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 2fp4_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNLQEYQSKK LMSDNGVKVQ RFFVADTANE ALEAAKRLNA KEIVLKAQIL DATA SEQUENCE AGGRGKGVFS SGLKGGVHLT KDPEVVGQLA KQMIGYNLAT KQTPKEGVKV DATA SEQUENCE NKVMVAEALD ISRETYLAIL MDRSCNGPVL VGSPQGGVDI EEVAASNPEL DATA SEQUENCE IFKEQIDIIE GIKDSQAQRM AENLGFLGPL QNQAADQIKK LYNLFLKIDA DATA SEQUENCE TQVEVNPFGE TPEGQVVCFD AKINFDDNAE FRQKDIFAMD DKSENEPIEN DATA SEQUENCE EAAKYDLKYI GLDGNIACFV NGAGLAMATC DIIFLNGGKP ANFLDLGGGV DATA SEQUENCE KESQVYQAFK LLTADPKVEA ILVNIFGGIV NCAIIANGIT KACRELELKV DATA SEQUENCE PLVVRLEGTN VHEAQNILTN SGLPITSAVD LEDAAKKAVA SVT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.371 176.300 0.119 0.000 1.140 1 M CA 0.000 55.348 55.300 0.079 0.000 0.988 1 M CB 0.000 32.564 32.600 -0.060 0.000 1.302 2 N N 3.058 121.794 118.700 0.061 0.000 2.314 2 N HA 0.829 5.569 4.740 -0.000 0.000 0.304 2 N C -1.188 174.335 175.510 0.020 0.000 1.073 2 N CA -0.553 52.550 53.050 0.088 0.000 0.822 2 N CB 2.304 40.810 38.487 0.031 0.000 1.280 2 N HN 0.552 nan 8.380 nan 0.000 0.489 3 L N 0.910 122.167 121.223 0.057 0.000 2.331 3 L HA 0.462 4.802 4.340 -0.000 0.000 0.268 3 L C 0.340 177.160 176.870 -0.084 0.000 1.015 3 L CA -1.087 53.709 54.840 -0.073 0.000 0.807 3 L CB 1.068 43.060 42.059 -0.111 0.000 1.293 3 L HN 0.312 nan 8.230 nan 0.000 0.451 4 Q N 0.714 120.406 119.800 -0.180 0.000 2.454 4 Q HA -0.037 4.303 4.340 -0.000 0.000 0.247 4 Q C 0.733 176.606 176.000 -0.211 0.000 1.028 4 Q CA 0.220 55.925 55.803 -0.164 0.000 0.910 4 Q CB 0.850 29.494 28.738 -0.157 0.000 1.276 4 Q HN 0.601 nan 8.270 nan 0.000 0.489 5 E N 1.499 121.640 120.200 -0.098 0.000 2.097 5 E HA -0.263 4.087 4.350 -0.000 0.000 0.196 5 E C 1.581 178.065 176.600 -0.194 0.000 1.000 5 E CA 1.817 58.151 56.400 -0.109 0.000 0.804 5 E CB -0.178 29.486 29.700 -0.059 0.000 0.740 5 E HN 0.694 nan 8.360 nan 0.000 0.454 6 Y N 0.190 120.362 120.300 -0.214 0.000 2.333 6 Y HA -0.082 4.468 4.550 -0.000 0.000 0.290 6 Y C 1.910 177.783 175.900 -0.046 0.000 1.144 6 Y CA 1.180 59.085 58.100 -0.325 0.000 1.228 6 Y CB -0.522 37.844 38.460 -0.156 0.000 0.985 6 Y HN 0.039 nan 8.280 nan 0.000 0.542 7 Q N 0.356 119.759 119.800 -0.663 0.000 2.096 7 Q HA -0.067 4.273 4.340 -0.000 0.000 0.197 7 Q C 2.436 178.359 176.000 -0.129 0.000 0.964 7 Q CA 1.339 56.898 55.803 -0.407 0.000 0.838 7 Q CB -0.110 28.308 28.738 -0.534 0.000 0.906 7 Q HN 0.483 nan 8.270 nan 0.000 0.444 8 S N 0.768 116.400 115.700 -0.115 0.000 2.383 8 S HA -0.080 4.390 4.470 -0.000 0.000 0.227 8 S C 1.746 176.345 174.600 -0.001 0.000 1.026 8 S CA 0.901 59.095 58.200 -0.011 0.000 0.981 8 S CB 0.015 63.197 63.200 -0.030 0.000 0.818 8 S HN 0.224 nan 8.310 nan 0.000 0.472 9 K N 1.446 121.828 120.400 -0.030 0.000 2.097 9 K HA -0.031 4.288 4.320 -0.000 0.000 0.205 9 K C 2.148 178.848 176.600 0.167 0.000 1.050 9 K CA 0.786 57.092 56.287 0.032 0.000 0.938 9 K CB -0.259 32.183 32.500 -0.097 0.000 0.718 9 K HN 0.303 nan 8.250 nan 0.000 0.442 10 K N 1.334 121.871 120.400 0.229 0.000 2.026 10 K HA -0.078 4.242 4.320 -0.000 0.000 0.208 10 K C 2.271 178.930 176.600 0.098 0.000 1.048 10 K CA 0.804 57.214 56.287 0.204 0.000 0.929 10 K CB -0.077 32.548 32.500 0.210 0.000 0.713 10 K HN 0.014 nan 8.250 nan 0.000 0.439 11 L N 0.601 121.867 121.223 0.072 0.000 2.042 11 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 11 L C 2.632 179.530 176.870 0.047 0.000 1.076 11 L CA 1.468 56.341 54.840 0.055 0.000 0.749 11 L CB -0.245 41.861 42.059 0.077 0.000 0.893 11 L HN 0.317 nan 8.230 nan 0.000 0.432 12 M N -1.550 118.077 119.600 0.045 0.000 2.086 12 M HA -0.226 4.254 4.480 -0.000 0.000 0.261 12 M C 2.594 178.913 176.300 0.032 0.000 1.067 12 M CA 1.838 57.155 55.300 0.030 0.000 1.116 12 M CB -0.469 32.145 32.600 0.022 0.000 1.348 12 M HN 0.148 nan 8.290 nan 0.000 0.407 13 S N 0.340 116.069 115.700 0.048 0.000 2.374 13 S HA -0.194 4.276 4.470 -0.000 0.000 0.227 13 S C 1.413 176.025 174.600 0.020 0.000 1.037 13 S CA 1.747 59.968 58.200 0.035 0.000 1.024 13 S CB -0.438 62.792 63.200 0.049 0.000 0.861 13 S HN 0.390 nan 8.310 nan 0.000 0.456 14 D N 1.195 121.610 120.400 0.026 0.000 2.309 14 D HA 0.016 4.656 4.640 -0.000 0.000 0.212 14 D C 0.868 177.175 176.300 0.013 0.000 0.968 14 D CA 0.661 54.671 54.000 0.017 0.000 0.882 14 D CB -0.306 40.506 40.800 0.020 0.000 0.918 14 D HN 0.460 nan 8.370 nan 0.000 0.503 15 N N -0.425 118.284 118.700 0.015 0.000 2.328 15 N HA 0.167 4.907 4.740 -0.000 0.000 0.247 15 N C 0.778 176.294 175.510 0.011 0.000 1.165 15 N CA 0.198 53.255 53.050 0.012 0.000 0.873 15 N CB 1.498 39.993 38.487 0.012 0.000 1.125 15 N HN 0.080 nan 8.380 nan 0.000 0.513 16 G N 0.408 109.213 108.800 0.009 0.000 2.155 16 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 16 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 16 G C 0.161 175.066 174.900 0.009 0.000 0.983 16 G CA 0.187 45.291 45.100 0.007 0.000 0.676 16 G HN 0.214 nan 8.290 nan 0.000 0.528 17 V N 0.765 120.687 119.914 0.014 0.000 2.546 17 V HA 0.341 4.461 4.120 -0.000 0.000 0.284 17 V C 0.860 176.963 176.094 0.015 0.000 1.050 17 V CA -0.453 61.859 62.300 0.021 0.000 0.981 17 V CB 1.546 33.381 31.823 0.020 0.000 0.990 17 V HN 0.323 nan 8.190 nan 0.000 0.474 18 K N 3.974 124.383 120.400 0.013 0.000 2.349 18 K HA 0.494 4.814 4.320 -0.000 0.000 0.288 18 K C -0.346 176.230 176.600 -0.040 0.000 1.058 18 K CA -0.141 56.135 56.287 -0.019 0.000 0.953 18 K CB 1.077 33.555 32.500 -0.038 0.000 0.997 18 K HN 0.621 nan 8.250 nan 0.000 0.477 19 V N -0.237 119.649 119.914 -0.048 0.000 3.158 19 V HA 0.366 4.486 4.120 -0.000 0.000 0.311 19 V C -0.720 175.325 176.094 -0.082 0.000 1.181 19 V CA -1.335 60.926 62.300 -0.064 0.000 1.054 19 V CB 1.699 33.540 31.823 0.031 0.000 1.085 19 V HN 0.663 nan 8.190 nan 0.000 0.446 20 Q N 0.727 120.475 119.800 -0.088 0.000 2.327 20 Q HA 0.446 4.785 4.340 -0.000 0.000 0.254 20 Q C -0.350 175.687 176.000 0.062 0.000 0.952 20 Q CA -0.303 55.465 55.803 -0.058 0.000 0.884 20 Q CB 0.991 29.695 28.738 -0.057 0.000 1.224 20 Q HN 0.607 nan 8.270 nan 0.000 0.422 21 R N 2.057 122.537 120.500 -0.033 0.000 2.570 21 R HA 0.253 4.593 4.340 -0.000 0.000 0.277 21 R C -0.507 175.721 176.300 -0.120 0.000 1.039 21 R CA 0.364 56.368 56.100 -0.161 0.000 1.065 21 R CB 0.080 30.265 30.300 -0.192 0.000 0.964 21 R HN 0.480 nan 8.270 nan 0.000 0.428 22 F N -0.356 119.349 119.950 -0.409 0.000 2.713 22 F HA 0.662 5.189 4.527 -0.000 0.000 0.311 22 F C -1.722 173.695 175.800 -0.638 0.000 1.141 22 F CA -1.651 56.127 58.000 -0.369 0.000 0.939 22 F CB 1.102 40.023 39.000 -0.132 0.000 1.325 22 F HN 0.193 nan 8.300 nan 0.000 0.453 23 F N 0.754 120.823 119.950 0.198 0.000 2.613 23 F HA 0.765 5.292 4.527 -0.000 0.000 0.314 23 F C -0.617 175.310 175.800 0.211 0.000 1.075 23 F CA -1.326 56.723 58.000 0.082 0.000 0.945 23 F CB 2.222 41.224 39.000 0.003 0.000 1.310 23 F HN 0.452 nan 8.300 nan 0.000 0.467 24 V N 1.496 121.579 119.914 0.282 0.000 2.630 24 V HA 0.894 5.014 4.120 -0.000 0.000 0.305 24 V C -0.455 175.641 176.094 0.004 0.000 1.046 24 V CA -0.750 61.568 62.300 0.030 0.000 0.934 24 V CB 1.523 33.153 31.823 -0.322 0.000 1.003 24 V HN 0.906 nan 8.190 nan 0.000 0.451 25 A N 2.222 125.025 122.820 -0.029 0.000 2.449 25 A HA 0.760 5.080 4.320 -0.000 0.000 0.302 25 A C -0.455 177.111 177.584 -0.030 0.000 1.048 25 A CA -0.557 51.470 52.037 -0.017 0.000 0.708 25 A CB 1.520 20.528 19.000 0.013 0.000 1.274 25 A HN 0.900 nan 8.150 nan 0.000 0.410 26 D N 0.128 120.513 120.400 -0.025 0.000 2.431 26 D HA 0.242 4.882 4.640 -0.000 0.000 0.213 26 D C 0.428 176.725 176.300 -0.006 0.000 1.130 26 D CA 0.674 54.666 54.000 -0.014 0.000 0.834 26 D CB 0.459 41.251 40.800 -0.014 0.000 0.985 26 D HN 0.589 nan 8.370 nan 0.000 0.504 27 T N -4.799 109.751 114.554 -0.007 0.000 2.883 27 T HA 0.651 5.001 4.350 -0.000 0.000 0.301 27 T C 0.956 175.652 174.700 -0.006 0.000 1.158 27 T CA -0.432 61.665 62.100 -0.006 0.000 1.007 27 T CB 1.702 70.564 68.868 -0.010 0.000 1.186 27 T HN -0.125 nan 8.240 nan 0.000 0.499 28 A N 1.453 124.269 122.820 -0.006 0.000 1.902 28 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 28 A C 2.217 179.793 177.584 -0.013 0.000 1.181 28 A CA 1.811 53.841 52.037 -0.011 0.000 0.623 28 A CB -1.223 17.769 19.000 -0.013 0.000 0.818 28 A HN 0.947 nan 8.150 nan 0.000 0.443 29 N N -0.293 118.399 118.700 -0.013 0.000 2.120 29 N HA -0.178 4.562 4.740 -0.000 0.000 0.188 29 N C 1.660 177.158 175.510 -0.020 0.000 1.024 29 N CA 1.576 54.616 53.050 -0.017 0.000 0.852 29 N CB -0.165 38.312 38.487 -0.017 0.000 1.003 29 N HN 0.643 nan 8.380 nan 0.000 0.424 30 E N 0.345 120.533 120.200 -0.019 0.000 2.110 30 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 30 E C 1.974 178.567 176.600 -0.012 0.000 0.988 30 E CA 0.996 57.381 56.400 -0.025 0.000 0.804 30 E CB -0.096 29.590 29.700 -0.023 0.000 0.745 30 E HN 0.438 nan 8.360 nan 0.000 0.458 31 A N 1.337 124.158 122.820 0.001 0.000 1.898 31 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 31 A C 2.184 179.779 177.584 0.017 0.000 1.181 31 A CA 0.952 53.001 52.037 0.020 0.000 0.620 31 A CB -0.525 18.485 19.000 0.016 0.000 0.819 31 A HN 0.235 nan 8.150 nan 0.000 0.442 32 L N -0.059 121.164 121.223 -0.000 0.000 2.012 32 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 32 L C 2.124 178.989 176.870 -0.007 0.000 1.073 32 L CA 2.479 57.318 54.840 -0.003 0.000 0.748 32 L CB -0.548 41.504 42.059 -0.011 0.000 0.891 32 L HN 0.363 nan 8.230 nan 0.000 0.431 33 E N 0.073 120.259 120.200 -0.024 0.000 2.107 33 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 33 E C 2.247 178.807 176.600 -0.067 0.000 0.982 33 E CA 1.207 57.578 56.400 -0.049 0.000 0.809 33 E CB -0.575 29.084 29.700 -0.068 0.000 0.756 33 E HN 0.648 nan 8.360 nan 0.000 0.459 34 A N 1.646 124.438 122.820 -0.047 0.000 1.933 34 A HA -0.074 4.245 4.320 -0.000 0.000 0.218 34 A C 2.430 180.069 177.584 0.091 0.000 1.175 34 A CA 1.942 53.967 52.037 -0.021 0.000 0.628 34 A CB -0.531 18.537 19.000 0.114 0.000 0.814 34 A HN 0.261 nan 8.150 nan 0.000 0.444 35 A N -0.047 122.820 122.820 0.077 0.000 1.902 35 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 35 A C 2.106 179.730 177.584 0.066 0.000 1.181 35 A CA 1.841 53.931 52.037 0.088 0.000 0.623 35 A CB -0.426 18.610 19.000 0.060 0.000 0.818 35 A HN 0.556 nan 8.150 nan 0.000 0.443 36 K N -0.615 119.801 120.400 0.028 0.000 2.057 36 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 36 K C 2.293 178.902 176.600 0.016 0.000 1.049 36 K CA 1.381 57.676 56.287 0.014 0.000 0.931 36 K CB -0.205 32.289 32.500 -0.010 0.000 0.714 36 K HN 0.368 nan 8.250 nan 0.000 0.440 37 R N 0.823 121.315 120.500 -0.013 0.000 2.096 37 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 37 R C 2.311 178.685 176.300 0.122 0.000 1.127 37 R CA 1.103 57.188 56.100 -0.024 0.000 0.968 37 R CB -0.430 29.716 30.300 -0.257 0.000 0.861 37 R HN 0.196 nan 8.270 nan 0.000 0.440 38 L N 0.670 122.018 121.223 0.209 0.000 2.191 38 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 38 L C 0.613 177.553 176.870 0.116 0.000 1.103 38 L CA 0.586 55.557 54.840 0.219 0.000 0.769 38 L CB -0.669 41.503 42.059 0.189 0.000 0.908 38 L HN 0.323 nan 8.230 nan 0.000 0.438 39 N N 0.014 118.764 118.700 0.083 0.000 2.699 39 N HA -0.197 4.543 4.740 -0.000 0.000 0.256 39 N C -0.465 175.076 175.510 0.052 0.000 0.993 39 N CA 0.699 53.781 53.050 0.055 0.000 0.759 39 N CB -0.527 37.987 38.487 0.045 0.000 0.906 39 N HN 0.402 nan 8.380 nan 0.000 0.541 40 A N 0.461 123.315 122.820 0.057 0.000 2.299 40 A HA 0.530 4.850 4.320 -0.000 0.000 0.332 40 A C 1.188 178.799 177.584 0.045 0.000 1.131 40 A CA -0.101 51.967 52.037 0.051 0.000 0.844 40 A CB 0.964 19.999 19.000 0.059 0.000 1.251 40 A HN 0.414 nan 8.150 nan 0.000 0.486 41 K N -0.287 120.138 120.400 0.042 0.000 2.057 41 K HA -0.075 4.244 4.320 -0.000 0.000 0.207 41 K C 0.299 176.925 176.600 0.043 0.000 1.049 41 K CA 1.871 58.181 56.287 0.038 0.000 0.931 41 K CB 0.055 32.577 32.500 0.036 0.000 0.714 41 K HN 0.718 nan 8.250 nan 0.000 0.440 42 E N -0.154 120.078 120.200 0.052 0.000 2.343 42 E HA 0.308 4.658 4.350 -0.000 0.000 0.278 42 E C -1.738 174.905 176.600 0.071 0.000 0.910 42 E CA -0.753 55.682 56.400 0.059 0.000 0.757 42 E CB 1.375 31.110 29.700 0.059 0.000 1.218 42 E HN 0.050 nan 8.360 nan 0.000 0.435 43 I N 2.978 123.593 120.570 0.075 0.000 2.493 43 I HA 0.297 4.467 4.170 -0.000 0.000 0.298 43 I C -0.713 175.462 176.117 0.097 0.000 0.998 43 I CA -0.732 60.620 61.300 0.087 0.000 1.137 43 I CB 1.942 39.993 38.000 0.084 0.000 1.310 43 I HN 0.242 nan 8.210 nan 0.000 0.445 44 V N 5.753 125.732 119.914 0.107 0.000 2.459 44 V HA 0.558 4.678 4.120 -0.000 0.000 0.295 44 V C -0.558 175.606 176.094 0.118 0.000 1.029 44 V CA -0.829 61.539 62.300 0.114 0.000 0.874 44 V CB 1.474 33.366 31.823 0.116 0.000 0.985 44 V HN 0.501 nan 8.190 nan 0.000 0.438 45 L N 4.790 126.093 121.223 0.133 0.000 2.313 45 L HA 0.689 5.029 4.340 -0.000 0.000 0.283 45 L C -0.423 176.540 176.870 0.155 0.000 1.013 45 L CA -0.104 54.813 54.840 0.129 0.000 0.816 45 L CB 1.300 43.427 42.059 0.112 0.000 1.236 45 L HN 0.703 nan 8.230 nan 0.000 0.419 46 K N 4.915 125.394 120.400 0.131 0.000 2.507 46 K HA 0.744 5.063 4.320 -0.000 0.000 0.252 46 K C -0.663 176.028 176.600 0.152 0.000 0.943 46 K CA -0.680 55.692 56.287 0.142 0.000 0.808 46 K CB 1.898 34.454 32.500 0.094 0.000 1.142 46 K HN 0.751 nan 8.250 nan 0.000 0.426 47 A N 2.917 125.871 122.820 0.223 0.000 2.498 47 A HA 0.037 4.357 4.320 -0.000 0.000 0.239 47 A C -0.214 177.474 177.584 0.173 0.000 1.068 47 A CA 0.062 52.250 52.037 0.252 0.000 0.766 47 A CB 0.192 19.459 19.000 0.446 0.000 1.003 47 A HN 0.558 nan 8.150 nan 0.000 0.497 48 Q N 1.602 121.497 119.800 0.159 0.000 2.430 48 Q HA 0.490 4.830 4.340 -0.000 0.000 0.245 48 Q C -0.395 175.679 176.000 0.123 0.000 1.021 48 Q CA 0.163 56.053 55.803 0.145 0.000 0.867 48 Q CB 0.671 29.531 28.738 0.203 0.000 1.210 48 Q HN 0.727 nan 8.270 nan 0.000 0.487 49 I N -1.926 118.695 120.570 0.086 0.000 3.074 49 I HA 0.373 4.543 4.170 -0.000 0.000 0.310 49 I C 0.406 176.544 176.117 0.035 0.000 1.153 49 I CA -1.007 60.329 61.300 0.059 0.000 0.993 49 I CB 1.573 39.596 38.000 0.039 0.000 1.237 49 I HN 0.274 nan 8.210 nan 0.000 0.443 50 L N 2.154 123.391 121.223 0.024 0.000 2.109 50 L HA 0.158 4.497 4.340 -0.000 0.000 0.207 50 L C 1.681 178.554 176.870 0.005 0.000 1.086 50 L CA 1.004 55.851 54.840 0.011 0.000 0.760 50 L CB -0.496 41.569 42.059 0.010 0.000 0.910 50 L HN 0.827 nan 8.230 nan 0.000 0.437 51 A N 0.497 123.319 122.820 0.003 0.000 2.498 51 A HA 0.424 4.744 4.320 -0.000 0.000 0.239 51 A C 0.722 178.303 177.584 -0.005 0.000 1.068 51 A CA 0.369 52.403 52.037 -0.004 0.000 0.766 51 A CB -0.023 18.970 19.000 -0.012 0.000 1.003 51 A HN 0.257 nan 8.150 nan 0.000 0.497 52 G N -0.264 108.534 108.800 -0.004 0.000 2.535 52 G HA2 0.531 4.491 3.960 -0.000 0.000 0.282 52 G HA3 0.531 4.491 3.960 -0.000 0.000 0.282 52 G C 1.100 175.995 174.900 -0.008 0.000 1.350 52 G CA -0.022 45.078 45.100 -0.000 0.000 1.039 52 G HN 2.273 nan 8.290 nan 0.000 0.509 53 G N -1.276 107.521 108.800 -0.004 0.000 2.153 53 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 53 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 53 G C 1.290 176.175 174.900 -0.025 0.000 0.994 53 G CA 0.854 45.945 45.100 -0.014 0.000 0.698 53 G HN 0.709 nan 8.290 nan 0.000 0.521 54 R N 0.005 120.494 120.500 -0.018 0.000 2.127 54 R HA -0.037 4.303 4.340 -0.000 0.000 0.238 54 R C 2.938 179.231 176.300 -0.012 0.000 1.134 54 R CA 1.474 57.560 56.100 -0.023 0.000 0.975 54 R CB -0.458 29.851 30.300 0.016 0.000 0.865 54 R HN 0.460 nan 8.270 nan 0.000 0.447 55 G N 0.888 109.683 108.800 -0.008 0.000 2.462 55 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.220 55 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.220 55 G C 1.121 176.000 174.900 -0.034 0.000 1.121 55 G CA 0.655 45.742 45.100 -0.023 0.000 0.758 55 G HN 0.291 nan 8.290 nan 0.000 0.559 56 K N -0.003 120.380 120.400 -0.029 0.000 2.413 56 K HA 0.245 4.565 4.320 -0.000 0.000 0.204 56 K C 1.276 177.856 176.600 -0.034 0.000 1.041 56 K CA -0.112 56.159 56.287 -0.026 0.000 1.082 56 K CB 1.256 33.742 32.500 -0.023 0.000 0.871 56 K HN 0.211 nan 8.250 nan 0.000 0.535 57 G N 0.788 109.552 108.800 -0.061 0.000 2.616 57 G HA2 0.308 4.267 3.960 -0.000 0.000 0.268 57 G HA3 0.308 4.267 3.960 -0.000 0.000 0.268 57 G C -0.852 173.979 174.900 -0.115 0.000 1.213 57 G CA -0.321 44.709 45.100 -0.115 0.000 0.926 57 G HN 0.021 nan 8.290 nan 0.000 0.523 58 V N -0.422 119.398 119.914 -0.157 0.000 2.823 58 V HA 0.772 4.892 4.120 -0.000 0.000 0.312 58 V C -1.195 174.787 176.094 -0.186 0.000 1.072 58 V CA -1.138 61.120 62.300 -0.070 0.000 0.937 58 V CB 1.583 33.409 31.823 0.005 0.000 1.013 58 V HN 0.497 nan 8.190 nan 0.000 0.430 59 F N 3.156 123.126 119.950 0.033 0.000 2.399 59 F HA 0.423 4.950 4.527 -0.000 0.000 0.328 59 F C 1.695 177.509 175.800 0.023 0.000 1.084 59 F CA 0.368 58.391 58.000 0.038 0.000 1.053 59 F CB 2.093 41.096 39.000 0.006 0.000 1.209 59 F HN 0.662 nan 8.300 nan 0.000 0.502 60 S N -1.143 114.721 115.700 0.273 0.000 2.474 60 S HA -0.145 4.325 4.470 -0.000 0.000 0.235 60 S C 1.717 176.400 174.600 0.140 0.000 0.997 60 S CA 0.842 59.166 58.200 0.206 0.000 0.949 60 S CB -0.761 62.593 63.200 0.255 0.000 0.766 60 S HN 0.661 nan 8.310 nan 0.000 0.517 61 S N 0.424 116.097 115.700 -0.045 0.000 2.561 61 S HA 0.415 4.885 4.470 -0.000 0.000 0.225 61 S C 1.693 176.155 174.600 -0.230 0.000 0.977 61 S CA 0.617 58.497 58.200 -0.534 0.000 0.926 61 S CB -0.528 61.849 63.200 -1.371 0.000 0.769 61 S HN 1.311 nan 8.310 nan 0.000 0.533 62 G N 0.382 109.151 108.800 -0.051 0.000 2.254 62 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.225 62 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.225 62 G C -0.078 174.839 174.900 0.027 0.000 1.003 62 G CA -0.064 45.030 45.100 -0.010 0.000 0.622 62 G HN 0.696 nan 8.290 nan 0.000 0.507 63 L N 2.037 123.268 121.223 0.013 0.000 2.490 63 L HA 0.545 4.885 4.340 -0.000 0.000 0.274 63 L C 0.090 177.132 176.870 0.288 0.000 1.201 63 L CA -0.126 54.755 54.840 0.068 0.000 0.869 63 L CB 0.405 42.380 42.059 -0.140 0.000 1.123 63 L HN 0.087 nan 8.230 nan 0.000 0.484 64 K N 4.551 125.094 120.400 0.238 0.000 2.185 64 K HA 0.722 5.041 4.320 -0.000 0.000 0.269 64 K C -0.118 176.672 176.600 0.316 0.000 0.987 64 K CA 0.020 56.444 56.287 0.229 0.000 0.865 64 K CB 1.153 33.730 32.500 0.128 0.000 1.090 64 K HN 0.940 nan 8.250 nan 0.000 0.450 65 G N 0.934 109.883 108.800 0.249 0.000 3.190 65 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.686 65 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.686 65 G C 0.457 175.628 174.900 0.451 0.000 1.033 65 G CA -0.428 44.772 45.100 0.166 0.000 0.797 65 G HN 0.658 nan 8.290 nan 0.000 0.567 66 G N -0.499 108.454 108.800 0.256 0.000 3.088 66 G HA2 0.486 4.446 3.960 -0.000 0.000 0.217 66 G HA3 0.486 4.446 3.960 -0.000 0.000 0.217 66 G C 0.362 175.452 174.900 0.318 0.000 1.159 66 G CA 0.841 46.193 45.100 0.420 0.000 0.760 66 G HN 1.391 nan 8.290 nan 0.000 0.550 67 V N 1.759 121.744 119.914 0.118 0.000 2.483 67 V HA 0.445 4.565 4.120 -0.000 0.000 0.297 67 V C -1.022 174.987 176.094 -0.142 0.000 1.027 67 V CA -0.956 61.382 62.300 0.063 0.000 0.855 67 V CB 1.436 33.272 31.823 0.021 0.000 0.995 67 V HN 0.272 nan 8.190 nan 0.000 0.424 68 H N 4.699 123.814 119.070 0.075 0.000 2.768 68 H HA 0.630 5.186 4.556 -0.000 0.000 0.371 68 H C -1.136 174.223 175.328 0.052 0.000 1.151 68 H CA -0.637 55.445 56.048 0.056 0.000 1.165 68 H CB 2.833 32.620 29.762 0.043 0.000 1.722 68 H HN 0.404 nan 8.280 nan 0.000 0.543 69 L N 1.455 122.759 121.223 0.136 0.000 2.329 69 L HA 0.503 4.843 4.340 -0.000 0.000 0.279 69 L C 0.325 177.256 176.870 0.101 0.000 1.014 69 L CA -0.387 54.514 54.840 0.102 0.000 0.814 69 L CB 2.145 44.243 42.059 0.065 0.000 1.257 69 L HN 0.539 nan 8.230 nan 0.000 0.424 70 T N 0.405 115.009 114.554 0.083 0.000 2.885 70 T HA 0.278 4.628 4.350 -0.000 0.000 0.322 70 T C -0.026 174.706 174.700 0.053 0.000 1.387 70 T CA -0.590 61.547 62.100 0.063 0.000 1.041 70 T CB 1.710 70.611 68.868 0.055 0.000 1.287 70 T HN 0.665 nan 8.240 nan 0.000 0.491 71 K N 0.886 121.311 120.400 0.042 0.000 2.367 71 K HA 0.170 4.489 4.320 -0.000 0.000 0.194 71 K C -0.283 176.336 176.600 0.032 0.000 1.027 71 K CA -0.076 56.233 56.287 0.038 0.000 1.075 71 K CB 0.339 32.858 32.500 0.031 0.000 0.845 71 K HN 0.404 nan 8.250 nan 0.000 0.529 72 D N 0.738 121.155 120.400 0.028 0.000 2.349 72 D HA 0.144 4.784 4.640 -0.000 0.000 0.232 72 D C -2.098 174.213 176.300 0.019 0.000 1.071 72 D CA -2.623 51.389 54.000 0.020 0.000 0.832 72 D CB 1.820 42.628 40.800 0.013 0.000 1.086 72 D HN -0.250 nan 8.370 nan 0.000 0.504 73 P HA -0.154 nan 4.420 nan 0.000 0.217 73 P C 0.913 178.216 177.300 0.006 0.000 1.148 73 P CA 0.987 64.097 63.100 0.018 0.000 0.834 73 P CB 0.404 32.114 31.700 0.016 0.000 0.783 74 E N -0.889 119.311 120.200 0.001 0.000 2.152 74 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 74 E C 2.024 178.615 176.600 -0.015 0.000 0.983 74 E CA 0.825 57.220 56.400 -0.008 0.000 0.818 74 E CB -0.697 28.998 29.700 -0.007 0.000 0.758 74 E HN 0.153 nan 8.360 nan 0.000 0.467 75 V N 0.976 120.883 119.914 -0.011 0.000 2.453 75 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 75 V C 2.532 178.605 176.094 -0.035 0.000 1.048 75 V CA 0.957 63.242 62.300 -0.024 0.000 1.049 75 V CB -0.374 31.444 31.823 -0.010 0.000 0.672 75 V HN 0.051 nan 8.190 nan 0.000 0.457 76 V N 1.191 121.098 119.914 -0.013 0.000 2.324 76 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 76 V C 2.644 178.719 176.094 -0.031 0.000 1.060 76 V CA 2.347 64.641 62.300 -0.010 0.000 1.042 76 V CB -1.537 30.298 31.823 0.019 0.000 0.650 76 V HN 0.606 nan 8.190 nan 0.000 0.450 77 G N -0.996 107.789 108.800 -0.025 0.000 2.418 77 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 77 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 77 G C 1.500 176.369 174.900 -0.052 0.000 1.158 77 G CA 0.885 45.967 45.100 -0.031 0.000 0.771 77 G HN 0.566 nan 8.290 nan 0.000 0.545 78 Q N -0.241 119.523 119.800 -0.060 0.000 2.119 78 Q HA 0.095 4.434 4.340 -0.000 0.000 0.201 78 Q C 2.620 178.541 176.000 -0.131 0.000 0.972 78 Q CA 0.787 56.541 55.803 -0.080 0.000 0.847 78 Q CB -0.224 28.472 28.738 -0.071 0.000 0.903 78 Q HN 0.428 nan 8.270 nan 0.000 0.433 79 L N 0.007 121.133 121.223 -0.162 0.000 2.027 79 L HA -0.137 4.203 4.340 -0.000 0.000 0.206 79 L C 2.519 179.235 176.870 -0.256 0.000 1.074 79 L CA 0.894 55.573 54.840 -0.269 0.000 0.745 79 L CB -0.630 41.237 42.059 -0.319 0.000 0.898 79 L HN 0.229 nan 8.230 nan 0.000 0.433 80 A N 0.053 122.779 122.820 -0.156 0.000 1.940 80 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 80 A C 2.365 179.890 177.584 -0.099 0.000 1.176 80 A CA 2.003 53.972 52.037 -0.113 0.000 0.631 80 A CB -0.501 18.470 19.000 -0.049 0.000 0.814 80 A HN 0.324 nan 8.150 nan 0.000 0.446 81 K N -0.516 119.835 120.400 -0.082 0.000 2.209 81 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 81 K C 1.711 178.295 176.600 -0.025 0.000 1.048 81 K CA 1.513 57.784 56.287 -0.027 0.000 0.940 81 K CB -0.125 32.359 32.500 -0.027 0.000 0.729 81 K HN 0.646 nan 8.250 nan 0.000 0.451 82 Q N -0.771 118.907 119.800 -0.203 0.000 2.403 82 Q HA 0.089 4.429 4.340 -0.000 0.000 0.203 82 Q C 1.309 176.995 176.000 -0.523 0.000 0.932 82 Q CA 0.215 55.768 55.803 -0.417 0.000 0.945 82 Q CB 0.427 28.894 28.738 -0.452 0.000 1.045 82 Q HN 0.355 nan 8.270 nan 0.000 0.511 83 M N -0.599 118.806 119.600 -0.324 0.000 2.999 83 M HA 0.143 4.623 4.480 -0.000 0.000 0.246 83 M C 0.249 176.625 176.300 0.126 0.000 1.478 83 M CA 0.027 55.095 55.300 -0.387 0.000 1.243 83 M CB 0.676 33.034 32.600 -0.403 0.000 1.213 83 M HN 0.009 nan 8.290 nan 0.000 0.564 84 I N 2.079 122.707 120.570 0.097 0.000 2.668 84 I HA 0.016 4.186 4.170 -0.000 0.000 0.285 84 I C 1.401 177.542 176.117 0.040 0.000 1.168 84 I CA 1.167 62.517 61.300 0.084 0.000 1.424 84 I CB -0.534 37.488 38.000 0.036 0.000 1.377 84 I HN 0.780 nan 8.210 nan 0.000 0.560 85 G N 5.512 114.299 108.800 -0.022 0.000 2.225 85 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.254 85 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.254 85 G C 0.087 174.783 174.900 -0.340 0.000 0.988 85 G CA -0.223 44.755 45.100 -0.204 0.000 0.625 85 G HN 0.523 nan 8.290 nan 0.000 0.527 86 Y N 0.432 120.797 120.300 0.109 0.000 2.519 86 Y HA 0.677 5.227 4.550 -0.000 0.000 0.324 86 Y C 0.643 176.672 175.900 0.215 0.000 1.214 86 Y CA -1.020 57.178 58.100 0.163 0.000 1.260 86 Y CB 0.799 39.379 38.460 0.201 0.000 1.311 86 Y HN 0.057 nan 8.280 nan 0.000 0.505 87 N N 1.015 119.929 118.700 0.356 0.000 2.456 87 N HA 0.368 5.107 4.740 -0.000 0.000 0.288 87 N C -1.706 173.867 175.510 0.106 0.000 1.059 87 N CA -0.530 52.636 53.050 0.194 0.000 0.946 87 N CB 1.141 39.700 38.487 0.120 0.000 1.150 87 N HN 0.388 nan 8.380 nan 0.000 0.479 88 L N 1.983 123.160 121.223 -0.077 0.000 2.305 88 L HA 0.790 5.130 4.340 -0.000 0.000 0.284 88 L C -0.707 176.023 176.870 -0.232 0.000 1.013 88 L CA -0.820 53.753 54.840 -0.444 0.000 0.819 88 L CB 0.781 42.469 42.059 -0.618 0.000 1.227 88 L HN 0.581 nan 8.230 nan 0.000 0.417 89 A N 3.338 126.030 122.820 -0.213 0.000 2.317 89 A HA 0.858 5.178 4.320 -0.000 0.000 0.327 89 A C -0.088 177.422 177.584 -0.124 0.000 1.178 89 A CA 0.169 52.137 52.037 -0.115 0.000 0.817 89 A CB 0.888 19.851 19.000 -0.062 0.000 1.189 89 A HN 0.868 nan 8.150 nan 0.000 0.489 90 T N -1.135 113.369 114.554 -0.083 0.000 2.838 90 T HA 0.441 4.791 4.350 -0.000 0.000 0.292 90 T C 0.509 175.184 174.700 -0.042 0.000 1.113 90 T CA -0.678 61.381 62.100 -0.069 0.000 1.008 90 T CB 1.209 70.038 68.868 -0.065 0.000 1.259 90 T HN 0.450 nan 8.240 nan 0.000 0.520 91 K N -0.118 120.262 120.400 -0.034 0.000 2.519 91 K HA -0.019 4.301 4.320 -0.000 0.000 0.196 91 K C 1.657 178.244 176.600 -0.022 0.000 1.041 91 K CA 1.202 57.474 56.287 -0.025 0.000 0.954 91 K CB -0.048 32.440 32.500 -0.021 0.000 0.774 91 K HN 0.538 nan 8.250 nan 0.000 0.480 92 Q N -0.311 119.475 119.800 -0.024 0.000 2.217 92 Q HA 0.026 4.366 4.340 -0.000 0.000 0.217 92 Q C 0.025 176.013 176.000 -0.019 0.000 0.844 92 Q CA 0.059 55.850 55.803 -0.020 0.000 0.957 92 Q CB 1.306 30.034 28.738 -0.017 0.000 1.127 92 Q HN 0.238 nan 8.270 nan 0.000 0.503 93 T N -2.387 112.154 114.554 -0.022 0.000 2.927 93 T HA 0.624 4.974 4.350 -0.000 0.000 0.286 93 T C -2.668 172.024 174.700 -0.013 0.000 1.040 93 T CA -2.153 59.937 62.100 -0.017 0.000 1.010 93 T CB 1.648 70.502 68.868 -0.024 0.000 1.177 93 T HN -0.273 nan 8.240 nan 0.000 0.546 94 P HA 0.319 nan 4.420 nan 0.000 0.276 94 P C 0.446 177.746 177.300 -0.001 0.000 1.261 94 P CA -0.771 62.329 63.100 0.000 0.000 0.800 94 P CB 0.619 32.326 31.700 0.011 0.000 1.066 95 K N 1.199 121.601 120.400 0.003 0.000 2.113 95 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 95 K C 1.206 177.811 176.600 0.008 0.000 1.047 95 K CA 1.866 58.155 56.287 0.003 0.000 0.928 95 K CB -0.829 31.677 32.500 0.009 0.000 0.716 95 K HN 0.402 nan 8.250 nan 0.000 0.446 96 E N 1.274 121.484 120.200 0.016 0.000 2.485 96 E HA 0.056 4.406 4.350 -0.000 0.000 0.194 96 E C 0.868 177.481 176.600 0.022 0.000 1.098 96 E CA 0.578 56.993 56.400 0.025 0.000 0.878 96 E CB -0.986 28.733 29.700 0.032 0.000 0.939 96 E HN 0.441 nan 8.360 nan 0.000 0.503 97 G N 0.174 108.976 108.800 0.004 0.000 2.633 97 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.263 97 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.263 97 G C -0.423 174.480 174.900 0.005 0.000 1.310 97 G CA 0.206 45.298 45.100 -0.013 0.000 0.914 97 G HN 0.312 nan 8.290 nan 0.000 0.569 98 V N 0.194 120.109 119.914 0.001 0.000 2.789 98 V HA 0.569 4.689 4.120 -0.000 0.000 0.311 98 V C 0.414 176.539 176.094 0.051 0.000 1.073 98 V CA -0.520 61.794 62.300 0.024 0.000 0.921 98 V CB 1.911 33.744 31.823 0.016 0.000 1.009 98 V HN 0.984 nan 8.190 nan 0.000 0.426 99 K N 2.401 122.837 120.400 0.061 0.000 2.350 99 K HA 0.448 4.768 4.320 -0.000 0.000 0.279 99 K C -0.891 175.770 176.600 0.101 0.000 1.027 99 K CA -0.141 56.194 56.287 0.081 0.000 0.969 99 K CB 0.985 33.515 32.500 0.050 0.000 0.954 99 K HN 0.476 nan 8.250 nan 0.000 0.474 100 V N 5.422 125.428 119.914 0.152 0.000 2.370 100 V HA 0.164 4.284 4.120 -0.000 0.000 0.279 100 V C 0.246 176.412 176.094 0.121 0.000 1.029 100 V CA -0.623 61.781 62.300 0.173 0.000 0.870 100 V CB 1.345 33.355 31.823 0.312 0.000 0.984 100 V HN 0.883 nan 8.190 nan 0.000 0.451 101 N N 3.071 121.827 118.700 0.094 0.000 2.273 101 N HA 0.201 4.941 4.740 -0.000 0.000 0.192 101 N C 0.130 175.672 175.510 0.053 0.000 1.132 101 N CA 0.133 53.219 53.050 0.061 0.000 0.887 101 N CB 1.187 39.705 38.487 0.051 0.000 1.048 101 N HN 0.559 nan 8.380 nan 0.000 0.490 102 K N 0.505 120.947 120.400 0.070 0.000 2.477 102 K HA 0.554 4.874 4.320 -0.000 0.000 0.255 102 K C -1.010 175.624 176.600 0.056 0.000 0.952 102 K CA -0.783 55.523 56.287 0.032 0.000 0.826 102 K CB 3.303 35.799 32.500 -0.007 0.000 1.331 102 K HN -0.192 nan 8.250 nan 0.000 0.437 103 V N -1.297 118.632 119.914 0.025 0.000 2.876 103 V HA 0.603 4.723 4.120 -0.000 0.000 0.312 103 V C -0.687 175.429 176.094 0.036 0.000 1.085 103 V CA -1.061 61.273 62.300 0.055 0.000 0.945 103 V CB 1.833 33.691 31.823 0.059 0.000 1.017 103 V HN 0.876 nan 8.190 nan 0.000 0.428 104 M N 3.840 123.476 119.600 0.060 0.000 2.209 104 M HA 0.696 5.176 4.480 -0.000 0.000 0.355 104 M C -1.536 174.830 176.300 0.111 0.000 1.171 104 M CA -0.525 54.816 55.300 0.069 0.000 1.069 104 M CB 1.621 34.215 32.600 -0.011 0.000 1.622 104 M HN 0.678 nan 8.290 nan 0.000 0.459 105 V N 5.123 125.141 119.914 0.173 0.000 2.313 105 V HA 0.730 4.850 4.120 -0.000 0.000 0.278 105 V C -0.088 176.132 176.094 0.211 0.000 1.017 105 V CA -0.524 61.880 62.300 0.174 0.000 0.823 105 V CB 0.587 32.519 31.823 0.181 0.000 1.010 105 V HN 0.959 nan 8.190 nan 0.000 0.443 106 A N 3.558 126.477 122.820 0.165 0.000 2.386 106 A HA 0.778 5.097 4.320 -0.000 0.000 0.308 106 A C -0.238 177.414 177.584 0.113 0.000 1.128 106 A CA -0.759 51.373 52.037 0.158 0.000 0.789 106 A CB 1.254 20.343 19.000 0.149 0.000 1.325 106 A HN 0.801 nan 8.150 nan 0.000 0.437 107 E N 1.187 121.435 120.200 0.081 0.000 2.217 107 E HA 0.465 4.815 4.350 -0.000 0.000 0.279 107 E C 0.241 176.888 176.600 0.078 0.000 1.068 107 E CA -0.351 56.089 56.400 0.067 0.000 0.882 107 E CB 0.597 30.316 29.700 0.033 0.000 1.039 107 E HN 0.795 nan 8.360 nan 0.000 0.418 108 A N 5.055 127.933 122.820 0.096 0.000 2.407 108 A HA 0.408 4.728 4.320 -0.000 0.000 0.248 108 A C -0.462 177.202 177.584 0.133 0.000 1.082 108 A CA -0.185 51.928 52.037 0.127 0.000 0.785 108 A CB 0.367 19.433 19.000 0.111 0.000 1.020 108 A HN 0.736 nan 8.150 nan 0.000 0.489 109 L N 0.963 122.316 121.223 0.218 0.000 2.333 109 L HA 0.401 4.740 4.340 -0.000 0.000 0.263 109 L C -0.747 176.254 176.870 0.219 0.000 1.014 109 L CA -1.123 53.847 54.840 0.216 0.000 0.820 109 L CB 1.947 44.158 42.059 0.253 0.000 1.352 109 L HN 0.593 nan 8.230 nan 0.000 0.421 110 D N 1.639 122.125 120.400 0.143 0.000 2.302 110 D HA 0.411 5.051 4.640 -0.000 0.000 0.248 110 D C -0.343 176.002 176.300 0.076 0.000 1.094 110 D CA 0.141 54.188 54.000 0.078 0.000 0.897 110 D CB 1.909 42.737 40.800 0.047 0.000 1.200 110 D HN 0.216 nan 8.370 nan 0.000 0.429 111 I N 1.667 122.212 120.570 -0.041 0.000 2.328 111 I HA 0.055 4.225 4.170 -0.000 0.000 0.287 111 I C 1.119 177.177 176.117 -0.100 0.000 1.012 111 I CA -0.239 60.968 61.300 -0.154 0.000 1.195 111 I CB 1.369 39.138 38.000 -0.385 0.000 1.350 111 I HN 0.182 nan 8.210 nan 0.000 0.464 112 S N 5.010 120.674 115.700 -0.060 0.000 2.439 112 S HA 0.144 4.614 4.470 -0.000 0.000 0.224 112 S C 0.746 175.288 174.600 -0.098 0.000 1.029 112 S CA 0.528 58.692 58.200 -0.059 0.000 0.946 112 S CB 0.164 63.345 63.200 -0.032 0.000 0.797 112 S HN 0.584 nan 8.310 nan 0.000 0.504 113 R N 1.158 121.581 120.500 -0.128 0.000 2.584 113 R HA 0.318 4.658 4.340 -0.000 0.000 0.276 113 R C -2.039 174.152 176.300 -0.181 0.000 1.046 113 R CA -0.283 55.713 56.100 -0.173 0.000 0.906 113 R CB 1.462 31.607 30.300 -0.259 0.000 1.215 113 R HN 0.135 nan 8.270 nan 0.000 0.449 114 E N 2.206 122.314 120.200 -0.152 0.000 2.176 114 E HA 0.292 4.641 4.350 -0.000 0.000 0.267 114 E C -0.759 175.822 176.600 -0.032 0.000 0.893 114 E CA -0.694 55.644 56.400 -0.104 0.000 0.761 114 E CB 2.415 32.054 29.700 -0.101 0.000 1.133 114 E HN 0.689 nan 8.360 nan 0.000 0.409 115 T N -0.495 114.096 114.554 0.062 0.000 2.907 115 T HA 0.425 4.775 4.350 -0.000 0.000 0.290 115 T C -1.188 173.684 174.700 0.287 0.000 1.066 115 T CA -0.770 61.425 62.100 0.159 0.000 1.012 115 T CB 1.078 70.054 68.868 0.180 0.000 1.184 115 T HN 0.412 nan 8.240 nan 0.000 0.522 116 Y N 1.080 121.477 120.300 0.163 0.000 2.341 116 Y HA 0.737 5.287 4.550 -0.000 0.000 0.337 116 Y C -1.368 174.607 175.900 0.125 0.000 1.014 116 Y CA -1.473 56.708 58.100 0.135 0.000 1.111 116 Y CB 1.363 39.870 38.460 0.080 0.000 1.194 116 Y HN 0.836 nan 8.280 nan 0.000 0.462 117 L N 5.688 126.633 121.223 -0.464 0.000 2.464 117 L HA 0.939 5.279 4.340 -0.000 0.000 0.266 117 L C -1.661 174.832 176.870 -0.628 0.000 0.965 117 L CA -0.295 54.292 54.840 -0.421 0.000 0.833 117 L CB 1.877 43.602 42.059 -0.558 0.000 1.296 117 L HN 0.796 nan 8.230 nan 0.000 0.405 118 A N 5.032 127.621 122.820 -0.385 0.000 2.587 118 A HA 0.881 5.201 4.320 -0.000 0.000 0.293 118 A C -1.641 175.804 177.584 -0.232 0.000 1.087 118 A CA -0.499 51.355 52.037 -0.305 0.000 0.692 118 A CB 1.458 20.348 19.000 -0.183 0.000 1.291 118 A HN 0.592 nan 8.150 nan 0.000 0.407 119 I N 1.535 121.928 120.570 -0.295 0.000 2.499 119 I HA 0.600 4.770 4.170 -0.000 0.000 0.288 119 I C -0.865 174.971 176.117 -0.468 0.000 1.048 119 I CA -0.620 60.382 61.300 -0.498 0.000 1.062 119 I CB 1.785 39.309 38.000 -0.793 0.000 1.238 119 I HN 0.780 nan 8.210 nan 0.000 0.426 120 L N 3.045 124.077 121.223 -0.318 0.000 2.469 120 L HA 0.665 5.005 4.340 -0.000 0.000 0.256 120 L C -1.234 175.713 176.870 0.129 0.000 1.006 120 L CA -1.018 53.830 54.840 0.013 0.000 0.832 120 L CB 2.196 44.283 42.059 0.046 0.000 1.421 120 L HN 0.333 nan 8.230 nan 0.000 0.410 121 M N 2.469 122.239 119.600 0.284 0.000 2.156 121 M HA 0.210 4.690 4.480 -0.000 0.000 0.345 121 M C -0.416 175.954 176.300 0.116 0.000 1.398 121 M CA 0.304 55.737 55.300 0.221 0.000 1.148 121 M CB -0.004 32.709 32.600 0.188 0.000 1.663 121 M HN 0.618 nan 8.290 nan 0.000 0.464 122 D N 3.327 123.776 120.400 0.082 0.000 2.317 122 D HA 0.126 4.765 4.640 -0.000 0.000 0.252 122 D C 0.692 177.019 176.300 0.044 0.000 1.174 122 D CA -0.058 53.972 54.000 0.051 0.000 0.866 122 D CB 1.086 41.907 40.800 0.035 0.000 1.127 122 D HN 0.547 nan 8.370 nan 0.000 0.467 123 R N 1.675 122.196 120.500 0.035 0.000 2.276 123 R HA -0.007 4.333 4.340 -0.000 0.000 0.203 123 R C 1.787 178.099 176.300 0.020 0.000 1.017 123 R CA 0.427 56.544 56.100 0.027 0.000 1.010 123 R CB 0.285 30.598 30.300 0.022 0.000 0.900 123 R HN 0.324 nan 8.270 nan 0.000 0.469 124 S N -0.152 115.558 115.700 0.017 0.000 2.446 124 S HA -0.054 4.416 4.470 -0.000 0.000 0.225 124 S C 1.526 176.134 174.600 0.012 0.000 1.016 124 S CA 0.619 58.825 58.200 0.011 0.000 0.943 124 S CB 0.283 63.486 63.200 0.005 0.000 0.786 124 S HN 0.599 nan 8.310 nan 0.000 0.508 125 C N 0.898 120.209 119.300 0.019 0.000 3.245 125 C HA 0.484 4.944 4.460 -0.000 0.000 0.254 125 C C 0.011 175.018 174.990 0.027 0.000 1.931 125 C CA -1.297 57.732 59.018 0.019 0.000 1.726 125 C CB -1.393 26.356 27.740 0.015 0.000 3.348 125 C HN 0.343 nan 8.230 nan 0.000 0.458 126 N N 1.621 120.340 118.700 0.032 0.000 2.693 126 N HA -0.108 4.632 4.740 -0.000 0.000 0.250 126 N C 0.335 175.877 175.510 0.053 0.000 1.033 126 N CA 1.947 55.021 53.050 0.040 0.000 0.747 126 N CB -1.250 37.257 38.487 0.032 0.000 0.964 126 N HN 1.200 nan 8.380 nan 0.000 0.540 127 G N -1.819 107.020 108.800 0.064 0.000 2.608 127 G HA2 0.576 4.536 3.960 -0.000 0.000 0.291 127 G HA3 0.576 4.536 3.960 -0.000 0.000 0.291 127 G C -3.345 171.623 174.900 0.113 0.000 1.425 127 G CA -0.902 44.251 45.100 0.087 0.000 0.787 127 G HN -0.095 nan 8.290 nan 0.000 0.484 128 P HA 0.428 nan 4.420 nan 0.000 0.271 128 P C -0.561 176.769 177.300 0.051 0.000 1.216 128 P CA -0.264 62.942 63.100 0.176 0.000 0.771 128 P CB 1.461 33.383 31.700 0.371 0.000 0.864 129 V N 4.295 124.197 119.914 -0.020 0.000 2.656 129 V HA 0.263 4.383 4.120 -0.000 0.000 0.307 129 V C -0.118 175.922 176.094 -0.089 0.000 1.051 129 V CA -0.795 61.483 62.300 -0.037 0.000 0.893 129 V CB 2.040 33.858 31.823 -0.008 0.000 0.999 129 V HN 0.317 nan 8.190 nan 0.000 0.426 130 L N 5.026 126.203 121.223 -0.077 0.000 2.290 130 L HA 0.540 4.880 4.340 -0.000 0.000 0.284 130 L C -0.245 176.617 176.870 -0.013 0.000 1.078 130 L CA 0.424 55.214 54.840 -0.083 0.000 0.815 130 L CB 1.472 43.483 42.059 -0.079 0.000 1.162 130 L HN 0.476 nan 8.230 nan 0.000 0.435 131 V N 3.507 123.428 119.914 0.013 0.000 2.540 131 V HA 0.926 5.046 4.120 -0.000 0.000 0.302 131 V C 0.295 176.507 176.094 0.196 0.000 1.035 131 V CA -0.477 61.894 62.300 0.118 0.000 0.873 131 V CB 1.454 33.374 31.823 0.162 0.000 0.992 131 V HN 0.842 nan 8.190 nan 0.000 0.428 132 G N 1.987 110.943 108.800 0.259 0.000 2.690 132 G HA2 0.683 4.643 3.960 -0.000 0.000 0.293 132 G HA3 0.683 4.643 3.960 -0.000 0.000 0.293 132 G C -1.425 173.705 174.900 0.383 0.000 1.399 132 G CA -0.533 44.758 45.100 0.318 0.000 0.890 132 G HN 0.765 nan 8.290 nan 0.000 0.485 133 S N 0.162 116.088 115.700 0.376 0.000 2.533 133 S HA 0.691 5.161 4.470 -0.000 0.000 0.271 133 S C -2.244 172.496 174.600 0.235 0.000 1.143 133 S CA -1.122 57.271 58.200 0.323 0.000 0.891 133 S CB 2.594 65.910 63.200 0.194 0.000 1.105 133 S HN 0.305 nan 8.310 nan 0.000 0.468 134 P HA -0.010 nan 4.420 nan 0.000 0.236 134 P C 0.060 177.396 177.300 0.059 0.000 1.177 134 P CA 0.384 63.526 63.100 0.070 0.000 0.773 134 P CB 0.006 31.724 31.700 0.030 0.000 0.878 135 Q N 1.182 121.034 119.800 0.087 0.000 2.835 135 Q HA 0.398 4.738 4.340 -0.000 0.000 0.235 135 Q C 0.241 176.283 176.000 0.069 0.000 1.313 135 Q CA -0.545 55.286 55.803 0.048 0.000 1.053 135 Q CB -0.210 28.543 28.738 0.026 0.000 1.443 135 Q HN 0.002 nan 8.270 nan 0.000 0.576 136 G N 0.069 108.915 108.800 0.077 0.000 2.557 136 G HA2 0.475 4.435 3.960 -0.000 0.000 0.292 136 G HA3 0.475 4.435 3.960 -0.000 0.000 0.292 136 G C 0.662 175.599 174.900 0.062 0.000 1.237 136 G CA -0.113 45.059 45.100 0.119 0.000 0.978 136 G HN 0.866 nan 8.290 nan 0.000 0.498 137 G N -2.598 106.249 108.800 0.077 0.000 2.184 137 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.264 137 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.264 137 G C 0.208 175.127 174.900 0.031 0.000 0.975 137 G CA 0.679 45.798 45.100 0.031 0.000 0.642 137 G HN 1.220 nan 8.290 nan 0.000 0.536 138 V N 0.195 120.136 119.914 0.045 0.000 3.113 138 V HA 0.559 4.679 4.120 -0.000 0.000 0.316 138 V C 0.041 176.145 176.094 0.018 0.000 1.125 138 V CA -0.857 61.453 62.300 0.017 0.000 1.026 138 V CB 1.883 33.702 31.823 -0.007 0.000 1.080 138 V HN 0.276 nan 8.190 nan 0.000 0.444 139 D N 1.242 121.636 120.400 -0.010 0.000 2.401 139 D HA 0.040 4.680 4.640 -0.000 0.000 0.254 139 D C 1.131 177.370 176.300 -0.101 0.000 1.192 139 D CA 0.157 54.141 54.000 -0.026 0.000 0.885 139 D CB 1.102 41.886 40.800 -0.027 0.000 1.147 139 D HN 0.585 nan 8.370 nan 0.000 0.478 140 I N 3.641 124.097 120.570 -0.190 0.000 2.335 140 I HA -0.274 3.896 4.170 -0.000 0.000 0.251 140 I C 1.482 177.452 176.117 -0.246 0.000 1.129 140 I CA 1.283 62.337 61.300 -0.411 0.000 1.402 140 I CB 0.194 37.700 38.000 -0.823 0.000 1.069 140 I HN 0.509 nan 8.210 nan 0.000 0.424 141 E N 0.550 120.661 120.200 -0.149 0.000 2.077 141 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 141 E C 1.979 178.525 176.600 -0.091 0.000 0.989 141 E CA 1.463 57.801 56.400 -0.103 0.000 0.800 141 E CB -0.098 29.562 29.700 -0.067 0.000 0.746 141 E HN 0.590 nan 8.360 nan 0.000 0.452 142 E N 0.409 120.561 120.200 -0.081 0.000 2.051 142 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 142 E C 2.235 178.790 176.600 -0.074 0.000 0.991 142 E CA 1.220 57.581 56.400 -0.065 0.000 0.799 142 E CB 0.003 29.672 29.700 -0.052 0.000 0.748 142 E HN 0.061 nan 8.360 nan 0.000 0.449 143 V N 1.475 121.332 119.914 -0.095 0.000 2.343 143 V HA -0.300 3.819 4.120 -0.000 0.000 0.247 143 V C 2.345 178.381 176.094 -0.097 0.000 1.051 143 V CA 1.827 64.072 62.300 -0.093 0.000 1.036 143 V CB -0.823 30.931 31.823 -0.114 0.000 0.654 143 V HN 0.331 nan 8.190 nan 0.000 0.451 144 A N 0.170 122.920 122.820 -0.117 0.000 1.873 144 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 144 A C 2.454 179.990 177.584 -0.080 0.000 1.193 144 A CA 2.555 54.530 52.037 -0.104 0.000 0.629 144 A CB -0.973 17.963 19.000 -0.106 0.000 0.826 144 A HN 0.591 nan 8.150 nan 0.000 0.447 145 A N -0.692 122.086 122.820 -0.070 0.000 1.858 145 A HA -0.079 4.240 4.320 -0.000 0.000 0.216 145 A C 2.474 180.027 177.584 -0.051 0.000 1.190 145 A CA 2.300 54.303 52.037 -0.055 0.000 0.617 145 A CB -0.945 18.026 19.000 -0.049 0.000 0.827 145 A HN 0.508 nan 8.150 nan 0.000 0.443 146 S N -0.029 115.640 115.700 -0.051 0.000 2.387 146 S HA -0.025 4.445 4.470 -0.000 0.000 0.226 146 S C 0.271 174.843 174.600 -0.047 0.000 1.026 146 S CA 1.189 59.362 58.200 -0.044 0.000 0.972 146 S CB -0.211 62.966 63.200 -0.039 0.000 0.814 146 S HN 0.682 nan 8.310 nan 0.000 0.477 147 N N 0.374 119.040 118.700 -0.057 0.000 2.726 147 N HA 0.227 4.967 4.740 -0.000 0.000 0.253 147 N C -2.448 173.010 175.510 -0.087 0.000 1.530 147 N CA -1.017 51.996 53.050 -0.062 0.000 0.772 147 N CB 1.559 40.019 38.487 -0.047 0.000 1.220 147 N HN 0.066 nan 8.380 nan 0.000 0.508 148 P HA -0.234 nan 4.420 nan 0.000 0.218 148 P C 0.493 177.689 177.300 -0.172 0.000 1.146 148 P CA 1.387 64.416 63.100 -0.118 0.000 0.813 148 P CB 0.555 32.197 31.700 -0.096 0.000 0.778 149 E N 0.218 120.319 120.200 -0.164 0.000 2.106 149 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 149 E C 2.123 178.513 176.600 -0.350 0.000 0.984 149 E CA 0.831 57.092 56.400 -0.231 0.000 0.806 149 E CB -0.507 29.111 29.700 -0.136 0.000 0.750 149 E HN 0.403 nan 8.360 nan 0.000 0.458 150 L N 0.951 122.062 121.223 -0.187 0.000 2.622 150 L HA 0.011 4.351 4.340 -0.000 0.000 0.233 150 L C 0.469 177.289 176.870 -0.083 0.000 1.156 150 L CA -0.055 54.747 54.840 -0.063 0.000 0.866 150 L CB -0.159 41.921 42.059 0.034 0.000 0.980 150 L HN -0.007 nan 8.230 nan 0.000 0.448 151 I N -0.286 120.125 120.570 -0.266 0.000 2.353 151 I HA 0.274 4.444 4.170 -0.000 0.000 0.293 151 I C -0.230 175.688 176.117 -0.332 0.000 0.992 151 I CA -0.103 61.107 61.300 -0.149 0.000 1.268 151 I CB 0.799 38.721 38.000 -0.132 0.000 1.387 151 I HN -0.219 nan 8.210 nan 0.000 0.478 152 F N 5.302 125.264 119.950 0.020 0.000 2.546 152 F HA 0.671 5.198 4.527 -0.000 0.000 0.320 152 F C 0.078 175.889 175.800 0.018 0.000 1.076 152 F CA -0.834 57.178 58.000 0.020 0.000 0.928 152 F CB 1.709 40.728 39.000 0.032 0.000 1.189 152 F HN 0.208 nan 8.300 nan 0.000 0.465 153 K N 1.479 121.981 120.400 0.169 0.000 2.502 153 K HA 0.526 4.846 4.320 -0.000 0.000 0.257 153 K C -1.459 175.181 176.600 0.068 0.000 0.938 153 K CA -1.140 55.202 56.287 0.092 0.000 0.819 153 K CB 2.959 35.485 32.500 0.042 0.000 1.333 153 K HN 0.392 nan 8.250 nan 0.000 0.434 154 E N 2.293 122.509 120.200 0.027 0.000 2.244 154 E HA 0.185 4.535 4.350 -0.000 0.000 0.260 154 E C -1.187 175.397 176.600 -0.027 0.000 0.884 154 E CA -0.860 55.538 56.400 -0.003 0.000 0.777 154 E CB 2.135 31.818 29.700 -0.028 0.000 1.197 154 E HN 0.365 nan 8.360 nan 0.000 0.416 155 Q N 1.746 121.534 119.800 -0.021 0.000 2.286 155 Q HA 0.337 4.677 4.340 -0.000 0.000 0.257 155 Q C -0.132 175.840 176.000 -0.045 0.000 0.941 155 Q CA -0.129 55.661 55.803 -0.020 0.000 0.912 155 Q CB 0.839 29.574 28.738 -0.005 0.000 1.192 155 Q HN 0.366 nan 8.270 nan 0.000 0.410 156 I N 1.734 122.273 120.570 -0.052 0.000 2.412 156 I HA 0.178 4.348 4.170 -0.000 0.000 0.296 156 I C 0.042 176.143 176.117 -0.027 0.000 0.987 156 I CA -0.812 60.426 61.300 -0.104 0.000 1.180 156 I CB 1.544 39.400 38.000 -0.240 0.000 1.340 156 I HN 0.594 nan 8.210 nan 0.000 0.455 157 D N 5.175 125.554 120.400 -0.035 0.000 2.336 157 D HA 0.028 4.668 4.640 -0.000 0.000 0.249 157 D C 1.159 177.486 176.300 0.046 0.000 1.213 157 D CA -0.274 53.731 54.000 0.009 0.000 0.870 157 D CB 1.141 41.939 40.800 -0.003 0.000 1.076 157 D HN 0.424 nan 8.370 nan 0.000 0.483 158 I N 5.491 126.115 120.570 0.089 0.000 2.248 158 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 158 I C 1.849 178.032 176.117 0.111 0.000 1.107 158 I CA 1.227 62.610 61.300 0.139 0.000 1.373 158 I CB 0.069 38.143 38.000 0.123 0.000 1.055 158 I HN 0.526 nan 8.210 nan 0.000 0.418 159 I N -0.178 120.433 120.570 0.069 0.000 2.286 159 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 159 I C 2.420 178.567 176.117 0.050 0.000 1.104 159 I CA 1.268 62.601 61.300 0.056 0.000 1.397 159 I CB -1.389 36.634 38.000 0.039 0.000 1.072 159 I HN 0.329 nan 8.210 nan 0.000 0.417 160 E N 0.412 120.632 120.200 0.034 0.000 2.072 160 E HA 0.102 4.452 4.350 -0.000 0.000 0.190 160 E C 0.937 177.550 176.600 0.021 0.000 0.982 160 E CA 0.836 57.247 56.400 0.017 0.000 0.803 160 E CB 0.096 29.793 29.700 -0.006 0.000 0.755 160 E HN 0.544 nan 8.360 nan 0.000 0.453 161 G N 0.330 109.140 108.800 0.018 0.000 2.603 161 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.686 161 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.686 161 G C -0.551 174.220 174.900 -0.215 0.000 1.286 161 G CA -0.420 44.687 45.100 0.012 0.000 0.871 161 G HN 0.294 nan 8.290 nan 0.000 0.568 162 I N 0.282 120.569 120.570 -0.473 0.000 2.648 162 I HA 0.405 4.575 4.170 -0.000 0.000 0.284 162 I C 0.656 176.649 176.117 -0.207 0.000 1.153 162 I CA -0.170 60.831 61.300 -0.498 0.000 1.426 162 I CB 0.211 37.809 38.000 -0.670 0.000 1.381 162 I HN 0.515 nan 8.210 nan 0.000 0.571 163 K N 5.220 125.524 120.400 -0.161 0.000 2.110 163 K HA 0.172 4.492 4.320 -0.000 0.000 0.263 163 K C 0.314 176.869 176.600 -0.075 0.000 0.975 163 K CA -0.452 55.782 56.287 -0.090 0.000 0.895 163 K CB 1.273 33.731 32.500 -0.069 0.000 1.060 163 K HN 0.567 nan 8.250 nan 0.000 0.448 164 D N 0.539 120.909 120.400 -0.049 0.000 2.133 164 D HA -0.235 4.405 4.640 -0.000 0.000 0.192 164 D C 1.707 177.985 176.300 -0.038 0.000 1.001 164 D CA 2.311 56.288 54.000 -0.037 0.000 0.844 164 D CB 0.162 40.947 40.800 -0.025 0.000 0.944 164 D HN 0.590 nan 8.370 nan 0.000 0.447 165 S N -0.320 115.359 115.700 -0.035 0.000 2.383 165 S HA -0.283 4.187 4.470 -0.000 0.000 0.229 165 S C 1.902 176.482 174.600 -0.035 0.000 1.030 165 S CA 1.051 59.234 58.200 -0.029 0.000 1.002 165 S CB -0.526 62.660 63.200 -0.024 0.000 0.829 165 S HN 0.356 nan 8.310 nan 0.000 0.467 166 Q N 1.434 121.203 119.800 -0.052 0.000 2.046 166 Q HA 0.121 4.461 4.340 -0.000 0.000 0.200 166 Q C 2.677 178.643 176.000 -0.057 0.000 0.975 166 Q CA 1.364 57.132 55.803 -0.059 0.000 0.836 166 Q CB -0.579 28.102 28.738 -0.096 0.000 0.896 166 Q HN 0.740 nan 8.270 nan 0.000 0.428 167 A N 0.724 123.505 122.820 -0.065 0.000 1.902 167 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 167 A C 2.076 179.641 177.584 -0.031 0.000 1.181 167 A CA 1.711 53.717 52.037 -0.053 0.000 0.623 167 A CB -0.499 18.471 19.000 -0.051 0.000 0.818 167 A HN 0.230 nan 8.150 nan 0.000 0.443 168 Q N -0.338 119.445 119.800 -0.028 0.000 2.079 168 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 168 Q C 2.191 178.182 176.000 -0.015 0.000 0.974 168 Q CA 2.006 57.798 55.803 -0.018 0.000 0.840 168 Q CB -0.300 28.428 28.738 -0.016 0.000 0.898 168 Q HN 0.641 nan 8.270 nan 0.000 0.430 169 R N -0.895 119.592 120.500 -0.021 0.000 2.083 169 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 169 R C 2.107 178.380 176.300 -0.046 0.000 1.137 169 R CA 1.877 57.962 56.100 -0.026 0.000 0.951 169 R CB -0.318 29.973 30.300 -0.015 0.000 0.851 169 R HN 0.343 nan 8.270 nan 0.000 0.434 170 M N 0.288 119.869 119.600 -0.032 0.000 2.117 170 M HA -0.009 4.471 4.480 -0.000 0.000 0.262 170 M C 1.982 178.288 176.300 0.010 0.000 1.065 170 M CA 1.960 57.242 55.300 -0.031 0.000 1.114 170 M CB -0.422 32.172 32.600 -0.009 0.000 1.361 170 M HN 0.234 nan 8.290 nan 0.000 0.408 171 A N -0.169 122.679 122.820 0.047 0.000 1.917 171 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 171 A C 2.037 179.710 177.584 0.150 0.000 1.182 171 A CA 2.205 54.321 52.037 0.132 0.000 0.633 171 A CB -0.948 18.074 19.000 0.037 0.000 0.819 171 A HN 0.705 nan 8.150 nan 0.000 0.448 172 E N -0.302 119.915 120.200 0.029 0.000 2.072 172 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 172 E C 1.803 178.330 176.600 -0.123 0.000 0.985 172 E CA 1.282 57.673 56.400 -0.014 0.000 0.801 172 E CB -0.301 29.375 29.700 -0.039 0.000 0.750 172 E HN 0.770 nan 8.360 nan 0.000 0.452 173 N N 0.558 119.095 118.700 -0.272 0.000 2.289 173 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 173 N C 1.558 176.762 175.510 -0.510 0.000 1.016 173 N CA 0.455 53.082 53.050 -0.704 0.000 0.872 173 N CB 0.032 37.768 38.487 -1.252 0.000 0.973 173 N HN 0.077 nan 8.380 nan 0.000 0.433 174 L N -0.671 120.461 121.223 -0.152 0.000 2.478 174 L HA 0.105 4.445 4.340 -0.000 0.000 0.223 174 L C 1.359 178.148 176.870 -0.134 0.000 1.140 174 L CA 0.332 55.170 54.840 -0.003 0.000 0.842 174 L CB -0.098 42.154 42.059 0.322 0.000 0.953 174 L HN 0.303 nan 8.230 nan 0.000 0.452 175 G N -0.796 107.927 108.800 -0.129 0.000 2.159 175 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.227 175 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.227 175 G C 0.105 174.863 174.900 -0.237 0.000 0.986 175 G CA -0.616 44.374 45.100 -0.183 0.000 0.651 175 G HN 0.121 nan 8.290 nan 0.000 0.523 176 F N 1.176 121.096 119.950 -0.049 0.000 2.484 176 F HA 0.539 5.066 4.527 -0.000 0.000 0.360 176 F C 1.496 177.272 175.800 -0.040 0.000 1.101 176 F CA -0.275 57.696 58.000 -0.049 0.000 1.251 176 F CB 0.556 39.527 39.000 -0.049 0.000 1.132 176 F HN 0.009 nan 8.300 nan 0.000 0.570 177 L N 2.333 123.625 121.223 0.115 0.000 2.468 177 L HA 0.291 4.631 4.340 -0.000 0.000 0.254 177 L C 1.817 178.730 176.870 0.073 0.000 1.171 177 L CA -0.059 54.819 54.840 0.063 0.000 0.809 177 L CB 0.174 42.250 42.059 0.028 0.000 1.155 177 L HN 0.829 nan 8.230 nan 0.000 0.473 178 G N 0.971 109.795 108.800 0.040 0.000 2.732 178 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.222 178 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.222 178 G C -0.799 174.118 174.900 0.028 0.000 1.203 178 G CA 1.144 46.261 45.100 0.029 0.000 0.780 178 G HN 0.610 nan 8.290 nan 0.000 0.621 179 P HA 0.050 nan 4.420 nan 0.000 0.220 179 P C 1.755 179.068 177.300 0.020 0.000 1.148 179 P CA 0.744 63.856 63.100 0.019 0.000 0.803 179 P CB -0.070 31.642 31.700 0.018 0.000 0.782 180 L N -1.695 119.558 121.223 0.049 0.000 2.513 180 L HA 0.096 4.436 4.340 -0.000 0.000 0.222 180 L C 2.460 179.317 176.870 -0.022 0.000 1.096 180 L CA 0.369 55.233 54.840 0.040 0.000 0.857 180 L CB -0.627 41.533 42.059 0.169 0.000 1.026 180 L HN -0.089 nan 8.230 nan 0.000 0.469 181 Q N 0.590 120.409 119.800 0.031 0.000 2.077 181 Q HA -0.276 4.064 4.340 -0.000 0.000 0.206 181 Q C 1.908 177.871 176.000 -0.060 0.000 0.989 181 Q CA 2.296 58.102 55.803 0.005 0.000 0.853 181 Q CB -0.104 28.654 28.738 0.033 0.000 0.907 181 Q HN 0.417 nan 8.270 nan 0.000 0.418 182 N N -0.147 118.528 118.700 -0.042 0.000 2.120 182 N HA -0.219 4.521 4.740 -0.000 0.000 0.188 182 N C 1.655 177.122 175.510 -0.072 0.000 1.024 182 N CA 1.369 54.392 53.050 -0.046 0.000 0.852 182 N CB 0.003 38.473 38.487 -0.028 0.000 1.003 182 N HN 0.218 nan 8.380 nan 0.000 0.424 183 Q N -0.366 119.376 119.800 -0.097 0.000 2.050 183 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 183 Q C 1.915 177.811 176.000 -0.175 0.000 0.980 183 Q CA 1.647 57.380 55.803 -0.118 0.000 0.840 183 Q CB -0.223 28.442 28.738 -0.122 0.000 0.898 183 Q HN 0.477 nan 8.270 nan 0.000 0.424 184 A N 0.763 123.382 122.820 -0.335 0.000 1.902 184 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 184 A C 2.275 179.805 177.584 -0.091 0.000 1.181 184 A CA 1.769 53.551 52.037 -0.424 0.000 0.623 184 A CB -0.966 17.380 19.000 -1.091 0.000 0.818 184 A HN 0.562 nan 8.150 nan 0.000 0.443 185 A N -0.228 122.539 122.820 -0.088 0.000 1.902 185 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 185 A C 1.842 179.412 177.584 -0.023 0.000 1.181 185 A CA 2.182 54.197 52.037 -0.037 0.000 0.623 185 A CB -0.690 18.289 19.000 -0.036 0.000 0.818 185 A HN 0.555 nan 8.150 nan 0.000 0.443 186 D N -1.199 119.184 120.400 -0.028 0.000 2.097 186 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 186 D C 2.158 178.462 176.300 0.007 0.000 0.989 186 D CA 1.381 55.374 54.000 -0.012 0.000 0.827 186 D CB -0.070 40.718 40.800 -0.019 0.000 0.966 186 D HN 0.295 nan 8.370 nan 0.000 0.456 187 Q N 0.077 119.893 119.800 0.026 0.000 2.061 187 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 187 Q C 2.623 178.634 176.000 0.018 0.000 0.984 187 Q CA 0.903 56.749 55.803 0.071 0.000 0.846 187 Q CB -0.454 28.411 28.738 0.211 0.000 0.902 187 Q HN 0.498 nan 8.270 nan 0.000 0.421 188 I N 0.743 121.308 120.570 -0.010 0.000 2.208 188 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 188 I C 2.371 178.471 176.117 -0.028 0.000 1.097 188 I CA 1.334 62.570 61.300 -0.107 0.000 1.363 188 I CB -0.233 37.705 38.000 -0.103 0.000 1.051 188 I HN 0.190 nan 8.210 nan 0.000 0.413 189 K N 0.781 121.183 120.400 0.004 0.000 2.057 189 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 189 K C 2.143 178.794 176.600 0.085 0.000 1.049 189 K CA 1.417 57.736 56.287 0.052 0.000 0.931 189 K CB -0.106 32.412 32.500 0.029 0.000 0.714 189 K HN 0.269 nan 8.250 nan 0.000 0.440 190 K N 0.762 121.187 120.400 0.042 0.000 2.097 190 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 190 K C 2.106 178.720 176.600 0.023 0.000 1.050 190 K CA 0.914 57.221 56.287 0.035 0.000 0.938 190 K CB -0.057 32.456 32.500 0.021 0.000 0.718 190 K HN 0.060 nan 8.250 nan 0.000 0.442 191 L N -0.275 120.947 121.223 -0.001 0.000 2.017 191 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 191 L C 2.445 179.312 176.870 -0.006 0.000 1.073 191 L CA 1.303 56.121 54.840 -0.037 0.000 0.745 191 L CB -0.481 41.500 42.059 -0.131 0.000 0.894 191 L HN 0.182 nan 8.230 nan 0.000 0.432 192 Y N 1.168 121.427 120.300 -0.069 0.000 2.128 192 Y HA -0.298 4.252 4.550 -0.000 0.000 0.284 192 Y C 2.519 178.477 175.900 0.098 0.000 1.154 192 Y CA 1.830 59.911 58.100 -0.033 0.000 1.149 192 Y CB -0.313 38.106 38.460 -0.068 0.000 0.976 192 Y HN 0.221 nan 8.280 nan 0.000 0.505 193 N N 0.415 119.117 118.700 0.004 0.000 2.223 193 N HA -0.159 4.581 4.740 -0.000 0.000 0.185 193 N C 1.857 177.322 175.510 -0.076 0.000 1.016 193 N CA 1.417 54.439 53.050 -0.047 0.000 0.863 193 N CB -0.528 37.997 38.487 0.064 0.000 0.983 193 N HN 0.478 nan 8.380 nan 0.000 0.429 194 L N 0.209 121.411 121.223 -0.035 0.000 2.072 194 L HA 0.008 4.348 4.340 -0.000 0.000 0.205 194 L C 2.091 178.939 176.870 -0.037 0.000 1.079 194 L CA 1.221 56.047 54.840 -0.024 0.000 0.752 194 L CB -0.913 41.143 42.059 -0.005 0.000 0.906 194 L HN 0.023 nan 8.230 nan 0.000 0.436 195 F N -0.090 119.723 119.950 -0.229 0.000 2.120 195 F HA -0.267 4.260 4.527 -0.000 0.000 0.300 195 F C 1.941 177.585 175.800 -0.260 0.000 1.095 195 F CA 2.096 59.940 58.000 -0.260 0.000 1.249 195 F CB -0.298 38.519 39.000 -0.305 0.000 0.995 195 F HN 0.088 nan 8.300 nan 0.000 0.480 196 L N 0.158 121.209 121.223 -0.288 0.000 2.044 196 L HA -0.181 4.158 4.340 -0.000 0.000 0.205 196 L C 2.614 179.344 176.870 -0.234 0.000 1.075 196 L CA 1.681 56.314 54.840 -0.346 0.000 0.747 196 L CB -0.788 41.105 42.059 -0.276 0.000 0.903 196 L HN 0.138 nan 8.230 nan 0.000 0.435 197 K N 1.196 121.507 120.400 -0.149 0.000 2.074 197 K HA -0.209 4.110 4.320 -0.000 0.000 0.209 197 K C 1.834 178.387 176.600 -0.079 0.000 1.048 197 K CA 1.856 58.089 56.287 -0.090 0.000 0.926 197 K CB -0.147 32.323 32.500 -0.050 0.000 0.713 197 K HN 0.478 nan 8.250 nan 0.000 0.444 198 I N -2.621 117.905 120.570 -0.072 0.000 3.812 198 I HA 0.078 4.248 4.170 -0.000 0.000 0.320 198 I C -0.748 175.380 176.117 0.019 0.000 1.276 198 I CA 0.112 61.426 61.300 0.023 0.000 1.164 198 I CB 0.052 38.144 38.000 0.152 0.000 1.009 198 I HN 0.076 nan 8.210 nan 0.000 0.431 199 D N 2.296 122.603 120.400 -0.155 0.000 2.723 199 D HA -0.156 4.484 4.640 -0.000 0.000 0.236 199 D C 0.538 176.720 176.300 -0.196 0.000 1.138 199 D CA 0.946 54.835 54.000 -0.185 0.000 0.676 199 D CB -0.665 40.090 40.800 -0.074 0.000 1.069 199 D HN 0.672 nan 8.370 nan 0.000 0.430 200 A N 0.071 122.630 122.820 -0.434 0.000 2.371 200 A HA 0.468 4.788 4.320 -0.000 0.000 0.257 200 A C 1.581 178.876 177.584 -0.481 0.000 1.089 200 A CA 0.563 52.318 52.037 -0.469 0.000 0.794 200 A CB 0.650 19.376 19.000 -0.456 0.000 1.029 200 A HN 0.271 nan 8.150 nan 0.000 0.488 201 T N -1.234 113.211 114.554 -0.181 0.000 3.037 201 T HA 0.271 4.621 4.350 -0.000 0.000 0.251 201 T C 0.435 175.249 174.700 0.189 0.000 1.079 201 T CA 0.705 62.795 62.100 -0.018 0.000 1.067 201 T CB -0.076 68.796 68.868 0.006 0.000 0.948 201 T HN 0.757 nan 8.240 nan 0.000 0.496 202 Q N 0.142 120.013 119.800 0.119 0.000 2.352 202 Q HA 0.560 4.900 4.340 -0.000 0.000 0.270 202 Q C -2.491 173.527 176.000 0.030 0.000 1.006 202 Q CA -0.666 55.225 55.803 0.147 0.000 0.880 202 Q CB 2.591 31.353 28.738 0.041 0.000 1.392 202 Q HN 0.136 nan 8.270 nan 0.000 0.401 203 V N 3.415 123.348 119.914 0.031 0.000 2.443 203 V HA 0.453 4.573 4.120 -0.000 0.000 0.293 203 V C -0.887 175.122 176.094 -0.142 0.000 1.021 203 V CA -0.480 61.775 62.300 -0.074 0.000 0.848 203 V CB 1.713 33.517 31.823 -0.032 0.000 0.998 203 V HN 0.753 nan 8.190 nan 0.000 0.424 204 E N 3.944 124.055 120.200 -0.149 0.000 2.199 204 E HA 0.651 5.001 4.350 -0.000 0.000 0.265 204 E C -1.790 174.684 176.600 -0.209 0.000 0.882 204 E CA -0.485 55.790 56.400 -0.209 0.000 0.759 204 E CB 2.218 31.847 29.700 -0.118 0.000 1.148 204 E HN 0.453 nan 8.360 nan 0.000 0.412 205 V N 4.984 124.715 119.914 -0.305 0.000 2.376 205 V HA 0.387 4.507 4.120 -0.000 0.000 0.287 205 V C -0.576 175.437 176.094 -0.135 0.000 1.015 205 V CA -0.842 61.367 62.300 -0.152 0.000 0.834 205 V CB 1.299 33.066 31.823 -0.092 0.000 1.001 205 V HN 0.579 nan 8.190 nan 0.000 0.428 206 N N 6.422 125.115 118.700 -0.011 0.000 2.571 206 N HA 0.447 5.187 4.740 -0.000 0.000 0.286 206 N C -3.052 172.524 175.510 0.110 0.000 1.138 206 N CA -1.206 51.887 53.050 0.071 0.000 0.859 206 N CB 3.255 41.823 38.487 0.135 0.000 1.414 206 N HN 0.340 nan 8.380 nan 0.000 0.529 207 P HA 0.256 nan 4.420 nan 0.000 0.284 207 P C -0.960 176.534 177.300 0.323 0.000 1.253 207 P CA -0.405 62.786 63.100 0.150 0.000 0.800 207 P CB 0.696 32.384 31.700 -0.019 0.000 0.961 208 F N 3.198 123.235 119.950 0.145 0.000 2.351 208 F HA 0.556 5.083 4.527 -0.000 0.000 0.362 208 F C 0.135 176.114 175.800 0.298 0.000 1.131 208 F CA -0.563 57.556 58.000 0.200 0.000 1.187 208 F CB -0.040 39.035 39.000 0.124 0.000 1.434 208 F HN 0.352 nan 8.300 nan 0.000 0.553 209 G N 3.815 112.787 108.800 0.287 0.000 2.552 209 G HA2 0.425 4.385 3.960 -0.000 0.000 0.324 209 G HA3 0.425 4.385 3.960 -0.000 0.000 0.324 209 G C -1.529 173.517 174.900 0.244 0.000 1.217 209 G CA -0.700 44.523 45.100 0.206 0.000 0.989 209 G HN 0.546 nan 8.290 nan 0.000 0.490 210 E N -0.720 119.559 120.200 0.131 0.000 2.222 210 E HA 0.508 4.858 4.350 -0.000 0.000 0.267 210 E C -0.186 176.491 176.600 0.127 0.000 0.884 210 E CA -0.663 55.828 56.400 0.151 0.000 0.764 210 E CB 1.548 31.277 29.700 0.048 0.000 1.169 210 E HN 0.579 nan 8.360 nan 0.000 0.413 211 T N 0.909 115.554 114.554 0.153 0.000 2.943 211 T HA 0.377 4.727 4.350 -0.000 0.000 0.284 211 T C -2.036 172.705 174.700 0.067 0.000 1.015 211 T CA -1.963 60.216 62.100 0.132 0.000 1.042 211 T CB 1.500 70.458 68.868 0.150 0.000 1.055 211 T HN 0.198 nan 8.240 nan 0.000 0.500 212 P HA -0.064 nan 4.420 nan 0.000 0.218 212 P C 0.778 178.095 177.300 0.029 0.000 1.146 212 P CA 0.994 64.110 63.100 0.027 0.000 0.813 212 P CB -0.006 31.708 31.700 0.022 0.000 0.778 213 E N -1.529 118.692 120.200 0.036 0.000 2.511 213 E HA 0.216 4.565 4.350 -0.000 0.000 0.196 213 E C 1.334 177.950 176.600 0.027 0.000 1.066 213 E CA 0.686 57.103 56.400 0.028 0.000 0.871 213 E CB -0.956 28.760 29.700 0.026 0.000 0.863 213 E HN 0.170 nan 8.360 nan 0.000 0.520 214 G N 0.537 109.359 108.800 0.036 0.000 2.142 214 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.225 214 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.225 214 G C -0.227 174.690 174.900 0.029 0.000 1.015 214 G CA -0.320 44.802 45.100 0.037 0.000 0.716 214 G HN 0.073 nan 8.290 nan 0.000 0.508 215 Q N -0.338 119.483 119.800 0.034 0.000 2.256 215 Q HA 0.589 4.929 4.340 -0.000 0.000 0.257 215 Q C 0.098 176.106 176.000 0.015 0.000 0.936 215 Q CA -0.652 55.156 55.803 0.008 0.000 0.903 215 Q CB 2.253 30.990 28.738 -0.003 0.000 1.263 215 Q HN 0.233 nan 8.270 nan 0.000 0.440 216 V N 3.284 123.163 119.914 -0.058 0.000 2.348 216 V HA 0.333 4.453 4.120 -0.000 0.000 0.270 216 V C -0.201 175.813 176.094 -0.132 0.000 1.037 216 V CA -0.431 61.777 62.300 -0.152 0.000 0.872 216 V CB 1.327 32.925 31.823 -0.375 0.000 1.002 216 V HN 0.446 nan 8.190 nan 0.000 0.464 217 V N 4.187 124.053 119.914 -0.081 0.000 2.588 217 V HA 0.304 4.424 4.120 -0.000 0.000 0.304 217 V C -0.055 176.019 176.094 -0.032 0.000 1.042 217 V CA -0.668 61.531 62.300 -0.169 0.000 0.877 217 V CB 2.034 33.525 31.823 -0.553 0.000 0.996 217 V HN 0.867 nan 8.190 nan 0.000 0.425 218 C N 5.245 124.559 119.300 0.024 0.000 2.345 218 C HA 0.276 4.736 4.460 -0.000 0.000 0.349 218 C C 1.526 176.535 174.990 0.033 0.000 1.130 218 C CA -0.311 58.808 59.018 0.169 0.000 1.574 218 C CB -1.827 25.993 27.740 0.134 0.000 2.108 218 C HN 0.854 nan 8.230 nan 0.000 0.516 219 F N 1.043 121.038 119.950 0.076 0.000 2.206 219 F HA 0.037 4.564 4.527 -0.000 0.000 0.298 219 F C 1.341 177.155 175.800 0.023 0.000 1.090 219 F CA 1.240 59.267 58.000 0.044 0.000 1.323 219 F CB -0.013 39.011 39.000 0.040 0.000 1.028 219 F HN 0.447 nan 8.300 nan 0.000 0.492 220 D N -0.963 119.561 120.400 0.206 0.000 2.756 220 D HA 0.627 5.267 4.640 -0.000 0.000 0.226 220 D C -1.302 175.028 176.300 0.050 0.000 1.186 220 D CA -0.517 53.542 54.000 0.098 0.000 0.845 220 D CB 1.857 42.715 40.800 0.097 0.000 1.610 220 D HN 0.034 nan 8.370 nan 0.000 0.465 221 A N 2.473 125.294 122.820 0.001 0.000 2.515 221 A HA 0.758 5.078 4.320 -0.000 0.000 0.298 221 A C -1.332 176.223 177.584 -0.049 0.000 1.059 221 A CA -0.804 51.213 52.037 -0.033 0.000 0.698 221 A CB 1.725 20.699 19.000 -0.043 0.000 1.289 221 A HN 0.273 nan 8.150 nan 0.000 0.404 222 K N 1.715 122.074 120.400 -0.069 0.000 2.426 222 K HA 0.629 4.949 4.320 -0.000 0.000 0.254 222 K C -1.478 175.046 176.600 -0.128 0.000 0.936 222 K CA -0.111 56.132 56.287 -0.074 0.000 0.801 222 K CB 1.632 34.105 32.500 -0.046 0.000 1.139 222 K HN 0.661 nan 8.250 nan 0.000 0.424 223 I N 2.694 123.154 120.570 -0.183 0.000 2.466 223 I HA 0.267 4.437 4.170 -0.000 0.000 0.289 223 I C -0.483 175.379 176.117 -0.425 0.000 1.026 223 I CA -0.927 60.145 61.300 -0.378 0.000 1.078 223 I CB 1.795 39.428 38.000 -0.612 0.000 1.249 223 I HN 0.253 nan 8.210 nan 0.000 0.429 224 N N 6.442 124.925 118.700 -0.361 0.000 2.437 224 N HA 0.425 5.165 4.740 -0.000 0.000 0.259 224 N C -1.019 174.306 175.510 -0.308 0.000 0.983 224 N CA -0.197 52.728 53.050 -0.208 0.000 0.937 224 N CB 0.972 39.408 38.487 -0.083 0.000 1.122 224 N HN 0.275 nan 8.380 nan 0.000 0.499 225 F N 0.044 119.945 119.950 -0.082 0.000 2.399 225 F HA 0.154 4.681 4.527 -0.000 0.000 0.334 225 F C 1.157 176.983 175.800 0.042 0.000 1.097 225 F CA -1.050 56.908 58.000 -0.070 0.000 1.076 225 F CB 0.787 39.670 39.000 -0.195 0.000 1.162 225 F HN 0.268 nan 8.300 nan 0.000 0.495 226 D N 2.633 123.170 120.400 0.229 0.000 2.363 226 D HA -0.030 4.610 4.640 -0.000 0.000 0.263 226 D C 0.823 177.299 176.300 0.294 0.000 1.258 226 D CA 0.204 54.308 54.000 0.174 0.000 0.907 226 D CB 0.428 41.267 40.800 0.066 0.000 1.107 226 D HN 0.423 nan 8.370 nan 0.000 0.495 227 D N 3.286 123.844 120.400 0.263 0.000 2.182 227 D HA -0.175 4.465 4.640 -0.000 0.000 0.201 227 D C 1.099 177.411 176.300 0.021 0.000 0.986 227 D CA 0.748 54.890 54.000 0.237 0.000 0.847 227 D CB 0.109 41.019 40.800 0.182 0.000 0.942 227 D HN 0.449 nan 8.370 nan 0.000 0.467 228 N N 0.457 119.188 118.700 0.050 0.000 2.443 228 N HA -0.065 4.675 4.740 -0.000 0.000 0.184 228 N C 1.214 176.745 175.510 0.036 0.000 1.037 228 N CA 0.615 53.696 53.050 0.052 0.000 0.896 228 N CB -0.084 38.451 38.487 0.080 0.000 0.959 228 N HN 0.119 nan 8.380 nan 0.000 0.442 229 A N -0.056 122.706 122.820 -0.097 0.000 2.379 229 A HA 0.066 4.386 4.320 -0.000 0.000 0.236 229 A C 1.818 179.061 177.584 -0.568 0.000 1.272 229 A CA -0.104 51.736 52.037 -0.328 0.000 0.886 229 A CB -0.270 18.612 19.000 -0.196 0.000 0.962 229 A HN 0.295 nan 8.150 nan 0.000 0.504 230 E N 0.373 120.110 120.200 -0.772 0.000 2.097 230 E HA -0.269 4.081 4.350 -0.000 0.000 0.196 230 E C 1.597 177.892 176.600 -0.508 0.000 1.000 230 E CA 1.958 57.639 56.400 -1.199 0.000 0.804 230 E CB -0.392 28.476 29.700 -1.386 0.000 0.740 230 E HN 0.804 nan 8.360 nan 0.000 0.454 231 F N 1.499 121.271 119.950 -0.296 0.000 2.192 231 F HA -0.148 4.378 4.527 -0.000 0.000 0.301 231 F C 2.113 177.845 175.800 -0.114 0.000 1.079 231 F CA 1.405 59.305 58.000 -0.167 0.000 1.303 231 F CB -0.517 38.410 39.000 -0.122 0.000 1.024 231 F HN -0.049 nan 8.300 nan 0.000 0.494 232 R N -0.112 119.864 120.500 -0.873 0.000 2.468 232 R HA 0.252 4.592 4.340 -0.000 0.000 0.280 232 R C -0.004 176.123 176.300 -0.289 0.000 0.963 232 R CA -0.080 55.710 56.100 -0.517 0.000 1.083 232 R CB -0.073 29.833 30.300 -0.656 0.000 1.200 232 R HN 0.280 nan 8.270 nan 0.000 0.541 233 Q N 0.982 120.648 119.800 -0.224 0.000 2.215 233 Q HA 0.191 4.531 4.340 -0.000 0.000 0.337 233 Q C 0.002 176.038 176.000 0.061 0.000 0.887 233 Q CA -0.165 55.622 55.803 -0.027 0.000 1.134 233 Q CB 1.559 30.384 28.738 0.145 0.000 1.303 233 Q HN 0.047 nan 8.270 nan 0.000 0.421 234 K N 1.072 121.461 120.400 -0.018 0.000 2.034 234 K HA -0.184 4.135 4.320 -0.000 0.000 0.214 234 K C 1.144 177.766 176.600 0.035 0.000 1.051 234 K CA 1.924 58.217 56.287 0.010 0.000 0.931 234 K CB 0.185 32.681 32.500 -0.006 0.000 0.715 234 K HN 0.196 nan 8.250 nan 0.000 0.446 235 D N -0.342 120.060 120.400 0.004 0.000 2.218 235 D HA -0.107 4.533 4.640 -0.000 0.000 0.204 235 D C 1.888 178.153 176.300 -0.059 0.000 0.976 235 D CA 0.925 54.914 54.000 -0.018 0.000 0.853 235 D CB 0.006 40.793 40.800 -0.022 0.000 0.939 235 D HN 0.272 nan 8.370 nan 0.000 0.481 236 I N -0.357 120.163 120.570 -0.082 0.000 2.333 236 I HA -0.179 3.991 4.170 -0.000 0.000 0.246 236 I C 1.743 177.644 176.117 -0.360 0.000 1.106 236 I CA 0.497 61.626 61.300 -0.285 0.000 1.411 236 I CB -0.028 37.697 38.000 -0.458 0.000 1.082 236 I HN -0.147 nan 8.210 nan 0.000 0.420 237 F N 0.927 120.716 119.950 -0.268 0.000 2.451 237 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 237 F C 2.478 178.192 175.800 -0.143 0.000 1.101 237 F CA 0.911 58.782 58.000 -0.214 0.000 1.436 237 F CB -0.719 38.189 39.000 -0.153 0.000 1.074 237 F HN -0.003 nan 8.300 nan 0.000 0.553 238 A N -0.369 122.464 122.820 0.022 0.000 2.067 238 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 238 A C 2.135 179.694 177.584 -0.042 0.000 1.158 238 A CA 1.176 53.214 52.037 0.001 0.000 0.661 238 A CB -0.679 18.320 19.000 -0.001 0.000 0.801 238 A HN 0.350 nan 8.150 nan 0.000 0.452 239 M N -0.136 119.399 119.600 -0.108 0.000 2.619 239 M HA -0.003 4.476 4.480 -0.000 0.000 0.251 239 M C 0.135 176.354 176.300 -0.134 0.000 1.106 239 M CA 0.237 55.465 55.300 -0.122 0.000 1.086 239 M CB -0.239 32.253 32.600 -0.180 0.000 1.465 239 M HN 0.246 nan 8.290 nan 0.000 0.506 240 D N 1.422 121.732 120.400 -0.149 0.000 2.338 240 D HA 0.004 4.643 4.640 -0.000 0.000 0.255 240 D C 0.510 176.783 176.300 -0.044 0.000 1.237 240 D CA 0.190 54.115 54.000 -0.125 0.000 0.883 240 D CB 0.690 41.399 40.800 -0.152 0.000 1.087 240 D HN 0.002 nan 8.370 nan 0.000 0.485 241 D N 3.053 123.437 120.400 -0.027 0.000 2.087 241 D HA -0.168 4.472 4.640 -0.000 0.000 0.192 241 D C 0.896 177.202 176.300 0.010 0.000 0.993 241 D CA 1.208 55.210 54.000 0.004 0.000 0.828 241 D CB 0.187 40.999 40.800 0.020 0.000 0.968 241 D HN 0.631 nan 8.370 nan 0.000 0.448 242 K N -1.826 118.581 120.400 0.010 0.000 3.553 242 K HA -0.184 4.135 4.320 -0.000 0.000 0.303 242 K C 1.316 177.929 176.600 0.023 0.000 1.327 242 K CA 0.788 57.087 56.287 0.020 0.000 0.983 242 K CB -1.737 30.776 32.500 0.020 0.000 1.275 242 K HN 0.213 nan 8.250 nan 0.000 0.453 243 S N 0.405 116.119 115.700 0.024 0.000 2.423 243 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 243 S C 1.359 175.978 174.600 0.032 0.000 1.014 243 S CA 1.171 59.388 58.200 0.028 0.000 0.965 243 S CB 0.027 63.248 63.200 0.034 0.000 0.785 243 S HN 0.425 nan 8.310 nan 0.000 0.495 244 E N 1.118 121.338 120.200 0.033 0.000 2.489 244 E HA 0.160 4.509 4.350 -0.000 0.000 0.193 244 E C -0.363 176.260 176.600 0.038 0.000 1.057 244 E CA -0.293 56.128 56.400 0.036 0.000 0.866 244 E CB -0.016 29.705 29.700 0.034 0.000 0.916 244 E HN 0.484 nan 8.360 nan 0.000 0.500 245 N N 2.497 121.220 118.700 0.038 0.000 2.513 245 N HA -0.027 4.713 4.740 -0.000 0.000 0.268 245 N C -0.106 175.433 175.510 0.048 0.000 1.180 245 N CA 0.245 53.324 53.050 0.048 0.000 0.948 245 N CB 0.751 39.266 38.487 0.047 0.000 1.083 245 N HN 0.178 nan 8.380 nan 0.000 0.455 246 E N 3.449 123.690 120.200 0.067 0.000 2.480 246 E HA -0.028 4.322 4.350 -0.000 0.000 0.258 246 E C -1.494 175.127 176.600 0.036 0.000 0.984 246 E CA -1.252 55.188 56.400 0.067 0.000 0.930 246 E CB 0.818 30.591 29.700 0.121 0.000 0.936 246 E HN 0.315 nan 8.360 nan 0.000 0.466 247 P HA -0.219 nan 4.420 nan 0.000 0.216 247 P C 1.163 178.429 177.300 -0.057 0.000 1.157 247 P CA 1.395 64.487 63.100 -0.012 0.000 0.880 247 P CB 0.047 31.742 31.700 -0.008 0.000 0.791 248 I N -0.406 120.097 120.570 -0.112 0.000 2.145 248 I HA -0.298 3.872 4.170 -0.000 0.000 0.244 248 I C 2.528 178.455 176.117 -0.316 0.000 1.075 248 I CA 1.728 62.863 61.300 -0.274 0.000 1.332 248 I CB -0.766 36.939 38.000 -0.492 0.000 1.033 248 I HN 0.045 nan 8.210 nan 0.000 0.410 249 E N 1.057 121.144 120.200 -0.189 0.000 2.085 249 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 249 E C 1.924 178.533 176.600 0.014 0.000 0.994 249 E CA 1.345 57.748 56.400 0.005 0.000 0.801 249 E CB 0.057 29.874 29.700 0.196 0.000 0.743 249 E HN 0.473 nan 8.360 nan 0.000 0.453 250 N N 0.477 119.175 118.700 -0.002 0.000 2.216 250 N HA -0.151 4.588 4.740 -0.000 0.000 0.183 250 N C 1.713 177.208 175.510 -0.025 0.000 1.017 250 N CA 0.896 53.944 53.050 -0.003 0.000 0.861 250 N CB -0.215 38.270 38.487 -0.003 0.000 0.986 250 N HN 0.158 nan 8.380 nan 0.000 0.428 251 E N 1.428 121.611 120.200 -0.028 0.000 2.031 251 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 251 E C 1.864 178.499 176.600 0.057 0.000 0.994 251 E CA 1.368 57.772 56.400 0.006 0.000 0.800 251 E CB -0.487 29.230 29.700 0.030 0.000 0.752 251 E HN 0.272 nan 8.360 nan 0.000 0.447 252 A N 1.007 123.852 122.820 0.041 0.000 1.884 252 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 252 A C 2.489 180.133 177.584 0.101 0.000 1.197 252 A CA 2.939 55.033 52.037 0.095 0.000 0.637 252 A CB -1.366 17.650 19.000 0.026 0.000 0.827 252 A HN 0.393 nan 8.150 nan 0.000 0.450 253 A N -0.135 122.713 122.820 0.047 0.000 1.917 253 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 253 A C 2.031 179.587 177.584 -0.046 0.000 1.182 253 A CA 2.101 54.155 52.037 0.027 0.000 0.633 253 A CB -0.604 18.413 19.000 0.028 0.000 0.819 253 A HN 0.635 nan 8.150 nan 0.000 0.448 254 K N -1.626 118.678 120.400 -0.160 0.000 2.173 254 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 254 K C 0.364 176.707 176.600 -0.428 0.000 1.046 254 K CA 1.722 57.787 56.287 -0.370 0.000 0.929 254 K CB -0.352 31.768 32.500 -0.633 0.000 0.720 254 K HN 0.706 nan 8.250 nan 0.000 0.453 255 Y N 0.909 121.206 120.300 -0.005 0.000 2.756 255 Y HA 0.132 4.682 4.550 -0.000 0.000 0.300 255 Y C -0.690 175.203 175.900 -0.011 0.000 1.113 255 Y CA -0.944 57.151 58.100 -0.009 0.000 1.291 255 Y CB -0.376 38.074 38.460 -0.017 0.000 1.175 255 Y HN 0.053 nan 8.280 nan 0.000 0.534 256 D N 0.592 121.041 120.400 0.082 0.000 2.701 256 D HA -0.210 4.430 4.640 -0.000 0.000 0.235 256 D C -0.993 175.348 176.300 0.068 0.000 1.155 256 D CA 0.832 54.871 54.000 0.064 0.000 0.649 256 D CB -1.110 39.722 40.800 0.052 0.000 1.050 256 D HN 0.366 nan 8.370 nan 0.000 0.425 257 L N -0.096 121.176 121.223 0.082 0.000 2.333 257 L HA 0.400 4.740 4.340 -0.000 0.000 0.280 257 L C 0.517 177.453 176.870 0.110 0.000 1.004 257 L CA -0.809 54.069 54.840 0.062 0.000 0.820 257 L CB 1.637 43.719 42.059 0.040 0.000 1.247 257 L HN -0.175 nan 8.230 nan 0.000 0.416 258 K N 3.707 124.183 120.400 0.127 0.000 2.299 258 K HA 0.296 4.616 4.320 -0.000 0.000 0.268 258 K C -1.219 175.567 176.600 0.311 0.000 1.075 258 K CA -0.420 56.001 56.287 0.223 0.000 0.936 258 K CB 0.931 33.591 32.500 0.267 0.000 1.228 258 K HN 0.309 nan 8.250 nan 0.000 0.454 259 Y N 4.009 124.412 120.300 0.172 0.000 2.361 259 Y HA 0.425 4.975 4.550 -0.000 0.000 0.332 259 Y C -0.753 175.285 175.900 0.229 0.000 1.101 259 Y CA -1.152 57.061 58.100 0.189 0.000 1.137 259 Y CB 0.875 39.391 38.460 0.094 0.000 1.207 259 Y HN 0.349 nan 8.280 nan 0.000 0.463 260 I N 5.823 126.249 120.570 -0.239 0.000 2.497 260 I HA 0.268 4.437 4.170 -0.000 0.000 0.284 260 I C 0.265 176.063 176.117 -0.532 0.000 1.060 260 I CA -0.545 60.632 61.300 -0.206 0.000 1.071 260 I CB 1.124 39.041 38.000 -0.138 0.000 1.216 260 I HN 0.879 nan 8.210 nan 0.000 0.442 261 G N 6.767 115.347 108.800 -0.367 0.000 2.442 261 G HA2 0.533 4.493 3.960 -0.000 0.000 0.249 261 G HA3 0.533 4.493 3.960 -0.000 0.000 0.249 261 G C -0.254 174.591 174.900 -0.090 0.000 1.263 261 G CA -0.121 44.859 45.100 -0.200 0.000 0.846 261 G HN 0.493 nan 8.290 nan 0.000 0.555 262 L N 0.605 121.796 121.223 -0.054 0.000 2.211 262 L HA 0.505 4.845 4.340 -0.000 0.000 0.259 262 L C -0.463 176.420 176.870 0.021 0.000 1.031 262 L CA -1.051 53.776 54.840 -0.021 0.000 0.877 262 L CB 1.940 43.986 42.059 -0.022 0.000 1.457 262 L HN 0.321 nan 8.230 nan 0.000 0.466 263 D N 0.313 120.728 120.400 0.025 0.000 2.473 263 D HA 0.550 5.190 4.640 -0.000 0.000 0.226 263 D C -0.512 175.821 176.300 0.055 0.000 1.089 263 D CA 0.245 54.270 54.000 0.043 0.000 0.883 263 D CB 1.157 41.978 40.800 0.036 0.000 1.029 263 D HN 0.670 nan 8.370 nan 0.000 0.517 264 G N 2.231 111.068 108.800 0.062 0.000 2.495 264 G HA2 0.105 4.065 3.960 -0.000 0.000 0.294 264 G HA3 0.105 4.065 3.960 -0.000 0.000 0.294 264 G C 0.037 174.977 174.900 0.067 0.000 1.397 264 G CA -0.671 44.469 45.100 0.068 0.000 0.790 264 G HN 0.307 nan 8.290 nan 0.000 0.486 265 N N -1.080 117.658 118.700 0.063 0.000 2.171 265 N HA 0.181 4.921 4.740 -0.000 0.000 0.212 265 N C 0.048 175.595 175.510 0.061 0.000 1.184 265 N CA -0.011 53.075 53.050 0.060 0.000 0.888 265 N CB 0.742 39.258 38.487 0.049 0.000 1.038 265 N HN 0.410 nan 8.380 nan 0.000 0.517 266 I N 1.428 122.036 120.570 0.062 0.000 2.371 266 I HA 0.442 4.612 4.170 -0.000 0.000 0.282 266 I C 0.002 176.158 176.117 0.064 0.000 1.031 266 I CA -0.931 60.404 61.300 0.058 0.000 1.180 266 I CB 1.254 39.283 38.000 0.048 0.000 1.336 266 I HN 0.028 nan 8.210 nan 0.000 0.467 267 A N 6.043 128.909 122.820 0.077 0.000 2.351 267 A HA 0.671 4.991 4.320 -0.000 0.000 0.257 267 A C -0.045 177.576 177.584 0.062 0.000 1.087 267 A CA -0.296 51.797 52.037 0.093 0.000 0.798 267 A CB 0.525 19.605 19.000 0.133 0.000 1.033 267 A HN 0.929 nan 8.150 nan 0.000 0.488 268 C N -0.561 118.775 119.300 0.060 0.000 3.239 268 C HA 0.925 5.385 4.460 -0.000 0.000 0.317 268 C C -1.028 174.001 174.990 0.064 0.000 1.310 268 C CA -1.088 57.928 59.018 -0.002 0.000 1.371 268 C CB 0.465 28.183 27.740 -0.036 0.000 1.714 268 C HN 1.507 nan 8.230 nan 0.000 0.473 269 F N 0.233 120.098 119.950 -0.142 0.000 2.588 269 F HA 0.893 5.420 4.527 -0.000 0.000 0.314 269 F C -1.377 174.325 175.800 -0.162 0.000 1.134 269 F CA -1.067 56.821 58.000 -0.187 0.000 0.961 269 F CB 0.861 39.726 39.000 -0.224 0.000 1.239 269 F HN 0.630 nan 8.300 nan 0.000 0.448 270 V N 2.530 122.484 119.914 0.067 0.000 3.078 270 V HA 0.510 4.630 4.120 -0.000 0.000 0.311 270 V C -1.214 174.895 176.094 0.024 0.000 1.138 270 V CA -1.063 61.235 62.300 -0.004 0.000 1.007 270 V CB 2.445 34.221 31.823 -0.078 0.000 1.045 270 V HN 0.905 nan 8.190 nan 0.000 0.432 271 N N 1.766 120.491 118.700 0.042 0.000 2.437 271 N HA 0.648 5.388 4.740 -0.000 0.000 0.259 271 N C -0.130 175.395 175.510 0.024 0.000 0.983 271 N CA 0.248 53.323 53.050 0.041 0.000 0.937 271 N CB 1.609 40.140 38.487 0.072 0.000 1.122 271 N HN 1.426 nan 8.380 nan 0.000 0.499 272 G N 0.127 108.931 108.800 0.007 0.000 3.233 272 G HA2 0.233 4.192 3.960 -0.000 0.000 0.686 272 G HA3 0.233 4.192 3.960 -0.000 0.000 0.686 272 G C 0.495 175.413 174.900 0.031 0.000 1.153 272 G CA -0.300 44.813 45.100 0.022 0.000 0.853 272 G HN 0.789 nan 8.290 nan 0.000 0.582 273 A N 1.261 124.138 122.820 0.095 0.000 1.902 273 A HA 0.253 4.573 4.320 -0.000 0.000 0.217 273 A C 2.786 180.501 177.584 0.219 0.000 1.181 273 A CA 2.751 54.924 52.037 0.227 0.000 0.623 273 A CB -0.765 18.383 19.000 0.247 0.000 0.818 273 A HN 2.298 nan 8.150 nan 0.000 0.443 274 G N -0.485 108.384 108.800 0.115 0.000 2.402 274 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.216 274 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.216 274 G C 1.465 176.412 174.900 0.078 0.000 1.162 274 G CA 1.140 46.292 45.100 0.086 0.000 0.777 274 G HN 0.444 nan 8.290 nan 0.000 0.539 275 L N 1.369 122.622 121.223 0.050 0.000 2.056 275 L HA 0.211 4.551 4.340 -0.000 0.000 0.207 275 L C 3.046 179.935 176.870 0.031 0.000 1.078 275 L CA 1.970 56.830 54.840 0.033 0.000 0.749 275 L CB -0.780 41.293 42.059 0.023 0.000 0.901 275 L HN 0.233 nan 8.230 nan 0.000 0.433 276 A N -0.771 122.052 122.820 0.005 0.000 1.877 276 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 276 A C 2.306 179.962 177.584 0.119 0.000 1.186 276 A CA 2.168 54.149 52.037 -0.093 0.000 0.620 276 A CB -0.549 18.118 19.000 -0.556 0.000 0.822 276 A HN 0.501 nan 8.150 nan 0.000 0.443 277 M N -0.644 119.134 119.600 0.297 0.000 2.117 277 M HA -0.166 4.313 4.480 -0.000 0.000 0.262 277 M C 2.522 178.898 176.300 0.127 0.000 1.065 277 M CA 1.467 56.923 55.300 0.260 0.000 1.114 277 M CB -0.411 32.289 32.600 0.168 0.000 1.361 277 M HN 0.497 nan 8.290 nan 0.000 0.408 278 A N -0.318 122.557 122.820 0.092 0.000 1.972 278 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 278 A C 2.132 179.752 177.584 0.061 0.000 1.169 278 A CA 2.114 54.189 52.037 0.063 0.000 0.635 278 A CB -1.010 18.019 19.000 0.048 0.000 0.810 278 A HN 0.468 nan 8.150 nan 0.000 0.446 279 T N -0.712 113.874 114.554 0.053 0.000 2.777 279 T HA -0.159 4.190 4.350 -0.000 0.000 0.266 279 T C 1.927 176.661 174.700 0.055 0.000 1.040 279 T CA 1.561 63.684 62.100 0.037 0.000 1.141 279 T CB -0.641 68.228 68.868 0.002 0.000 0.868 279 T HN 0.613 nan 8.240 nan 0.000 0.444 280 C N 1.952 121.296 119.300 0.075 0.000 2.425 280 C HA -0.070 4.389 4.460 -0.000 0.000 0.277 280 C C 2.563 177.614 174.990 0.102 0.000 1.280 280 C CA 0.202 59.271 59.018 0.085 0.000 1.744 280 C CB -1.022 26.773 27.740 0.091 0.000 1.989 280 C HN 0.546 nan 8.230 nan 0.000 0.491 281 D N 0.709 121.162 120.400 0.088 0.000 2.117 281 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 281 D C 1.869 178.263 176.300 0.156 0.000 0.987 281 D CA 1.014 55.079 54.000 0.108 0.000 0.829 281 D CB -0.519 40.324 40.800 0.073 0.000 0.961 281 D HN 0.500 nan 8.370 nan 0.000 0.460 282 I N 0.447 121.080 120.570 0.104 0.000 2.546 282 I HA -0.170 4.000 4.170 -0.000 0.000 0.255 282 I C 2.067 178.234 176.117 0.084 0.000 1.163 282 I CA 0.566 61.917 61.300 0.086 0.000 1.457 282 I CB 0.135 38.168 38.000 0.055 0.000 1.092 282 I HN -0.086 nan 8.210 nan 0.000 0.434 283 I N 0.070 120.698 120.570 0.095 0.000 2.179 283 I HA -0.334 3.836 4.170 -0.000 0.000 0.242 283 I C 2.357 178.539 176.117 0.108 0.000 1.088 283 I CA 1.570 62.920 61.300 0.083 0.000 1.357 283 I CB -0.437 37.614 38.000 0.085 0.000 1.051 283 I HN 0.245 nan 8.210 nan 0.000 0.409 284 F N 1.667 121.625 119.950 0.012 0.000 2.102 284 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 284 F C 2.209 178.014 175.800 0.009 0.000 1.105 284 F CA 1.649 59.656 58.000 0.011 0.000 1.239 284 F CB -0.275 38.731 39.000 0.011 0.000 0.991 284 F HN -0.112 nan 8.300 nan 0.000 0.474 285 L N 0.193 121.468 121.223 0.087 0.000 2.187 285 L HA -0.241 4.099 4.340 -0.000 0.000 0.213 285 L C 1.190 177.998 176.870 -0.103 0.000 1.100 285 L CA 1.149 55.975 54.840 -0.022 0.000 0.765 285 L CB -0.730 41.371 42.059 0.070 0.000 0.904 285 L HN 0.199 nan 8.230 nan 0.000 0.437 286 N N 0.253 118.911 118.700 -0.070 0.000 2.327 286 N HA 0.095 4.835 4.740 -0.000 0.000 0.231 286 N C 1.107 176.559 175.510 -0.095 0.000 1.130 286 N CA 0.834 53.844 53.050 -0.067 0.000 0.845 286 N CB 0.923 39.395 38.487 -0.026 0.000 1.073 286 N HN 0.396 nan 8.380 nan 0.000 0.496 287 G N -0.023 108.670 108.800 -0.179 0.000 2.148 287 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.254 287 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.254 287 G C 0.447 175.278 174.900 -0.114 0.000 0.981 287 G CA 0.161 45.154 45.100 -0.178 0.000 0.670 287 G HN 0.561 nan 8.290 nan 0.000 0.528 288 G N -0.886 107.870 108.800 -0.073 0.000 2.552 288 G HA2 0.651 4.610 3.960 -0.000 0.000 0.318 288 G HA3 0.651 4.610 3.960 -0.000 0.000 0.318 288 G C -0.378 174.554 174.900 0.053 0.000 1.240 288 G CA -0.780 44.318 45.100 -0.004 0.000 1.002 288 G HN 0.329 nan 8.290 nan 0.000 0.493 289 K N 1.956 122.404 120.400 0.081 0.000 2.572 289 K HA 0.294 4.614 4.320 -0.000 0.000 0.244 289 K C -2.651 174.013 176.600 0.106 0.000 0.965 289 K CA -1.563 54.803 56.287 0.130 0.000 0.943 289 K CB 2.676 35.239 32.500 0.105 0.000 1.154 289 K HN 0.319 nan 8.250 nan 0.000 0.447 290 P HA -0.033 nan 4.420 nan 0.000 0.268 290 P C -0.039 177.301 177.300 0.066 0.000 1.204 290 P CA 0.095 63.245 63.100 0.083 0.000 0.768 290 P CB 1.396 33.146 31.700 0.084 0.000 0.842 291 A N 3.365 126.223 122.820 0.063 0.000 2.132 291 A HA 0.058 4.378 4.320 -0.000 0.000 0.213 291 A C 0.862 178.467 177.584 0.035 0.000 1.154 291 A CA 0.663 52.741 52.037 0.068 0.000 0.753 291 A CB -0.439 18.619 19.000 0.097 0.000 0.826 291 A HN 0.823 nan 8.150 nan 0.000 0.469 292 N N -2.333 116.365 118.700 -0.002 0.000 3.533 292 N HA 0.198 4.938 4.740 -0.000 0.000 0.229 292 N C -1.375 174.112 175.510 -0.039 0.000 1.418 292 N CA -0.533 52.437 53.050 -0.133 0.000 0.880 292 N CB 0.446 38.760 38.487 -0.287 0.000 1.415 292 N HN 0.118 nan 8.380 nan 0.000 0.491 293 F N 0.820 120.605 119.950 -0.275 0.000 2.480 293 F HA 0.807 5.334 4.527 -0.000 0.000 0.329 293 F C -1.288 174.424 175.800 -0.147 0.000 1.091 293 F CA -0.758 57.151 58.000 -0.151 0.000 0.972 293 F CB 1.240 40.160 39.000 -0.133 0.000 1.150 293 F HN 0.561 nan 8.300 nan 0.000 0.467 294 L N 5.829 126.662 121.223 -0.650 0.000 2.580 294 L HA 0.343 4.682 4.340 -0.000 0.000 0.266 294 L C -2.181 174.339 176.870 -0.583 0.000 0.955 294 L CA -0.523 54.071 54.840 -0.411 0.000 0.886 294 L CB 1.474 43.521 42.059 -0.019 0.000 1.263 294 L HN 0.739 nan 8.230 nan 0.000 0.406 295 D N 4.353 124.440 120.400 -0.523 0.000 2.303 295 D HA 0.310 4.950 4.640 -0.000 0.000 0.236 295 D C 0.635 176.880 176.300 -0.093 0.000 1.068 295 D CA -0.336 53.483 54.000 -0.301 0.000 0.830 295 D CB 1.823 42.516 40.800 -0.177 0.000 1.109 295 D HN 0.572 nan 8.370 nan 0.000 0.496 296 L N 2.976 124.169 121.223 -0.049 0.000 2.313 296 L HA 0.246 4.586 4.340 -0.000 0.000 0.214 296 L C 1.482 178.354 176.870 0.003 0.000 1.119 296 L CA 0.721 55.546 54.840 -0.026 0.000 0.809 296 L CB -0.733 41.331 42.059 0.008 0.000 0.933 296 L HN 0.762 nan 8.230 nan 0.000 0.449 297 G N -0.812 107.997 108.800 0.015 0.000 2.582 297 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.222 297 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.222 297 G C 0.422 175.340 174.900 0.031 0.000 1.311 297 G CA -0.448 44.669 45.100 0.028 0.000 0.915 297 G HN 0.164 nan 8.290 nan 0.000 0.528 298 G N -0.547 108.272 108.800 0.031 0.000 2.939 298 G HA2 0.531 4.491 3.960 -0.000 0.000 0.210 298 G HA3 0.531 4.491 3.960 -0.000 0.000 0.210 298 G C 0.891 175.811 174.900 0.034 0.000 1.160 298 G CA 1.123 46.243 45.100 0.032 0.000 0.770 298 G HN 1.798 nan 8.290 nan 0.000 0.543 299 G N 0.768 109.587 108.800 0.031 0.000 4.487 299 G HA2 0.424 4.383 3.960 -0.000 0.000 0.339 299 G HA3 0.424 4.383 3.960 -0.000 0.000 0.339 299 G C -0.282 174.637 174.900 0.032 0.000 1.482 299 G CA -0.348 44.770 45.100 0.030 0.000 1.069 299 G HN 0.129 nan 8.290 nan 0.000 0.515 300 V N 1.469 121.406 119.914 0.038 0.000 2.539 300 V HA 0.028 4.148 4.120 -0.000 0.000 0.300 300 V C 0.635 176.751 176.094 0.036 0.000 1.019 300 V CA 0.509 62.832 62.300 0.039 0.000 1.160 300 V CB 0.125 31.984 31.823 0.060 0.000 0.901 300 V HN 0.439 nan 8.190 nan 0.000 0.481 301 K N 3.717 124.133 120.400 0.027 0.000 2.164 301 K HA 0.354 4.674 4.320 -0.000 0.000 0.258 301 K C 0.957 177.576 176.600 0.032 0.000 0.951 301 K CA -0.690 55.614 56.287 0.028 0.000 0.844 301 K CB 1.768 34.284 32.500 0.027 0.000 1.099 301 K HN 0.648 nan 8.250 nan 0.000 0.435 302 E N 0.528 120.753 120.200 0.040 0.000 2.219 302 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 302 E C 1.264 177.904 176.600 0.067 0.000 0.998 302 E CA 1.221 57.658 56.400 0.063 0.000 0.818 302 E CB 0.123 29.852 29.700 0.049 0.000 0.741 302 E HN 0.479 nan 8.360 nan 0.000 0.477 303 S N 1.303 117.020 115.700 0.027 0.000 2.351 303 S HA -0.239 4.231 4.470 -0.000 0.000 0.220 303 S C 1.960 176.541 174.600 -0.032 0.000 1.035 303 S CA 1.200 59.402 58.200 0.004 0.000 1.031 303 S CB -0.299 62.898 63.200 -0.005 0.000 0.928 303 S HN 0.305 nan 8.310 nan 0.000 0.433 304 Q N 0.463 120.229 119.800 -0.058 0.000 2.045 304 Q HA -0.131 4.208 4.340 -0.000 0.000 0.206 304 Q C 2.366 178.224 176.000 -0.236 0.000 0.991 304 Q CA 1.673 57.393 55.803 -0.137 0.000 0.851 304 Q CB -0.627 28.061 28.738 -0.083 0.000 0.911 304 Q HN 0.357 nan 8.270 nan 0.000 0.418 305 V N 0.354 120.183 119.914 -0.141 0.000 2.252 305 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 305 V C 1.991 178.063 176.094 -0.037 0.000 1.056 305 V CA 2.258 64.467 62.300 -0.151 0.000 1.022 305 V CB -0.810 31.104 31.823 0.151 0.000 0.641 305 V HN 0.402 nan 8.190 nan 0.000 0.445 306 Y N 0.757 121.052 120.300 -0.008 0.000 2.097 306 Y HA -0.281 4.269 4.550 -0.000 0.000 0.282 306 Y C 2.755 178.610 175.900 -0.075 0.000 1.152 306 Y CA 2.123 60.239 58.100 0.026 0.000 1.136 306 Y CB -0.316 38.115 38.460 -0.048 0.000 0.975 306 Y HN 0.191 nan 8.280 nan 0.000 0.498 307 Q N 0.252 119.863 119.800 -0.315 0.000 2.084 307 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 307 Q C 2.595 178.355 176.000 -0.399 0.000 0.978 307 Q CA 1.476 56.996 55.803 -0.472 0.000 0.844 307 Q CB -1.009 27.260 28.738 -0.781 0.000 0.898 307 Q HN 0.641 nan 8.270 nan 0.000 0.426 308 A N 0.201 122.747 122.820 -0.456 0.000 1.892 308 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 308 A C 1.942 179.282 177.584 -0.408 0.000 1.188 308 A CA 1.486 53.184 52.037 -0.565 0.000 0.631 308 A CB -0.836 17.441 19.000 -1.205 0.000 0.822 308 A HN 0.277 nan 8.150 nan 0.000 0.447 309 F N -0.106 119.643 119.950 -0.335 0.000 2.113 309 F HA -0.075 4.452 4.527 -0.000 0.000 0.297 309 F C 2.262 177.914 175.800 -0.247 0.000 1.103 309 F CA 1.721 59.607 58.000 -0.190 0.000 1.248 309 F CB -0.432 38.476 39.000 -0.155 0.000 0.999 309 F HN 0.204 nan 8.300 nan 0.000 0.475 310 K N 0.617 120.874 120.400 -0.238 0.000 2.020 310 K HA -0.212 4.108 4.320 -0.000 0.000 0.212 310 K C 2.063 178.590 176.600 -0.122 0.000 1.050 310 K CA 1.727 57.861 56.287 -0.255 0.000 0.929 310 K CB -0.478 31.782 32.500 -0.400 0.000 0.714 310 K HN 0.239 nan 8.250 nan 0.000 0.443 311 L N 0.748 121.888 121.223 -0.138 0.000 2.046 311 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 311 L C 2.422 179.246 176.870 -0.076 0.000 1.077 311 L CA 1.054 55.826 54.840 -0.115 0.000 0.747 311 L CB -0.350 41.613 42.059 -0.159 0.000 0.896 311 L HN 0.241 nan 8.230 nan 0.000 0.432 312 L N -0.684 120.524 121.223 -0.025 0.000 2.109 312 L HA -0.124 4.215 4.340 -0.000 0.000 0.207 312 L C 2.700 179.611 176.870 0.069 0.000 1.086 312 L CA 1.581 56.455 54.840 0.057 0.000 0.760 312 L CB -0.794 41.338 42.059 0.121 0.000 0.910 312 L HN 0.413 nan 8.230 nan 0.000 0.437 313 T N -2.874 111.719 114.554 0.066 0.000 3.035 313 T HA 0.028 4.378 4.350 -0.000 0.000 0.268 313 T C 1.905 176.621 174.700 0.027 0.000 1.109 313 T CA 0.660 62.794 62.100 0.057 0.000 1.119 313 T CB -0.149 68.749 68.868 0.050 0.000 0.900 313 T HN 0.278 nan 8.240 nan 0.000 0.503 314 A N 1.999 124.823 122.820 0.007 0.000 1.902 314 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 314 A C 1.387 178.978 177.584 0.012 0.000 1.181 314 A CA 1.172 53.208 52.037 -0.002 0.000 0.623 314 A CB -0.801 18.184 19.000 -0.024 0.000 0.818 314 A HN 0.515 nan 8.150 nan 0.000 0.443 315 D N -0.045 120.368 120.400 0.022 0.000 2.346 315 D HA 0.147 4.787 4.640 -0.000 0.000 0.260 315 D C -1.150 175.177 176.300 0.046 0.000 1.252 315 D CA -2.023 52.000 54.000 0.039 0.000 0.895 315 D CB 1.002 41.841 40.800 0.065 0.000 1.097 315 D HN 0.150 nan 8.370 nan 0.000 0.489 316 P HA -0.195 nan 4.420 nan 0.000 0.218 316 P C 1.211 178.537 177.300 0.043 0.000 1.148 316 P CA 0.956 64.078 63.100 0.037 0.000 0.822 316 P CB 0.360 32.079 31.700 0.031 0.000 0.784 317 K N 0.292 120.723 120.400 0.050 0.000 2.209 317 K HA -0.026 4.293 4.320 -0.000 0.000 0.204 317 K C 0.435 177.070 176.600 0.059 0.000 1.048 317 K CA 0.419 56.739 56.287 0.054 0.000 0.940 317 K CB -0.248 32.289 32.500 0.063 0.000 0.729 317 K HN -0.062 nan 8.250 nan 0.000 0.451 318 V N 2.716 122.670 119.914 0.067 0.000 2.450 318 V HA -0.018 4.102 4.120 -0.000 0.000 0.281 318 V C 0.557 176.687 176.094 0.060 0.000 1.019 318 V CA 0.631 62.974 62.300 0.072 0.000 1.062 318 V CB 1.050 32.926 31.823 0.088 0.000 0.979 318 V HN 0.308 nan 8.190 nan 0.000 0.477 319 E N 3.233 123.466 120.200 0.054 0.000 2.498 319 E HA 0.523 4.872 4.350 -0.000 0.000 0.203 319 E C 0.307 176.934 176.600 0.044 0.000 1.013 319 E CA 0.334 56.760 56.400 0.044 0.000 0.927 319 E CB 1.035 30.756 29.700 0.036 0.000 1.012 319 E HN 0.811 nan 8.360 nan 0.000 0.482 320 A N 0.990 123.843 122.820 0.055 0.000 2.599 320 A HA 0.547 4.867 4.320 -0.000 0.000 0.294 320 A C -1.641 175.985 177.584 0.071 0.000 1.055 320 A CA -0.684 51.386 52.037 0.055 0.000 0.683 320 A CB 0.950 19.973 19.000 0.038 0.000 1.278 320 A HN 0.090 nan 8.150 nan 0.000 0.412 321 I N 1.872 122.491 120.570 0.082 0.000 2.418 321 I HA 0.419 4.589 4.170 -0.000 0.000 0.287 321 I C -0.732 175.402 176.117 0.028 0.000 1.008 321 I CA -0.464 60.892 61.300 0.094 0.000 1.104 321 I CB 1.740 39.868 38.000 0.214 0.000 1.264 321 I HN 0.632 nan 8.210 nan 0.000 0.438 322 L N 7.770 128.973 121.223 -0.034 0.000 2.287 322 L HA 0.578 4.918 4.340 -0.000 0.000 0.287 322 L C -1.012 175.709 176.870 -0.249 0.000 1.022 322 L CA -0.602 54.182 54.840 -0.093 0.000 0.814 322 L CB 1.422 43.447 42.059 -0.057 0.000 1.217 322 L HN 0.309 nan 8.230 nan 0.000 0.420 323 V N 4.361 124.082 119.914 -0.322 0.000 2.370 323 V HA 0.381 4.501 4.120 -0.000 0.000 0.283 323 V C -0.390 175.506 176.094 -0.331 0.000 1.023 323 V CA -0.604 61.333 62.300 -0.604 0.000 0.857 323 V CB 1.530 32.956 31.823 -0.660 0.000 0.985 323 V HN 0.755 nan 8.190 nan 0.000 0.443 324 N N 5.420 123.948 118.700 -0.287 0.000 2.531 324 N HA 0.525 5.265 4.740 -0.000 0.000 0.268 324 N C -1.307 174.159 175.510 -0.072 0.000 1.023 324 N CA -0.297 52.676 53.050 -0.128 0.000 0.896 324 N CB 0.941 39.386 38.487 -0.069 0.000 1.233 324 N HN 0.610 nan 8.380 nan 0.000 0.512 325 I N 2.492 123.037 120.570 -0.041 0.000 2.465 325 I HA 0.388 4.558 4.170 -0.000 0.000 0.291 325 I C -1.107 175.047 176.117 0.062 0.000 1.014 325 I CA -0.987 60.329 61.300 0.026 0.000 1.093 325 I CB 1.577 39.587 38.000 0.018 0.000 1.267 325 I HN 0.409 nan 8.210 nan 0.000 0.431 326 F N 5.037 124.985 119.950 -0.003 0.000 2.325 326 F HA 0.581 5.108 4.527 -0.000 0.000 0.369 326 F C 0.675 176.481 175.800 0.010 0.000 1.095 326 F CA -0.776 57.226 58.000 0.003 0.000 1.082 326 F CB 1.115 40.117 39.000 0.003 0.000 1.289 326 F HN 0.416 nan 8.300 nan 0.000 0.462 327 G N 2.435 111.273 108.800 0.063 0.000 2.406 327 G HA2 0.437 4.397 3.960 -0.000 0.000 0.251 327 G HA3 0.437 4.397 3.960 -0.000 0.000 0.251 327 G C 0.250 175.257 174.900 0.179 0.000 1.271 327 G CA 0.300 45.456 45.100 0.093 0.000 0.859 327 G HN 1.000 nan 8.290 nan 0.000 0.540 328 G N 1.259 110.147 108.800 0.147 0.000 3.064 328 G HA2 0.093 4.053 3.960 -0.000 0.000 0.151 328 G HA3 0.093 4.053 3.960 -0.000 0.000 0.151 328 G C 1.425 176.373 174.900 0.080 0.000 1.489 328 G CA 0.417 45.596 45.100 0.133 0.000 1.066 328 G HN 0.654 nan 8.290 nan 0.000 0.740 329 I N 0.936 121.548 120.570 0.069 0.000 2.087 329 I HA -0.074 4.096 4.170 -0.000 0.000 0.240 329 I C 0.875 177.019 176.117 0.044 0.000 1.054 329 I CA 1.617 62.946 61.300 0.048 0.000 1.311 329 I CB 0.060 38.086 38.000 0.042 0.000 1.024 329 I HN 0.078 nan 8.210 nan 0.000 0.402 330 V N 3.299 123.243 119.914 0.049 0.000 2.348 330 V HA 0.189 4.309 4.120 -0.000 0.000 0.270 330 V C -0.170 175.950 176.094 0.043 0.000 1.037 330 V CA -0.674 61.652 62.300 0.043 0.000 0.872 330 V CB 0.365 32.215 31.823 0.045 0.000 1.002 330 V HN 0.649 nan 8.190 nan 0.000 0.464 331 N N 4.895 123.615 118.700 0.034 0.000 2.344 331 N HA 0.002 4.742 4.740 -0.000 0.000 0.236 331 N C 0.987 176.508 175.510 0.019 0.000 1.279 331 N CA 0.661 53.727 53.050 0.026 0.000 0.882 331 N CB 0.517 39.017 38.487 0.021 0.000 1.110 331 N HN 0.540 nan 8.380 nan 0.000 0.436 332 C N 0.443 119.744 119.300 0.001 0.000 2.411 332 C HA -0.075 4.385 4.460 -0.000 0.000 0.279 332 C C 2.669 177.659 174.990 0.000 0.000 1.288 332 C CA 1.100 60.112 59.018 -0.009 0.000 1.764 332 C CB -1.997 25.716 27.740 -0.044 0.000 1.974 332 C HN 0.896 nan 8.230 nan 0.000 0.498 333 A N 1.173 123.993 122.820 -0.000 0.000 1.858 333 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 333 A C 1.952 179.543 177.584 0.013 0.000 1.190 333 A CA 1.680 53.717 52.037 -0.000 0.000 0.617 333 A CB -0.546 18.453 19.000 -0.003 0.000 0.827 333 A HN 0.440 nan 8.150 nan 0.000 0.443 334 I N 0.714 121.296 120.570 0.019 0.000 2.236 334 I HA -0.265 3.905 4.170 -0.000 0.000 0.249 334 I C 2.348 178.490 176.117 0.042 0.000 1.102 334 I CA 1.271 62.587 61.300 0.027 0.000 1.365 334 I CB -1.309 36.708 38.000 0.029 0.000 1.051 334 I HN 0.293 nan 8.210 nan 0.000 0.420 335 I N 1.029 121.627 120.570 0.047 0.000 2.202 335 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 335 I C 2.818 178.983 176.117 0.080 0.000 1.091 335 I CA 1.518 62.861 61.300 0.071 0.000 1.368 335 I CB -1.556 36.480 38.000 0.061 0.000 1.058 335 I HN 0.130 nan 8.210 nan 0.000 0.410 336 A N 1.143 123.991 122.820 0.046 0.000 1.902 336 A HA -0.244 4.075 4.320 -0.000 0.000 0.217 336 A C 2.171 179.782 177.584 0.046 0.000 1.181 336 A CA 2.162 54.222 52.037 0.039 0.000 0.623 336 A CB -1.216 17.787 19.000 0.004 0.000 0.818 336 A HN 0.506 nan 8.150 nan 0.000 0.443 337 N N -0.688 118.034 118.700 0.036 0.000 2.166 337 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 337 N C 1.790 177.334 175.510 0.057 0.000 1.019 337 N CA 0.887 53.957 53.050 0.033 0.000 0.856 337 N CB -0.223 38.277 38.487 0.022 0.000 0.993 337 N HN 0.502 nan 8.380 nan 0.000 0.426 338 G N 1.193 110.045 108.800 0.085 0.000 2.402 338 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 338 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 338 G C 1.363 176.373 174.900 0.183 0.000 1.162 338 G CA 0.336 45.512 45.100 0.126 0.000 0.777 338 G HN 0.105 nan 8.290 nan 0.000 0.539 339 I N 2.316 123.008 120.570 0.203 0.000 2.099 339 I HA -0.198 3.972 4.170 -0.000 0.000 0.239 339 I C 3.245 179.401 176.117 0.064 0.000 1.066 339 I CA 2.146 63.595 61.300 0.249 0.000 1.324 339 I CB -1.792 36.331 38.000 0.204 0.000 1.037 339 I HN 0.369 nan 8.210 nan 0.000 0.401 340 T N -0.490 114.084 114.554 0.034 0.000 2.652 340 T HA -0.282 4.068 4.350 -0.000 0.000 0.267 340 T C 2.022 176.714 174.700 -0.014 0.000 1.039 340 T CA 1.729 63.822 62.100 -0.011 0.000 1.153 340 T CB -0.538 68.327 68.868 -0.005 0.000 0.863 340 T HN 0.215 nan 8.240 nan 0.000 0.428 341 K N 1.394 121.806 120.400 0.020 0.000 2.020 341 K HA -0.064 4.256 4.320 -0.000 0.000 0.212 341 K C 2.701 179.330 176.600 0.047 0.000 1.050 341 K CA 1.501 57.804 56.287 0.026 0.000 0.929 341 K CB -0.709 31.814 32.500 0.038 0.000 0.714 341 K HN 0.472 nan 8.250 nan 0.000 0.443 342 A N 0.348 123.221 122.820 0.089 0.000 1.933 342 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 342 A C 2.394 179.921 177.584 -0.095 0.000 1.175 342 A CA 1.683 53.795 52.037 0.125 0.000 0.628 342 A CB -1.001 18.110 19.000 0.185 0.000 0.814 342 A HN 0.561 nan 8.150 nan 0.000 0.444 343 C N -0.982 118.193 119.300 -0.208 0.000 2.413 343 C HA -0.093 4.367 4.460 -0.000 0.000 0.277 343 C C 2.954 177.875 174.990 -0.115 0.000 1.265 343 C CA 1.223 60.095 59.018 -0.242 0.000 1.752 343 C CB -1.245 26.369 27.740 -0.209 0.000 1.998 343 C HN 0.609 nan 8.230 nan 0.000 0.489 344 R N 0.409 120.874 120.500 -0.059 0.000 2.062 344 R HA -0.079 4.261 4.340 -0.000 0.000 0.229 344 R C 2.016 178.314 176.300 -0.003 0.000 1.128 344 R CA 1.241 57.324 56.100 -0.029 0.000 0.960 344 R CB -0.338 29.950 30.300 -0.019 0.000 0.855 344 R HN 0.636 nan 8.270 nan 0.000 0.432 345 E N 0.456 120.675 120.200 0.033 0.000 2.274 345 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 345 E C 1.496 178.161 176.600 0.109 0.000 0.996 345 E CA 0.756 57.204 56.400 0.079 0.000 0.840 345 E CB 0.190 29.964 29.700 0.124 0.000 0.772 345 E HN 0.302 nan 8.360 nan 0.000 0.491 346 L N 0.144 121.403 121.223 0.059 0.000 2.664 346 L HA 0.122 4.462 4.340 -0.000 0.000 0.233 346 L C -0.007 176.849 176.870 -0.023 0.000 1.113 346 L CA -0.140 54.709 54.840 0.015 0.000 0.896 346 L CB 0.366 42.387 42.059 -0.063 0.000 1.163 346 L HN -0.070 nan 8.230 nan 0.000 0.497 347 E N 2.258 122.437 120.200 -0.036 0.000 2.230 347 E HA -0.202 4.148 4.350 -0.000 0.000 0.206 347 E C -0.014 176.558 176.600 -0.048 0.000 1.309 347 E CA 0.451 56.828 56.400 -0.038 0.000 0.697 347 E CB -1.509 28.181 29.700 -0.016 0.000 1.146 347 E HN 0.531 nan 8.360 nan 0.000 0.363 348 L N -1.893 119.279 121.223 -0.085 0.000 2.640 348 L HA -0.024 4.315 4.340 -0.000 0.000 0.300 348 L C 1.122 177.969 176.870 -0.040 0.000 1.259 348 L CA 0.745 55.537 54.840 -0.081 0.000 0.879 348 L CB 0.413 42.389 42.059 -0.138 0.000 1.125 348 L HN 0.034 nan 8.230 nan 0.000 0.507 349 K N 2.741 123.132 120.400 -0.016 0.000 2.402 349 K HA 0.255 4.574 4.320 -0.000 0.000 0.203 349 K C -0.153 176.450 176.600 0.005 0.000 1.077 349 K CA 0.285 56.569 56.287 -0.004 0.000 1.051 349 K CB 0.538 33.039 32.500 0.002 0.000 0.907 349 K HN 0.695 nan 8.250 nan 0.000 0.554 350 V N -0.591 119.331 119.914 0.014 0.000 2.994 350 V HA 0.707 4.827 4.120 -0.000 0.000 0.318 350 V C -2.545 173.562 176.094 0.021 0.000 1.085 350 V CA -2.544 59.770 62.300 0.024 0.000 0.998 350 V CB 1.190 33.039 31.823 0.044 0.000 1.063 350 V HN -0.042 nan 8.190 nan 0.000 0.447 351 P HA 0.353 nan 4.420 nan 0.000 0.271 351 P C -1.052 176.266 177.300 0.030 0.000 1.216 351 P CA -0.118 62.991 63.100 0.016 0.000 0.776 351 P CB 1.312 33.019 31.700 0.012 0.000 0.881 352 L N 4.190 125.427 121.223 0.023 0.000 2.333 352 L HA 0.439 4.779 4.340 -0.000 0.000 0.280 352 L C -1.011 175.869 176.870 0.017 0.000 1.004 352 L CA -0.639 54.226 54.840 0.041 0.000 0.820 352 L CB 1.836 43.921 42.059 0.042 0.000 1.247 352 L HN 0.075 nan 8.230 nan 0.000 0.416 353 V N 5.871 125.791 119.914 0.009 0.000 2.448 353 V HA 0.602 4.721 4.120 -0.000 0.000 0.295 353 V C -0.476 175.598 176.094 -0.034 0.000 1.025 353 V CA -0.618 61.675 62.300 -0.012 0.000 0.859 353 V CB 1.835 33.648 31.823 -0.015 0.000 0.988 353 V HN 0.554 nan 8.190 nan 0.000 0.431 354 V N 5.337 125.231 119.914 -0.035 0.000 2.555 354 V HA 0.698 4.818 4.120 -0.000 0.000 0.302 354 V C -0.180 175.881 176.094 -0.055 0.000 1.038 354 V CA -0.786 61.480 62.300 -0.056 0.000 0.887 354 V CB 2.155 33.962 31.823 -0.028 0.000 0.991 354 V HN 0.756 nan 8.190 nan 0.000 0.434 355 R N 4.829 125.286 120.500 -0.072 0.000 2.468 355 R HA 0.583 4.923 4.340 -0.000 0.000 0.302 355 R C -1.923 174.331 176.300 -0.077 0.000 1.041 355 R CA -0.398 55.665 56.100 -0.062 0.000 0.899 355 R CB 1.079 31.351 30.300 -0.046 0.000 1.167 355 R HN 0.748 nan 8.270 nan 0.000 0.483 356 L N 2.243 123.413 121.223 -0.088 0.000 2.333 356 L HA 0.635 4.975 4.340 -0.000 0.000 0.269 356 L C -0.212 176.539 176.870 -0.198 0.000 1.010 356 L CA -0.958 53.811 54.840 -0.119 0.000 0.818 356 L CB 2.083 44.089 42.059 -0.089 0.000 1.306 356 L HN 0.525 nan 8.230 nan 0.000 0.430 357 E N 0.369 120.354 120.200 -0.359 0.000 2.407 357 E HA 0.709 5.059 4.350 -0.000 0.000 0.279 357 E C -0.446 175.616 176.600 -0.896 0.000 1.012 357 E CA 0.430 56.459 56.400 -0.619 0.000 0.800 357 E CB 2.046 31.248 29.700 -0.829 0.000 1.276 357 E HN 0.778 nan 8.360 nan 0.000 0.452 358 G N 0.701 109.044 108.800 -0.760 0.000 2.418 358 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.206 358 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.206 358 G C -0.695 174.134 174.900 -0.118 0.000 1.202 358 G CA -0.337 44.519 45.100 -0.407 0.000 1.061 358 G HN 0.762 nan 8.290 nan 0.000 0.563 359 T N 1.588 116.134 114.554 -0.013 0.000 2.934 359 T HA 0.317 4.667 4.350 -0.000 0.000 0.306 359 T C 1.046 175.743 174.700 -0.005 0.000 1.042 359 T CA 1.300 63.407 62.100 0.011 0.000 1.145 359 T CB 0.413 69.305 68.868 0.039 0.000 0.982 359 T HN 1.679 nan 8.240 nan 0.000 0.544 360 N N 1.435 120.140 118.700 0.009 0.000 2.710 360 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 360 N C 0.925 176.439 175.510 0.007 0.000 1.059 360 N CA 0.814 53.874 53.050 0.017 0.000 0.720 360 N CB -1.166 37.331 38.487 0.017 0.000 0.983 360 N HN 0.530 nan 8.380 nan 0.000 0.544 361 V N 0.054 119.964 119.914 -0.007 0.000 2.287 361 V HA -0.247 3.872 4.120 -0.000 0.000 0.248 361 V C 2.269 178.371 176.094 0.012 0.000 1.053 361 V CA 2.668 64.952 62.300 -0.026 0.000 1.027 361 V CB -0.495 31.286 31.823 -0.070 0.000 0.646 361 V HN 0.739 nan 8.190 nan 0.000 0.447 362 H N -0.290 118.757 119.070 -0.039 0.000 2.319 362 H HA -0.258 4.298 4.556 -0.000 0.000 0.297 362 H C 2.358 177.673 175.328 -0.022 0.000 1.097 362 H CA 2.432 58.463 56.048 -0.029 0.000 1.285 362 H CB 0.008 29.757 29.762 -0.021 0.000 1.368 362 H HN 0.692 nan 8.280 nan 0.000 0.495 363 E N 0.217 120.367 120.200 -0.084 0.000 2.051 363 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 363 E C 2.413 178.938 176.600 -0.124 0.000 0.991 363 E CA 1.039 57.364 56.400 -0.125 0.000 0.799 363 E CB -0.173 29.512 29.700 -0.026 0.000 0.748 363 E HN 0.529 nan 8.360 nan 0.000 0.449 364 A N 0.645 123.420 122.820 -0.075 0.000 1.917 364 A HA -0.285 4.034 4.320 -0.000 0.000 0.219 364 A C 2.096 179.633 177.584 -0.079 0.000 1.182 364 A CA 1.953 53.955 52.037 -0.059 0.000 0.633 364 A CB -0.667 18.309 19.000 -0.039 0.000 0.819 364 A HN 0.339 nan 8.150 nan 0.000 0.448 365 Q N -0.401 119.335 119.800 -0.107 0.000 2.167 365 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 365 Q C 1.836 177.758 176.000 -0.130 0.000 0.970 365 Q CA 1.520 57.260 55.803 -0.104 0.000 0.855 365 Q CB -0.102 28.579 28.738 -0.094 0.000 0.911 365 Q HN 0.665 nan 8.270 nan 0.000 0.438 366 N N -0.058 118.519 118.700 -0.204 0.000 2.188 366 N HA -0.110 4.629 4.740 -0.000 0.000 0.184 366 N C 1.512 176.962 175.510 -0.099 0.000 1.018 366 N CA 0.875 53.820 53.050 -0.175 0.000 0.858 366 N CB -0.070 38.275 38.487 -0.236 0.000 0.989 366 N HN 0.232 nan 8.380 nan 0.000 0.426 367 I N 1.483 122.002 120.570 -0.084 0.000 2.099 367 I HA -0.238 3.932 4.170 -0.000 0.000 0.239 367 I C 2.304 178.396 176.117 -0.041 0.000 1.066 367 I CA 0.938 62.207 61.300 -0.050 0.000 1.324 367 I CB -1.200 36.779 38.000 -0.035 0.000 1.037 367 I HN 0.098 nan 8.210 nan 0.000 0.401 368 L N 0.243 121.442 121.223 -0.041 0.000 1.990 368 L HA -0.267 4.073 4.340 -0.000 0.000 0.213 368 L C 2.673 179.522 176.870 -0.035 0.000 1.072 368 L CA 1.971 56.792 54.840 -0.032 0.000 0.755 368 L CB -1.255 40.785 42.059 -0.031 0.000 0.889 368 L HN 0.291 nan 8.230 nan 0.000 0.432 369 T N -0.294 114.234 114.554 -0.043 0.000 2.607 369 T HA -0.228 4.121 4.350 -0.000 0.000 0.267 369 T C 1.521 176.201 174.700 -0.033 0.000 1.049 369 T CA 2.091 64.168 62.100 -0.038 0.000 1.162 369 T CB -0.603 68.237 68.868 -0.047 0.000 0.863 369 T HN 0.438 nan 8.240 nan 0.000 0.424 370 N N 1.140 119.818 118.700 -0.037 0.000 2.519 370 N HA -0.072 4.667 4.740 -0.000 0.000 0.186 370 N C 1.948 177.443 175.510 -0.025 0.000 1.062 370 N CA 0.806 53.838 53.050 -0.030 0.000 0.910 370 N CB -0.110 38.357 38.487 -0.032 0.000 0.958 370 N HN 0.436 nan 8.380 nan 0.000 0.445 371 S N 0.087 115.771 115.700 -0.026 0.000 2.453 371 S HA 0.020 4.489 4.470 -0.000 0.000 0.231 371 S C 1.843 176.429 174.600 -0.023 0.000 1.005 371 S CA 0.765 58.950 58.200 -0.024 0.000 0.949 371 S CB -0.352 62.833 63.200 -0.025 0.000 0.774 371 S HN 0.422 nan 8.310 nan 0.000 0.510 372 G N 0.838 109.625 108.800 -0.022 0.000 2.175 372 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.265 372 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.265 372 G C 0.018 174.905 174.900 -0.022 0.000 0.979 372 G CA 0.737 45.825 45.100 -0.020 0.000 0.663 372 G HN 0.599 nan 8.290 nan 0.000 0.533 373 L N 1.077 122.284 121.223 -0.026 0.000 2.418 373 L HA 0.351 4.691 4.340 -0.000 0.000 0.265 373 L C -0.744 176.109 176.870 -0.028 0.000 1.143 373 L CA -1.763 53.059 54.840 -0.031 0.000 0.809 373 L CB 0.645 42.680 42.059 -0.041 0.000 1.124 373 L HN -0.067 nan 8.230 nan 0.000 0.456 374 P HA 0.061 nan 4.420 nan 0.000 0.277 374 P C -0.178 177.109 177.300 -0.021 0.000 1.617 374 P CA 0.369 63.456 63.100 -0.022 0.000 0.829 374 P CB -0.410 31.278 31.700 -0.020 0.000 1.774 375 I N 0.501 121.057 120.570 -0.023 0.000 2.322 375 I HA 0.074 4.244 4.170 -0.000 0.000 0.292 375 I C 0.618 176.726 176.117 -0.015 0.000 1.060 375 I CA -0.094 61.194 61.300 -0.019 0.000 1.309 375 I CB 0.573 38.560 38.000 -0.022 0.000 1.415 375 I HN -0.160 nan 8.210 nan 0.000 0.492 376 T N 4.890 119.437 114.554 -0.012 0.000 2.752 376 T HA 0.039 4.389 4.350 -0.000 0.000 0.295 376 T C 0.317 175.008 174.700 -0.015 0.000 0.923 376 T CA 0.002 62.095 62.100 -0.012 0.000 1.112 376 T CB 0.469 69.332 68.868 -0.009 0.000 0.884 376 T HN 0.545 nan 8.240 nan 0.000 0.525 377 S N 3.025 118.715 115.700 -0.017 0.000 2.410 377 S HA 0.596 5.066 4.470 -0.000 0.000 0.304 377 S C 0.315 174.903 174.600 -0.020 0.000 1.095 377 S CA -0.917 57.270 58.200 -0.022 0.000 1.089 377 S CB -0.004 63.182 63.200 -0.024 0.000 0.968 377 S HN 0.841 nan 8.310 nan 0.000 0.480 378 A N 4.155 126.961 122.820 -0.022 0.000 2.340 378 A HA 0.430 4.749 4.320 -0.000 0.000 0.268 378 A C 1.374 178.948 177.584 -0.018 0.000 1.100 378 A CA -0.480 51.546 52.037 -0.018 0.000 0.803 378 A CB 0.543 19.533 19.000 -0.017 0.000 1.043 378 A HN 1.000 nan 8.150 nan 0.000 0.488 379 V N 1.021 120.929 119.914 -0.011 0.000 2.427 379 V HA 0.001 4.121 4.120 -0.000 0.000 0.248 379 V C 0.600 176.690 176.094 -0.008 0.000 1.051 379 V CA 2.889 65.184 62.300 -0.008 0.000 1.048 379 V CB -0.844 30.978 31.823 -0.003 0.000 0.666 379 V HN 1.139 nan 8.190 nan 0.000 0.456 380 D N -3.438 116.961 120.400 -0.003 0.000 2.768 380 D HA 0.154 4.794 4.640 -0.000 0.000 0.327 380 D C 0.247 176.553 176.300 0.009 0.000 1.302 380 D CA -0.264 53.740 54.000 0.006 0.000 0.897 380 D CB 0.582 41.393 40.800 0.017 0.000 1.420 380 D HN -0.114 nan 8.370 nan 0.000 0.494 381 L N -0.023 121.213 121.223 0.023 0.000 2.083 381 L HA 0.031 4.371 4.340 -0.000 0.000 0.209 381 L C 1.977 178.857 176.870 0.016 0.000 1.083 381 L CA 2.084 56.937 54.840 0.022 0.000 0.752 381 L CB -0.875 41.208 42.059 0.040 0.000 0.899 381 L HN 0.679 nan 8.230 nan 0.000 0.433 382 E N -0.530 119.681 120.200 0.018 0.000 2.047 382 E HA -0.253 4.097 4.350 -0.000 0.000 0.191 382 E C 1.900 178.504 176.600 0.007 0.000 0.987 382 E CA 1.467 57.875 56.400 0.014 0.000 0.799 382 E CB -0.202 29.506 29.700 0.014 0.000 0.752 382 E HN 0.612 nan 8.360 nan 0.000 0.449 383 D N -0.456 119.947 120.400 0.004 0.000 2.097 383 D HA -0.132 4.508 4.640 -0.000 0.000 0.195 383 D C 1.829 178.127 176.300 -0.003 0.000 0.989 383 D CA 1.763 55.763 54.000 -0.000 0.000 0.827 383 D CB -0.323 40.476 40.800 -0.001 0.000 0.966 383 D HN 0.245 nan 8.370 nan 0.000 0.456 384 A N 0.447 123.264 122.820 -0.005 0.000 1.940 384 A HA -0.023 4.296 4.320 -0.000 0.000 0.219 384 A C 2.367 179.946 177.584 -0.007 0.000 1.176 384 A CA 2.419 54.449 52.037 -0.011 0.000 0.631 384 A CB -1.110 17.880 19.000 -0.017 0.000 0.814 384 A HN 0.362 nan 8.150 nan 0.000 0.446 385 A N -0.198 122.622 122.820 -0.000 0.000 1.841 385 A HA -0.118 4.202 4.320 -0.000 0.000 0.214 385 A C 2.088 179.673 177.584 0.001 0.000 1.195 385 A CA 1.917 53.957 52.037 0.004 0.000 0.611 385 A CB -0.494 18.514 19.000 0.012 0.000 0.835 385 A HN 0.477 nan 8.150 nan 0.000 0.443 386 K N 0.147 120.546 120.400 -0.002 0.000 2.032 386 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 386 K C 2.053 178.650 176.600 -0.005 0.000 1.048 386 K CA 1.889 58.173 56.287 -0.006 0.000 0.927 386 K CB -0.173 32.323 32.500 -0.006 0.000 0.712 386 K HN 0.447 nan 8.250 nan 0.000 0.441 387 K N 0.182 120.580 120.400 -0.004 0.000 2.057 387 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 387 K C 2.221 178.820 176.600 -0.002 0.000 1.049 387 K CA 1.296 57.581 56.287 -0.004 0.000 0.931 387 K CB -0.167 32.330 32.500 -0.005 0.000 0.714 387 K HN 0.171 nan 8.250 nan 0.000 0.440 388 A N 0.862 123.682 122.820 -0.001 0.000 1.902 388 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 388 A C 2.351 179.939 177.584 0.007 0.000 1.181 388 A CA 1.300 53.340 52.037 0.004 0.000 0.623 388 A CB -0.608 18.394 19.000 0.003 0.000 0.818 388 A HN 0.076 nan 8.150 nan 0.000 0.443 389 V N -0.155 119.761 119.914 0.004 0.000 2.343 389 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 389 V C 3.058 179.152 176.094 -0.000 0.000 1.051 389 V CA 1.865 64.166 62.300 0.002 0.000 1.036 389 V CB -1.075 30.744 31.823 -0.008 0.000 0.654 389 V HN 0.616 nan 8.190 nan 0.000 0.451 390 A N -0.362 122.457 122.820 -0.002 0.000 1.940 390 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 390 A C 2.407 179.992 177.584 0.001 0.000 1.176 390 A CA 2.211 54.246 52.037 -0.002 0.000 0.631 390 A CB -0.684 18.314 19.000 -0.004 0.000 0.814 390 A HN 0.540 nan 8.150 nan 0.000 0.446 391 S N -0.826 114.876 115.700 0.004 0.000 2.469 391 S HA -0.057 4.412 4.470 -0.000 0.000 0.238 391 S C 1.234 175.840 174.600 0.010 0.000 0.998 391 S CA 1.348 59.553 58.200 0.007 0.000 0.957 391 S CB -0.345 62.861 63.200 0.010 0.000 0.764 391 S HN 1.044 nan 8.310 nan 0.000 0.514 392 V N -1.128 118.792 119.914 0.011 0.000 2.915 392 V HA 0.452 4.572 4.120 -0.000 0.000 0.364 392 V C -0.088 176.012 176.094 0.010 0.000 1.354 392 V CA -0.480 61.828 62.300 0.014 0.000 1.213 392 V CB -0.084 31.751 31.823 0.020 0.000 1.268 392 V HN 0.075 nan 8.190 nan 0.000 0.557 393 T N 0.000 114.557 114.554 0.006 0.000 3.816 393 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 393 T CA 0.000 62.102 62.100 0.003 0.000 1.349 393 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 393 T HN 0.000 nan 8.240 nan 0.000 0.658