 E CA -0.517 55.849 56.400 -0.056 0.000 0.783 245 E CB 1.418 31.105 29.700 -0.021 0.000 1.095 245 E HN 0.555 nan 8.360 nan 0.000 0.399 246 L N 2.405 123.606 121.223 -0.037 0.000 2.399 246 L HA 0.204 4.545 4.340 0.001 0.000 0.265 246 L C 1.512 178.384 176.870 0.005 0.000 1.089 246 L CA -0.574 54.261 54.840 -0.009 0.000 0.802 246 L CB 0.771 42.846 42.059 0.026 0.000 1.180 246 L HN 0.536 nan 8.230 nan 0.000 0.454 247 E N 1.424 121.630 120.200 0.010 0.000 2.086 247 E HA -0.258 4.092 4.350 0.001 0.000 0.200 247 E C 1.252 177.860 176.600 0.013 0.000 1.012 247 E CA 1.962 58.367 56.400 0.009 0.000 0.812 247 E CB -0.040 29.664 29.700 0.008 0.000 0.743 247 E HN 0.778 nan 8.360 nan 0.000 0.453 248 D N -2.016 118.396 120.400 0.020 0.000 2.363 248 D HA 0.054 4.694 4.640 0.001 0.000 0.226 248 D C 1.252 177.564 176.300 0.021 0.000 1.020 248 D CA 0.894 54.907 54.000 0.023 0.000 0.892 248 D CB 0.048 40.867 40.800 0.031 0.000 0.900 248 D HN 0.288 nan 8.370 nan 0.000 0.531 249 G N -0.081 108.729 108.800 0.016 0.000 2.234 249 G HA2 -0.313 3.648 3.960 0.001 0.000 0.235 249 G HA3 -0.313 3.648 3.960 0.001 0.000 0.235 249 G C 0.433 175.340 174.900 0.012 0.000 0.997 249 G CA -0.134 44.973 45.100 0.012 0.000 0.623 249 G HN 0.465 nan 8.290 nan 0.000 0.514 250 R N 1.144 121.658 120.500 0.023 0.000 2.694 250 R HA 0.542 4.883 4.340 0.001 0.000 0.268 250 R C 0.761 177.059 176.300 -0.002 0.000 1.061 250 R CA 0.947 57.060 56.100 0.022 0.000 1.133 250 R CB 0.780 31.111 30.300 0.051 0.000 1.020 250 R HN 0.621 nan 8.270 nan 0.000 0.475 251 S N 0.020 115.706 115.700 -0.024 0.000 2.651 251 S HA 0.675 5.145 4.470 0.001 0.000 0.279 251 S C -1.281 173.269 174.600 -0.083 0.000 1.148 251 S CA -0.995 57.171 58.200 -0.057 0.000 0.837 251 S CB 2.441 65.612 63.200 -0.048 0.000 1.138 251 S HN 0.474 nan 8.310 nan 0.000 0.478 252 E N -0.154 119.975 120.200 -0.119 0.000 2.347 252 E HA 0.543 4.893 4.350 0.001 0.000 0.285 252 E C -1.723 174.812 176.600 -0.109 0.000 0.925 252 E CA -0.158 56.158 56.400 -0.141 0.000 0.779 252 E CB 2.227 31.830 29.700 -0.161 0.000 1.233 252 E HN 0.713 nan 8.360 nan 0.000 0.414 253 T N 2.755 117.271 114.554 -0.064 0.000 2.794 253 T HA 0.693 5.044 4.350 0.001 0.000 0.280 253 T C -0.469 174.230 174.700 -0.001 0.000 0.987 253 T CA -0.444 61.631 62.100 -0.042 0.000 0.993 253 T CB 0.746 69.593 68.868 -0.034 0.000 0.939 253 T HN 0.403 nan 8.240 nan 0.000 0.449 254 V N 0.398 120.303 119.914 -0.014 0.000 3.165 254 V HA 0.609 4.729 4.120 0.001 0.000 0.309 254 V C -0.304 175.772 176.094 -0.030 0.000 1.267 254 V CA -0.898 61.410 62.300 0.013 0.000 1.067 254 V CB 2.083 33.932 31.823 0.042 0.000 1.082 254 V HN 0.621 nan 8.190 nan 0.000 0.451 255 D N -0.514 119.868 120.400 -0.029 0.000 2.338 255 D HA 0.195 4.836 4.640 0.001 0.000 0.208 255 D C 0.240 176.505 176.300 -0.058 0.000 0.997 255 D CA 1.243 55.213 54.000 -0.051 0.000 0.880 255 D CB 1.165 41.933 40.800 -0.053 0.000 0.980 255 D HN 0.660 nan 8.370 nan 0.000 0.509 256 C N 1.316 120.585 119.300 -0.051 0.000 2.642 256 C HA 0.609 5.070 4.460 0.001 0.000 0.344 256 C C -1.544 173.398 174.990 -0.081 0.000 1.110 256 C CA -0.959 58.026 59.018 -0.055 0.000 1.298 256 C CB 0.218 27.937 27.740 -0.035 0.000 1.827 256 C HN 0.160 nan 8.230 nan 0.000 0.467 257 L N 7.403 128.540 121.223 -0.145 0.000 2.298 257 L HA 0.727 5.068 4.340 0.001 0.000 0.284 257 L C -0.692 175.977 176.870 -0.336 0.000 1.013 257 L CA -0.134 54.537 54.840 -0.282 0.000 0.824 257 L CB 0.960 42.758 42.059 -0.434 0.000 1.221 257 L HN 0.668 nan 8.230 nan 0.000 0.418 258 I N 4.697 125.123 120.570 -0.239 0.000 2.312 258 I HA 0.211 4.381 4.170 0.001 0.000 0.290 258 I C -0.853 175.192 176.117 -0.121 0.000 1.008 258 I CA -0.372 60.852 61.300 -0.127 0.000 1.226 258 I CB 0.629 38.632 38.000 0.005 0.000 1.371 258 I HN 0.611 nan 8.210 nan 0.000 0.468 259 W N 5.721 127.097 121.300 0.126 0.000 2.356 259 W HA 0.449 5.110 4.660 0.001 0.000 0.311 259 W C 0.502 177.082 176.519 0.103 0.000 1.328 259 W CA -0.533 56.886 57.345 0.122 0.000 1.251 259 W CB 0.752 30.326 29.460 0.189 0.000 1.280 259 W HN 0.555 nan 8.180 nan 0.000 0.524 260 A N 4.931 127.939 122.820 0.314 0.000 3.129 260 A HA 0.295 4.616 4.320 0.001 0.000 0.282 260 A C 0.298 178.003 177.584 0.201 0.000 0.948 260 A CA -0.477 51.689 52.037 0.215 0.000 1.027 260 A CB -0.783 18.317 19.000 0.166 0.000 1.123 260 A HN 0.775 nan 8.150 nan 0.000 0.485 261 I N -3.571 117.114 120.570 0.192 0.000 3.904 261 I HA 0.627 4.798 4.170 0.001 0.000 0.333 261 I C 0.642 176.826 176.117 0.112 0.000 1.361 261 I CA 0.284 61.675 61.300 0.153 0.000 1.116 261 I CB 0.196 38.272 38.000 0.128 0.000 1.028 261 I HN 0.458 nan 8.210 nan 0.000 0.398 262 G N 1.001 109.867 108.800 0.109 0.000 2.347 262 G HA2 0.124 4.085 3.960 0.001 0.000 0.477 262 G HA3 0.124 4.085 3.960 0.001 0.000 0.477 262 G C -1.336 173.604 174.900 0.066 0.000 1.349 262 G CA -1.187 43.973 45.100 0.100 0.000 1.000 262 G HN 0.258 nan 8.290 nan 0.000 0.605 263 R N 0.355 120.904 120.500 0.082 0.000 2.621 263 R HA 0.505 4.845 4.340 0.001 0.000 0.292 263 R C -0.015 176.327 176.300 0.070 0.000 0.969 263 R CA -0.790 55.351 56.100 0.069 0.000 0.887 263 R CB 2.046 32.403 30.300 0.095 0.000 1.180 263 R HN 0.802 nan 8.270 nan 0.000 0.450 264 E N 3.587 123.795 120.200 0.013 0.000 2.250 264 E HA 0.472 4.822 4.350 0.001 0.000 0.269 264 E C -2.428 174.140 176.600 -0.053 0.000 1.018 264 E CA -2.271 54.100 56.400 -0.050 0.000 0.873 264 E CB 1.419 31.074 29.700 -0.074 0.000 1.134 264 E HN 0.190 nan 8.360 nan 0.000 0.403 265 P HA 0.098 nan 4.420 nan 0.000 0.278 265 P C -0.905 176.374 177.300 -0.034 0.000 1.238 265 P CA -0.421 62.620 63.100 -0.099 0.000 0.794 265 P CB 1.209 32.725 31.700 -0.307 0.000 0.955 266 A N 3.286 126.126 122.820 0.034 0.000 3.094 266 A HA 0.222 4.542 4.320 0.001 0.000 0.288 266 A C 0.572 178.197 177.584 0.069 0.000 1.519 266 A CA -0.326 51.748 52.037 0.061 0.000 1.227 266 A CB -1.169 17.885 19.000 0.090 0.000 1.175 266 A HN 0.436 nan 8.150 nan 0.000 0.568 267 N N 0.366 119.094 118.700 0.047 0.000 2.159 267 N HA -0.039 4.701 4.740 0.001 0.000 0.217 267 N C 0.615 176.168 175.510 0.073 0.000 1.223 267 N CA 0.588 53.674 53.050 0.061 0.000 0.896 267 N CB 0.509 39.020 38.487 0.040 0.000 1.064 267 N HN 0.762 nan 8.380 nan 0.000 0.518 268 D N 0.056 120.496 120.400 0.067 0.000 2.234 268 D HA -0.043 4.598 4.640 0.001 0.000 0.205 268 D C 0.590 176.951 176.300 0.101 0.000 0.962 268 D CA 0.776 54.814 54.000 0.063 0.000 0.855 268 D CB -0.444 40.376 40.800 0.033 0.000 0.951 268 D HN 0.119 nan 8.370 nan 0.000 0.500 269 N N -0.011 118.788 118.700 0.165 0.000 2.230 269 N HA 0.193 4.933 4.740 0.001 0.000 0.202 269 N C 1.158 176.844 175.510 0.294 0.000 1.119 269 N CA -0.128 53.052 53.050 0.218 0.000 0.851 269 N CB 0.406 39.035 38.487 0.236 0.000 0.990 269 N HN 0.349 nan 8.380 nan 0.000 0.497 270 I N -2.840 117.859 120.570 0.215 0.000 3.861 270 I HA 0.176 4.347 4.170 0.001 0.000 0.329 270 I C 0.147 176.401 176.117 0.228 0.000 1.321 270 I CA -0.235 61.159 61.300 0.158 0.000 1.126 270 I CB -0.267 37.759 38.000 0.042 0.000 1.018 270 I HN 0.081 nan 8.210 nan 0.000 0.407 271 N N 1.985 120.804 118.700 0.199 0.000 2.696 271 N HA -0.187 4.554 4.740 0.001 0.000 0.256 271 N C 0.633 176.268 175.510 0.207 0.000 1.031 271 N CA 0.013 53.169 53.050 0.177 0.000 0.730 271 N CB -0.528 38.057 38.487 0.165 0.000 0.894 271 N HN 0.568 nan 8.380 nan 0.000 0.544 272 L N 0.324 121.639 121.223 0.153 0.000 2.131 272 L HA -0.210 4.131 4.340 0.001 0.000 0.210 272 L C 2.420 179.239 176.870 -0.085 0.000 1.092 272 L CA 2.008 56.849 54.840 0.002 0.000 0.759 272 L CB -0.374 41.682 42.059 -0.004 0.000 0.903 272 L HN 0.539 nan 8.230 nan 0.000 0.435 273 E N 0.716 120.905 120.200 -0.018 0.000 2.118 273 E HA -0.232 4.119 4.350 0.001 0.000 0.195 273 E C 2.121 178.697 176.600 -0.041 0.000 0.992 273 E CA 1.341 57.725 56.400 -0.028 0.000 0.804 273 E CB -0.471 29.230 29.700 0.001 0.000 0.741 273 E HN 0.346 nan 8.360 nan 0.000 0.458 274 A N 1.484 124.294 122.820 -0.016 0.000 1.883 274 A HA -0.066 4.254 4.320 0.001 0.000 0.217 274 A C 2.523 180.067 177.584 -0.067 0.000 1.186 274 A CA 2.286 54.319 52.037 -0.006 0.000 0.624 274 A CB -1.072 17.964 19.000 0.061 0.000 0.822 274 A HN 0.472 nan 8.150 nan 0.000 0.444 275 A N -2.252 120.452 122.820 -0.194 0.000 2.167 275 A HA 0.384 4.704 4.320 0.001 0.000 0.214 275 A C 1.958 179.391 177.584 -0.251 0.000 1.151 275 A CA 1.338 53.175 52.037 -0.333 0.000 0.735 275 A CB -0.907 17.575 19.000 -0.864 0.000 0.802 275 A HN 2.008 nan 8.150 nan 0.000 0.467 276 G N -1.409 107.282 108.800 -0.182 0.000 2.143 276 G HA2 -0.205 3.755 3.960 0.001 0.000 0.249 276 G HA3 -0.205 3.755 3.960 0.001 0.000 0.249 276 G C 0.225 175.048 174.900 -0.128 0.000 0.981 276 G CA 0.173 45.198 45.100 -0.124 0.000 0.665 276 G HN 0.777 nan 8.290 nan 0.000 0.528 277 V N 0.438 120.246 119.914 -0.177 0.000 2.740 277 V HA 0.309 4.430 4.120 0.001 0.000 0.303 277 V C 0.954 177.004 176.094 -0.074 0.000 1.054 277 V CA 0.350 62.566 62.300 -0.140 0.000 1.106 277 V CB 1.384 33.094 31.823 -0.189 0.000 0.957 277 V HN 0.342 nan 8.190 nan 0.000 0.486 278 K N 2.504 122.877 120.400 -0.044 0.000 2.159 278 K HA 0.554 4.874 4.320 0.001 0.000 0.266 278 K C 0.050 176.651 176.600 0.003 0.000 0.975 278 K CA -0.400 55.875 56.287 -0.019 0.000 0.865 278 K CB 1.553 34.045 32.500 -0.014 0.000 1.087 278 K HN 0.931 nan 8.250 nan 0.000 0.446 279 T N -0.682 113.878 114.554 0.011 0.000 2.942 279 T HA 0.367 4.718 4.350 0.001 0.000 0.289 279 T C 0.004 174.725 174.700 0.036 0.000 1.044 279 T CA -1.119 61.001 62.100 0.032 0.000 1.023 279 T CB 1.120 70.001 68.868 0.022 0.000 1.123 279 T HN 0.614 nan 8.240 nan 0.000 0.512 280 N N 0.316 119.053 118.700 0.063 0.000 2.495 280 N HA 0.175 4.915 4.740 0.001 0.000 0.294 280 N C 1.200 176.735 175.510 0.041 0.000 1.276 280 N CA -0.690 52.394 53.050 0.057 0.000 0.973 280 N CB 0.205 38.745 38.487 0.088 0.000 1.143 280 N HN 0.748 nan 8.380 nan 0.000 0.589 281 E N -0.764 119.459 120.200 0.039 0.000 2.265 281 E HA -0.192 4.158 4.350 0.001 0.000 0.196 281 E C 0.750 177.357 176.600 0.012 0.000 0.996 281 E CA 1.221 57.634 56.400 0.022 0.000 0.832 281 E CB -0.217 29.497 29.700 0.024 0.000 0.756 281 E HN 0.492 nan 8.360 nan 0.000 0.491 282 K N 0.228 120.647 120.400 0.033 0.000 2.361 282 K HA 0.053 4.374 4.320 0.001 0.000 0.196 282 K C 1.053 177.546 176.600 -0.178 0.000 1.039 282 K CA 0.806 57.081 56.287 -0.020 0.000 1.001 282 K CB 0.079 32.651 32.500 0.121 0.000 0.795 282 K HN 0.389 nan 8.250 nan 0.000 0.495 283 G N 0.263 108.994 108.800 -0.114 0.000 2.179 283 G HA2 -0.244 3.716 3.960 0.001 0.000 0.220 283 G HA3 -0.244 3.716 3.960 0.001 0.000 0.220 283 G C -0.236 174.553 174.900 -0.186 0.000 0.990 283 G CA -0.068 44.939 45.100 -0.155 0.000 0.646 283 G HN 0.198 nan 8.290 nan 0.000 0.517 284 Y N 0.270 120.580 120.300 0.016 0.000 2.326 284 Y HA 0.581 5.131 4.550 0.001 0.000 0.333 284 Y C 1.539 177.447 175.900 0.014 0.000 1.240 284 Y CA -0.666 57.443 58.100 0.016 0.000 1.365 284 Y CB 0.555 39.020 38.460 0.008 0.000 1.289 284 Y HN 0.133 nan 8.280 nan 0.000 0.548 285 I N 2.777 123.462 120.570 0.192 0.000 2.471 285 I HA 0.037 4.207 4.170 0.001 0.000 0.286 285 I C -0.511 175.663 176.117 0.096 0.000 1.079 285 I CA -0.283 61.084 61.300 0.111 0.000 1.398 285 I CB 0.410 38.470 38.000 0.100 0.000 1.403 285 I HN 0.228 nan 8.210 nan 0.000 0.530 286 V N 7.889 127.839 119.914 0.061 0.000 2.470 286 V HA 0.168 4.289 4.120 0.001 0.000 0.276 286 V C 0.254 176.365 176.094 0.029 0.000 1.040 286 V CA -0.273 62.048 62.300 0.035 0.000 1.008 286 V CB 0.920 32.757 31.823 0.024 0.000 0.990 286 V HN 0.546 nan 8.190 nan 0.000 0.477 287 V N 1.840 121.764 119.914 0.016 0.000 3.001 287 V HA 0.790 4.910 4.120 0.001 0.000 0.314 287 V C -0.370 175.729 176.094 0.009 0.000 1.099 287 V CA -1.006 61.315 62.300 0.034 0.000 0.989 287 V CB 2.070 33.928 31.823 0.059 0.000 1.040 287 V HN 0.774 nan 8.190 nan 0.000 0.434 288 D N 1.381 121.805 120.400 0.039 0.000 2.478 288 D HA 0.168 4.809 4.640 0.001 0.000 0.274 288 D C 0.987 177.276 176.300 -0.020 0.000 1.234 288 D CA -0.417 53.591 54.000 0.014 0.000 1.069 288 D CB 0.725 41.565 40.800 0.066 0.000 1.113 288 D HN 0.684 nan 8.370 nan 0.000 0.571 289 K N -1.464 118.871 120.400 -0.110 0.000 2.286 289 K HA -0.183 4.137 4.320 0.001 0.000 0.203 289 K C 0.490 176.890 176.600 -0.332 0.000 1.045 289 K CA 1.165 57.299 56.287 -0.255 0.000 0.935 289 K CB -0.194 32.031 32.500 -0.458 0.000 0.737 289 K HN 0.422 nan 8.250 nan 0.000 0.460 290 Y N 0.314 120.666 120.300 0.086 0.000 2.636 290 Y HA 0.177 4.727 4.550 0.001 0.000 0.260 290 Y C -0.004 175.958 175.900 0.103 0.000 1.177 290 Y CA -0.541 57.612 58.100 0.089 0.000 1.209 290 Y CB 0.781 39.261 38.460 0.033 0.000 1.166 290 Y HN 0.030 nan 8.280 nan 0.000 0.531 291 Q N -1.061 118.864 119.800 0.209 0.000 2.465 291 Q HA -0.216 4.125 4.340 0.001 0.000 0.248 291 Q C -1.027 175.145 176.000 0.286 0.000 0.819 291 Q CA 0.517 56.447 55.803 0.212 0.000 1.219 291 Q CB -2.263 26.597 28.738 0.203 0.000 1.472 291 Q HN 0.501 nan 8.270 nan 0.000 0.630 292 N N 1.493 120.362 118.700 0.283 0.000 2.529 292 N HA 0.247 4.988 4.740 0.001 0.000 0.278 292 N C 0.822 176.410 175.510 0.131 0.000 1.146 292 N CA 0.642 53.857 53.050 0.276 0.000 0.980 292 N CB 1.109 39.736 38.487 0.233 0.000 1.124 292 N HN 0.354 nan 8.380 nan 0.000 0.458 293 T N -1.444 113.140 114.554 0.051 0.000 2.833 293 T HA 0.101 4.451 4.350 0.001 0.000 0.292 293 T C 1.351 176.046 174.700 -0.009 0.000 1.031 293 T CA -0.642 61.463 62.100 0.008 0.000 0.937 293 T CB 0.374 69.219 68.868 -0.038 0.000 1.256 293 T HN 0.534 nan 8.240 nan 0.000 0.551 294 N N -0.057 118.629 118.700 -0.024 0.000 2.550 294 N HA -0.031 4.709 4.740 0.001 0.000 0.186 294 N C 0.153 175.634 175.510 -0.048 0.000 1.110 294 N CA 0.300 53.335 53.050 -0.026 0.000 0.912 294 N CB -0.330 38.141 38.487 -0.026 0.000 0.968 294 N HN 0.488 nan 8.380 nan 0.000 0.448 295 I N 1.706 122.228 120.570 -0.081 0.000 2.412 295 I HA 0.230 4.401 4.170 0.001 0.000 0.296 295 I C -0.200 175.845 176.117 -0.120 0.000 0.987 295 I CA -1.043 60.197 61.300 -0.101 0.000 1.180 295 I CB 1.406 39.322 38.000 -0.140 0.000 1.340 295 I HN -0.110 nan 8.210 nan 0.000 0.455 296 E N 3.614 123.761 120.200 -0.088 0.000 2.324 296 E HA 0.451 4.802 4.350 0.001 0.000 0.271 296 E C 1.044 177.573 176.600 -0.117 0.000 1.028 296 E CA 0.384 56.742 56.400 -0.071 0.000 0.890 296 E CB 0.276 29.957 29.700 -0.032 0.000 1.004 296 E HN 0.858 nan 8.360 nan 0.000 0.431 297 G N 2.585 111.282 108.800 -0.173 0.000 2.175 297 G HA2 -0.267 3.694 3.960 0.001 0.000 0.244 297 G HA3 -0.267 3.694 3.960 0.001 0.000 0.244 297 G C 0.129 174.704 174.900 -0.542 0.000 0.982 297 G CA -0.199 44.769 45.100 -0.221 0.000 0.641 297 G HN 0.454 nan 8.290 nan 0.000 0.527 298 I N 0.693 120.883 120.570 -0.634 0.000 2.406 298 I HA 0.604 4.775 4.170 0.001 0.000 0.290 298 I C -0.138 175.585 176.117 -0.656 0.000 0.999 298 I CA -1.279 59.710 61.300 -0.518 0.000 1.124 298 I CB 1.260 39.130 38.000 -0.216 0.000 1.289 298 I HN 0.037 nan 8.210 nan 0.000 0.441 299 Y N 4.122 124.527 120.300 0.174 0.000 2.621 299 Y HA 0.859 5.409 4.550 0.001 0.000 0.334 299 Y C 0.120 176.108 175.900 0.148 0.000 1.074 299 Y CA -1.252 56.941 58.100 0.155 0.000 1.149 299 Y CB 1.744 40.314 38.460 0.183 0.000 1.302 299 Y HN 0.533 nan 8.280 nan 0.000 0.501 300 A N 0.823 123.815 122.820 0.286 0.000 2.488 300 A HA 0.774 5.095 4.320 0.001 0.000 0.295 300 A C -1.333 176.358 177.584 0.179 0.000 1.045 300 A CA -0.561 51.596 52.037 0.201 0.000 0.703 300 A CB 0.888 19.977 19.000 0.149 0.000 1.271 300 A HN 1.009 nan 8.150 nan 0.000 0.400 301 V N -0.189 119.818 119.914 0.155 0.000 3.155 301 V HA 1.037 5.158 4.120 0.001 0.000 0.313 301 V C 0.629 176.790 176.094 0.112 0.000 1.162 301 V CA 0.127 62.510 62.300 0.137 0.000 1.048 301 V CB 0.890 32.791 31.823 0.131 0.000 1.092 301 V HN 2.931 nan 8.190 nan 0.000 0.447 302 G N 1.257 110.122 108.800 0.108 0.000 2.568 302 G HA2 -0.186 3.774 3.960 0.001 0.000 0.222 302 G HA3 -0.186 3.774 3.960 0.001 0.000 0.222 302 G C -0.038 174.911 174.900 0.082 0.000 1.321 302 G CA 0.547 45.700 45.100 0.088 0.000 0.893 302 G HN 0.983 nan 8.290 nan 0.000 0.569 303 D N 1.197 121.648 120.400 0.085 0.000 2.219 303 D HA -0.076 4.564 4.640 0.001 0.000 0.205 303 D C 2.243 178.653 176.300 0.183 0.000 0.970 303 D CA 1.567 55.630 54.000 0.104 0.000 0.851 303 D CB -0.289 40.577 40.800 0.109 0.000 0.943 303 D HN 0.564 nan 8.370 nan 0.000 0.488 304 N N 0.473 119.280 118.700 0.179 0.000 2.609 304 N HA -0.111 4.630 4.740 0.001 0.000 0.190 304 N C 1.220 176.917 175.510 0.312 0.000 1.157 304 N CA 1.231 54.430 53.050 0.249 0.000 0.918 304 N CB -0.758 37.822 38.487 0.154 0.000 0.978 304 N HN 0.249 nan 8.380 nan 0.000 0.448 305 T N -5.425 109.228 114.554 0.165 0.000 3.037 305 T HA 0.379 4.729 4.350 0.001 0.000 0.251 305 T C 1.429 176.034 174.700 -0.158 0.000 1.079 305 T CA 0.442 62.583 62.100 0.069 0.000 1.067 305 T CB -0.127 68.758 68.868 0.028 0.000 0.948 305 T HN 0.352 nan 8.240 nan 0.000 0.496 306 G N 1.198 109.746 108.800 -0.419 0.000 2.176 306 G HA2 0.018 3.978 3.960 0.001 0.000 0.232 306 G HA3 0.018 3.978 3.960 0.001 0.000 0.232 306 G C 0.378 175.001 174.900 -0.461 0.000 0.986 306 G CA -0.065 44.453 45.100 -0.970 0.000 0.643 306 G HN 1.061 nan 8.290 nan 0.000 0.522 307 A N -0.431 122.231 122.820 -0.264 0.000 2.292 307 A HA 0.694 5.015 4.320 0.001 0.000 0.265 307 A C 1.177 178.712 177.584 -0.081 0.000 1.133 307 A CA 0.503 52.429 52.037 -0.185 0.000 0.807 307 A CB 0.512 19.451 19.000 -0.102 0.000 1.102 307 A HN 1.554 nan 8.150 nan 0.000 0.502 308 V N 0.755 120.675 119.914 0.009 0.000 2.493 308 V HA 0.018 4.139 4.120 0.001 0.000 0.292 308 V C 0.424 176.525 176.094 0.012 0.000 1.016 308 V CA 0.344 62.654 62.300 0.017 0.000 1.097 308 V CB -0.218 31.640 31.823 0.059 0.000 0.947 308 V HN 0.798 nan 8.190 nan 0.000 0.479 309 E N 7.867 128.051 120.200 -0.026 0.000 1.791 309 E HA 0.302 4.652 4.350 0.001 0.000 0.263 309 E C -0.791 175.777 176.600 -0.054 0.000 1.213 309 E CA 0.084 56.469 56.400 -0.026 0.000 0.991 309 E CB 0.112 29.797 29.700 -0.025 0.000 1.068 309 E HN 0.536 nan 8.360 nan 0.000 0.417 310 L N 1.132 122.344 121.223 -0.017 0.000 2.482 310 L HA 0.197 4.538 4.340 0.001 0.000 0.263 310 L C 1.245 178.118 176.870 0.006 0.000 0.957 310 L CA -0.638 54.190 54.840 -0.020 0.000 0.836 310 L CB 2.037 44.087 42.059 -0.016 0.000 1.324 310 L HN 0.204 nan 8.230 nan 0.000 0.406 311 T N 1.449 116.010 114.554 0.011 0.000 2.622 311 T HA -0.089 4.261 4.350 0.001 0.000 0.266 311 T C -1.047 173.661 174.700 0.013 0.000 1.047 311 T CA 2.009 64.121 62.100 0.019 0.000 1.159 311 T CB -0.504 68.381 68.868 0.027 0.000 0.863 311 T HN 0.493 nan 8.240 nan 0.000 0.422 312 P HA -0.030 nan 4.420 nan 0.000 0.217 312 P C 1.514 178.797 177.300 -0.029 0.000 1.148 312 P CA 0.638 63.734 63.100 -0.007 0.000 0.828 312 P CB -0.178 31.518 31.700 -0.007 0.000 0.783 313 V N -0.124 119.773 119.914 -0.029 0.000 2.427 313 V HA -0.203 3.917 4.120 0.001 0.000 0.248 313 V C 2.429 178.513 176.094 -0.017 0.000 1.051 313 V CA 2.145 64.413 62.300 -0.052 0.000 1.048 313 V CB -1.633 30.184 31.823 -0.008 0.000 0.666 313 V HN 0.115 nan 8.190 nan 0.000 0.456 314 A N -0.351 122.479 122.820 0.017 0.000 1.929 314 A HA -0.080 4.240 4.320 0.001 0.000 0.216 314 A C 2.358 179.950 177.584 0.014 0.000 1.176 314 A CA 1.564 53.622 52.037 0.035 0.000 0.628 314 A CB -0.471 18.553 19.000 0.039 0.000 0.816 314 A HN 0.315 nan 8.150 nan 0.000 0.444 315 V N -0.058 119.855 119.914 -0.003 0.000 2.295 315 V HA -0.244 3.877 4.120 0.001 0.000 0.246 315 V C 3.037 179.118 176.094 -0.022 0.000 1.049 315 V CA 2.052 64.344 62.300 -0.014 0.000 1.024 315 V CB -1.158 30.655 31.823 -0.017 0.000 0.648 315 V HN 0.590 nan 8.190 nan 0.000 0.447 316 A N -0.316 122.478 122.820 -0.044 0.000 1.929 316 A HA 0.034 4.355 4.320 0.001 0.000 0.216 316 A C 2.365 179.909 177.584 -0.067 0.000 1.176 316 A CA 1.762 53.758 52.037 -0.068 0.000 0.628 316 A CB -0.652 18.281 19.000 -0.111 0.000 0.816 316 A HN 0.544 nan 8.150 nan 0.000 0.444 317 A N -0.444 122.340 122.820 -0.061 0.000 1.929 317 A HA 0.205 4.526 4.320 0.001 0.000 0.216 317 A C 2.355 179.960 177.584 0.035 0.000 1.176 317 A CA 1.702 53.732 52.037 -0.011 0.000 0.628 317 A CB -1.243 17.795 19.000 0.062 0.000 0.816 317 A HN 0.651 nan 8.150 nan 0.000 0.444 318 G N -0.620 108.205 108.800 0.041 0.000 2.418 318 G HA2 -0.234 3.727 3.960 0.001 0.000 0.217 318 G HA3 -0.234 3.727 3.960 0.001 0.000 0.217 318 G C 1.777 176.714 174.900 0.060 0.000 1.158 318 G CA 1.017 46.154 45.100 0.063 0.000 0.771 318 G HN 0.521 nan 8.290 nan 0.000 0.545 319 R N 0.004 120.524 120.500 0.032 0.000 2.066 319 R HA 0.067 4.407 4.340 0.001 0.000 0.232 319 R C 2.801 179.125 176.300 0.039 0.000 1.131 319 R CA 0.911 57.032 56.100 0.035 0.000 0.955 319 R CB -0.182 30.122 30.300 0.006 0.000 0.851 319 R HN 0.225 nan 8.270 nan 0.000 0.432 320 R N 0.168 120.676 120.500 0.012 0.000 2.120 320 R HA -0.145 4.196 4.340 0.001 0.000 0.234 320 R C 2.236 178.535 176.300 -0.002 0.000 1.123 320 R CA 1.089 57.193 56.100 0.006 0.000 0.975 320 R CB -0.343 29.947 30.300 -0.017 0.000 0.866 320 R HN 0.187 nan 8.270 nan 0.000 0.446 321 L N 0.381 121.598 121.223 -0.010 0.000 2.056 321 L HA -0.100 4.241 4.340 0.001 0.000 0.207 321 L C 1.906 178.660 176.870 -0.194 0.000 1.078 321 L CA 1.812 56.594 54.840 -0.098 0.000 0.749 321 L CB -0.314 41.705 42.059 -0.066 0.000 0.901 321 L HN -0.051 nan 8.230 nan 0.000 0.433 322 S N -0.514 115.162 115.700 -0.040 0.000 2.383 322 S HA -0.116 4.354 4.470 0.001 0.000 0.227 322 S C 1.763 176.392 174.600 0.049 0.000 1.026 322 S CA 0.911 59.139 58.200 0.046 0.000 0.981 322 S CB -0.303 63.067 63.200 0.282 0.000 0.818 322 S HN 0.486 nan 8.310 nan 0.000 0.472 323 E N 1.454 121.695 120.200 0.068 0.000 2.049 323 E HA -0.203 4.148 4.350 0.001 0.000 0.198 323 E C 2.210 178.740 176.600 -0.117 0.000 1.007 323 E CA 1.056 57.470 56.400 0.023 0.000 0.809 323 E CB -0.365 29.355 29.700 0.033 0.000 0.749 323 E HN 0.466 nan 8.360 nan 0.000 0.450 324 R N 0.673 121.085 120.500 -0.147 0.000 2.083 324 R HA -0.123 4.217 4.340 0.001 0.000 0.237 324 R C 2.540 178.629 176.300 -0.352 0.000 1.137 324 R CA 1.325 57.304 56.100 -0.201 0.000 0.951 324 R CB -0.246 29.959 30.300 -0.158 0.000 0.851 324 R HN 0.139 nan 8.270 nan 0.000 0.434 325 L N -0.941 119.921 121.223 -0.602 0.000 2.162 325 L HA 0.017 4.357 4.340 0.001 0.000 0.205 325 L C 1.032 177.351 176.870 -0.918 0.000 1.086 325 L CA 0.734 54.972 54.840 -1.003 0.000 0.778 325 L CB 0.077 41.011 42.059 -1.874 0.000 0.928 325 L HN 0.192 nan 8.230 nan 0.000 0.446 326 F N -2.246 117.571 119.950 -0.222 0.000 2.781 326 F HA 0.210 4.737 4.527 0.001 0.000 0.322 326 F C 1.068 176.726 175.800 -0.236 0.000 1.108 326 F CA -0.393 57.504 58.000 -0.172 0.000 1.179 326 F CB -0.097 38.854 39.000 -0.082 0.000 1.072 326 F HN -0.007 nan 8.300 nan 0.000 0.545 327 N N 0.561 119.134 118.700 -0.213 0.000 2.466 327 N HA 0.011 4.752 4.740 0.001 0.000 0.272 327 N C -0.355 174.993 175.510 -0.269 0.000 1.455 327 N CA 0.160 52.943 53.050 -0.445 0.000 0.875 327 N CB 0.077 38.040 38.487 -0.875 0.000 1.372 327 N HN -0.057 nan 8.380 nan 0.000 0.492 328 N N 1.415 120.002 118.700 -0.187 0.000 2.740 328 N HA -0.150 4.590 4.740 0.001 0.000 0.248 328 N C -1.124 174.315 175.510 -0.119 0.000 1.062 328 N CA 1.014 53.980 53.050 -0.140 0.000 0.704 328 N CB -0.808 37.610 38.487 -0.115 0.000 0.968 328 N HN 0.558 nan 8.380 nan 0.000 0.547 329 K N 0.562 120.890 120.400 -0.119 0.000 2.533 329 K HA 0.188 4.508 4.320 0.001 0.000 0.207 329 K C -1.551 174.999 176.600 -0.083 0.000 1.052 329 K CA -1.406 54.834 56.287 -0.079 0.000 1.030 329 K CB 1.411 33.876 32.500 -0.057 0.000 1.522 329 K HN 0.010 nan 8.250 nan 0.000 0.543 330 P HA -0.158 nan 4.420 nan 0.000 0.226 330 P C 0.176 177.372 177.300 -0.173 0.000 1.146 330 P CA 1.261 64.270 63.100 -0.151 0.000 0.773 330 P CB 0.393 32.007 31.700 -0.143 0.000 0.772 331 D N -1.167 119.203 120.400 -0.050 0.000 2.433 331 D HA 0.025 4.665 4.640 0.001 0.000 0.211 331 D C 0.426 176.919 176.300 0.321 0.000 1.114 331 D CA -0.141 53.905 54.000 0.077 0.000 0.837 331 D CB 0.098 40.948 40.800 0.084 0.000 0.984 331 D HN -0.049 nan 8.370 nan 0.000 0.505 332 E N 0.623 120.943 120.200 0.199 0.000 2.413 332 E HA 0.178 4.528 4.350 0.001 0.000 0.263 332 E C -0.203 176.608 176.600 0.352 0.000 1.015 332 E CA 0.675 57.200 56.400 0.209 0.000 0.916 332 E CB 0.756 30.499 29.700 0.071 0.000 0.947 332 E HN 0.558 nan 8.360 nan 0.000 0.440 333 H N -0.938 118.180 119.070 0.080 0.000 3.020 333 H HA 0.309 4.865 4.556 0.001 0.000 0.303 333 H C -1.591 173.717 175.328 -0.033 0.000 1.332 333 H CA -1.002 55.070 56.048 0.041 0.000 1.282 333 H CB 0.056 29.785 29.762 -0.056 0.000 1.928 333 H HN 0.296 nan 8.280 nan 0.000 0.519 334 L N 1.839 122.908 121.223 -0.256 0.000 2.380 334 L HA 0.287 4.627 4.340 0.001 0.000 0.273 334 L C -0.205 176.406 176.870 -0.432 0.000 1.138 334 L CA 0.195 54.792 54.840 -0.405 0.000 0.832 334 L CB 0.706 42.463 42.059 -0.504 0.000 1.124 334 L HN 0.812 nan 8.230 nan 0.000 0.454 335 D N 3.009 123.166 120.400 -0.405 0.000 2.339 335 D HA 0.075 4.715 4.640 0.001 0.000 0.241 335 D C -0.266 175.905 176.300 -0.216 0.000 1.183 335 D CA 0.175 54.046 54.000 -0.216 0.000 0.859 335 D CB 0.286 40.992 40.800 -0.157 0.000 1.067 335 D HN 0.456 nan 8.370 nan 0.000 0.484 336 Y N 1.973 122.239 120.300 -0.056 0.000 2.506 336 Y HA 0.114 4.664 4.550 0.001 0.000 0.333 336 Y C 0.622 176.500 175.900 -0.038 0.000 1.177 336 Y CA -0.158 57.914 58.100 -0.045 0.000 1.292 336 Y CB -0.176 38.259 38.460 -0.041 0.000 1.124 336 Y HN 0.229 nan 8.280 nan 0.000 0.507 337 S N -1.488 114.237 115.700 0.042 0.000 2.542 337 S HA 0.412 4.882 4.470 0.001 0.000 0.293 337 S C -0.231 174.368 174.600 -0.003 0.000 1.089 337 S CA -1.022 57.197 58.200 0.032 0.000 0.961 337 S CB 1.547 64.768 63.200 0.035 0.000 1.062 337 S HN 0.324 nan 8.310 nan 0.000 0.483 338 N N 0.023 118.722 118.700 -0.003 0.000 2.758 338 N HA -0.128 4.612 4.740 0.001 0.000 0.248 338 N C -1.023 174.471 175.510 -0.027 0.000 1.076 338 N CA 0.614 53.653 53.050 -0.017 0.000 0.696 338 N CB -1.561 36.916 38.487 -0.016 0.000 0.979 338 N HN 0.809 nan 8.380 nan 0.000 0.550 339 I N 1.779 122.335 120.570 -0.023 0.000 2.396 339 I HA 0.176 4.346 4.170 0.001 0.000 0.289 339 I C -1.429 174.678 176.117 -0.017 0.000 1.056 339 I CA -1.408 59.875 61.300 -0.028 0.000 1.365 339 I CB 0.843 38.830 38.000 -0.021 0.000 1.407 339 I HN -0.065 nan 8.210 nan 0.000 0.509 340 P HA 0.232 nan 4.420 nan 0.000 0.278 340 P C -1.020 176.293 177.300 0.021 0.000 1.238 340 P CA -0.246 62.851 63.100 -0.005 0.000 0.794 340 P CB 1.033 32.731 31.700 -0.004 0.000 0.955 341 T N -0.002 114.576 114.554 0.041 0.000 2.893 341 T HA 0.458 4.809 4.350 0.001 0.000 0.293 341 T C -0.469 174.273 174.700 0.070 0.000 1.027 341 T CA -0.655 61.505 62.100 0.099 0.000 0.988 341 T CB 1.515 70.516 68.868 0.221 0.000 1.043 341 T HN 0.154 nan 8.240 nan 0.000 0.461 342 V N 2.540 122.463 119.914 0.014 0.000 2.487 342 V HA 0.462 4.583 4.120 0.001 0.000 0.298 342 V C -0.276 175.690 176.094 -0.212 0.000 1.028 342 V CA -0.753 61.433 62.300 -0.191 0.000 0.860 342 V CB 1.915 33.475 31.823 -0.437 0.000 0.991 342 V HN 0.838 nan 8.190 nan 0.000 0.427 343 V N 5.364 125.162 119.914 -0.194 0.000 2.465 343 V HA 0.359 4.480 4.120 0.001 0.000 0.279 343 V C -0.117 175.729 176.094 -0.413 0.000 1.045 343 V CA -0.297 61.917 62.300 -0.143 0.000 0.938 343 V CB 1.225 32.926 31.823 -0.204 0.000 0.986 343 V HN 0.726 nan 8.190 nan 0.000 0.467 344 F N 3.738 123.589 119.950 -0.166 0.000 2.669 344 F HA 0.247 4.774 4.527 0.001 0.000 0.353 344 F C 1.319 177.027 175.800 -0.153 0.000 1.192 344 F CA -0.193 57.545 58.000 -0.436 0.000 1.317 344 F CB -0.117 38.463 39.000 -0.700 0.000 1.652 344 F HN 0.599 nan 8.300 nan 0.000 0.608 345 S N -1.213 114.514 115.700 0.044 0.000 2.690 345 S HA 0.489 4.960 4.470 0.001 0.000 0.285 345 S C -0.724 174.046 174.600 0.283 0.000 1.135 345 S CA -0.744 57.573 58.200 0.194 0.000 1.020 345 S CB 0.809 64.028 63.200 0.033 0.000 1.159 345 S HN 0.324 nan 8.310 nan 0.000 0.534 346 H N 1.680 120.816 119.070 0.111 0.000 2.595 346 H HA 0.550 5.107 4.556 0.001 0.000 0.313 346 H C -2.262 173.068 175.328 0.003 0.000 1.023 346 H CA -1.416 54.673 56.048 0.068 0.000 1.218 346 H CB 0.959 30.768 29.762 0.078 0.000 1.403 346 H HN 0.485 nan 8.280 nan 0.000 0.477 347 P HA 0.169 nan 4.420 nan 0.000 0.277 347 P C -2.724 174.514 177.300 -0.103 0.000 1.271 347 P CA -1.747 61.252 63.100 -0.168 0.000 0.795 347 P CB 0.800 32.355 31.700 -0.241 0.000 1.101 348 P HA 0.289 nan 4.420 nan 0.000 0.275 348 P C -0.285 176.937 177.300 -0.131 0.000 1.228 348 P CA 0.159 63.168 63.100 -0.152 0.000 0.786 348 P CB 0.703 32.277 31.700 -0.210 0.000 0.927 349 I N 1.054 121.532 120.570 -0.153 0.000 2.460 349 I HA 0.544 4.714 4.170 0.001 0.000 0.298 349 I C 0.766 176.859 176.117 -0.040 0.000 0.989 349 I CA -0.411 60.856 61.300 -0.056 0.000 1.173 349 I CB 1.986 39.948 38.000 -0.064 0.000 1.338 349 I HN 0.365 nan 8.210 nan 0.000 0.456 350 G N 2.649 111.482 108.800 0.055 0.000 2.666 350 G HA2 0.590 4.551 3.960 0.001 0.000 0.303 350 G HA3 0.590 4.551 3.960 0.001 0.000 0.303 350 G C -1.184 173.782 174.900 0.110 0.000 1.412 350 G CA -0.307 44.830 45.100 0.062 0.000 0.979 350 G HN 0.464 nan 8.290 nan 0.000 0.507 351 T N -0.067 114.530 114.554 0.071 0.000 2.956 351 T HA 0.659 5.009 4.350 0.001 0.000 0.312 351 T C -1.654 172.993 174.700 -0.088 0.000 1.151 351 T CA -0.499 61.600 62.100 -0.001 0.000 1.024 351 T CB 1.908 70.851 68.868 0.124 0.000 1.140 351 T HN 1.237 nan 8.240 nan 0.000 0.473 352 V N 4.032 123.817 119.914 -0.215 0.000 2.789 352 V HA 0.802 4.922 4.120 0.001 0.000 0.300 352 V C 0.013 175.982 176.094 -0.209 0.000 1.184 352 V CA 1.097 63.308 62.300 -0.149 0.000 0.930 352 V CB 0.886 32.654 31.823 -0.093 0.000 1.041 352 V HN 1.771 nan 8.190 nan 0.000 0.430 353 G N 5.015 113.748 108.800 -0.111 0.000 2.500 353 G HA2 -0.061 3.900 3.960 0.001 0.000 0.209 353 G HA3 -0.061 3.900 3.960 0.001 0.000 0.209 353 G C -0.969 173.938 174.900 0.011 0.000 1.283 353 G CA -0.405 44.657 45.100 -0.063 0.000 0.960 353 G HN 1.194 nan 8.290 nan 0.000 0.528 354 L N 1.695 122.959 121.223 0.069 0.000 2.397 354 L HA 0.441 4.782 4.340 0.001 0.000 0.271 354 L C 1.835 178.848 176.870 0.239 0.000 1.148 354 L CA 0.022 54.935 54.840 0.123 0.000 0.825 354 L CB 0.982 43.120 42.059 0.132 0.000 1.117 354 L HN 1.018 nan 8.230 nan 0.000 0.456 355 T N -1.766 112.877 114.554 0.149 0.000 2.813 355 T HA 0.013 4.363 4.350 0.001 0.000 0.297 355 T C 0.978 175.687 174.700 0.015 0.000 1.036 355 T CA -0.490 61.612 62.100 0.003 0.000 1.044 355 T CB 1.230 70.057 68.868 -0.069 0.000 0.993 355 T HN 0.754 nan 8.240 nan 0.000 0.535 356 E N 1.066 121.234 120.200 -0.053 0.000 2.058 356 E HA -0.121 4.229 4.350 0.001 0.000 0.194 356 E C -0.757 175.848 176.600 0.009 0.000 0.997 356 E CA 1.270 57.667 56.400 -0.004 0.000 0.801 356 E CB -1.199 28.484 29.700 -0.027 0.000 0.746 356 E HN 0.565 nan 8.360 nan 0.000 0.450 357 P HA -0.198 nan 4.420 nan 0.000 0.216 357 P C 1.012 178.321 177.300 0.015 0.000 1.154 357 P CA 1.701 64.801 63.100 0.001 0.000 0.865 357 P CB -0.050 31.643 31.700 -0.012 0.000 0.789 358 Q N -1.158 118.655 119.800 0.021 0.000 2.079 358 Q HA -0.082 4.259 4.340 0.001 0.000 0.200 358 Q C 2.256 178.297 176.000 0.069 0.000 0.974 358 Q CA 1.605 57.425 55.803 0.029 0.000 0.840 358 Q CB -0.648 28.109 28.738 0.031 0.000 0.898 358 Q HN 0.168 nan 8.270 nan 0.000 0.430 359 A N 0.965 123.855 122.820 0.118 0.000 1.930 359 A HA -0.161 4.160 4.320 0.001 0.000 0.217 359 A C 1.916 179.628 177.584 0.214 0.000 1.175 359 A CA 1.120 53.297 52.037 0.234 0.000 0.627 359 A CB -0.279 18.823 19.000 0.171 0.000 0.815 359 A HN 0.197 nan 8.150 nan 0.000 0.443 360 R N -0.562 120.001 120.500 0.106 0.000 2.115 360 R HA -0.071 4.269 4.340 0.001 0.000 0.226 360 R C 2.008 178.343 176.300 0.058 0.000 1.100 360 R CA 1.373 57.520 56.100 0.077 0.000 0.980 360 R CB -0.188 30.136 30.300 0.039 0.000 0.875 360 R HN 0.655 nan 8.270 nan 0.000 0.445 361 E N 0.588 120.809 120.200 0.034 0.000 2.046 361 E HA -0.203 4.148 4.350 0.001 0.000 0.190 361 E C 2.055 178.637 176.600 -0.030 0.000 0.982 361 E CA 1.001 57.401 56.400 0.000 0.000 0.800 361 E CB 0.135 29.827 29.700 -0.014 0.000 0.756 361 E HN 0.258 nan 8.360 nan 0.000 0.449 362 Q N -0.654 119.109 119.800 -0.062 0.000 2.049 362 Q HA -0.142 4.198 4.340 0.001 0.000 0.198 362 Q C 1.132 176.961 176.000 -0.285 0.000 0.971 362 Q CA 1.369 57.032 55.803 -0.233 0.000 0.833 362 Q CB 0.134 28.649 28.738 -0.372 0.000 0.896 362 Q HN 0.348 nan 8.270 nan 0.000 0.434 363 Y N -0.997 119.300 120.300 -0.005 0.000 2.458 363 Y HA 0.366 4.917 4.550 0.002 0.000 0.254 363 Y C 0.672 176.569 175.900 -0.005 0.000 1.120 363 Y CA 0.318 58.415 58.100 -0.004 0.000 1.282 363 Y CB 1.286 39.744 38.460 -0.004 0.000 1.109 363 Y HN 0.216 nan 8.280 nan 0.000 0.526 364 G N 0.848 109.729 108.800 0.135 0.000 2.785 364 G HA2 -0.210 3.750 3.960 0.001 0.000 0.686 364 G HA3 -0.210 3.750 3.960 0.001 0.000 0.686 364 G C -0.032 174.909 174.900 0.069 0.000 1.155 364 G CA -0.260 44.887 45.100 0.077 0.000 0.760 364 G HN 0.239 nan 8.290 nan 0.000 0.624 365 D N 1.026 121.449 120.400 0.039 0.000 2.190 365 D HA -0.126 4.514 4.640 0.001 0.000 0.200 365 D C 1.595 177.902 176.300 0.012 0.000 0.992 365 D CA 2.003 56.016 54.000 0.022 0.000 0.854 365 D CB 0.112 40.919 40.800 0.011 0.000 0.936 365 D HN 0.662 nan 8.370 nan 0.000 0.462 366 D N -0.191 120.218 120.400 0.015 0.000 2.349 366 D HA -0.028 4.612 4.640 0.001 0.000 0.215 366 D C 1.866 178.166 176.300 -0.000 0.000 1.016 366 D CA 0.299 54.301 54.000 0.004 0.000 0.870 366 D CB 0.175 40.979 40.800 0.006 0.000 0.917 366 D HN 0.043 nan 8.370 nan 0.000 0.524 367 Q N 0.068 119.874 119.800 0.010 0.000 2.391 367 Q HA 0.123 4.463 4.340 0.001 0.000 0.211 367 Q C 0.098 176.069 176.000 -0.048 0.000 0.908 367 Q CA 0.303 56.101 55.803 -0.009 0.000 0.920 367 Q CB 1.049 29.808 28.738 0.034 0.000 1.056 367 Q HN 0.196 nan 8.270 nan 0.000 0.523 368 V N 2.492 122.391 119.914 -0.026 0.000 2.406 368 V HA 0.209 4.329 4.120 0.001 0.000 0.272 368 V C -0.058 176.007 176.094 -0.049 0.000 1.043 368 V CA -0.538 61.737 62.300 -0.042 0.000 0.915 368 V CB 1.211 33.035 31.823 0.002 0.000 0.988 368 V HN -0.015 nan 8.190 nan 0.000 0.466 369 K N 4.919 125.284 120.400 -0.059 0.000 2.394 369 K HA 0.621 4.942 4.320 0.001 0.000 0.260 369 K C -1.331 175.214 176.600 -0.090 0.000 0.967 369 K CA -0.341 55.892 56.287 -0.090 0.000 0.855 369 K CB 1.669 34.128 32.500 -0.068 0.000 1.101 369 K HN 0.407 nan 8.250 nan 0.000 0.433 370 V N 5.507 125.334 119.914 -0.145 0.000 2.483 370 V HA 0.448 4.568 4.120 0.001 0.000 0.295 370 V C -0.881 175.078 176.094 -0.225 0.000 1.035 370 V CA -0.708 61.548 62.300 -0.075 0.000 0.896 370 V CB 0.897 32.699 31.823 -0.034 0.000 0.986 370 V HN 0.647 nan 8.190 nan 0.000 0.447 371 Y N 2.945 123.259 120.300 0.024 0.000 2.420 371 Y HA 0.673 5.222 4.550 -0.002 0.000 0.334 371 Y C 0.276 176.211 175.900 0.058 0.000 1.094 371 Y CA -0.723 57.397 58.100 0.034 0.000 1.126 371 Y CB 1.806 40.289 38.460 0.038 0.000 1.217 371 Y HN 0.455 nan 8.280 nan 0.000 0.462 372 K N 1.138 121.643 120.400 0.174 0.000 2.501 372 K HA 0.616 4.937 4.320 0.001 0.000 0.252 372 K C -1.333 175.330 176.600 0.105 0.000 0.934 372 K CA -0.670 55.692 56.287 0.124 0.000 0.797 372 K CB 2.338 34.881 32.500 0.072 0.000 1.270 372 K HN 0.579 nan 8.250 nan 0.000 0.431 373 S N 0.706 116.458 115.700 0.086 0.000 2.548 373 S HA 0.640 5.110 4.470 0.001 0.000 0.286 373 S C -1.618 173.078 174.600 0.159 0.000 1.098 373 S CA -0.496 57.755 58.200 0.086 0.000 0.930 373 S CB 1.752 64.958 63.200 0.011 0.000 1.070 373 S HN 0.440 nan 8.310 nan 0.000 0.480 374 S N 2.388 118.216 115.700 0.213 0.000 2.548 374 S HA 0.893 5.363 4.470 0.001 0.000 0.276 374 S C -1.478 173.342 174.600 0.366 0.000 1.129 374 S CA -0.593 57.742 58.200 0.226 0.000 0.931 374 S CB 0.463 63.729 63.200 0.111 0.000 1.068 374 S HN 0.725 nan 8.310 nan 0.000 0.480 375 F N -0.043 119.915 119.950 0.013 0.000 3.090 375 F HA 0.704 5.232 4.527 0.001 0.000 0.324 375 F C -0.808 175.016 175.800 0.040 0.000 1.189 375 F CA -1.006 57.007 58.000 0.022 0.000 0.907 375 F CB 0.670 39.680 39.000 0.016 0.000 1.445 375 F HN 0.291 nan 8.300 nan 0.000 0.500 376 T N 1.531 116.095 114.554 0.016 0.000 2.794 376 T HA 0.713 5.064 4.350 0.001 0.000 0.280 376 T C -0.114 174.531 174.700 -0.092 0.000 0.987 376 T CA -0.132 61.927 62.100 -0.068 0.000 0.993 376 T CB 1.230 70.115 68.868 0.029 0.000 0.939 376 T HN 0.908 nan 8.240 nan 0.000 0.449 377 A N 3.945 126.686 122.820 -0.131 0.000 2.524 377 A HA 0.190 4.510 4.320 0.001 0.000 0.250 377 A C 1.595 179.190 177.584 0.019 0.000 1.078 377 A CA -0.172 51.844 52.037 -0.035 0.000 0.761 377 A CB -0.230 18.832 19.000 0.103 0.000 1.012 377 A HN 1.084 nan 8.150 nan 0.000 0.500 378 M N 2.791 122.441 119.600 0.084 0.000 2.279 378 M HA -0.152 4.329 4.480 0.001 0.000 0.264 378 M C 1.498 177.822 176.300 0.040 0.000 1.062 378 M CA 1.850 57.192 55.300 0.069 0.000 1.099 378 M CB -0.235 32.419 32.600 0.090 0.000 1.394 378 M HN 0.986 nan 8.290 nan 0.000 0.426 379 Y N 0.677 120.852 120.300 -0.209 0.000 2.242 379 Y HA -0.202 4.347 4.550 -0.000 0.000 0.291 379 Y C 2.486 178.223 175.900 -0.271 0.000 1.137 379 Y CA 2.105 60.027 58.100 -0.296 0.000 1.181 379 Y CB -0.554 37.494 38.460 -0.686 0.000 0.989 379 Y HN 0.422 nan 8.280 nan 0.000 0.527 380 T N -2.720 111.641 114.554 -0.322 0.000 3.057 380 T HA 0.193 4.543 4.350 0.001 0.000 0.254 380 T C 2.053 176.705 174.700 -0.080 0.000 1.094 380 T CA 0.488 62.456 62.100 -0.219 0.000 1.088 380 T CB -0.603 68.238 68.868 -0.046 0.000 0.934 380 T HN 0.276 nan 8.240 nan 0.000 0.497 381 A N 1.975 124.754 122.820 -0.067 0.000 1.978 381 A HA 0.038 4.359 4.320 0.001 0.000 0.220 381 A C 2.343 179.873 177.584 -0.090 0.000 1.170 381 A CA 1.793 53.803 52.037 -0.045 0.000 0.636 381 A CB -0.971 18.023 19.000 -0.011 0.000 0.810 381 A HN 1.011 nan 8.150 nan 0.000 0.448 382 V N -2.157 117.657 119.914 -0.167 0.000 3.421 382 V HA 0.274 4.394 4.120 0.001 0.000 0.316 382 V C 0.627 176.557 176.094 -0.274 0.000 1.347 382 V CA 0.730 62.886 62.300 -0.240 0.000 1.183 382 V CB -1.468 30.143 31.823 -0.352 0.000 1.092 382 V HN 0.620 nan 8.190 nan 0.000 0.433 383 T N -2.639 111.811 114.554 -0.173 0.000 2.807 383 T HA 0.425 4.775 4.350 0.001 0.000 0.277 383 T C 0.866 175.503 174.700 -0.105 0.000 1.006 383 T CA 0.412 62.450 62.100 -0.103 0.000 1.006 383 T CB 1.483 70.399 68.868 0.080 0.000 1.274 383 T HN 0.449 nan 8.240 nan 0.000 0.569 384 T N -1.570 112.870 114.554 -0.189 0.000 3.188 384 T HA 0.203 4.554 4.350 0.001 0.000 0.250 384 T C 0.196 174.603 174.700 -0.488 0.000 1.077 384 T CA -0.086 61.817 62.100 -0.329 0.000 0.967 384 T CB -0.552 68.087 68.868 -0.381 0.000 1.006 384 T HN 0.735 nan 8.240 nan 0.000 0.552 385 H N 1.530 120.619 119.070 0.032 0.000 2.471 385 H HA 0.378 4.935 4.556 0.001 0.000 0.234 385 H C 0.051 175.464 175.328 0.141 0.000 1.388 385 H CA -0.638 55.451 56.048 0.069 0.000 1.198 385 H CB 0.272 30.049 29.762 0.026 0.000 1.714 385 H HN 0.296 nan 8.280 nan 0.000 0.536 386 R N 1.246 121.815 120.500 0.115 0.000 2.623 386 R HA 0.132 4.472 4.340 0.001 0.000 0.271 386 R C 0.243 176.619 176.300 0.126 0.000 1.043 386 R CA 0.491 56.645 56.100 0.091 0.000 1.083 386 R CB 0.995 31.313 30.300 0.030 0.000 0.974 386 R HN 0.425 nan 8.270 nan 0.000 0.436 387 Q N 3.164 123.039 119.800 0.125 0.000 2.359 387 Q HA 0.394 4.734 4.340 0.001 0.000 0.274 387 Q C -2.521 173.517 176.000 0.063 0.000 1.074 387 Q CA -2.218 53.674 55.803 0.148 0.000 0.810 387 Q CB 2.811 31.726 28.738 0.294 0.000 1.342 387 Q HN 0.331 nan 8.270 nan 0.000 0.427 388 P HA 0.193 nan 4.420 nan 0.000 0.278 388 P C -0.914 176.299 177.300 -0.144 0.000 1.238 388 P CA -0.320 62.740 63.100 -0.067 0.000 0.794 388 P CB 0.924 32.607 31.700 -0.028 0.000 0.955 389 C N 3.445 122.528 119.300 -0.362 0.000 2.322 389 C HA 0.464 4.924 4.460 0.001 0.000 0.324 389 C C 0.526 175.367 174.990 -0.248 0.000 1.249 389 C CA -0.524 58.249 59.018 -0.410 0.000 1.453 389 C CB 0.315 27.521 27.740 -0.890 0.000 2.145 389 C HN 0.516 nan 8.230 nan 0.000 0.466 390 R N 3.263 123.722 120.500 -0.068 0.000 2.514 390 R HA 0.793 5.133 4.340 0.001 0.000 0.301 390 R C -0.892 175.442 176.300 0.056 0.000 0.962 390 R CA -0.402 55.711 56.100 0.022 0.000 0.882 390 R CB 1.694 32.011 30.300 0.029 0.000 1.143 390 R HN 0.649 nan 8.270 nan 0.000 0.452 391 M N 1.829 121.465 119.600 0.060 0.000 2.518 391 M HA 0.458 4.938 4.480 0.001 0.000 0.300 391 M C -0.814 175.574 176.300 0.146 0.000 1.175 391 M CA -0.691 54.623 55.300 0.025 0.000 0.890 391 M CB 2.924 35.245 32.600 -0.465 0.000 1.710 391 M HN 0.344 nan 8.290 nan 0.000 0.453 392 K N 2.619 123.241 120.400 0.369 0.000 2.525 392 K HA 0.638 4.958 4.320 0.001 0.000 0.254 392 K C -2.262 174.607 176.600 0.447 0.000 0.934 392 K CA -0.545 55.952 56.287 0.350 0.000 0.802 392 K CB 2.042 34.690 32.500 0.246 0.000 1.295 392 K HN 0.769 nan 8.250 nan 0.000 0.433 393 L N 4.087 125.517 121.223 0.345 0.000 2.313 393 L HA 0.468 4.809 4.340 0.001 0.000 0.283 393 L C -0.748 176.227 176.870 0.174 0.000 1.013 393 L CA -1.207 53.746 54.840 0.188 0.000 0.816 393 L CB 1.967 44.084 42.059 0.097 0.000 1.236 393 L HN 0.367 nan 8.230 nan 0.000 0.419 394 V N 2.635 122.613 119.914 0.106 0.000 2.350 394 V HA 0.330 4.450 4.120 0.001 0.000 0.276 394 V C -0.080 176.016 176.094 0.002 0.000 1.028 394 V CA -0.482 61.866 62.300 0.080 0.000 0.860 394 V CB 1.340 33.230 31.823 0.111 0.000 0.990 394 V HN 0.810 nan 8.190 nan 0.000 0.453 395 C N 4.744 124.046 119.300 0.003 0.000 2.454 395 C HA 0.895 5.355 4.460 0.001 0.000 0.336 395 C C 0.158 175.075 174.990 -0.121 0.000 1.189 395 C CA -0.651 58.335 59.018 -0.053 0.000 1.877 395 C CB 1.489 29.253 27.740 0.041 0.000 2.348 395 C HN 0.826 nan 8.230 nan 0.000 0.508 396 V N 0.113 119.909 119.914 -0.197 0.000 2.925 396 V HA 1.033 5.153 4.120 0.001 0.000 0.311 396 V C 0.051 176.032 176.094 -0.188 0.000 1.104 396 V CA 0.505 62.637 62.300 -0.280 0.000 0.954 396 V CB 0.818 32.242 31.823 -0.665 0.000 1.022 396 V HN 1.994 nan 8.190 nan 0.000 0.427 397 G N 3.314 112.029 108.800 -0.141 0.000 2.804 397 G HA2 -0.116 3.845 3.960 0.001 0.000 0.230 397 G HA3 -0.116 3.845 3.960 0.001 0.000 0.230 397 G C 0.773 175.644 174.900 -0.048 0.000 1.386 397 G CA 0.593 45.646 45.100 -0.077 0.000 0.875 397 G HN 2.361 nan 8.290 nan 0.000 0.557 398 S N -0.659 115.024 115.700 -0.029 0.000 2.383 398 S HA -0.106 4.365 4.470 0.001 0.000 0.227 398 S C 1.830 176.421 174.600 -0.016 0.000 1.026 398 S CA 2.132 60.323 58.200 -0.016 0.000 0.981 398 S CB -0.302 62.892 63.200 -0.009 0.000 0.818 398 S HN 0.952 nan 8.310 nan 0.000 0.472 399 E N 1.627 121.812 120.200 -0.025 0.000 2.268 399 E HA 0.006 4.357 4.350 0.001 0.000 0.195 399 E C 0.210 176.786 176.600 -0.039 0.000 0.995 399 E CA 0.543 56.927 56.400 -0.027 0.000 0.836 399 E CB -0.948 28.735 29.700 -0.030 0.000 0.763 399 E HN 0.701 nan 8.360 nan 0.000 0.491 400 E N 0.527 120.698 120.200 -0.048 0.000 2.246 400 E HA -0.205 4.145 4.350 0.001 0.000 0.211 400 E C -0.524 176.017 176.600 -0.099 0.000 1.278 400 E CA 0.241 56.607 56.400 -0.056 0.000 0.694 400 E CB -0.903 28.787 29.700 -0.017 0.000 1.166 400 E HN 0.179 nan 8.360 nan 0.000 0.370 401 K N 1.500 121.834 120.400 -0.110 0.000 2.416 401 K HA 0.161 4.482 4.320 0.001 0.000 0.283 401 K C 0.241 176.748 176.600 -0.155 0.000 1.037 401 K CA -0.102 56.114 56.287 -0.119 0.000 0.995 401 K CB 0.407 32.845 32.500 -0.103 0.000 0.938 401 K HN 0.259 nan 8.250 nan 0.000 0.475 402 I N 5.390 125.847 120.570 -0.188 0.000 2.452 402 I HA -0.060 4.111 4.170 0.001 0.000 0.287 402 I C 1.348 177.375 176.117 -0.151 0.000 1.079 402 I CA -0.173 60.992 61.300 -0.226 0.000 1.387 402 I CB 0.857 38.614 38.000 -0.405 0.000 1.404 402 I HN 0.423 nan 8.210 nan 0.000 0.522 403 V N 2.587 122.432 119.914 -0.115 0.000 3.477 403 V HA 0.584 4.704 4.120 0.001 0.000 0.297 403 V C 0.484 176.557 176.094 -0.035 0.000 1.433 403 V CA 0.083 62.349 62.300 -0.056 0.000 1.052 403 V CB 0.223 32.025 31.823 -0.034 0.000 0.895 403 V HN 0.772 nan 8.190 nan 0.000 0.438 404 G N 0.524 109.282 108.800 -0.069 0.000 2.768 404 G HA2 0.694 4.655 3.960 0.001 0.000 0.297 404 G HA3 0.694 4.655 3.960 0.001 0.000 0.297 404 G C -1.553 173.196 174.900 -0.252 0.000 1.430 404 G CA -0.595 44.439 45.100 -0.111 0.000 1.030 404 G HN 0.214 nan 8.290 nan 0.000 0.553 405 I N 2.626 122.879 120.570 -0.529 0.000 2.512 405 I HA 0.456 4.627 4.170 0.001 0.000 0.287 405 I C -0.913 174.900 176.117 -0.507 0.000 1.069 405 I CA -0.830 60.209 61.300 -0.434 0.000 1.056 405 I CB 2.303 40.031 38.000 -0.454 0.000 1.229 405 I HN 0.444 nan 8.210 nan 0.000 0.429 406 H N 3.948 123.084 119.070 0.111 0.000 2.806 406 H HA 0.747 5.303 4.556 0.000 0.000 0.367 406 H C -0.484 175.042 175.328 0.329 0.000 1.136 406 H CA -0.916 55.239 56.048 0.179 0.000 1.178 406 H CB 2.879 32.722 29.762 0.135 0.000 1.718 406 H HN 0.810 nan 8.280 nan 0.000 0.540 407 G N 0.995 110.017 108.800 0.370 0.000 2.720 407 G HA2 0.485 4.446 3.960 0.001 0.000 0.295 407 G HA3 0.485 4.446 3.960 0.001 0.000 0.295 407 G C -1.756 173.241 174.900 0.162 0.000 1.437 407 G CA -0.639 44.630 45.100 0.281 0.000 0.886 407 G HN 0.591 nan 8.290 nan 0.000 0.509 408 I N 0.948 121.570 120.570 0.088 0.000 2.534 408 I HA 0.773 4.943 4.170 0.001 0.000 0.286 408 I C -0.205 175.908 176.117 -0.006 0.000 1.094 408 I CA -0.089 61.228 61.300 0.028 0.000 1.055 408 I CB 1.547 39.557 38.000 0.017 0.000 1.225 408 I HN 1.244 nan 8.210 nan 0.000 0.435 409 G N 5.136 113.922 108.800 -0.023 0.000 2.361 409 G HA2 0.236 4.197 3.960 0.001 0.000 0.299 409 G HA3 0.236 4.197 3.960 0.001 0.000 0.299 409 G C -1.293 173.601 174.900 -0.010 0.000 1.544 409 G CA -0.945 44.140 45.100 -0.025 0.000 0.860 409 G HN 0.415 nan 8.290 nan 0.000 0.610 410 F N 1.115 121.079 119.950 0.023 0.000 2.623 410 F HA 0.310 4.837 4.527 0.001 0.000 0.386 410 F C 1.834 177.676 175.800 0.070 0.000 1.068 410 F CA 2.631 60.660 58.000 0.048 0.000 1.265 410 F CB 1.014 40.025 39.000 0.018 0.000 1.026 410 F HN 1.552 nan 8.300 nan 0.000 0.568 411 G N 2.605 111.545 108.800 0.233 0.000 2.279 411 G HA2 -0.296 3.664 3.960 0.001 0.000 0.223 411 G HA3 -0.296 3.664 3.960 0.001 0.000 0.223 411 G C 1.088 176.087 174.900 0.165 0.000 1.015 411 G CA 0.134 45.355 45.100 0.202 0.000 0.621 411 G HN 0.440 nan 8.290 nan 0.000 0.506 412 M N 2.100 121.774 119.600 0.123 0.000 2.267 412 M HA 0.001 4.482 4.480 0.001 0.000 0.263 412 M C 2.270 178.594 176.300 0.041 0.000 1.063 412 M CA 2.176 57.538 55.300 0.104 0.000 1.090 412 M CB -1.042 31.591 32.600 0.056 0.000 1.392 412 M HN 0.667 nan 8.290 nan 0.000 0.422 413 D N -0.176 120.216 120.400 -0.015 0.000 2.103 413 D HA -0.168 4.473 4.640 0.001 0.000 0.199 413 D C 1.424 177.746 176.300 0.037 0.000 0.978 413 D CA 1.137 55.083 54.000 -0.091 0.000 0.829 413 D CB -0.542 40.185 40.800 -0.121 0.000 0.981 413 D HN 0.254 nan 8.370 nan 0.000 0.464 414 E N 0.160 120.419 120.200 0.098 0.000 2.385 414 E HA 0.027 4.378 4.350 0.001 0.000 0.194 414 E C 2.255 178.907 176.600 0.088 0.000 1.013 414 E CA 0.274 56.732 56.400 0.096 0.000 0.866 414 E CB -0.121 29.643 29.700 0.107 0.000 0.832 414 E HN 0.647 nan 8.360 nan 0.000 0.500 415 M N -1.204 118.476 119.600 0.133 0.000 2.388 415 M HA 0.078 4.559 4.480 0.001 0.000 0.265 415 M C 1.944 178.348 176.300 0.175 0.000 1.088 415 M CA 0.840 56.245 55.300 0.175 0.000 1.134 415 M CB -0.177 32.629 32.600 0.343 0.000 1.384 415 M HN -0.025 nan 8.290 nan 0.000 0.447 416 L N 1.334 122.662 121.223 0.175 0.000 2.131 416 L HA -0.135 4.205 4.340 0.001 0.000 0.210 416 L C 2.659 179.574 176.870 0.075 0.000 1.092 416 L CA 1.850 56.796 54.840 0.178 0.000 0.759 416 L CB -0.788 41.333 42.059 0.104 0.000 0.903 416 L HN 0.444 nan 8.230 nan 0.000 0.435 417 Q N -0.438 119.366 119.800 0.007 0.000 2.030 417 Q HA -0.145 4.195 4.340 0.001 0.000 0.204 417 Q C 2.153 178.103 176.000 -0.083 0.000 0.986 417 Q CA 2.175 57.961 55.803 -0.028 0.000 0.843 417 Q CB -0.976 27.745 28.738 -0.029 0.000 0.904 417 Q HN 0.495 nan 8.270 nan 0.000 0.420 418 G N -0.931 107.756 108.800 -0.188 0.000 2.446 418 G HA2 -0.249 3.711 3.960 0.001 0.000 0.217 418 G HA3 -0.249 3.711 3.960 0.001 0.000 0.217 418 G C 1.026 175.720 174.900 -0.342 0.000 1.168 418 G CA 0.870 45.780 45.100 -0.316 0.000 0.771 418 G HN 0.400 nan 8.290 nan 0.000 0.551 419 F N 1.695 121.584 119.950 -0.103 0.000 2.269 419 F HA 0.118 4.646 4.527 0.001 0.000 0.301 419 F C 2.867 178.641 175.800 -0.043 0.000 1.082 419 F CA 0.505 58.436 58.000 -0.116 0.000 1.360 419 F CB -0.315 38.590 39.000 -0.159 0.000 1.041 419 F HN 0.254 nan 8.300 nan 0.000 0.512 420 A N -0.676 122.195 122.820 0.086 0.000 2.123 420 A HA 0.059 4.380 4.320 0.001 0.000 0.214 420 A C 2.248 179.844 177.584 0.020 0.000 1.152 420 A CA 0.935 52.999 52.037 0.045 0.000 0.728 420 A CB -0.810 18.198 19.000 0.013 0.000 0.814 420 A HN 0.165 nan 8.150 nan 0.000 0.464 421 V N -0.309 119.602 119.914 -0.005 0.000 2.407 421 V HA -0.148 3.973 4.120 0.001 0.000 0.245 421 V C 2.990 179.090 176.094 0.010 0.000 1.041 421 V CA 1.703 63.992 62.300 -0.018 0.000 1.040 421 V CB -0.975 30.819 31.823 -0.049 0.000 0.671 421 V HN 0.551 nan 8.190 nan 0.000 0.455 422 A N -0.138 122.704 122.820 0.037 0.000 1.930 422 A HA -0.170 4.150 4.320 0.001 0.000 0.217 422 A C 2.170 179.836 177.584 0.136 0.000 1.175 422 A CA 1.926 54.025 52.037 0.103 0.000 0.627 422 A CB -0.508 18.602 19.000 0.183 0.000 0.815 422 A HN 0.469 nan 8.150 nan 0.000 0.443 423 L N -0.558 120.744 121.223 0.132 0.000 2.046 423 L HA -0.125 4.215 4.340 0.001 0.000 0.208 423 L C 2.286 179.175 176.870 0.032 0.000 1.077 423 L CA 2.453 57.336 54.840 0.071 0.000 0.747 423 L CB -0.303 41.779 42.059 0.037 0.000 0.896 423 L HN 0.251 nan 8.230 nan 0.000 0.432 424 K N -0.480 119.934 120.400 0.022 0.000 2.103 424 K HA -0.120 4.200 4.320 0.001 0.000 0.207 424 K C 1.893 178.499 176.600 0.010 0.000 1.048 424 K CA 1.742 58.032 56.287 0.005 0.000 0.930 424 K CB -0.242 32.254 32.500 -0.007 0.000 0.716 424 K HN 0.340 nan 8.250 nan 0.000 0.444 425 M N -0.695 118.917 119.600 0.021 0.000 2.659 425 M HA 0.078 4.558 4.480 0.001 0.000 0.243 425 M C 0.399 176.714 176.300 0.026 0.000 1.111 425 M CA 0.779 56.092 55.300 0.021 0.000 1.070 425 M CB 0.136 32.752 32.600 0.026 0.000 1.525 425 M HN 0.385 nan 8.290 nan 0.000 0.517 426 G N 1.541 110.355 108.800 0.023 0.000 2.289 426 G HA2 -0.162 3.798 3.960 0.001 0.000 0.280 426 G HA3 -0.162 3.798 3.960 0.001 0.000 0.280 426 G C 0.046 174.955 174.900 0.015 0.000 1.089 426 G CA 0.040 45.147 45.100 0.012 0.000 0.939 426 G HN 0.697 nan 8.290 nan 0.000 0.499 427 A N 0.011 122.857 122.820 0.042 0.000 2.425 427 A HA 0.793 5.114 4.320 0.001 0.000 0.242 427 A C 1.057 178.610 177.584 -0.053 0.000 1.077 427 A CA 1.107 53.182 52.037 0.064 0.000 0.781 427 A CB 0.378 19.528 19.000 0.250 0.000 1.020 427 A HN 1.851 nan 8.150 nan 0.000 0.494 428 T N -0.863 113.660 114.554 -0.051 0.000 2.949 428 T HA 0.457 4.808 4.350 0.001 0.000 0.287 428 T C 0.895 175.480 174.700 -0.192 0.000 1.034 428 T CA -0.306 61.724 62.100 -0.118 0.000 1.018 428 T CB 1.364 70.197 68.868 -0.058 0.000 1.135 428 T HN 0.625 nan 8.240 nan 0.000 0.532 429 K N 0.768 121.025 120.400 -0.238 0.000 2.103 429 K HA -0.129 4.192 4.320 0.001 0.000 0.207 429 K C 2.157 178.694 176.600 -0.105 0.000 1.048 429 K CA 1.629 57.744 56.287 -0.287 0.000 0.930 429 K CB -0.224 32.094 32.500 -0.303 0.000 0.716 429 K HN 0.658 nan 8.250 nan 0.000 0.444 430 K N 0.120 120.491 120.400 -0.048 0.000 2.211 430 K HA -0.192 4.129 4.320 0.001 0.000 0.204 430 K C 0.926 177.560 176.600 0.057 0.000 1.047 430 K CA 1.831 58.120 56.287 0.003 0.000 0.935 430 K CB -0.045 32.456 32.500 0.001 0.000 0.728 430 K HN 0.248 nan 8.250 nan 0.000 0.452 431 D N 0.135 120.592 120.400 0.095 0.000 2.123 431 D HA -0.122 4.518 4.640 0.001 0.000 0.200 431 D C 1.770 178.231 176.300 0.268 0.000 0.976 431 D CA 0.936 55.035 54.000 0.164 0.000 0.831 431 D CB -0.217 40.697 40.800 0.190 0.000 0.974 431 D HN 0.154 nan 8.370 nan 0.000 0.469 432 F N 1.895 121.844 119.950 -0.001 0.000 2.102 432 F HA -0.132 4.394 4.527 -0.001 0.000 0.298 432 F C 2.176 177.981 175.800 0.008 0.000 1.105 432 F CA 0.884 58.897 58.000 0.023 0.000 1.239 432 F CB -0.627 38.359 39.000 -0.023 0.000 0.991 432 F HN -0.088 nan 8.300 nan 0.000 0.474 433 D N -0.490 120.012 120.400 0.170 0.000 2.219 433 D HA -0.119 4.522 4.640 0.001 0.000 0.205 433 D C 1.587 177.920 176.300 0.055 0.000 0.970 433 D CA 0.804 54.849 54.000 0.076 0.000 0.851 433 D CB -0.448 40.368 40.800 0.027 0.000 0.943 433 D HN 0.236 nan 8.370 nan 0.000 0.488 434 N N 0.040 118.776 118.700 0.061 0.000 2.521 434 N HA -0.028 4.712 4.740 0.001 0.000 0.188 434 N C -0.089 175.441 175.510 0.032 0.000 1.146 434 N CA 0.356 53.430 53.050 0.039 0.000 0.893 434 N CB 0.254 38.763 38.487 0.037 0.000 0.975 434 N HN 0.029 nan 8.380 nan 0.000 0.451 435 T N 1.001 115.577 114.554 0.036 0.000 2.771 435 T HA 0.262 4.612 4.350 0.001 0.000 0.291 435 T C 0.489 175.198 174.700 0.015 0.000 0.954 435 T CA -0.463 61.646 62.100 0.014 0.000 1.045 435 T CB 1.984 70.849 68.868 -0.005 0.000 0.917 435 T HN -0.247 nan 8.240 nan 0.000 0.484 436 V N 3.504 123.423 119.914 0.007 0.000 2.694 436 V HA 0.271 4.392 4.120 0.001 0.000 0.306 436 V C 0.994 177.097 176.094 0.015 0.000 1.054 436 V CA -0.356 61.949 62.300 0.008 0.000 1.161 436 V CB 0.183 32.009 31.823 0.004 0.000 0.916 436 V HN 1.086 nan 8.190 nan 0.000 0.490 437 A N 6.141 128.973 122.820 0.020 0.000 2.346 437 A HA 0.654 4.974 4.320 0.001 0.000 0.252 437 A C -0.286 177.329 177.584 0.051 0.000 1.089 437 A CA -0.365 51.695 52.037 0.038 0.000 0.797 437 A CB 0.155 19.172 19.000 0.029 0.000 1.047 437 A HN 0.741 nan 8.150 nan 0.000 0.494 438 I N 0.802 121.415 120.570 0.072 0.000 2.362 438 I HA 0.287 4.457 4.170 0.001 0.000 0.289 438 I C -0.284 175.911 176.117 0.130 0.000 0.994 438 I CA -0.142 61.205 61.300 0.079 0.000 1.158 438 I CB 1.350 39.382 38.000 0.053 0.000 1.315 438 I HN 0.786 nan 8.210 nan 0.000 0.451 439 H N 7.312 126.389 119.070 0.012 0.000 2.529 439 H HA 0.616 5.172 4.556 0.001 0.000 0.348 439 H C -2.466 172.873 175.328 0.018 0.000 1.152 439 H CA -2.011 54.044 56.048 0.011 0.000 1.202 439 H CB 1.600 31.364 29.762 0.003 0.000 1.562 439 H HN 0.293 nan 8.280 nan 0.000 0.515 440 P HA 0.272 nan 4.420 nan 0.000 0.292 440 P C -1.332 175.917 177.300 -0.084 0.000 1.326 440 P CA -0.599 62.259 63.100 -0.402 0.000 0.787 440 P CB 1.045 32.459 31.700 -0.478 0.000 0.903 441 T N -1.701 112.864 114.554 0.019 0.000 2.896 441 T HA 0.642 4.993 4.350 0.001 0.000 0.297 441 T C 0.890 175.664 174.700 0.124 0.000 1.108 441 T CA -0.402 61.743 62.100 0.075 0.000 1.004 441 T CB 1.807 70.727 68.868 0.085 0.000 1.159 441 T HN 0.099 nan 8.240 nan 0.000 0.499 442 A N 1.236 124.177 122.820 0.201 0.000 1.902 442 A HA 0.288 4.609 4.320 0.001 0.000 0.217 442 A C 2.600 180.301 177.584 0.195 0.000 1.181 442 A CA 1.992 54.212 52.037 0.305 0.000 0.623 442 A CB -1.566 17.657 19.000 0.371 0.000 0.818 442 A HN 1.461 nan 8.150 nan 0.000 0.443 443 A N 1.183 124.135 122.820 0.219 0.000 1.894 443 A HA -0.346 3.974 4.320 0.001 0.000 0.220 443 A C 1.928 179.658 177.584 0.245 0.000 1.237 443 A CA 2.508 54.725 52.037 0.300 0.000 0.660 443 A CB -1.142 18.026 19.000 0.279 0.000 0.835 443 A HN 0.845 nan 8.150 nan 0.000 0.461 444 E N -0.757 119.533 120.200 0.151 0.000 2.339 444 E HA -0.265 4.085 4.350 0.001 0.000 0.201 444 E C 1.395 178.006 176.600 0.018 0.000 1.015 444 E CA 1.344 57.804 56.400 0.100 0.000 0.841 444 E CB -0.315 29.431 29.700 0.077 0.000 0.754 444 E HN 0.631 nan 8.360 nan 0.000 0.508 445 E N 0.360 120.504 120.200 -0.094 0.000 2.118 445 E HA -0.156 4.195 4.350 0.001 0.000 0.195 445 E C 1.629 178.139 176.600 -0.150 0.000 0.992 445 E CA 0.901 57.161 56.400 -0.232 0.000 0.804 445 E CB -0.312 29.128 29.700 -0.435 0.000 0.741 445 E HN 0.422 nan 8.360 nan 0.000 0.458 446 F N 0.251 120.167 119.950 -0.057 0.000 2.502 446 F HA -0.096 4.434 4.527 0.004 0.000 0.298 446 F C 2.156 177.966 175.800 0.016 0.000 1.111 446 F CA 0.664 58.609 58.000 -0.093 0.000 1.445 446 F CB -0.108 38.634 39.000 -0.431 0.000 1.081 446 F HN -0.099 nan 8.300 nan 0.000 0.558 447 V N -3.163 116.854 119.914 0.173 0.000 3.542 447 V HA 0.230 4.351 4.120 0.001 0.000 0.296 447 V C 0.733 176.872 176.094 0.075 0.000 1.364 447 V CA 0.898 63.287 62.300 0.149 0.000 1.118 447 V CB -0.917 30.967 31.823 0.103 0.000 0.972 447 V HN 0.306 nan 8.190 nan 0.000 0.430 448 T N -3.152 111.422 114.554 0.034 0.000 3.442 448 T HA 0.478 4.829 4.350 0.001 0.000 0.295 448 T C 0.047 174.739 174.700 -0.014 0.000 1.007 448 T CA -0.193 61.904 62.100 -0.004 0.000 0.962 448 T CB -0.116 68.734 68.868 -0.030 0.000 1.187 448 T HN 0.266 nan 8.240 nan 0.000 0.490 449 M N 2.490 122.084 119.600 -0.010 0.000 2.188 449 M HA 0.398 4.879 4.480 0.001 0.000 0.354 449 M C 0.509 176.839 176.300 0.050 0.000 1.342 449 M CA -0.353 54.955 55.300 0.014 0.000 1.117 449 M CB 1.109 33.717 32.600 0.012 0.000 1.670 449 M HN 0.324 nan 8.290 nan 0.000 0.466 450 R N 0.000 120.578 120.500 0.131 0.000 2.786 450 R HA 0.000 4.340 4.340 0.001 0.000 0.208 450 R CA 0.000 56.193 56.100 0.155 0.000 0.921 450 R CB 0.000 30.345 30.300 0.076 0.000 0.687 450 R HN 0.000 nan 8.270 nan 0.000 0.535