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 1dkn_1_A DATA FIRST_RESID 1 DATA SEQUENCE QSEPELKLES VVIVSRHGVR APTKATQLMQ DVTPDAWPTW PVKLGWLTPR DATA SEQUENCE GGELIAYLGH YQRQRLVADG LLAKKGcPQS GQVAIIADVD ERTRKTGEAF DATA SEQUENCE AAGLAPDcAI TVHTQTDTSS PDPLFNPLKT GVcQLDNANV TDAILSRAGG DATA SEQUENCE SIADFTGHRQ TAFRELERVL NFPQSNLcLK REKQDEScSL TQALPSELKV DATA SEQUENCE SADNVSLTGA VSLASMLTEI FLLQQAQGMP EPGWGRITDS HQWNTLLSLH DATA SEQUENCE NAQFYLLQRT PEVARSRATP LLDLIKTALT PHPPQKQAYG VTLPTSVLFI DATA SEQUENCE AGHDTNLANL GGALELNWTL PGQPDNTPPG GELVFERWRR LSDNSQWIQV DATA SEQUENCE SLVFQTLQQM RDKTPLSLNT PPGEVKLTLA GcEERNAQGM cSLAGFTQIV DATA SEQUENCE NEARIPAcSL 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.996 176.000 -0.006 0.000 1.003 1 Q CA 0.000 55.800 55.803 -0.006 0.000 1.022 1 Q CB 0.000 28.735 28.738 -0.004 0.000 1.108 2 S N 0.832 116.528 115.700 -0.007 0.000 2.659 2 S HA 0.473 4.943 4.470 0.001 0.000 0.312 2 S C -0.902 173.694 174.600 -0.006 0.000 1.114 2 S CA -0.486 57.709 58.200 -0.009 0.000 1.063 2 S CB 1.321 64.513 63.200 -0.014 0.000 0.996 2 S HN 0.453 nan 8.310 nan 0.000 0.478 3 E N 2.901 123.099 120.200 -0.003 0.000 2.408 3 E HA 0.310 4.661 4.350 0.001 0.000 0.259 3 E C -2.247 174.356 176.600 0.004 0.000 1.110 3 E CA -1.269 55.133 56.400 0.003 0.000 0.929 3 E CB 0.015 29.719 29.700 0.007 0.000 0.971 3 E HN 0.277 nan 8.360 nan 0.000 0.438 4 P HA 0.053 nan 4.420 nan 0.000 0.271 4 P C -0.324 176.991 177.300 0.024 0.000 1.220 4 P CA 0.064 63.178 63.100 0.025 0.000 0.768 4 P CB 0.598 32.335 31.700 0.062 0.000 0.848 5 E N 2.372 122.571 120.200 -0.002 0.000 2.385 5 E HA 0.068 4.418 4.350 0.001 0.000 0.194 5 E C 0.054 176.666 176.600 0.021 0.000 1.013 5 E CA 0.271 56.667 56.400 -0.006 0.000 0.866 5 E CB 0.078 29.749 29.700 -0.049 0.000 0.832 5 E HN 0.219 nan 8.360 nan 0.000 0.500 6 L N 1.315 122.566 121.223 0.047 0.000 2.362 6 L HA 0.480 4.820 4.340 0.001 0.000 0.271 6 L C -0.444 176.636 176.870 0.351 0.000 1.002 6 L CA -0.670 54.268 54.840 0.163 0.000 0.818 6 L CB 1.629 43.702 42.059 0.024 0.000 1.298 6 L HN -0.030 nan 8.230 nan 0.000 0.420 7 K N 2.649 123.284 120.400 0.392 0.000 2.535 7 K HA 0.360 4.681 4.320 0.001 0.000 0.253 7 K C -0.951 175.711 176.600 0.103 0.000 0.953 7 K CA -0.840 55.603 56.287 0.261 0.000 0.863 7 K CB 1.779 34.352 32.500 0.121 0.000 1.111 7 K HN 0.419 nan 8.250 nan 0.000 0.431 8 L N 4.502 125.540 121.223 -0.307 0.000 2.584 8 L HA 0.004 4.344 4.340 0.001 0.000 0.272 8 L C 0.510 177.131 176.870 -0.416 0.000 1.195 8 L CA 1.289 55.566 54.840 -0.938 0.000 0.920 8 L CB 0.325 41.658 42.059 -1.210 0.000 1.173 8 L HN 0.798 nan 8.230 nan 0.000 0.489 9 E N 2.026 122.027 120.200 -0.332 0.000 2.453 9 E HA 0.170 4.520 4.350 0.001 0.000 0.211 9 E C -0.139 176.364 176.600 -0.161 0.000 0.897 9 E CA 0.072 56.368 56.400 -0.174 0.000 1.063 9 E CB 0.840 30.490 29.700 -0.083 0.000 1.080 9 E HN 0.566 nan 8.360 nan 0.000 0.512 10 S N 0.429 116.010 115.700 -0.199 0.000 2.543 10 S HA 0.414 4.885 4.470 0.001 0.000 0.273 10 S C -1.536 172.985 174.600 -0.133 0.000 1.152 10 S CA -0.563 57.556 58.200 -0.134 0.000 0.910 10 S CB 1.759 64.904 63.200 -0.090 0.000 1.105 10 S HN -0.070 nan 8.310 nan 0.000 0.465 11 V N 3.863 123.731 119.914 -0.077 0.000 2.588 11 V HA 0.703 4.823 4.120 0.001 0.000 0.304 11 V C -0.839 175.268 176.094 0.022 0.000 1.042 11 V CA -0.632 61.652 62.300 -0.028 0.000 0.877 11 V CB 1.876 33.687 31.823 -0.020 0.000 0.996 11 V HN 0.685 nan 8.190 nan 0.000 0.425 12 V N 5.983 125.935 119.914 0.064 0.000 2.482 12 V HA 0.532 4.653 4.120 0.001 0.000 0.295 12 V C -0.519 175.640 176.094 0.107 0.000 1.026 12 V CA -0.295 62.043 62.300 0.064 0.000 0.856 12 V CB 1.845 33.682 31.823 0.024 0.000 1.001 12 V HN 0.722 nan 8.190 nan 0.000 0.424 13 I N 5.257 125.827 120.570 0.000 0.000 2.355 13 I HA 0.441 4.611 4.170 0.001 0.000 0.288 13 I C -0.503 175.421 176.117 -0.322 0.000 0.999 13 I CA -0.795 60.442 61.300 -0.105 0.000 1.163 13 I CB 2.008 39.948 38.000 -0.100 0.000 1.316 13 I HN 0.262 nan 8.210 nan 0.000 0.454 14 V N 5.387 125.196 119.914 -0.175 0.000 2.333 14 V HA 0.310 4.430 4.120 0.001 0.000 0.274 14 V C 0.203 176.136 176.094 -0.269 0.000 1.028 14 V CA -0.213 61.965 62.300 -0.203 0.000 0.851 14 V CB 1.193 33.028 31.823 0.020 0.000 1.000 14 V HN 0.791 nan 8.190 nan 0.000 0.456 15 S N 5.568 120.992 115.700 -0.460 0.000 2.532 15 S HA 0.646 5.116 4.470 0.001 0.000 0.301 15 S C -0.266 174.206 174.600 -0.213 0.000 1.083 15 S CA -0.846 57.157 58.200 -0.328 0.000 1.025 15 S CB 1.530 64.477 63.200 -0.422 0.000 1.056 15 S HN 0.794 nan 8.310 nan 0.000 0.494 16 R N 1.879 122.292 120.500 -0.146 0.000 2.490 16 R HA 0.308 4.649 4.340 0.001 0.000 0.278 16 R C 0.043 176.215 176.300 -0.214 0.000 1.069 16 R CA -0.382 55.576 56.100 -0.236 0.000 1.080 16 R CB 0.246 30.419 30.300 -0.213 0.000 1.030 16 R HN 0.947 nan 8.270 nan 0.000 0.491 17 H N 0.712 119.748 119.070 -0.057 0.000 2.830 17 H HA 0.221 4.778 4.556 0.001 0.000 0.382 17 H C 0.589 175.938 175.328 0.035 0.000 1.423 17 H CA -0.025 56.006 56.048 -0.027 0.000 1.464 17 H CB -0.035 29.692 29.762 -0.059 0.000 1.495 17 H HN 0.734 nan 8.280 nan 0.000 0.617 18 G N -0.824 108.124 108.800 0.246 0.000 2.588 18 G HA2 0.380 4.340 3.960 0.001 0.000 0.281 18 G HA3 0.380 4.340 3.960 0.001 0.000 0.281 18 G C -0.155 174.873 174.900 0.213 0.000 1.236 18 G CA -0.467 44.743 45.100 0.185 0.000 0.969 18 G HN 0.976 nan 8.290 nan 0.000 0.504 19 V N -1.162 118.848 119.914 0.160 0.000 2.644 19 V HA 0.482 4.602 4.120 0.001 0.000 0.305 19 V C 0.151 176.313 176.094 0.113 0.000 1.053 19 V CA -0.197 62.195 62.300 0.153 0.000 1.186 19 V CB -0.333 31.598 31.823 0.180 0.000 0.895 19 V HN 0.974 nan 8.190 nan 0.000 0.490 20 R N 4.042 124.551 120.500 0.015 0.000 2.836 20 R HA 0.898 5.239 4.340 0.001 0.000 0.269 20 R C -0.298 175.752 176.300 -0.416 0.000 1.010 20 R CA -0.369 55.674 56.100 -0.096 0.000 0.930 20 R CB 1.432 31.658 30.300 -0.122 0.000 1.218 20 R HN 1.061 nan 8.270 nan 0.000 0.473 21 A N 2.122 124.655 122.820 -0.477 0.000 2.445 21 A HA 0.329 4.650 4.320 0.001 0.000 0.242 21 A C -1.964 175.157 177.584 -0.772 0.000 1.075 21 A CA -1.389 50.044 52.037 -1.007 0.000 0.777 21 A CB -0.493 18.213 19.000 -0.489 0.000 1.013 21 A HN 0.628 nan 8.150 nan 0.000 0.493 22 P HA -0.059 nan 4.420 nan 0.000 0.257 22 P C 1.178 178.277 177.300 -0.335 0.000 1.189 22 P CA 0.905 63.698 63.100 -0.512 0.000 0.780 22 P CB -0.051 31.364 31.700 -0.475 0.000 0.772 23 T N 1.263 115.677 114.554 -0.233 0.000 2.792 23 T HA -0.199 4.151 4.350 0.001 0.000 0.268 23 T C 0.686 175.303 174.700 -0.138 0.000 1.059 23 T CA 1.278 63.289 62.100 -0.148 0.000 1.136 23 T CB -0.225 68.587 68.868 -0.094 0.000 0.846 23 T HN 0.399 nan 8.240 nan 0.000 0.489 24 K N -0.322 119.976 120.400 -0.169 0.000 2.439 24 K HA 0.728 5.048 4.320 0.001 0.000 0.260 24 K C -1.309 175.176 176.600 -0.192 0.000 1.032 24 K CA -0.657 55.541 56.287 -0.150 0.000 0.882 24 K CB 2.265 34.693 32.500 -0.120 0.000 1.420 24 K HN 0.022 nan 8.250 nan 0.000 0.455 25 A N 1.340 124.069 122.820 -0.152 0.000 3.455 25 A HA 0.184 4.505 4.320 0.001 0.000 0.225 25 A C -0.070 177.458 177.584 -0.093 0.000 1.052 25 A CA -0.558 51.383 52.037 -0.159 0.000 1.005 25 A CB -0.302 18.638 19.000 -0.100 0.000 1.318 25 A HN 0.690 nan 8.150 nan 0.000 0.639 26 T N -2.412 112.086 114.554 -0.092 0.000 2.652 26 T HA 0.217 4.567 4.350 0.001 0.000 0.319 26 T C 1.036 175.740 174.700 0.008 0.000 1.029 26 T CA 0.934 63.013 62.100 -0.035 0.000 0.990 26 T CB 0.606 69.458 68.868 -0.028 0.000 1.098 26 T HN 0.283 nan 8.240 nan 0.000 0.520 27 Q N -0.687 119.132 119.800 0.032 0.000 2.302 27 Q HA 0.225 4.565 4.340 0.001 0.000 0.202 27 Q C 1.952 178.006 176.000 0.089 0.000 0.936 27 Q CA 0.894 56.735 55.803 0.063 0.000 0.886 27 Q CB -0.634 28.134 28.738 0.051 0.000 0.986 27 Q HN 0.754 nan 8.270 nan 0.000 0.487 28 L N -0.468 120.801 121.223 0.076 0.000 2.046 28 L HA -0.156 4.184 4.340 0.001 0.000 0.208 28 L C 2.011 178.974 176.870 0.156 0.000 1.077 28 L CA 1.262 56.164 54.840 0.103 0.000 0.747 28 L CB -0.130 41.976 42.059 0.078 0.000 0.896 28 L HN 0.382 nan 8.230 nan 0.000 0.432 29 M N -0.943 118.733 119.600 0.127 0.000 2.108 29 M HA -0.274 4.206 4.480 0.001 0.000 0.261 29 M C 2.121 178.706 176.300 0.475 0.000 1.066 29 M CA 1.780 57.203 55.300 0.205 0.000 1.107 29 M CB -0.262 32.284 32.600 -0.090 0.000 1.356 29 M HN 0.217 nan 8.290 nan 0.000 0.406 30 Q N 0.331 120.350 119.800 0.365 0.000 2.389 30 Q HA -0.097 4.244 4.340 0.001 0.000 0.204 30 Q C 0.854 177.008 176.000 0.258 0.000 0.944 30 Q CA 1.179 57.221 55.803 0.399 0.000 0.908 30 Q CB 0.051 28.963 28.738 0.289 0.000 1.002 30 Q HN 0.357 nan 8.270 nan 0.000 0.493 31 D N -1.200 119.333 120.400 0.221 0.000 2.347 31 D HA -0.049 4.591 4.640 0.001 0.000 0.213 31 D C 1.173 177.602 176.300 0.215 0.000 0.985 31 D CA 0.836 54.938 54.000 0.169 0.000 0.879 31 D CB 0.521 41.404 40.800 0.139 0.000 0.919 31 D HN 0.296 nan 8.370 nan 0.000 0.526 32 V N -2.815 117.288 119.914 0.316 0.000 3.542 32 V HA 0.299 4.419 4.120 0.001 0.000 0.296 32 V C 0.543 176.878 176.094 0.402 0.000 1.364 32 V CA 0.001 62.581 62.300 0.467 0.000 1.118 32 V CB 0.195 32.286 31.823 0.446 0.000 0.972 32 V HN -0.030 nan 8.190 nan 0.000 0.430 33 T N 1.441 116.123 114.554 0.214 0.000 3.172 33 T HA 0.489 4.839 4.350 0.001 0.000 0.320 33 T C -2.432 172.198 174.700 -0.117 0.000 1.085 33 T CA -0.620 61.472 62.100 -0.013 0.000 1.052 33 T CB 2.395 71.163 68.868 -0.165 0.000 1.107 33 T HN 0.102 nan 8.240 nan 0.000 0.458 34 P HA 0.116 nan 4.420 nan 0.000 0.229 34 P C 0.017 177.166 177.300 -0.252 0.000 1.160 34 P CA 0.325 63.318 63.100 -0.178 0.000 0.777 34 P CB 0.310 31.906 31.700 -0.173 0.000 0.814 35 D N 0.423 120.534 120.400 -0.482 0.000 2.377 35 D HA 0.315 4.955 4.640 0.001 0.000 0.245 35 D C 0.157 176.269 176.300 -0.315 0.000 1.196 35 D CA -0.054 53.595 54.000 -0.585 0.000 0.962 35 D CB 1.169 41.135 40.800 -1.389 0.000 1.127 35 D HN -0.017 nan 8.370 nan 0.000 0.471 36 A N 1.027 123.802 122.820 -0.074 0.000 2.274 36 A HA 0.313 4.633 4.320 0.001 0.000 0.309 36 A C -0.928 176.880 177.584 0.374 0.000 1.226 36 A CA -0.642 51.485 52.037 0.150 0.000 0.853 36 A CB 0.105 19.194 19.000 0.148 0.000 1.146 36 A HN 0.460 nan 8.150 nan 0.000 0.518 37 W N 3.621 125.168 121.300 0.411 0.000 2.251 37 W HA 0.364 5.024 4.660 0.001 0.000 0.327 37 W C -1.561 175.095 176.519 0.229 0.000 1.361 37 W CA -1.063 56.499 57.345 0.362 0.000 1.234 37 W CB 0.237 29.859 29.460 0.270 0.000 1.212 37 W HN 0.511 nan 8.180 nan 0.000 0.557 38 P HA 0.049 nan 4.420 nan 0.000 0.271 38 P C 0.028 177.464 177.300 0.227 0.000 1.216 38 P CA -0.151 63.067 63.100 0.197 0.000 0.771 38 P CB 0.707 32.428 31.700 0.037 0.000 0.864 39 T N 0.389 115.038 114.554 0.159 0.000 2.899 39 T HA 0.277 4.628 4.350 0.001 0.000 0.295 39 T C -0.349 174.417 174.700 0.111 0.000 1.033 39 T CA -0.465 61.751 62.100 0.193 0.000 1.084 39 T CB 0.473 69.418 68.868 0.128 0.000 0.979 39 T HN 0.328 nan 8.240 nan 0.000 0.532 40 W N 1.527 122.844 121.300 0.028 0.000 2.578 40 W HA 0.479 5.140 4.660 0.001 0.000 0.364 40 W C -1.019 175.505 176.519 0.008 0.000 1.144 40 W CA -1.888 55.469 57.345 0.020 0.000 1.242 40 W CB 0.658 30.125 29.460 0.012 0.000 1.382 40 W HN 0.546 nan 8.180 nan 0.000 0.625 41 P HA -0.050 nan 4.420 nan 0.000 0.219 41 P C 0.299 177.673 177.300 0.122 0.000 1.154 41 P CA 1.120 64.297 63.100 0.129 0.000 0.826 41 P CB 0.262 32.022 31.700 0.100 0.000 0.795 42 V N -2.645 117.372 119.914 0.172 0.000 3.211 42 V HA 0.465 4.585 4.120 0.001 0.000 0.319 42 V C 0.318 176.396 176.094 -0.028 0.000 1.096 42 V CA -1.512 60.838 62.300 0.084 0.000 1.029 42 V CB 0.807 32.742 31.823 0.187 0.000 1.137 42 V HN -0.182 nan 8.190 nan 0.000 0.453 43 K N 0.954 121.193 120.400 -0.268 0.000 2.286 43 K HA 0.378 4.699 4.320 0.001 0.000 0.256 43 K C -0.321 176.120 176.600 -0.264 0.000 0.999 43 K CA -0.252 55.773 56.287 -0.436 0.000 0.908 43 K CB 0.213 32.093 32.500 -1.034 0.000 0.981 43 K HN 0.546 nan 8.250 nan 0.000 0.500 44 L N 1.067 122.155 121.223 -0.225 0.000 2.485 44 L HA -0.006 4.334 4.340 0.001 0.000 0.275 44 L C 1.465 178.306 176.870 -0.048 0.000 1.207 44 L CA 0.618 55.360 54.840 -0.165 0.000 0.855 44 L CB -0.013 41.953 42.059 -0.156 0.000 1.114 44 L HN 1.058 nan 8.230 nan 0.000 0.485 45 G N 1.162 109.925 108.800 -0.061 0.000 2.175 45 G HA2 -0.262 3.698 3.960 0.001 0.000 0.265 45 G HA3 -0.262 3.698 3.960 0.001 0.000 0.265 45 G C -0.416 174.585 174.900 0.170 0.000 0.979 45 G CA -0.161 44.946 45.100 0.013 0.000 0.663 45 G HN 0.528 nan 8.290 nan 0.000 0.533 46 W N -0.603 120.613 121.300 -0.140 0.000 2.512 46 W HA 0.754 5.414 4.660 0.001 0.000 0.335 46 W C 0.305 176.777 176.519 -0.078 0.000 1.088 46 W CA -1.601 55.688 57.345 -0.093 0.000 1.236 46 W CB 0.876 30.306 29.460 -0.049 0.000 1.307 46 W HN 0.145 nan 8.180 nan 0.000 0.567 47 L N 3.265 124.541 121.223 0.088 0.000 2.416 47 L HA 0.326 4.667 4.340 0.001 0.000 0.272 47 L C 0.807 177.759 176.870 0.137 0.000 1.161 47 L CA 0.370 55.251 54.840 0.068 0.000 0.845 47 L CB 0.274 42.338 42.059 0.008 0.000 1.119 47 L HN 0.474 nan 8.230 nan 0.000 0.464 48 T N 3.062 117.705 114.554 0.148 0.000 2.909 48 T HA 0.451 4.801 4.350 0.001 0.000 0.286 48 T C -1.669 173.096 174.700 0.108 0.000 1.002 48 T CA -1.520 60.683 62.100 0.171 0.000 1.074 48 T CB 1.189 70.204 68.868 0.244 0.000 0.984 48 T HN 0.599 nan 8.240 nan 0.000 0.495 49 P HA -0.242 nan 4.420 nan 0.000 0.216 49 P C 1.494 178.802 177.300 0.013 0.000 1.157 49 P CA 1.190 64.314 63.100 0.040 0.000 0.880 49 P CB 0.126 31.848 31.700 0.037 0.000 0.791 50 R N 0.548 121.069 120.500 0.035 0.000 2.091 50 R HA -0.089 4.252 4.340 0.001 0.000 0.238 50 R C 2.569 178.878 176.300 0.015 0.000 1.136 50 R CA 2.221 58.331 56.100 0.017 0.000 0.959 50 R CB -1.745 28.586 30.300 0.051 0.000 0.856 50 R HN 0.222 nan 8.270 nan 0.000 0.437 51 G N -1.083 107.756 108.800 0.064 0.000 2.421 51 G HA2 -0.196 3.764 3.960 0.001 0.000 0.216 51 G HA3 -0.196 3.764 3.960 0.001 0.000 0.216 51 G C 1.557 176.472 174.900 0.026 0.000 1.171 51 G CA 0.686 45.829 45.100 0.071 0.000 0.775 51 G HN 0.527 nan 8.290 nan 0.000 0.543 52 G N 0.379 109.183 108.800 0.007 0.000 2.422 52 G HA2 -0.118 3.843 3.960 0.001 0.000 0.218 52 G HA3 -0.118 3.843 3.960 0.001 0.000 0.218 52 G C 1.611 176.449 174.900 -0.103 0.000 1.146 52 G CA 1.063 46.148 45.100 -0.024 0.000 0.769 52 G HN 0.510 nan 8.290 nan 0.000 0.547 53 E N 0.013 120.110 120.200 -0.172 0.000 2.051 53 E HA -0.060 4.291 4.350 0.001 0.000 0.192 53 E C 2.622 178.877 176.600 -0.576 0.000 0.991 53 E CA 0.593 56.752 56.400 -0.403 0.000 0.799 53 E CB -0.227 29.220 29.700 -0.422 0.000 0.748 53 E HN 0.372 nan 8.360 nan 0.000 0.449 54 L N 0.944 121.986 121.223 -0.303 0.000 2.043 54 L HA -0.245 4.096 4.340 0.001 0.000 0.212 54 L C 2.473 179.346 176.870 0.004 0.000 1.075 54 L CA 0.745 55.527 54.840 -0.097 0.000 0.752 54 L CB -0.409 41.675 42.059 0.043 0.000 0.891 54 L HN 0.229 nan 8.230 nan 0.000 0.432 55 I N 0.058 120.636 120.570 0.015 0.000 2.179 55 I HA -0.246 3.924 4.170 0.001 0.000 0.242 55 I C 2.865 179.033 176.117 0.085 0.000 1.088 55 I CA 1.612 62.979 61.300 0.112 0.000 1.357 55 I CB -1.481 36.597 38.000 0.131 0.000 1.051 55 I HN 0.194 nan 8.210 nan 0.000 0.409 56 A N 0.267 123.060 122.820 -0.045 0.000 1.986 56 A HA -0.251 4.069 4.320 0.001 0.000 0.220 56 A C 2.192 179.797 177.584 0.036 0.000 1.171 56 A CA 1.498 53.487 52.037 -0.080 0.000 0.640 56 A CB -0.922 17.988 19.000 -0.149 0.000 0.811 56 A HN 0.362 nan 8.150 nan 0.000 0.451 57 Y N -0.142 120.169 120.300 0.017 0.000 2.145 57 Y HA -0.144 4.406 4.550 0.001 0.000 0.286 57 Y C 2.228 178.185 175.900 0.095 0.000 1.145 57 Y CA 0.908 59.029 58.100 0.035 0.000 1.148 57 Y CB -0.995 37.471 38.460 0.011 0.000 0.981 57 Y HN 0.212 nan 8.280 nan 0.000 0.507 58 L N -0.991 120.396 121.223 0.274 0.000 2.127 58 L HA -0.190 4.151 4.340 0.001 0.000 0.211 58 L C 2.619 179.626 176.870 0.229 0.000 1.089 58 L CA 1.336 56.342 54.840 0.276 0.000 0.757 58 L CB -1.044 41.209 42.059 0.323 0.000 0.899 58 L HN 0.297 nan 8.230 nan 0.000 0.434 59 G N -1.357 107.415 108.800 -0.047 0.000 2.404 59 G HA2 -0.332 3.629 3.960 0.001 0.000 0.215 59 G HA3 -0.332 3.629 3.960 0.001 0.000 0.215 59 G C 1.310 176.061 174.900 -0.248 0.000 1.174 59 G CA 0.952 45.685 45.100 -0.611 0.000 0.780 59 G HN 0.401 nan 8.290 nan 0.000 0.537 60 H N -0.607 118.394 119.070 -0.116 0.000 2.289 60 H HA -0.228 4.328 4.556 0.001 0.000 0.296 60 H C 2.147 177.464 175.328 -0.018 0.000 1.091 60 H CA 2.236 58.255 56.048 -0.048 0.000 1.274 60 H CB -0.534 29.255 29.762 0.045 0.000 1.364 60 H HN 0.367 nan 8.280 nan 0.000 0.490 61 Y N 0.930 121.240 120.300 0.018 0.000 2.081 61 Y HA -0.294 4.256 4.550 0.001 0.000 0.280 61 Y C 2.454 178.318 175.900 -0.060 0.000 1.163 61 Y CA 2.180 60.265 58.100 -0.025 0.000 1.135 61 Y CB -0.330 38.154 38.460 0.039 0.000 0.970 61 Y HN 0.297 nan 8.280 nan 0.000 0.498 62 Q N 0.098 119.869 119.800 -0.048 0.000 2.170 62 Q HA -0.216 4.124 4.340 0.001 0.000 0.203 62 Q C 2.335 178.215 176.000 -0.200 0.000 0.976 62 Q CA 1.699 57.444 55.803 -0.097 0.000 0.858 62 Q CB -0.461 28.390 28.738 0.188 0.000 0.907 62 Q HN 0.374 nan 8.270 nan 0.000 0.433 63 R N 1.230 121.590 120.500 -0.235 0.000 2.070 63 R HA -0.111 4.230 4.340 0.001 0.000 0.233 63 R C 2.093 178.237 176.300 -0.260 0.000 1.137 63 R CA 1.782 57.742 56.100 -0.233 0.000 0.945 63 R CB -0.424 29.720 30.300 -0.261 0.000 0.845 63 R HN 0.299 nan 8.270 nan 0.000 0.430 64 Q N -0.328 119.264 119.800 -0.346 0.000 2.061 64 Q HA -0.189 4.152 4.340 0.001 0.000 0.204 64 Q C 2.298 178.121 176.000 -0.295 0.000 0.984 64 Q CA 1.864 57.476 55.803 -0.319 0.000 0.846 64 Q CB -0.277 28.257 28.738 -0.341 0.000 0.902 64 Q HN 0.306 nan 8.270 nan 0.000 0.421 65 R N 0.321 120.565 120.500 -0.427 0.000 2.081 65 R HA -0.129 4.212 4.340 0.001 0.000 0.235 65 R C 2.155 178.342 176.300 -0.189 0.000 1.131 65 R CA 0.944 56.832 56.100 -0.354 0.000 0.960 65 R CB -0.050 29.932 30.300 -0.530 0.000 0.856 65 R HN 0.228 nan 8.270 nan 0.000 0.436 66 L N 0.452 121.570 121.223 -0.175 0.000 2.141 66 L HA -0.107 4.234 4.340 0.001 0.000 0.209 66 L C 2.399 179.201 176.870 -0.113 0.000 1.094 66 L CA 1.072 55.838 54.840 -0.124 0.000 0.763 66 L CB -0.735 41.264 42.059 -0.099 0.000 0.908 66 L HN 0.125 nan 8.230 nan 0.000 0.437 67 V N 0.273 120.113 119.914 -0.123 0.000 2.270 67 V HA -0.228 3.892 4.120 0.001 0.000 0.245 67 V C 2.799 178.845 176.094 -0.079 0.000 1.043 67 V CA 1.555 63.795 62.300 -0.099 0.000 1.014 67 V CB -0.768 30.989 31.823 -0.110 0.000 0.645 67 V HN 0.461 nan 8.190 nan 0.000 0.447 68 A N -0.580 122.189 122.820 -0.085 0.000 2.032 68 A HA -0.266 4.054 4.320 0.001 0.000 0.221 68 A C 1.868 179.438 177.584 -0.023 0.000 1.165 68 A CA 2.061 54.066 52.037 -0.052 0.000 0.645 68 A CB -0.472 18.494 19.000 -0.057 0.000 0.807 68 A HN 0.596 nan 8.150 nan 0.000 0.453 69 D N -1.507 118.872 120.400 -0.035 0.000 2.339 69 D HA 0.216 4.857 4.640 0.001 0.000 0.217 69 D C 1.374 177.644 176.300 -0.051 0.000 1.050 69 D CA 0.960 54.949 54.000 -0.018 0.000 0.856 69 D CB 0.072 40.839 40.800 -0.055 0.000 0.922 69 D HN 0.582 nan 8.370 nan 0.000 0.518 70 G N 1.662 110.429 108.800 -0.055 0.000 2.168 70 G HA2 -0.315 3.645 3.960 0.001 0.000 0.257 70 G HA3 -0.315 3.645 3.960 0.001 0.000 0.257 70 G C 0.911 175.768 174.900 -0.072 0.000 0.997 70 G CA 0.663 45.730 45.100 -0.054 0.000 0.708 70 G HN 0.378 nan 8.290 nan 0.000 0.520 71 L N -1.302 119.862 121.223 -0.098 0.000 2.307 71 L HA 0.582 4.923 4.340 0.001 0.000 0.211 71 L C 0.840 177.664 176.870 -0.076 0.000 1.099 71 L CA 1.007 55.785 54.840 -0.103 0.000 0.816 71 L CB 0.079 42.054 42.059 -0.140 0.000 0.952 71 L HN 0.210 nan 8.230 nan 0.000 0.455 72 L N -0.205 120.973 121.223 -0.075 0.000 2.362 72 L HA 0.651 4.991 4.340 0.001 0.000 0.271 72 L C 0.134 176.967 176.870 -0.063 0.000 1.002 72 L CA -0.695 54.106 54.840 -0.065 0.000 0.818 72 L CB 1.175 43.192 42.059 -0.070 0.000 1.298 72 L HN 0.029 nan 8.230 nan 0.000 0.420 73 A N 2.560 125.348 122.820 -0.053 0.000 2.483 73 A HA 0.159 4.480 4.320 0.001 0.000 0.238 73 A C 1.208 178.757 177.584 -0.057 0.000 1.070 73 A CA 0.074 52.082 52.037 -0.048 0.000 0.770 73 A CB 0.024 19.001 19.000 -0.039 0.000 1.008 73 A HN 0.866 nan 8.150 nan 0.000 0.497 74 K N -0.040 120.327 120.400 -0.054 0.000 2.217 74 K HA -0.047 4.274 4.320 0.001 0.000 0.202 74 K C 0.169 176.735 176.600 -0.056 0.000 1.051 74 K CA 1.295 57.546 56.287 -0.061 0.000 0.952 74 K CB -0.052 32.417 32.500 -0.052 0.000 0.736 74 K HN 0.592 nan 8.250 nan 0.000 0.453 75 K N -1.162 119.212 120.400 -0.044 0.000 2.400 75 K HA 0.492 4.812 4.320 0.001 0.000 0.246 75 K C -0.837 175.743 176.600 -0.034 0.000 0.995 75 K CA 0.030 56.295 56.287 -0.037 0.000 0.840 75 K CB 1.997 34.480 32.500 -0.028 0.000 1.293 75 K HN 0.224 nan 8.250 nan 0.000 0.445 76 G N 0.022 108.805 108.800 -0.030 0.000 2.888 76 G HA2 -0.240 3.721 3.960 0.001 0.000 0.441 76 G HA3 -0.240 3.721 3.960 0.001 0.000 0.441 76 G C -0.313 174.569 174.900 -0.030 0.000 1.461 76 G CA -0.589 44.495 45.100 -0.026 0.000 0.897 76 G HN 0.716 nan 8.290 nan 0.000 0.547 77 c N 2.895 121.480 118.600 -0.025 0.000 2.644 77 c HA 0.529 5.100 4.570 0.001 0.000 0.417 77 c C -0.475 173.601 174.090 -0.023 0.000 1.304 77 c CA -0.347 55.966 56.329 -0.025 0.000 2.035 77 c CB 0.337 42.836 42.510 -0.018 0.000 2.673 77 c HN 0.815 nan 8.230 nan 0.000 0.602 78 P HA 0.051 nan 4.420 nan 0.000 0.268 78 P C -0.644 176.648 177.300 -0.012 0.000 1.208 78 P CA 0.111 63.199 63.100 -0.021 0.000 0.777 78 P CB 0.451 32.140 31.700 -0.018 0.000 0.875 79 Q N 0.235 120.027 119.800 -0.013 0.000 2.428 79 Q HA 0.093 4.433 4.340 0.001 0.000 0.276 79 Q C 0.653 176.652 176.000 -0.001 0.000 1.059 79 Q CA 0.130 55.927 55.803 -0.009 0.000 0.923 79 Q CB 0.004 28.734 28.738 -0.013 0.000 1.283 79 Q HN 0.421 nan 8.270 nan 0.000 0.447 80 S N 0.474 116.175 115.700 0.002 0.000 2.544 80 S HA 0.240 4.710 4.470 0.001 0.000 0.290 80 S C 0.971 175.576 174.600 0.009 0.000 1.276 80 S CA 0.754 58.961 58.200 0.011 0.000 1.075 80 S CB -0.357 62.849 63.200 0.010 0.000 0.849 80 S HN 0.899 nan 8.310 nan 0.000 0.494 81 G N 3.484 112.295 108.800 0.019 0.000 2.160 81 G HA2 -0.289 3.672 3.960 0.001 0.000 0.251 81 G HA3 -0.289 3.672 3.960 0.001 0.000 0.251 81 G C 0.444 175.344 174.900 0.000 0.000 1.008 81 G CA 0.810 45.916 45.100 0.010 0.000 0.724 81 G HN 0.786 nan 8.290 nan 0.000 0.514 82 Q N -1.190 118.613 119.800 0.006 0.000 2.349 82 Q HA 0.403 4.744 4.340 0.001 0.000 0.209 82 Q C 0.551 176.558 176.000 0.011 0.000 0.920 82 Q CA 0.940 56.742 55.803 -0.003 0.000 0.901 82 Q CB 0.539 29.272 28.738 -0.009 0.000 1.021 82 Q HN 0.497 nan 8.270 nan 0.000 0.519 83 V N 1.613 121.547 119.914 0.033 0.000 2.444 83 V HA 0.696 4.816 4.120 0.001 0.000 0.294 83 V C -0.736 175.413 176.094 0.092 0.000 1.022 83 V CA -0.639 61.700 62.300 0.064 0.000 0.850 83 V CB 1.267 33.130 31.823 0.067 0.000 0.992 83 V HN 0.267 nan 8.190 nan 0.000 0.426 84 A N 6.316 129.198 122.820 0.103 0.000 2.342 84 A HA 0.939 5.259 4.320 0.001 0.000 0.323 84 A C -0.809 176.885 177.584 0.182 0.000 1.125 84 A CA -0.563 51.554 52.037 0.132 0.000 0.785 84 A CB 0.966 19.993 19.000 0.045 0.000 1.221 84 A HN 0.768 nan 8.150 nan 0.000 0.463 85 I N 2.821 123.547 120.570 0.260 0.000 2.447 85 I HA 0.414 4.585 4.170 0.001 0.000 0.287 85 I C -0.915 175.340 176.117 0.230 0.000 1.023 85 I CA -0.197 61.253 61.300 0.250 0.000 1.083 85 I CB 1.679 39.802 38.000 0.205 0.000 1.245 85 I HN 0.502 nan 8.210 nan 0.000 0.434 86 I N 5.031 125.677 120.570 0.126 0.000 2.569 86 I HA 0.756 4.926 4.170 0.001 0.000 0.296 86 I C -0.204 175.957 176.117 0.072 0.000 1.028 86 I CA -0.471 60.834 61.300 0.008 0.000 1.082 86 I CB 2.182 40.020 38.000 -0.269 0.000 1.264 86 I HN 0.651 nan 8.210 nan 0.000 0.429 87 A N 3.970 126.837 122.820 0.079 0.000 2.475 87 A HA 0.507 4.827 4.320 0.001 0.000 0.301 87 A C -1.041 176.489 177.584 -0.090 0.000 1.059 87 A CA -0.618 51.424 52.037 0.008 0.000 0.710 87 A CB 1.588 20.582 19.000 -0.010 0.000 1.288 87 A HN 0.639 nan 8.150 nan 0.000 0.408 88 D N 0.444 120.470 120.400 -0.623 0.000 2.362 88 D HA 0.121 4.761 4.640 0.001 0.000 0.238 88 D C 1.731 177.899 176.300 -0.219 0.000 1.212 88 D CA 0.650 54.176 54.000 -0.790 0.000 0.902 88 D CB 1.215 41.368 40.800 -1.079 0.000 1.180 88 D HN 0.728 nan 8.370 nan 0.000 0.445 89 V N -0.872 118.997 119.914 -0.075 0.000 2.913 89 V HA -0.046 4.074 4.120 0.001 0.000 0.260 89 V C 0.505 176.565 176.094 -0.056 0.000 1.098 89 V CA 0.742 63.030 62.300 -0.019 0.000 1.121 89 V CB -0.575 31.264 31.823 0.027 0.000 0.714 89 V HN 0.341 nan 8.190 nan 0.000 0.487 90 D N 1.458 121.816 120.400 -0.070 0.000 2.419 90 D HA -0.009 4.631 4.640 0.001 0.000 0.236 90 D C 1.369 177.569 176.300 -0.167 0.000 1.165 90 D CA 0.332 54.281 54.000 -0.084 0.000 0.882 90 D CB 0.793 41.580 40.800 -0.021 0.000 1.201 90 D HN 0.328 nan 8.370 nan 0.000 0.443 91 E N 2.041 122.079 120.200 -0.270 0.000 2.031 91 E HA -0.212 4.138 4.350 0.001 0.000 0.193 91 E C 1.894 178.272 176.600 -0.370 0.000 0.994 91 E CA 1.081 57.205 56.400 -0.460 0.000 0.800 91 E CB 0.080 29.191 29.700 -0.981 0.000 0.752 91 E HN 0.541 nan 8.360 nan 0.000 0.447 92 R N 0.176 120.486 120.500 -0.316 0.000 2.127 92 R HA -0.094 4.246 4.340 0.001 0.000 0.238 92 R C 2.314 178.544 176.300 -0.116 0.000 1.134 92 R CA 2.005 57.973 56.100 -0.220 0.000 0.975 92 R CB -1.067 29.056 30.300 -0.295 0.000 0.865 92 R HN 0.182 nan 8.270 nan 0.000 0.447 93 T N -1.601 112.879 114.554 -0.123 0.000 2.978 93 T HA 0.046 4.396 4.350 0.001 0.000 0.262 93 T C 1.996 176.648 174.700 -0.080 0.000 1.063 93 T CA 0.573 62.606 62.100 -0.111 0.000 1.140 93 T CB -0.107 68.599 68.868 -0.271 0.000 0.886 93 T HN 0.255 nan 8.240 nan 0.000 0.470 94 R N 1.231 121.667 120.500 -0.106 0.000 2.081 94 R HA 0.022 4.363 4.340 0.001 0.000 0.235 94 R C 2.281 178.547 176.300 -0.057 0.000 1.131 94 R CA 1.061 57.114 56.100 -0.077 0.000 0.960 94 R CB -0.034 30.201 30.300 -0.107 0.000 0.856 94 R HN 0.138 nan 8.270 nan 0.000 0.436 95 K N -0.541 119.807 120.400 -0.086 0.000 2.217 95 K HA -0.028 4.293 4.320 0.001 0.000 0.202 95 K C 1.883 178.480 176.600 -0.005 0.000 1.051 95 K CA 1.318 57.567 56.287 -0.063 0.000 0.952 95 K CB -0.074 32.367 32.500 -0.098 0.000 0.736 95 K HN 0.218 nan 8.250 nan 0.000 0.453 96 T N 0.378 114.949 114.554 0.029 0.000 2.867 96 T HA -0.065 4.285 4.350 0.001 0.000 0.268 96 T C 1.867 176.647 174.700 0.134 0.000 1.057 96 T CA 1.407 63.568 62.100 0.102 0.000 1.136 96 T CB -0.212 68.743 68.868 0.144 0.000 0.874 96 T HN 0.433 nan 8.240 nan 0.000 0.466 97 G N 1.401 110.272 108.800 0.118 0.000 2.404 97 G HA2 -0.163 3.797 3.960 0.001 0.000 0.215 97 G HA3 -0.163 3.797 3.960 0.001 0.000 0.215 97 G C 1.443 176.364 174.900 0.036 0.000 1.174 97 G CA 0.578 45.750 45.100 0.120 0.000 0.780 97 G HN 0.500 nan 8.290 nan 0.000 0.537 98 E N 0.679 120.885 120.200 0.010 0.000 2.031 98 E HA -0.031 4.319 4.350 0.001 0.000 0.193 98 E C 2.962 179.549 176.600 -0.023 0.000 0.994 98 E CA 0.771 57.161 56.400 -0.017 0.000 0.800 98 E CB -0.260 29.421 29.700 -0.030 0.000 0.752 98 E HN 0.368 nan 8.360 nan 0.000 0.447 99 A N 1.076 123.891 122.820 -0.009 0.000 1.948 99 A HA -0.227 4.093 4.320 0.001 0.000 0.220 99 A C 2.006 179.571 177.584 -0.032 0.000 1.177 99 A CA 1.401 53.426 52.037 -0.019 0.000 0.636 99 A CB -0.785 18.218 19.000 0.005 0.000 0.815 99 A HN 0.351 nan 8.150 nan 0.000 0.449 100 F N 0.402 120.226 119.950 -0.209 0.000 2.206 100 F HA 0.085 4.613 4.527 0.001 0.000 0.298 100 F C 2.468 178.091 175.800 -0.295 0.000 1.090 100 F CA 0.994 58.784 58.000 -0.351 0.000 1.323 100 F CB -0.199 38.280 39.000 -0.868 0.000 1.028 100 F HN 0.257 nan 8.300 nan 0.000 0.492 101 A N 0.558 123.304 122.820 -0.125 0.000 1.855 101 A HA -0.066 4.254 4.320 0.001 0.000 0.215 101 A C 2.411 179.896 177.584 -0.166 0.000 1.191 101 A CA 1.649 53.606 52.037 -0.133 0.000 0.613 101 A CB -1.602 17.370 19.000 -0.047 0.000 0.829 101 A HN 0.452 nan 8.150 nan 0.000 0.442 102 A N -0.644 122.104 122.820 -0.120 0.000 1.948 102 A HA 0.015 4.336 4.320 0.001 0.000 0.220 102 A C 2.326 179.842 177.584 -0.114 0.000 1.177 102 A CA 2.179 54.158 52.037 -0.097 0.000 0.636 102 A CB -1.256 17.700 19.000 -0.074 0.000 0.815 102 A HN 0.781 nan 8.150 nan 0.000 0.449 103 G N -1.079 107.618 108.800 -0.172 0.000 2.453 103 G HA2 0.082 4.043 3.960 0.001 0.000 0.215 103 G HA3 0.082 4.043 3.960 0.001 0.000 0.215 103 G C 1.445 176.230 174.900 -0.193 0.000 1.147 103 G CA 0.874 45.891 45.100 -0.139 0.000 0.802 103 G HN 0.464 nan 8.290 nan 0.000 0.535 104 L N 0.416 121.413 121.223 -0.377 0.000 2.131 104 L HA 0.484 4.824 4.340 0.001 0.000 0.206 104 L C 1.415 178.165 176.870 -0.201 0.000 1.087 104 L CA 1.724 56.339 54.840 -0.376 0.000 0.767 104 L CB 0.147 41.887 42.059 -0.532 0.000 0.917 104 L HN 0.148 nan 8.230 nan 0.000 0.441 105 A N 0.177 122.906 122.820 -0.152 0.000 3.300 105 A HA 0.479 4.800 4.320 0.001 0.000 0.300 105 A C -2.647 174.896 177.584 -0.067 0.000 1.099 105 A CA -0.961 51.021 52.037 -0.092 0.000 0.846 105 A CB -0.403 18.552 19.000 -0.076 0.000 1.255 105 A HN 0.096 nan 8.150 nan 0.000 0.519 106 P HA 0.105 nan 4.420 nan 0.000 0.266 106 P C -0.346 176.936 177.300 -0.030 0.000 1.193 106 P CA 1.038 64.115 63.100 -0.037 0.000 0.770 106 P CB 0.612 32.301 31.700 -0.018 0.000 0.836 107 D N -2.087 118.297 120.400 -0.028 0.000 2.880 107 D HA -0.160 4.481 4.640 0.001 0.000 0.198 107 D C -0.160 176.127 176.300 -0.023 0.000 1.059 107 D CA 0.965 54.952 54.000 -0.022 0.000 1.019 107 D CB -2.260 38.530 40.800 -0.017 0.000 1.112 107 D HN 0.384 nan 8.370 nan 0.000 0.424 108 c N 1.090 119.674 118.600 -0.028 0.000 2.463 108 c HA 0.688 5.258 4.570 0.001 0.000 0.380 108 c C 1.389 175.464 174.090 -0.025 0.000 1.264 108 c CA -0.336 55.977 56.329 -0.025 0.000 2.161 108 c CB 0.992 43.485 42.510 -0.029 0.000 2.515 108 c HN 0.460 nan 8.230 nan 0.000 0.565 109 A N 4.194 127.003 122.820 -0.018 0.000 3.056 109 A HA 0.436 4.756 4.320 0.001 0.000 0.274 109 A C 0.092 177.666 177.584 -0.017 0.000 1.661 109 A CA 0.013 52.039 52.037 -0.019 0.000 1.363 109 A CB -0.681 18.310 19.000 -0.014 0.000 1.139 109 A HN 0.840 nan 8.150 nan 0.000 0.598 110 I N 2.746 123.304 120.570 -0.021 0.000 2.312 110 I HA 0.131 4.301 4.170 0.001 0.000 0.291 110 I C 1.081 177.172 176.117 -0.044 0.000 1.031 110 I CA -0.274 61.020 61.300 -0.011 0.000 1.293 110 I CB 1.250 39.251 38.000 0.002 0.000 1.403 110 I HN 0.593 nan 8.210 nan 0.000 0.484 111 T N 3.478 117.982 114.554 -0.084 0.000 2.860 111 T HA 0.364 4.715 4.350 0.001 0.000 0.299 111 T C -0.100 174.424 174.700 -0.294 0.000 1.045 111 T CA -0.676 61.300 62.100 -0.206 0.000 1.071 111 T CB 1.509 70.193 68.868 -0.308 0.000 0.985 111 T HN 0.223 nan 8.240 nan 0.000 0.537 112 V N 3.843 123.600 119.914 -0.263 0.000 2.328 112 V HA 0.283 4.403 4.120 0.001 0.000 0.278 112 V C 0.205 176.180 176.094 -0.199 0.000 1.021 112 V CA -0.888 61.320 62.300 -0.154 0.000 0.838 112 V CB 0.365 32.159 31.823 -0.048 0.000 0.999 112 V HN 0.885 nan 8.190 nan 0.000 0.447 113 H N 3.360 122.476 119.070 0.078 0.000 2.548 113 H HA 0.596 5.153 4.556 0.001 0.000 0.331 113 H C 0.367 175.805 175.328 0.183 0.000 1.093 113 H CA -0.040 56.087 56.048 0.131 0.000 1.367 113 H CB 1.990 31.844 29.762 0.154 0.000 1.455 113 H HN 0.748 nan 8.280 nan 0.000 0.519 114 T N -0.681 114.091 114.554 0.363 0.000 2.804 114 T HA 0.201 4.551 4.350 0.001 0.000 0.290 114 T C -0.204 174.725 174.700 0.382 0.000 1.099 114 T CA -1.199 61.126 62.100 0.375 0.000 1.011 114 T CB 2.144 71.117 68.868 0.176 0.000 1.291 114 T HN 0.602 nan 8.240 nan 0.000 0.523 115 Q N 0.257 120.242 119.800 0.309 0.000 2.337 115 Q HA 0.212 4.552 4.340 0.001 0.000 0.270 115 Q C 0.766 176.804 176.000 0.063 0.000 1.002 115 Q CA 0.155 56.011 55.803 0.089 0.000 0.888 115 Q CB 0.462 29.261 28.738 0.102 0.000 1.222 115 Q HN 0.769 nan 8.270 nan 0.000 0.400 116 T N 2.283 116.844 114.554 0.011 0.000 2.720 116 T HA -0.160 4.191 4.350 0.001 0.000 0.268 116 T C 0.265 174.977 174.700 0.021 0.000 1.037 116 T CA 1.489 63.601 62.100 0.020 0.000 1.144 116 T CB -0.111 68.757 68.868 -0.001 0.000 0.864 116 T HN 0.645 nan 8.240 nan 0.000 0.444 117 D N 1.292 121.701 120.400 0.015 0.000 2.393 117 D HA 0.141 4.781 4.640 0.001 0.000 0.232 117 D C 0.594 176.911 176.300 0.028 0.000 1.192 117 D CA 0.088 54.098 54.000 0.017 0.000 0.882 117 D CB 0.922 41.729 40.800 0.011 0.000 1.038 117 D HN 0.013 nan 8.370 nan 0.000 0.499 118 T N 1.168 115.738 114.554 0.026 0.000 3.088 118 T HA -0.088 4.263 4.350 0.001 0.000 0.259 118 T C 1.706 176.419 174.700 0.021 0.000 1.122 118 T CA 1.028 63.143 62.100 0.025 0.000 1.095 118 T CB 0.129 69.006 68.868 0.015 0.000 0.930 118 T HN 0.473 nan 8.240 nan 0.000 0.508 119 S N -0.026 115.687 115.700 0.021 0.000 2.593 119 S HA 0.232 4.703 4.470 0.001 0.000 0.217 119 S C 0.810 175.423 174.600 0.022 0.000 0.966 119 S CA -0.481 57.731 58.200 0.021 0.000 0.914 119 S CB 0.122 63.334 63.200 0.019 0.000 0.776 119 S HN 0.205 nan 8.310 nan 0.000 0.523 120 S N 1.716 117.431 115.700 0.025 0.000 2.566 120 S HA 0.704 5.175 4.470 0.001 0.000 0.298 120 S C -3.097 171.527 174.600 0.040 0.000 1.083 120 S CA -1.714 56.502 58.200 0.027 0.000 0.978 120 S CB 1.077 64.291 63.200 0.023 0.000 1.073 120 S HN 0.062 nan 8.310 nan 0.000 0.491 121 P HA 0.185 nan 4.420 nan 0.000 0.269 121 P C -1.287 176.071 177.300 0.096 0.000 1.215 121 P CA -0.088 63.051 63.100 0.065 0.000 0.780 121 P CB 0.308 32.040 31.700 0.053 0.000 0.898 122 D N 2.577 123.073 120.400 0.161 0.000 2.373 122 D HA 0.133 4.773 4.640 0.001 0.000 0.227 122 D C -1.441 174.998 176.300 0.231 0.000 1.091 122 D CA -2.560 51.576 54.000 0.228 0.000 0.840 122 D CB 0.735 41.770 40.800 0.392 0.000 1.060 122 D HN 0.136 nan 8.370 nan 0.000 0.502 123 P HA -0.186 nan 4.420 nan 0.000 0.220 123 P C 1.679 179.026 177.300 0.079 0.000 1.144 123 P CA 0.368 63.523 63.100 0.092 0.000 0.800 123 P CB 0.436 32.162 31.700 0.044 0.000 0.772 124 L N -0.859 120.415 121.223 0.085 0.000 2.079 124 L HA -0.082 4.259 4.340 0.001 0.000 0.210 124 L C 1.938 178.658 176.870 -0.250 0.000 1.081 124 L CA 1.886 56.664 54.840 -0.105 0.000 0.752 124 L CB -1.217 40.742 42.059 -0.167 0.000 0.896 124 L HN -0.214 nan 8.230 nan 0.000 0.433 125 F N -0.492 119.516 119.950 0.096 0.000 2.765 125 F HA 0.267 4.794 4.527 0.001 0.000 0.302 125 F C 0.531 176.380 175.800 0.081 0.000 1.111 125 F CA -0.115 57.947 58.000 0.103 0.000 1.359 125 F CB -0.072 39.026 39.000 0.162 0.000 1.097 125 F HN 0.237 nan 8.300 nan 0.000 0.577 126 N N -0.265 118.534 118.700 0.165 0.000 4.308 126 N HA 0.009 4.749 4.740 0.001 0.000 0.168 126 N C -2.478 173.067 175.510 0.058 0.000 1.348 126 N CA -0.712 52.395 53.050 0.094 0.000 0.882 126 N CB 0.697 39.238 38.487 0.091 0.000 1.713 126 N HN -0.246 nan 8.380 nan 0.000 0.818 127 P HA -0.025 nan 4.420 nan 0.000 0.229 127 P C 1.352 178.656 177.300 0.007 0.000 1.160 127 P CA 0.417 63.525 63.100 0.014 0.000 0.777 127 P CB 0.757 32.455 31.700 -0.003 0.000 0.814 128 L N 0.327 121.553 121.223 0.005 0.000 1.993 128 L HA -0.084 4.256 4.340 0.001 0.000 0.206 128 L C 2.891 179.761 176.870 -0.001 0.000 1.074 128 L CA 1.586 56.424 54.840 -0.004 0.000 0.746 128 L CB -1.117 40.935 42.059 -0.012 0.000 0.896 128 L HN -0.095 nan 8.230 nan 0.000 0.435 129 K N 0.083 120.486 120.400 0.004 0.000 2.173 129 K HA -0.202 4.119 4.320 0.001 0.000 0.207 129 K C 1.432 178.037 176.600 0.009 0.000 1.046 129 K CA 1.884 58.174 56.287 0.005 0.000 0.929 129 K CB -0.084 32.422 32.500 0.010 0.000 0.720 129 K HN 0.469 nan 8.250 nan 0.000 0.453 130 T N -3.260 111.303 114.554 0.015 0.000 3.223 130 T HA 0.268 4.618 4.350 0.001 0.000 0.259 130 T C 0.954 175.658 174.700 0.006 0.000 1.015 130 T CA 0.101 62.209 62.100 0.014 0.000 0.908 130 T CB 0.511 69.394 68.868 0.024 0.000 1.054 130 T HN 0.338 nan 8.240 nan 0.000 0.567 131 G N 0.869 109.670 108.800 0.002 0.000 2.187 131 G HA2 -0.313 3.647 3.960 0.001 0.000 0.261 131 G HA3 -0.313 3.647 3.960 0.001 0.000 0.261 131 G C 0.886 175.783 174.900 -0.005 0.000 1.000 131 G CA 0.339 45.437 45.100 -0.003 0.000 0.718 131 G HN 0.546 nan 8.290 nan 0.000 0.519 132 V N -0.493 119.419 119.914 -0.003 0.000 2.490 132 V HA -0.011 4.110 4.120 0.001 0.000 0.250 132 V C 1.842 177.930 176.094 -0.011 0.000 1.061 132 V CA 1.868 64.164 62.300 -0.007 0.000 1.064 132 V CB -0.643 31.177 31.823 -0.005 0.000 0.670 132 V HN 1.508 nan 8.190 nan 0.000 0.461 133 c N -2.613 115.980 118.600 -0.012 0.000 3.306 133 c HA 0.731 5.301 4.570 0.001 0.000 0.335 133 c C -0.960 173.120 174.090 -0.016 0.000 1.382 133 c CA -1.157 55.163 56.329 -0.015 0.000 1.254 133 c CB 1.482 43.981 42.510 -0.018 0.000 1.555 133 c HN 0.352 nan 8.230 nan 0.000 0.463 134 Q N 0.216 120.005 119.800 -0.019 0.000 2.445 134 Q HA 0.779 5.119 4.340 0.001 0.000 0.281 134 Q C -1.262 174.724 176.000 -0.024 0.000 1.101 134 Q CA -0.707 55.084 55.803 -0.020 0.000 0.833 134 Q CB 2.250 30.977 28.738 -0.019 0.000 1.416 134 Q HN 0.701 nan 8.270 nan 0.000 0.451 135 L N 0.887 122.094 121.223 -0.027 0.000 2.325 135 L HA 0.318 4.658 4.340 0.001 0.000 0.279 135 L C -0.327 176.525 176.870 -0.029 0.000 1.054 135 L CA -0.764 54.057 54.840 -0.031 0.000 0.804 135 L CB 1.015 43.052 42.059 -0.037 0.000 1.200 135 L HN 0.580 nan 8.230 nan 0.000 0.436 136 D N 2.321 122.703 120.400 -0.030 0.000 2.374 136 D HA -0.037 4.603 4.640 0.001 0.000 0.240 136 D C 0.891 177.173 176.300 -0.030 0.000 1.229 136 D CA 0.097 54.080 54.000 -0.028 0.000 0.895 136 D CB 0.529 41.313 40.800 -0.027 0.000 1.046 136 D HN 0.471 nan 8.370 nan 0.000 0.498 137 N N 4.125 122.808 118.700 -0.027 0.000 2.011 137 N HA -0.302 4.439 4.740 0.001 0.000 0.199 137 N C 1.468 176.961 175.510 -0.029 0.000 1.047 137 N CA 2.118 55.151 53.050 -0.029 0.000 0.863 137 N CB -0.200 38.272 38.487 -0.024 0.000 1.056 137 N HN 0.507 nan 8.380 nan 0.000 0.427 138 A N 0.973 123.778 122.820 -0.025 0.000 1.883 138 A HA -0.207 4.114 4.320 0.001 0.000 0.217 138 A C 2.201 179.769 177.584 -0.027 0.000 1.186 138 A CA 1.884 53.907 52.037 -0.023 0.000 0.624 138 A CB -1.189 17.800 19.000 -0.019 0.000 0.822 138 A HN 0.712 nan 8.150 nan 0.000 0.444 139 N N -0.476 118.207 118.700 -0.028 0.000 2.166 139 N HA -0.130 4.611 4.740 0.001 0.000 0.186 139 N C 1.580 177.067 175.510 -0.040 0.000 1.019 139 N CA 1.431 54.462 53.050 -0.031 0.000 0.856 139 N CB -0.065 38.403 38.487 -0.030 0.000 0.993 139 N HN 0.249 nan 8.380 nan 0.000 0.426 140 V N 0.439 120.327 119.914 -0.043 0.000 2.453 140 V HA -0.141 3.980 4.120 0.001 0.000 0.247 140 V C 2.168 178.227 176.094 -0.058 0.000 1.048 140 V CA 1.623 63.890 62.300 -0.055 0.000 1.049 140 V CB -0.621 31.168 31.823 -0.055 0.000 0.672 140 V HN 0.401 nan 8.190 nan 0.000 0.457 141 T N -0.203 114.323 114.554 -0.047 0.000 2.746 141 T HA -0.221 4.129 4.350 0.001 0.000 0.267 141 T C 1.705 176.379 174.700 -0.043 0.000 1.039 141 T CA 1.954 64.027 62.100 -0.045 0.000 1.142 141 T CB -0.308 68.540 68.868 -0.034 0.000 0.866 141 T HN 0.620 nan 8.240 nan 0.000 0.444 142 D N 0.856 121.233 120.400 -0.037 0.000 2.183 142 D HA 0.077 4.717 4.640 0.001 0.000 0.203 142 D C 2.183 178.460 176.300 -0.039 0.000 0.969 142 D CA 0.942 54.923 54.000 -0.031 0.000 0.842 142 D CB -0.221 40.564 40.800 -0.024 0.000 0.957 142 D HN 0.319 nan 8.370 nan 0.000 0.484 143 A N 0.346 123.135 122.820 -0.051 0.000 1.873 143 A HA -0.080 4.240 4.320 0.001 0.000 0.215 143 A C 2.380 179.914 177.584 -0.083 0.000 1.186 143 A CA 1.132 53.131 52.037 -0.063 0.000 0.616 143 A CB -0.792 18.165 19.000 -0.072 0.000 0.823 143 A HN 0.354 nan 8.150 nan 0.000 0.442 144 I N -0.878 119.634 120.570 -0.097 0.000 2.179 144 I HA -0.216 3.955 4.170 0.001 0.000 0.242 144 I C 2.312 178.362 176.117 -0.111 0.000 1.088 144 I CA 0.908 62.131 61.300 -0.128 0.000 1.357 144 I CB -0.320 37.601 38.000 -0.131 0.000 1.051 144 I HN 0.224 nan 8.210 nan 0.000 0.409 145 L N 0.261 121.440 121.223 -0.074 0.000 2.093 145 L HA -0.177 4.163 4.340 0.001 0.000 0.208 145 L C 2.746 179.607 176.870 -0.016 0.000 1.085 145 L CA 1.623 56.435 54.840 -0.046 0.000 0.755 145 L CB -1.040 41.003 42.059 -0.027 0.000 0.904 145 L HN 0.161 nan 8.230 nan 0.000 0.435 146 S N -0.758 114.931 115.700 -0.018 0.000 2.370 146 S HA -0.184 4.287 4.470 0.001 0.000 0.226 146 S C 2.131 176.748 174.600 0.028 0.000 1.033 146 S CA 0.985 59.188 58.200 0.004 0.000 1.011 146 S CB -0.070 63.124 63.200 -0.009 0.000 0.852 146 S HN 0.388 nan 8.310 nan 0.000 0.457 147 R N 0.793 121.294 120.500 0.002 0.000 2.148 147 R HA 0.085 4.426 4.340 0.001 0.000 0.227 147 R C 2.056 178.460 176.300 0.174 0.000 1.103 147 R CA 1.041 57.180 56.100 0.064 0.000 0.983 147 R CB -0.640 29.602 30.300 -0.096 0.000 0.874 147 R HN 0.468 nan 8.270 nan 0.000 0.451 148 A N 0.473 123.330 122.820 0.062 0.000 2.278 148 A HA 0.279 4.600 4.320 0.001 0.000 0.212 148 A C 1.222 178.943 177.584 0.229 0.000 1.213 148 A CA 0.597 52.702 52.037 0.113 0.000 0.840 148 A CB -0.152 18.795 19.000 -0.089 0.000 0.866 148 A HN 0.409 nan 8.150 nan 0.000 0.489 149 G N -2.225 106.676 108.800 0.168 0.000 2.176 149 G HA2 0.119 4.079 3.960 0.001 0.000 0.252 149 G HA3 0.119 4.079 3.960 0.001 0.000 0.252 149 G C 1.460 176.426 174.900 0.111 0.000 1.024 149 G CA 0.882 46.067 45.100 0.143 0.000 0.755 149 G HN 2.086 nan 8.290 nan 0.000 0.507 150 G N -2.176 106.673 108.800 0.080 0.000 2.284 150 G HA2 0.210 4.171 3.960 0.001 0.000 0.230 150 G HA3 0.210 4.171 3.960 0.001 0.000 0.230 150 G C 0.606 175.537 174.900 0.053 0.000 1.021 150 G CA 1.291 46.425 45.100 0.057 0.000 0.619 150 G HN 2.716 nan 8.290 nan 0.000 0.510 151 S N -0.715 115.032 115.700 0.078 0.000 2.537 151 S HA 0.679 5.150 4.470 0.001 0.000 0.271 151 S C 0.779 175.446 174.600 0.111 0.000 1.148 151 S CA -0.307 57.935 58.200 0.070 0.000 0.868 151 S CB 1.258 64.496 63.200 0.064 0.000 1.115 151 S HN 0.390 nan 8.310 nan 0.000 0.461 152 I N 1.487 122.107 120.570 0.083 0.000 2.361 152 I HA -0.104 4.067 4.170 0.001 0.000 0.251 152 I C 2.805 179.038 176.117 0.193 0.000 1.133 152 I CA 1.889 63.267 61.300 0.129 0.000 1.413 152 I CB -2.129 35.913 38.000 0.069 0.000 1.073 152 I HN 0.905 nan 8.210 nan 0.000 0.424 153 A N 0.481 123.372 122.820 0.117 0.000 1.902 153 A HA -0.247 4.073 4.320 0.001 0.000 0.217 153 A C 2.220 179.867 177.584 0.106 0.000 1.181 153 A CA 1.994 54.083 52.037 0.085 0.000 0.623 153 A CB -0.617 18.409 19.000 0.044 0.000 0.818 153 A HN 0.396 nan 8.150 nan 0.000 0.443 154 D N -1.454 119.029 120.400 0.139 0.000 2.149 154 D HA -0.121 4.520 4.640 0.001 0.000 0.201 154 D C 1.698 178.149 176.300 0.250 0.000 0.972 154 D CA 0.951 55.043 54.000 0.153 0.000 0.835 154 D CB -0.215 40.687 40.800 0.170 0.000 0.966 154 D HN 0.329 nan 8.370 nan 0.000 0.476 155 F N 1.711 121.744 119.950 0.139 0.000 2.046 155 F HA -0.262 4.265 4.527 0.000 0.000 0.297 155 F C 2.616 178.533 175.800 0.195 0.000 1.123 155 F CA 2.800 60.899 58.000 0.165 0.000 1.199 155 F CB -0.927 38.159 39.000 0.143 0.000 0.972 155 F HN 0.026 nan 8.300 nan 0.000 0.474 156 T N -2.203 112.533 114.554 0.303 0.000 2.821 156 T HA -0.055 4.296 4.350 0.001 0.000 0.267 156 T C 2.326 177.108 174.700 0.136 0.000 1.046 156 T CA 1.029 63.286 62.100 0.262 0.000 1.139 156 T CB -1.637 67.319 68.868 0.147 0.000 0.871 156 T HN 0.339 nan 8.240 nan 0.000 0.454 157 G N 0.555 109.389 108.800 0.057 0.000 2.485 157 G HA2 -0.254 3.707 3.960 0.001 0.000 0.221 157 G HA3 -0.254 3.707 3.960 0.001 0.000 0.221 157 G C 1.523 176.354 174.900 -0.115 0.000 1.115 157 G CA 0.708 45.782 45.100 -0.044 0.000 0.751 157 G HN 0.587 nan 8.290 nan 0.000 0.567 158 H N -0.165 118.899 119.070 -0.010 0.000 2.548 158 H HA 0.200 4.756 4.556 0.001 0.000 0.265 158 H C 1.636 176.923 175.328 -0.069 0.000 0.969 158 H CA 0.429 56.447 56.048 -0.050 0.000 1.155 158 H CB 0.488 30.195 29.762 -0.091 0.000 1.394 158 H HN 0.351 nan 8.280 nan 0.000 0.570 159 R N 0.162 120.697 120.500 0.059 0.000 2.577 159 R HA 0.097 4.437 4.340 0.001 0.000 0.344 159 R C 1.266 177.668 176.300 0.170 0.000 1.037 159 R CA -0.163 55.953 56.100 0.027 0.000 1.102 159 R CB 0.715 30.942 30.300 -0.120 0.000 1.313 159 R HN 0.068 nan 8.270 nan 0.000 0.561 160 Q N 0.345 120.264 119.800 0.200 0.000 2.135 160 Q HA -0.128 4.212 4.340 0.001 0.000 0.204 160 Q C 1.499 177.590 176.000 0.152 0.000 0.981 160 Q CA 1.801 57.741 55.803 0.229 0.000 0.856 160 Q CB -0.189 28.605 28.738 0.093 0.000 0.902 160 Q HN 0.216 nan 8.270 nan 0.000 0.425 161 T N 1.298 115.895 114.554 0.072 0.000 2.665 161 T HA -0.187 4.163 4.350 0.001 0.000 0.268 161 T C 1.813 176.527 174.700 0.023 0.000 1.035 161 T CA 1.738 63.858 62.100 0.034 0.000 1.151 161 T CB -0.240 68.632 68.868 0.007 0.000 0.862 161 T HN 0.467 nan 8.240 nan 0.000 0.438 162 A N 0.572 123.383 122.820 -0.014 0.000 1.898 162 A HA 0.036 4.357 4.320 0.001 0.000 0.216 162 A C 1.976 179.515 177.584 -0.074 0.000 1.181 162 A CA 1.218 53.206 52.037 -0.083 0.000 0.620 162 A CB -0.956 17.934 19.000 -0.184 0.000 0.819 162 A HN 0.447 nan 8.150 nan 0.000 0.442 163 F N 0.033 119.986 119.950 0.005 0.000 2.161 163 F HA -0.121 4.406 4.527 0.000 0.000 0.300 163 F C 2.583 178.378 175.800 -0.008 0.000 1.089 163 F CA 1.615 59.614 58.000 -0.001 0.000 1.282 163 F CB -0.256 38.736 39.000 -0.013 0.000 1.010 163 F HN 0.122 nan 8.300 nan 0.000 0.485 164 R N -0.295 120.314 120.500 0.182 0.000 2.092 164 R HA -0.161 4.179 4.340 0.001 0.000 0.231 164 R C 2.094 178.435 176.300 0.069 0.000 1.119 164 R CA 1.352 57.518 56.100 0.110 0.000 0.970 164 R CB -0.350 29.997 30.300 0.079 0.000 0.864 164 R HN 0.188 nan 8.270 nan 0.000 0.440 165 E N 1.086 121.309 120.200 0.038 0.000 2.077 165 E HA -0.189 4.161 4.350 0.001 0.000 0.193 165 E C 1.769 178.369 176.600 0.000 0.000 0.989 165 E CA 0.896 57.294 56.400 -0.004 0.000 0.800 165 E CB -0.180 29.502 29.700 -0.031 0.000 0.746 165 E HN 0.119 nan 8.360 nan 0.000 0.452 166 L N 1.176 122.423 121.223 0.040 0.000 1.994 166 L HA -0.146 4.195 4.340 0.001 0.000 0.208 166 L C 1.890 178.831 176.870 0.118 0.000 1.071 166 L CA 2.100 56.998 54.840 0.097 0.000 0.745 166 L CB -0.714 41.437 42.059 0.154 0.000 0.892 166 L HN 0.172 nan 8.230 nan 0.000 0.431 167 E N -0.763 119.500 120.200 0.106 0.000 2.171 167 E HA -0.271 4.080 4.350 0.001 0.000 0.197 167 E C 2.288 178.977 176.600 0.148 0.000 0.997 167 E CA 1.030 57.514 56.400 0.140 0.000 0.810 167 E CB -0.228 29.564 29.700 0.153 0.000 0.738 167 E HN 0.355 nan 8.360 nan 0.000 0.467 168 R N 0.849 121.396 120.500 0.078 0.000 2.066 168 R HA -0.111 4.230 4.340 0.001 0.000 0.232 168 R C 2.235 178.538 176.300 0.006 0.000 1.131 168 R CA 1.067 57.186 56.100 0.032 0.000 0.955 168 R CB -0.430 29.869 30.300 -0.002 0.000 0.851 168 R HN 0.104 nan 8.270 nan 0.000 0.432 169 V N 1.529 121.432 119.914 -0.018 0.000 2.407 169 V HA -0.220 3.900 4.120 0.001 0.000 0.248 169 V C 2.296 178.445 176.094 0.092 0.000 1.055 169 V CA 1.472 63.741 62.300 -0.051 0.000 1.049 169 V CB -0.335 31.310 31.823 -0.296 0.000 0.662 169 V HN 0.281 nan 8.190 nan 0.000 0.455 170 L N -0.092 121.220 121.223 0.148 0.000 2.492 170 L HA 0.145 4.485 4.340 0.001 0.000 0.223 170 L C 1.220 178.055 176.870 -0.058 0.000 1.132 170 L CA 0.634 55.543 54.840 0.114 0.000 0.850 170 L CB -0.639 41.594 42.059 0.291 0.000 0.966 170 L HN 0.550 nan 8.230 nan 0.000 0.454 171 N N -0.552 118.144 118.700 -0.007 0.000 2.740 171 N HA -0.314 4.426 4.740 0.001 0.000 0.248 171 N C 0.708 176.233 175.510 0.026 0.000 1.062 171 N CA 0.266 53.294 53.050 -0.036 0.000 0.704 171 N CB -1.439 36.958 38.487 -0.150 0.000 0.968 171 N HN 0.288 nan 8.380 nan 0.000 0.547 172 F N 1.439 121.372 119.950 -0.029 0.000 2.154 172 F HA -0.058 4.469 4.527 0.001 0.000 0.301 172 F C -0.558 175.237 175.800 -0.008 0.000 1.087 172 F CA 2.005 60.008 58.000 0.005 0.000 1.274 172 F CB -0.853 38.178 39.000 0.053 0.000 1.009 172 F HN 0.307 nan 8.300 nan 0.000 0.485 173 P HA -0.212 nan 4.420 nan 0.000 0.216 173 P C 0.504 177.668 177.300 -0.228 0.000 1.150 173 P CA 1.529 64.505 63.100 -0.208 0.000 0.837 173 P CB -0.144 31.514 31.700 -0.069 0.000 0.786 174 Q N 0.417 120.114 119.800 -0.172 0.000 2.286 174 Q HA 0.171 4.511 4.340 0.001 0.000 0.281 174 Q C 0.621 176.525 176.000 -0.159 0.000 0.897 174 Q CA -0.105 55.608 55.803 -0.150 0.000 1.023 174 Q CB 0.009 28.677 28.738 -0.117 0.000 1.151 174 Q HN 0.307 nan 8.270 nan 0.000 0.445 175 S N -1.315 114.253 115.700 -0.219 0.000 2.687 175 S HA 0.303 4.773 4.470 0.001 0.000 0.283 175 S C 1.015 175.532 174.600 -0.137 0.000 1.170 175 S CA -0.645 57.462 58.200 -0.155 0.000 1.008 175 S CB 1.618 64.743 63.200 -0.125 0.000 1.026 175 S HN 0.193 nan 8.310 nan 0.000 0.541 176 N N -0.119 118.547 118.700 -0.057 0.000 2.188 176 N HA -0.106 4.634 4.740 0.001 0.000 0.184 176 N C 1.609 177.096 175.510 -0.038 0.000 1.018 176 N CA 1.221 54.250 53.050 -0.035 0.000 0.858 176 N CB -0.584 37.907 38.487 0.007 0.000 0.989 176 N HN 0.676 nan 8.380 nan 0.000 0.426 177 L N 0.897 122.114 121.223 -0.011 0.000 2.046 177 L HA -0.123 4.217 4.340 0.001 0.000 0.208 177 L C 2.830 179.650 176.870 -0.083 0.000 1.077 177 L CA 1.566 56.418 54.840 0.019 0.000 0.747 177 L CB -0.956 41.202 42.059 0.165 0.000 0.896 177 L HN 0.280 nan 8.230 nan 0.000 0.432 178 c N -0.938 117.493 118.600 -0.281 0.000 2.486 178 c HA -0.032 4.538 4.570 0.001 0.000 0.279 178 c C 2.638 176.609 174.090 -0.197 0.000 1.302 178 c CA 0.521 56.630 56.329 -0.367 0.000 1.720 178 c CB -1.051 41.019 42.510 -0.734 0.000 2.030 178 c HN 0.598 nan 8.230 nan 0.000 0.490 179 L N 0.544 121.669 121.223 -0.163 0.000 2.046 179 L HA -0.064 4.277 4.340 0.001 0.000 0.208 179 L C 2.299 179.129 176.870 -0.067 0.000 1.077 179 L CA 1.312 56.089 54.840 -0.104 0.000 0.747 179 L CB -0.693 41.314 42.059 -0.087 0.000 0.896 179 L HN 0.182 nan 8.230 nan 0.000 0.432 180 K N 0.853 121.222 120.400 -0.052 0.000 2.504 180 K HA 0.051 4.371 4.320 0.001 0.000 0.199 180 K C 0.259 176.846 176.600 -0.022 0.000 1.028 180 K CA -0.071 56.199 56.287 -0.028 0.000 1.164 180 K CB -0.334 32.158 32.500 -0.014 0.000 0.877 180 K HN 0.156 nan 8.250 nan 0.000 0.508 181 R N 1.497 121.975 120.500 -0.036 0.000 2.480 181 R HA -0.068 4.272 4.340 0.001 0.000 0.303 181 R C 0.612 176.904 176.300 -0.013 0.000 0.985 181 R CA 0.499 56.585 56.100 -0.023 0.000 1.051 181 R CB 0.311 30.588 30.300 -0.038 0.000 0.935 181 R HN 0.175 nan 8.270 nan 0.000 0.410 182 E N 3.101 123.300 120.200 -0.003 0.000 2.358 182 E HA -0.127 4.223 4.350 0.001 0.000 0.195 182 E C -0.005 176.594 176.600 -0.002 0.000 1.010 182 E CA 0.877 57.276 56.400 -0.001 0.000 0.856 182 E CB 0.263 29.965 29.700 0.004 0.000 0.795 182 E HN 0.437 nan 8.360 nan 0.000 0.504 183 K N 0.202 120.601 120.400 -0.001 0.000 3.174 183 K HA 0.174 4.494 4.320 0.001 0.000 0.207 183 K C 0.235 176.833 176.600 -0.004 0.000 1.190 183 K CA -0.102 56.185 56.287 -0.000 0.000 1.054 183 K CB 0.196 32.699 32.500 0.005 0.000 1.154 183 K HN -0.162 nan 8.250 nan 0.000 0.495 184 Q N 0.514 120.307 119.800 -0.011 0.000 2.576 184 Q HA -0.128 4.213 4.340 0.001 0.000 0.219 184 Q C 0.377 176.370 176.000 -0.013 0.000 0.976 184 Q CA 0.586 56.379 55.803 -0.016 0.000 0.977 184 Q CB 0.053 28.777 28.738 -0.023 0.000 0.988 184 Q HN 0.524 nan 8.270 nan 0.000 0.555 185 D N 0.837 121.232 120.400 -0.007 0.000 2.271 185 D HA -0.041 4.599 4.640 0.001 0.000 0.206 185 D C -0.097 176.201 176.300 -0.003 0.000 0.967 185 D CA 0.625 54.622 54.000 -0.006 0.000 0.867 185 D CB 0.525 41.323 40.800 -0.004 0.000 0.960 185 D HN 0.275 nan 8.370 nan 0.000 0.509 186 E N -0.279 119.921 120.200 -0.001 0.000 2.232 186 E HA 0.351 4.701 4.350 0.001 0.000 0.265 186 E C -0.493 176.110 176.600 0.005 0.000 1.001 186 E CA -0.695 55.707 56.400 0.003 0.000 0.870 186 E CB 1.632 31.337 29.700 0.007 0.000 1.175 186 E HN -0.136 nan 8.360 nan 0.000 0.407 187 S N 0.120 115.827 115.700 0.011 0.000 2.593 187 S HA 0.091 4.561 4.470 0.001 0.000 0.269 187 S C -0.094 174.528 174.600 0.036 0.000 1.334 187 S CA -0.730 57.480 58.200 0.016 0.000 1.015 187 S CB 0.349 63.561 63.200 0.021 0.000 0.912 187 S HN 0.566 nan 8.310 nan 0.000 0.541 188 c N 3.385 122.009 118.600 0.040 0.000 2.632 188 c HA 0.645 5.216 4.570 0.001 0.000 0.415 188 c C 0.528 174.771 174.090 0.256 0.000 1.332 188 c CA -0.243 56.144 56.329 0.097 0.000 1.874 188 c CB -0.688 41.785 42.510 -0.062 0.000 2.596 188 c HN 0.824 nan 8.230 nan 0.000 0.590 189 S N 4.041 119.951 115.700 0.350 0.000 2.562 189 S HA 0.365 4.835 4.470 0.001 0.000 0.274 189 S C 0.199 174.855 174.600 0.093 0.000 1.160 189 S CA -0.791 57.546 58.200 0.227 0.000 0.933 189 S CB 0.516 63.755 63.200 0.066 0.000 1.100 189 S HN 0.606 nan 8.310 nan 0.000 0.468 190 L N 2.641 123.728 121.223 -0.228 0.000 1.990 190 L HA -0.137 4.203 4.340 0.001 0.000 0.213 190 L C 3.125 179.849 176.870 -0.243 0.000 1.072 190 L CA 2.286 56.911 54.840 -0.357 0.000 0.755 190 L CB -1.067 40.752 42.059 -0.400 0.000 0.889 190 L HN 1.016 nan 8.230 nan 0.000 0.432 191 T N -3.649 110.676 114.554 -0.382 0.000 2.881 191 T HA -0.269 4.081 4.350 0.001 0.000 0.270 191 T C 1.704 176.302 174.700 -0.170 0.000 1.068 191 T CA 1.496 63.361 62.100 -0.391 0.000 1.131 191 T CB -0.134 68.407 68.868 -0.546 0.000 0.871 191 T HN 0.217 nan 8.240 nan 0.000 0.479 192 Q N 1.067 120.810 119.800 -0.095 0.000 2.165 192 Q HA 0.418 4.759 4.340 0.001 0.000 0.197 192 Q C 2.482 178.486 176.000 0.007 0.000 0.952 192 Q CA 1.213 56.998 55.803 -0.030 0.000 0.848 192 Q CB -0.696 28.042 28.738 -0.000 0.000 0.931 192 Q HN 0.605 nan 8.270 nan 0.000 0.470 193 A N -0.152 122.696 122.820 0.046 0.000 1.930 193 A HA 0.047 4.367 4.320 0.001 0.000 0.217 193 A C 0.510 178.126 177.584 0.052 0.000 1.175 193 A CA 0.807 52.894 52.037 0.083 0.000 0.627 193 A CB -0.122 18.993 19.000 0.192 0.000 0.815 193 A HN 0.335 nan 8.150 nan 0.000 0.443 194 L N 1.507 122.742 121.223 0.019 0.000 2.408 194 L HA 0.304 4.645 4.340 0.001 0.000 0.257 194 L C -2.626 174.237 176.870 -0.012 0.000 1.053 194 L CA -2.004 52.844 54.840 0.013 0.000 0.922 194 L CB 1.621 43.693 42.059 0.021 0.000 1.261 194 L HN 0.073 nan 8.230 nan 0.000 0.458 195 P HA 0.072 nan 4.420 nan 0.000 0.271 195 P C -0.446 176.857 177.300 0.005 0.000 1.216 195 P CA -0.100 62.995 63.100 -0.009 0.000 0.771 195 P CB 1.314 33.013 31.700 -0.001 0.000 0.864 196 S N 2.766 118.473 115.700 0.011 0.000 2.430 196 S HA 0.198 4.668 4.470 0.001 0.000 0.289 196 S C 0.071 174.686 174.600 0.025 0.000 1.143 196 S CA -0.483 57.736 58.200 0.032 0.000 1.067 196 S CB 0.298 63.538 63.200 0.067 0.000 0.964 196 S HN 0.385 nan 8.310 nan 0.000 0.485 197 E N 1.675 121.884 120.200 0.016 0.000 2.204 197 E HA 0.346 4.696 4.350 0.001 0.000 0.276 197 E C -0.895 175.702 176.600 -0.004 0.000 0.974 197 E CA -0.931 55.472 56.400 0.006 0.000 0.815 197 E CB 1.517 31.219 29.700 0.004 0.000 1.119 197 E HN 0.298 nan 8.360 nan 0.000 0.393 198 L N 3.332 124.546 121.223 -0.014 0.000 2.281 198 L HA 0.209 4.549 4.340 0.001 0.000 0.285 198 L C -0.957 175.897 176.870 -0.027 0.000 1.074 198 L CA -0.128 54.694 54.840 -0.030 0.000 0.817 198 L CB 0.238 42.272 42.059 -0.042 0.000 1.168 198 L HN 0.262 nan 8.230 nan 0.000 0.434 199 K N 5.420 125.802 120.400 -0.031 0.000 2.394 199 K HA 0.529 4.849 4.320 0.001 0.000 0.260 199 K C -1.341 175.237 176.600 -0.036 0.000 0.967 199 K CA -0.536 55.735 56.287 -0.028 0.000 0.855 199 K CB 2.018 34.505 32.500 -0.022 0.000 1.101 199 K HN 0.371 nan 8.250 nan 0.000 0.433 200 V N 2.236 122.130 119.914 -0.034 0.000 2.448 200 V HA 0.423 4.544 4.120 0.001 0.000 0.295 200 V C 0.180 176.255 176.094 -0.031 0.000 1.025 200 V CA -0.568 61.709 62.300 -0.038 0.000 0.859 200 V CB 1.585 33.383 31.823 -0.040 0.000 0.988 200 V HN 0.945 nan 8.190 nan 0.000 0.431 201 S N 3.755 119.437 115.700 -0.031 0.000 2.810 201 S HA 0.811 5.282 4.470 0.001 0.000 0.315 201 S C 0.999 175.583 174.600 -0.027 0.000 1.138 201 S CA -0.011 58.174 58.200 -0.026 0.000 0.889 201 S CB 1.866 65.052 63.200 -0.023 0.000 1.236 201 S HN 0.912 nan 8.310 nan 0.000 0.548 202 A N 0.580 123.386 122.820 -0.023 0.000 1.968 202 A HA 0.036 4.356 4.320 0.001 0.000 0.217 202 A C 1.400 178.970 177.584 -0.023 0.000 1.169 202 A CA 1.658 53.682 52.037 -0.022 0.000 0.638 202 A CB -0.919 18.070 19.000 -0.018 0.000 0.812 202 A HN 0.904 nan 8.150 nan 0.000 0.446 203 D N -2.391 117.996 120.400 -0.022 0.000 2.433 203 D HA 0.202 4.843 4.640 0.001 0.000 0.211 203 D C 0.028 176.312 176.300 -0.027 0.000 1.114 203 D CA -0.085 53.902 54.000 -0.021 0.000 0.837 203 D CB -0.255 40.536 40.800 -0.015 0.000 0.984 203 D HN 0.292 nan 8.370 nan 0.000 0.505 204 N N -0.814 117.867 118.700 -0.033 0.000 2.710 204 N HA 0.447 5.187 4.740 0.001 0.000 0.257 204 N C -2.230 173.251 175.510 -0.049 0.000 1.327 204 N CA -0.686 52.340 53.050 -0.041 0.000 0.861 204 N CB 2.139 40.604 38.487 -0.036 0.000 1.532 204 N HN -0.182 nan 8.380 nan 0.000 0.499 205 V N 1.237 121.114 119.914 -0.063 0.000 2.623 205 V HA 0.786 4.906 4.120 0.001 0.000 0.304 205 V C -0.693 175.355 176.094 -0.076 0.000 1.054 205 V CA -0.613 61.644 62.300 -0.071 0.000 0.882 205 V CB 1.331 33.101 31.823 -0.088 0.000 1.002 205 V HN 0.868 nan 8.190 nan 0.000 0.424 206 S N 4.610 120.273 115.700 -0.062 0.000 2.618 206 S HA 0.880 5.351 4.470 0.001 0.000 0.277 206 S C -1.549 173.027 174.600 -0.041 0.000 1.138 206 S CA -0.837 57.331 58.200 -0.053 0.000 0.844 206 S CB 2.343 65.521 63.200 -0.036 0.000 1.127 206 S HN 0.470 nan 8.310 nan 0.000 0.474 207 L N 2.917 124.126 121.223 -0.024 0.000 2.427 207 L HA 0.501 4.841 4.340 0.001 0.000 0.264 207 L C 0.624 177.508 176.870 0.024 0.000 0.989 207 L CA 0.106 54.945 54.840 -0.002 0.000 0.865 207 L CB 1.027 43.088 42.059 0.003 0.000 1.209 207 L HN 1.166 nan 8.230 nan 0.000 0.430 208 T N 0.615 115.181 114.554 0.020 0.000 2.689 208 T HA 0.732 5.082 4.350 0.001 0.000 0.308 208 T C 0.801 175.528 174.700 0.045 0.000 1.021 208 T CA 0.321 62.438 62.100 0.029 0.000 0.973 208 T CB 0.984 69.864 68.868 0.019 0.000 1.113 208 T HN 1.346 nan 8.240 nan 0.000 0.522 209 G N 0.290 109.117 108.800 0.045 0.000 2.542 209 G HA2 0.105 4.066 3.960 0.001 0.000 0.235 209 G HA3 0.105 4.066 3.960 0.001 0.000 0.235 209 G C 0.939 175.883 174.900 0.072 0.000 1.286 209 G CA 0.498 45.627 45.100 0.047 0.000 0.904 209 G HN 1.654 nan 8.290 nan 0.000 0.577 210 A N -1.142 121.712 122.820 0.058 0.000 2.014 210 A HA 0.344 4.664 4.320 0.001 0.000 0.218 210 A C 2.691 180.458 177.584 0.304 0.000 1.163 210 A CA 2.770 54.874 52.037 0.113 0.000 0.652 210 A CB -0.396 18.554 19.000 -0.083 0.000 0.808 210 A HN 1.508 nan 8.150 nan 0.000 0.449 211 V N 0.937 121.020 119.914 0.282 0.000 2.295 211 V HA -0.250 3.870 4.120 0.001 0.000 0.246 211 V C 2.982 179.237 176.094 0.268 0.000 1.049 211 V CA 2.494 65.016 62.300 0.370 0.000 1.024 211 V CB -0.804 31.201 31.823 0.304 0.000 0.648 211 V HN 0.792 nan 8.190 nan 0.000 0.447 212 S N -0.154 115.656 115.700 0.184 0.000 2.436 212 S HA -0.070 4.400 4.470 0.001 0.000 0.228 212 S C 1.862 176.546 174.600 0.139 0.000 1.014 212 S CA 1.142 59.432 58.200 0.149 0.000 0.950 212 S CB -0.340 62.915 63.200 0.092 0.000 0.784 212 S HN 0.397 nan 8.310 nan 0.000 0.504 213 L N 2.195 123.499 121.223 0.135 0.000 2.072 213 L HA 0.296 4.637 4.340 0.001 0.000 0.205 213 L C 2.585 179.530 176.870 0.124 0.000 1.079 213 L CA 1.662 56.567 54.840 0.107 0.000 0.752 213 L CB -1.225 40.897 42.059 0.105 0.000 0.906 213 L HN 0.303 nan 8.230 nan 0.000 0.436 214 A N -1.259 121.675 122.820 0.190 0.000 1.898 214 A HA -0.210 4.110 4.320 0.001 0.000 0.216 214 A C 2.524 180.183 177.584 0.125 0.000 1.181 214 A CA 1.820 53.960 52.037 0.172 0.000 0.620 214 A CB -1.191 17.920 19.000 0.185 0.000 0.819 214 A HN 0.570 nan 8.150 nan 0.000 0.442 215 S N -0.941 114.868 115.700 0.183 0.000 2.370 215 S HA -0.223 4.248 4.470 0.001 0.000 0.226 215 S C 2.097 176.766 174.600 0.115 0.000 1.033 215 S CA 1.904 60.279 58.200 0.291 0.000 1.011 215 S CB -0.405 63.055 63.200 0.433 0.000 0.852 215 S HN 0.573 nan 8.310 nan 0.000 0.457 216 M N -0.248 119.390 119.600 0.064 0.000 2.156 216 M HA 0.004 4.484 4.480 0.001 0.000 0.264 216 M C 1.791 177.974 176.300 -0.195 0.000 1.067 216 M CA 1.153 56.416 55.300 -0.063 0.000 1.131 216 M CB -0.211 32.362 32.600 -0.043 0.000 1.368 216 M HN 0.383 nan 8.290 nan 0.000 0.416 217 L N 0.412 121.544 121.223 -0.152 0.000 2.027 217 L HA -0.149 4.191 4.340 0.001 0.000 0.206 217 L C 2.776 179.351 176.870 -0.492 0.000 1.074 217 L CA 2.352 57.017 54.840 -0.292 0.000 0.745 217 L CB -1.314 40.746 42.059 0.002 0.000 0.898 217 L HN 0.471 nan 8.230 nan 0.000 0.433 218 T N -3.525 110.970 114.554 -0.098 0.000 2.777 218 T HA -0.233 4.117 4.350 0.001 0.000 0.266 218 T C 1.747 176.449 174.700 0.004 0.000 1.040 218 T CA 1.264 63.450 62.100 0.144 0.000 1.141 218 T CB -0.447 68.527 68.868 0.177 0.000 0.868 218 T HN 0.425 nan 8.240 nan 0.000 0.444 219 E N 1.080 121.114 120.200 -0.276 0.000 2.085 219 E HA -0.128 4.222 4.350 0.001 0.000 0.194 219 E C 2.216 178.733 176.600 -0.137 0.000 0.994 219 E CA 1.242 57.429 56.400 -0.355 0.000 0.801 219 E CB -0.347 28.934 29.700 -0.698 0.000 0.743 219 E HN 0.643 nan 8.360 nan 0.000 0.453 220 I N 0.387 120.824 120.570 -0.221 0.000 2.208 220 I HA -0.279 3.892 4.170 0.001 0.000 0.245 220 I C 2.094 178.253 176.117 0.071 0.000 1.097 220 I CA 1.020 62.232 61.300 -0.147 0.000 1.363 220 I CB -0.411 37.397 38.000 -0.319 0.000 1.051 220 I HN 0.126 nan 8.210 nan 0.000 0.413 221 F N 0.432 120.505 119.950 0.206 0.000 2.161 221 F HA -0.236 4.292 4.527 0.000 0.000 0.300 221 F C 2.286 178.351 175.800 0.440 0.000 1.089 221 F CA 1.236 59.397 58.000 0.269 0.000 1.282 221 F CB -1.078 38.030 39.000 0.179 0.000 1.010 221 F HN 0.047 nan 8.300 nan 0.000 0.485 222 L N -0.505 121.023 121.223 0.508 0.000 2.027 222 L HA -0.150 4.190 4.340 0.001 0.000 0.206 222 L C 2.112 179.104 176.870 0.204 0.000 1.074 222 L CA 1.481 56.502 54.840 0.301 0.000 0.745 222 L CB -0.809 41.352 42.059 0.170 0.000 0.898 222 L HN -0.021 nan 8.230 nan 0.000 0.433 223 L N -0.342 121.016 121.223 0.226 0.000 2.042 223 L HA -0.238 4.103 4.340 0.001 0.000 0.210 223 L C 2.634 179.804 176.870 0.501 0.000 1.076 223 L CA 1.739 56.763 54.840 0.308 0.000 0.749 223 L CB -1.253 40.919 42.059 0.189 0.000 0.893 223 L HN 0.457 nan 8.230 nan 0.000 0.432 224 Q N -1.456 118.627 119.800 0.472 0.000 2.050 224 Q HA -0.290 4.050 4.340 0.001 0.000 0.202 224 Q C 2.200 178.286 176.000 0.144 0.000 0.980 224 Q CA 1.684 57.646 55.803 0.265 0.000 0.840 224 Q CB -0.229 28.659 28.738 0.249 0.000 0.898 224 Q HN 0.421 nan 8.270 nan 0.000 0.424 225 Q N 0.906 120.824 119.800 0.197 0.000 2.002 225 Q HA -0.182 4.158 4.340 0.001 0.000 0.204 225 Q C 1.954 177.956 176.000 0.003 0.000 0.988 225 Q CA 2.163 58.006 55.803 0.067 0.000 0.843 225 Q CB -0.589 28.048 28.738 -0.169 0.000 0.908 225 Q HN 0.377 nan 8.270 nan 0.000 0.420 226 A N -0.255 122.578 122.820 0.022 0.000 2.024 226 A HA -0.211 4.109 4.320 0.001 0.000 0.220 226 A C 1.977 179.606 177.584 0.075 0.000 1.164 226 A CA 1.795 53.855 52.037 0.039 0.000 0.643 226 A CB -0.624 18.421 19.000 0.073 0.000 0.806 226 A HN 0.516 nan 8.150 nan 0.000 0.451 227 Q N -1.034 118.826 119.800 0.099 0.000 2.425 227 Q HA 0.269 4.609 4.340 0.001 0.000 0.204 227 Q C 1.022 176.999 176.000 -0.038 0.000 0.933 227 Q CA 1.079 56.910 55.803 0.047 0.000 0.939 227 Q CB -0.316 28.406 28.738 -0.027 0.000 1.044 227 Q HN 0.983 nan 8.270 nan 0.000 0.513 228 G N 0.599 109.384 108.800 -0.025 0.000 2.147 228 G HA2 -0.287 3.673 3.960 0.001 0.000 0.244 228 G HA3 -0.287 3.673 3.960 0.001 0.000 0.244 228 G C -0.060 174.801 174.900 -0.064 0.000 1.005 228 G CA 0.392 45.473 45.100 -0.031 0.000 0.713 228 G HN 0.312 nan 8.290 nan 0.000 0.515 229 M N -0.145 119.392 119.600 -0.106 0.000 2.245 229 M HA 0.172 4.652 4.480 0.001 0.000 0.344 229 M C -0.229 176.037 176.300 -0.058 0.000 1.170 229 M CA -1.231 53.987 55.300 -0.137 0.000 1.135 229 M CB 0.211 32.676 32.600 -0.225 0.000 1.574 229 M HN -0.092 nan 8.290 nan 0.000 0.452 230 P HA -0.224 nan 4.420 nan 0.000 0.212 230 P C -0.655 176.648 177.300 0.006 0.000 1.128 230 P CA 1.644 64.733 63.100 -0.017 0.000 0.961 230 P CB 0.178 31.867 31.700 -0.019 0.000 0.782 231 E N -1.668 118.531 120.200 -0.002 0.000 2.675 231 E HA 0.281 4.632 4.350 0.001 0.000 0.236 231 E C -2.594 173.992 176.600 -0.024 0.000 1.059 231 E CA -2.061 54.347 56.400 0.013 0.000 0.775 231 E CB 1.001 30.716 29.700 0.024 0.000 1.356 231 E HN 0.162 nan 8.360 nan 0.000 0.403 232 P HA -0.064 nan 4.420 nan 0.000 0.261 232 P C 0.778 178.006 177.300 -0.119 0.000 1.173 232 P CA 0.977 64.114 63.100 0.062 0.000 0.760 232 P CB 0.503 32.406 31.700 0.337 0.000 0.783 233 G N 3.461 112.091 108.800 -0.284 0.000 2.221 233 G HA2 -0.229 3.731 3.960 0.001 0.000 0.265 233 G HA3 -0.229 3.731 3.960 0.001 0.000 0.265 233 G C 0.086 174.860 174.900 -0.209 0.000 1.041 233 G CA -0.088 44.666 45.100 -0.576 0.000 0.807 233 G HN 0.621 nan 8.290 nan 0.000 0.502 234 W N -2.025 119.246 121.300 -0.047 0.000 4.949 234 W HA -0.196 4.464 4.660 0.000 0.000 0.380 234 W C 1.428 177.902 176.519 -0.075 0.000 1.446 234 W CA 1.050 58.356 57.345 -0.065 0.000 0.869 234 W CB -2.065 27.334 29.460 -0.101 0.000 2.591 234 W HN 2.119 nan 8.180 nan 0.000 1.398 235 G N -0.328 108.503 108.800 0.051 0.000 2.233 235 G HA2 -0.389 3.572 3.960 0.001 0.000 0.270 235 G HA3 -0.389 3.572 3.960 0.001 0.000 0.270 235 G C 0.978 175.872 174.900 -0.010 0.000 1.011 235 G CA 0.983 46.097 45.100 0.023 0.000 0.762 235 G HN 0.392 nan 8.290 nan 0.000 0.511 236 R N -0.765 119.707 120.500 -0.046 0.000 2.334 236 R HA 0.430 4.770 4.340 0.001 0.000 0.216 236 R C 0.837 177.014 176.300 -0.206 0.000 0.905 236 R CA 0.116 56.160 56.100 -0.092 0.000 1.064 236 R CB 0.285 30.550 30.300 -0.058 0.000 1.046 236 R HN 0.497 nan 8.270 nan 0.000 0.508 237 I N 1.034 121.428 120.570 -0.294 0.000 2.371 237 I HA 0.144 4.315 4.170 0.001 0.000 0.282 237 I C 0.626 176.572 176.117 -0.285 0.000 1.031 237 I CA -0.221 60.785 61.300 -0.491 0.000 1.180 237 I CB 1.774 39.182 38.000 -0.986 0.000 1.336 237 I HN 0.058 nan 8.210 nan 0.000 0.467 238 T N -0.612 113.839 114.554 -0.172 0.000 3.054 238 T HA 0.228 4.579 4.350 0.001 0.000 0.255 238 T C -0.004 174.722 174.700 0.044 0.000 1.035 238 T CA -0.210 61.873 62.100 -0.030 0.000 0.941 238 T CB -0.220 68.636 68.868 -0.019 0.000 1.026 238 T HN 0.607 nan 8.240 nan 0.000 0.533 239 D N -0.875 119.550 120.400 0.041 0.000 2.615 239 D HA 0.413 5.053 4.640 0.001 0.000 0.267 239 D C 0.615 177.074 176.300 0.264 0.000 1.236 239 D CA -0.806 53.281 54.000 0.145 0.000 0.839 239 D CB 1.109 41.969 40.800 0.101 0.000 1.380 239 D HN -0.188 nan 8.370 nan 0.000 0.433 240 S N -1.101 114.756 115.700 0.263 0.000 2.370 240 S HA -0.191 4.280 4.470 0.001 0.000 0.226 240 S C 1.467 176.198 174.600 0.219 0.000 1.033 240 S CA 1.004 59.363 58.200 0.266 0.000 1.011 240 S CB -0.604 62.661 63.200 0.109 0.000 0.852 240 S HN 0.509 nan 8.310 nan 0.000 0.457 241 H N 1.500 120.638 119.070 0.113 0.000 2.421 241 H HA 0.009 4.565 4.556 0.000 0.000 0.298 241 H C 2.214 177.569 175.328 0.046 0.000 1.087 241 H CA 1.266 57.356 56.048 0.069 0.000 1.330 241 H CB -0.071 29.713 29.762 0.036 0.000 1.388 241 H HN 0.541 nan 8.280 nan 0.000 0.526 242 Q N -1.273 118.608 119.800 0.136 0.000 2.137 242 Q HA -0.148 4.192 4.340 0.001 0.000 0.198 242 Q C 2.227 178.204 176.000 -0.038 0.000 0.960 242 Q CA 0.888 56.674 55.803 -0.029 0.000 0.847 242 Q CB -0.107 28.519 28.738 -0.187 0.000 0.915 242 Q HN 0.477 nan 8.270 nan 0.000 0.448 243 W N 1.634 122.962 121.300 0.047 0.000 2.355 243 W HA -0.142 4.518 4.660 0.000 0.000 0.309 243 W C 2.029 178.577 176.519 0.049 0.000 1.206 243 W CA 0.579 57.952 57.345 0.045 0.000 1.284 243 W CB -0.125 29.360 29.460 0.042 0.000 1.145 243 W HN 0.171 nan 8.180 nan 0.000 0.502 244 N N -0.572 118.296 118.700 0.281 0.000 2.142 244 N HA -0.121 4.619 4.740 0.001 0.000 0.186 244 N C 1.533 177.118 175.510 0.126 0.000 1.023 244 N CA 2.077 55.228 53.050 0.169 0.000 0.852 244 N CB -1.077 37.473 38.487 0.105 0.000 0.998 244 N HN 0.083 nan 8.380 nan 0.000 0.424 245 T N 2.057 116.682 114.554 0.118 0.000 2.788 245 T HA 0.021 4.372 4.350 0.001 0.000 0.268 245 T C 2.176 176.890 174.700 0.024 0.000 1.044 245 T CA 0.591 62.725 62.100 0.056 0.000 1.139 245 T CB -0.123 68.767 68.868 0.037 0.000 0.867 245 T HN 0.116 nan 8.240 nan 0.000 0.454 246 L N 0.435 121.688 121.223 0.050 0.000 1.988 246 L HA -0.013 4.328 4.340 0.001 0.000 0.207 246 L C 2.396 179.332 176.870 0.109 0.000 1.071 246 L CA 0.801 55.680 54.840 0.064 0.000 0.744 246 L CB -0.504 41.597 42.059 0.069 0.000 0.893 246 L HN 0.205 nan 8.230 nan 0.000 0.433 247 L N 0.222 121.547 121.223 0.171 0.000 2.353 247 L HA -0.142 4.199 4.340 0.001 0.000 0.220 247 L C 2.867 179.814 176.870 0.128 0.000 1.133 247 L CA 1.820 56.768 54.840 0.180 0.000 0.798 247 L CB -1.332 40.850 42.059 0.206 0.000 0.922 247 L HN 0.456 nan 8.230 nan 0.000 0.445 248 S N -0.621 115.117 115.700 0.063 0.000 2.419 248 S HA -0.164 4.306 4.470 0.001 0.000 0.235 248 S C 1.893 176.490 174.600 -0.006 0.000 1.019 248 S CA 0.697 58.903 58.200 0.010 0.000 0.982 248 S CB -0.311 62.871 63.200 -0.030 0.000 0.789 248 S HN 0.286 nan 8.310 nan 0.000 0.490 249 L N 1.177 122.383 121.223 -0.029 0.000 2.141 249 L HA 0.006 4.347 4.340 0.001 0.000 0.209 249 L C 2.650 179.599 176.870 0.133 0.000 1.094 249 L CA 1.887 56.690 54.840 -0.061 0.000 0.763 249 L CB -2.008 39.932 42.059 -0.199 0.000 0.908 249 L HN 0.467 nan 8.230 nan 0.000 0.437 250 H N 1.041 120.135 119.070 0.041 0.000 2.299 250 H HA -0.071 4.486 4.556 0.001 0.000 0.302 250 H C 2.011 177.395 175.328 0.093 0.000 1.078 250 H CA 1.703 57.794 56.048 0.071 0.000 1.323 250 H CB 0.128 29.895 29.762 0.009 0.000 1.381 250 H HN 0.233 nan 8.280 nan 0.000 0.498 251 N N 0.470 119.191 118.700 0.035 0.000 2.223 251 N HA -0.114 4.626 4.740 0.001 0.000 0.185 251 N C 1.946 177.544 175.510 0.147 0.000 1.016 251 N CA 1.109 54.152 53.050 -0.013 0.000 0.863 251 N CB -0.504 37.971 38.487 -0.020 0.000 0.983 251 N HN 0.483 nan 8.380 nan 0.000 0.429 252 A N 1.202 124.132 122.820 0.183 0.000 1.877 252 A HA -0.188 4.133 4.320 0.001 0.000 0.216 252 A C 2.188 180.047 177.584 0.458 0.000 1.186 252 A CA 1.330 53.573 52.037 0.344 0.000 0.620 252 A CB -0.681 18.473 19.000 0.256 0.000 0.822 252 A HN 0.309 nan 8.150 nan 0.000 0.443 253 Q N -1.671 118.348 119.800 0.366 0.000 2.084 253 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 253 Q C 1.675 177.795 176.000 0.201 0.000 0.978 253 Q CA 1.682 57.655 55.803 0.283 0.000 0.844 253 Q CB -0.176 28.740 28.738 0.297 0.000 0.898 253 Q HN 0.633 nan 8.270 nan 0.000 0.426 254 F N -0.836 119.124 119.950 0.017 0.000 2.325 254 F HA -0.122 4.406 4.527 0.001 0.000 0.299 254 F C 2.048 177.853 175.800 0.008 0.000 1.090 254 F CA 0.756 58.739 58.000 -0.028 0.000 1.392 254 F CB -0.687 38.253 39.000 -0.099 0.000 1.053 254 F HN 0.219 nan 8.300 nan 0.000 0.521 255 Y N -0.244 120.131 120.300 0.125 0.000 2.224 255 Y HA -0.205 4.345 4.550 0.000 0.000 0.289 255 Y C 1.928 177.820 175.900 -0.014 0.000 1.146 255 Y CA 1.429 59.558 58.100 0.047 0.000 1.182 255 Y CB -0.268 38.252 38.460 0.099 0.000 0.983 255 Y HN -0.025 nan 8.280 nan 0.000 0.524 256 L N -0.292 120.919 121.223 -0.020 0.000 2.071 256 L HA -0.041 4.299 4.340 0.001 0.000 0.201 256 L C 2.174 178.914 176.870 -0.216 0.000 1.076 256 L CA 1.538 56.251 54.840 -0.212 0.000 0.755 256 L CB -1.042 40.870 42.059 -0.246 0.000 0.915 256 L HN 0.284 nan 8.230 nan 0.000 0.445 257 L N -1.443 119.671 121.223 -0.181 0.000 2.270 257 L HA -0.037 4.303 4.340 0.001 0.000 0.210 257 L C 1.972 178.710 176.870 -0.221 0.000 1.104 257 L CA 0.472 55.189 54.840 -0.205 0.000 0.804 257 L CB -0.244 41.679 42.059 -0.227 0.000 0.937 257 L HN 0.324 nan 8.230 nan 0.000 0.450 258 Q N -0.722 118.944 119.800 -0.224 0.000 2.316 258 Q HA 0.140 4.480 4.340 0.001 0.000 0.235 258 Q C 1.894 177.836 176.000 -0.096 0.000 0.863 258 Q CA 0.289 55.989 55.803 -0.171 0.000 0.939 258 Q CB 0.828 29.438 28.738 -0.213 0.000 1.108 258 Q HN 0.426 nan 8.270 nan 0.000 0.522 259 R N 0.293 120.719 120.500 -0.123 0.000 2.237 259 R HA 0.157 4.498 4.340 0.001 0.000 0.195 259 R C 0.243 176.432 176.300 -0.185 0.000 0.956 259 R CA 0.194 56.212 56.100 -0.136 0.000 1.029 259 R CB 0.315 30.520 30.300 -0.157 0.000 0.972 259 R HN -0.011 nan 8.270 nan 0.000 0.493 260 T N 3.452 117.866 114.554 -0.234 0.000 2.822 260 T HA -0.011 4.340 4.350 0.001 0.000 0.288 260 T C -1.871 172.747 174.700 -0.138 0.000 0.991 260 T CA -0.745 61.224 62.100 -0.218 0.000 1.176 260 T CB 0.991 69.732 68.868 -0.213 0.000 0.951 260 T HN -0.005 nan 8.240 nan 0.000 0.526 261 P HA -0.141 nan 4.420 nan 0.000 0.216 261 P C 1.230 178.489 177.300 -0.068 0.000 1.154 261 P CA 1.005 64.058 63.100 -0.077 0.000 0.865 261 P CB 0.166 31.827 31.700 -0.065 0.000 0.789 262 E N -1.494 118.662 120.200 -0.074 0.000 2.401 262 E HA -0.077 4.274 4.350 0.001 0.000 0.199 262 E C 1.612 178.173 176.600 -0.064 0.000 1.023 262 E CA 0.670 57.032 56.400 -0.064 0.000 0.859 262 E CB -0.488 29.174 29.700 -0.064 0.000 0.780 262 E HN 0.160 nan 8.360 nan 0.000 0.523 263 V N -0.713 119.156 119.914 -0.075 0.000 2.854 263 V HA 0.139 4.259 4.120 0.001 0.000 0.236 263 V C 2.010 178.069 176.094 -0.058 0.000 1.157 263 V CA 0.859 63.117 62.300 -0.071 0.000 1.187 263 V CB -0.487 31.281 31.823 -0.092 0.000 0.949 263 V HN 0.263 nan 8.190 nan 0.000 0.488 264 A N 0.887 123.671 122.820 -0.061 0.000 1.892 264 A HA -0.284 4.037 4.320 0.001 0.000 0.218 264 A C 2.288 179.856 177.584 -0.027 0.000 1.188 264 A CA 2.383 54.398 52.037 -0.038 0.000 0.631 264 A CB -0.573 18.404 19.000 -0.040 0.000 0.822 264 A HN 0.513 nan 8.150 nan 0.000 0.447 265 R N -0.403 120.076 120.500 -0.034 0.000 2.091 265 R HA -0.093 4.247 4.340 0.001 0.000 0.238 265 R C 2.527 178.807 176.300 -0.033 0.000 1.136 265 R CA 1.700 57.781 56.100 -0.033 0.000 0.959 265 R CB -0.397 29.880 30.300 -0.038 0.000 0.856 265 R HN 0.540 nan 8.270 nan 0.000 0.437 266 S N 0.294 115.974 115.700 -0.034 0.000 2.362 266 S HA -0.063 4.408 4.470 0.001 0.000 0.221 266 S C 1.848 176.433 174.600 -0.025 0.000 1.032 266 S CA 0.720 58.902 58.200 -0.031 0.000 0.973 266 S CB -0.106 63.075 63.200 -0.031 0.000 0.849 266 S HN 0.274 nan 8.310 nan 0.000 0.465 267 R N 0.966 121.453 120.500 -0.022 0.000 2.189 267 R HA 0.075 4.416 4.340 0.001 0.000 0.223 267 R C 1.846 178.144 176.300 -0.002 0.000 1.092 267 R CA 0.999 57.093 56.100 -0.009 0.000 0.989 267 R CB -0.174 30.120 30.300 -0.010 0.000 0.876 267 R HN 0.387 nan 8.270 nan 0.000 0.457 268 A N -0.966 121.850 122.820 -0.008 0.000 2.220 268 A HA 0.074 4.395 4.320 0.001 0.000 0.211 268 A C 1.753 179.317 177.584 -0.034 0.000 1.176 268 A CA 0.457 52.490 52.037 -0.007 0.000 0.834 268 A CB -0.013 18.995 19.000 0.014 0.000 0.868 268 A HN 0.257 nan 8.150 nan 0.000 0.488 269 T N 1.710 116.240 114.554 -0.039 0.000 2.624 269 T HA -0.131 4.220 4.350 0.001 0.000 0.268 269 T C -0.215 174.446 174.700 -0.065 0.000 1.041 269 T CA 2.304 64.373 62.100 -0.052 0.000 1.159 269 T CB -1.116 67.725 68.868 -0.045 0.000 0.863 269 T HN 0.370 nan 8.240 nan 0.000 0.434 270 P HA -0.023 nan 4.420 nan 0.000 0.216 270 P C 1.519 178.750 177.300 -0.115 0.000 1.153 270 P CA 0.978 64.030 63.100 -0.081 0.000 0.858 270 P CB -0.167 31.484 31.700 -0.081 0.000 0.789 271 L N -1.885 119.256 121.223 -0.136 0.000 2.109 271 L HA -0.118 4.222 4.340 0.001 0.000 0.207 271 L C 2.458 179.247 176.870 -0.136 0.000 1.086 271 L CA 0.994 55.736 54.840 -0.162 0.000 0.760 271 L CB -0.841 41.126 42.059 -0.153 0.000 0.910 271 L HN -0.049 nan 8.230 nan 0.000 0.437 272 L N -0.399 120.760 121.223 -0.107 0.000 1.989 272 L HA -0.277 4.063 4.340 0.001 0.000 0.211 272 L C 2.321 179.121 176.870 -0.117 0.000 1.071 272 L CA 1.340 56.109 54.840 -0.118 0.000 0.749 272 L CB -0.719 41.278 42.059 -0.103 0.000 0.890 272 L HN 0.303 nan 8.230 nan 0.000 0.431 273 D N 0.012 120.355 120.400 -0.097 0.000 2.116 273 D HA -0.227 4.413 4.640 0.001 0.000 0.193 273 D C 2.236 178.492 176.300 -0.072 0.000 0.998 273 D CA 1.184 55.137 54.000 -0.079 0.000 0.836 273 D CB -0.213 40.547 40.800 -0.066 0.000 0.951 273 D HN 0.246 nan 8.370 nan 0.000 0.449 274 L N 0.480 121.651 121.223 -0.086 0.000 2.017 274 L HA -0.143 4.198 4.340 0.001 0.000 0.208 274 L C 2.398 179.212 176.870 -0.093 0.000 1.073 274 L CA 0.948 55.739 54.840 -0.081 0.000 0.745 274 L CB -0.188 41.803 42.059 -0.114 0.000 0.894 274 L HN 0.026 nan 8.230 nan 0.000 0.432 275 I N -0.128 120.355 120.570 -0.145 0.000 2.179 275 I HA -0.365 3.805 4.170 0.001 0.000 0.242 275 I C 2.637 178.694 176.117 -0.100 0.000 1.088 275 I CA 1.413 62.589 61.300 -0.207 0.000 1.357 275 I CB -0.353 37.394 38.000 -0.422 0.000 1.051 275 I HN 0.274 nan 8.210 nan 0.000 0.409 276 K N 0.552 120.939 120.400 -0.022 0.000 2.026 276 K HA -0.182 4.138 4.320 0.001 0.000 0.208 276 K C 2.090 178.718 176.600 0.045 0.000 1.048 276 K CA 2.035 58.375 56.287 0.090 0.000 0.929 276 K CB -0.084 32.437 32.500 0.034 0.000 0.713 276 K HN 0.238 nan 8.250 nan 0.000 0.439 277 T N 0.647 115.207 114.554 0.009 0.000 2.746 277 T HA -0.103 4.247 4.350 0.001 0.000 0.267 277 T C 1.837 176.626 174.700 0.149 0.000 1.039 277 T CA 1.287 63.412 62.100 0.041 0.000 1.142 277 T CB -0.248 68.631 68.868 0.018 0.000 0.866 277 T HN 0.403 nan 8.240 nan 0.000 0.444 278 A N 1.003 123.857 122.820 0.056 0.000 1.930 278 A HA 0.084 4.404 4.320 0.001 0.000 0.217 278 A C 2.212 179.802 177.584 0.010 0.000 1.175 278 A CA 1.074 53.126 52.037 0.025 0.000 0.627 278 A CB -0.682 18.299 19.000 -0.032 0.000 0.815 278 A HN 0.480 nan 8.150 nan 0.000 0.443 279 L N -0.401 120.819 121.223 -0.006 0.000 2.418 279 L HA 0.010 4.351 4.340 0.001 0.000 0.218 279 L C 0.354 177.231 176.870 0.011 0.000 1.125 279 L CA 0.254 55.074 54.840 -0.033 0.000 0.835 279 L CB -0.285 41.707 42.059 -0.113 0.000 0.953 279 L HN 0.182 nan 8.230 nan 0.000 0.454 280 T N 1.368 115.968 114.554 0.076 0.000 2.856 280 T HA 0.256 4.607 4.350 0.001 0.000 0.292 280 T C -2.354 172.471 174.700 0.209 0.000 0.980 280 T CA -1.136 61.028 62.100 0.108 0.000 1.091 280 T CB 1.313 70.228 68.868 0.078 0.000 0.936 280 T HN -0.145 nan 8.240 nan 0.000 0.503 281 P HA 0.269 nan 4.420 nan 0.000 0.276 281 P C -0.417 177.012 177.300 0.215 0.000 1.235 281 P CA -0.028 63.131 63.100 0.098 0.000 0.772 281 P CB 0.460 32.182 31.700 0.037 0.000 0.871 282 H N 1.305 120.364 119.070 -0.018 0.000 2.876 282 H HA 0.314 4.871 4.556 0.001 0.000 0.284 282 H C -3.206 172.114 175.328 -0.015 0.000 1.445 282 H CA -2.078 53.960 56.048 -0.015 0.000 1.141 282 H CB -0.153 29.600 29.762 -0.015 0.000 1.816 282 H HN 0.112 nan 8.280 nan 0.000 0.511 283 P HA 0.207 nan 4.420 nan 0.000 0.269 283 P C -2.647 174.602 177.300 -0.086 0.000 1.252 283 P CA -0.947 62.138 63.100 -0.026 0.000 0.780 283 P CB -0.045 31.674 31.700 0.031 0.000 0.829 284 P HA -0.034 nan 4.420 nan 0.000 0.266 284 P C -0.497 176.770 177.300 -0.054 0.000 1.180 284 P CA 0.829 63.854 63.100 -0.124 0.000 0.765 284 P CB 0.222 31.867 31.700 -0.092 0.000 0.806 285 Q N 0.018 119.795 119.800 -0.038 0.000 2.518 285 Q HA 0.301 4.642 4.340 0.001 0.000 0.254 285 Q C -1.312 174.685 176.000 -0.004 0.000 0.962 285 Q CA -1.159 54.640 55.803 -0.007 0.000 0.982 285 Q CB 0.952 29.702 28.738 0.020 0.000 1.516 285 Q HN 0.142 nan 8.270 nan 0.000 0.426 286 K N 2.072 122.468 120.400 -0.006 0.000 2.437 286 K HA -0.039 4.282 4.320 0.001 0.000 0.277 286 K C -0.358 176.243 176.600 0.002 0.000 1.073 286 K CA 0.693 56.975 56.287 -0.009 0.000 1.105 286 K CB 0.537 33.033 32.500 -0.007 0.000 0.881 286 K HN 0.540 nan 8.250 nan 0.000 0.475 287 Q N 1.558 121.362 119.800 0.007 0.000 3.321 287 Q HA 0.543 4.884 4.340 0.001 0.000 0.257 287 Q C -0.966 175.054 176.000 0.033 0.000 1.041 287 Q CA -0.659 55.157 55.803 0.023 0.000 0.789 287 Q CB 0.961 29.723 28.738 0.040 0.000 2.366 287 Q HN 0.693 nan 8.270 nan 0.000 0.416 288 A N 0.168 123.024 122.820 0.061 0.000 2.584 288 A HA 0.084 4.404 4.320 0.001 0.000 0.239 288 A C -0.925 176.799 177.584 0.232 0.000 1.043 288 A CA 0.977 53.059 52.037 0.074 0.000 0.756 288 A CB -0.785 18.301 19.000 0.143 0.000 0.963 288 A HN 0.809 nan 8.150 nan 0.000 0.511 289 Y N -0.073 120.219 120.300 -0.015 0.000 4.936 289 Y HA -0.249 4.301 4.550 0.000 0.000 0.260 289 Y C 1.682 177.545 175.900 -0.062 0.000 0.928 289 Y CA 1.505 59.601 58.100 -0.008 0.000 1.869 289 Y CB -1.671 36.790 38.460 0.001 0.000 1.344 289 Y HN 2.285 nan 8.280 nan 0.000 0.521 290 G N -0.904 107.914 108.800 0.030 0.000 2.148 290 G HA2 -0.221 3.739 3.960 0.001 0.000 0.254 290 G HA3 -0.221 3.739 3.960 0.001 0.000 0.254 290 G C 0.077 174.912 174.900 -0.108 0.000 0.981 290 G CA 0.060 45.152 45.100 -0.014 0.000 0.670 290 G HN 0.593 nan 8.290 nan 0.000 0.528 291 V N 0.294 120.123 119.914 -0.141 0.000 2.997 291 V HA 0.707 4.828 4.120 0.001 0.000 0.311 291 V C 0.818 176.863 176.094 -0.082 0.000 1.066 291 V CA 0.201 62.379 62.300 -0.203 0.000 1.039 291 V CB 1.789 33.480 31.823 -0.220 0.000 1.081 291 V HN 0.278 nan 8.190 nan 0.000 0.467 292 T N 4.526 119.037 114.554 -0.072 0.000 2.770 292 T HA 0.693 5.043 4.350 0.001 0.000 0.283 292 T C -0.660 174.007 174.700 -0.055 0.000 0.988 292 T CA -0.228 61.843 62.100 -0.048 0.000 0.957 292 T CB 0.493 69.336 68.868 -0.041 0.000 0.930 292 T HN 0.361 nan 8.240 nan 0.000 0.443 293 L N 4.546 125.734 121.223 -0.057 0.000 2.422 293 L HA 0.518 4.858 4.340 0.001 0.000 0.264 293 L C -2.614 174.117 176.870 -0.233 0.000 0.984 293 L CA -2.641 52.144 54.840 -0.091 0.000 0.819 293 L CB 2.553 44.600 42.059 -0.020 0.000 1.330 293 L HN 0.326 nan 8.230 nan 0.000 0.410 294 P HA 0.308 nan 4.420 nan 0.000 0.277 294 P C -0.351 176.860 177.300 -0.149 0.000 1.276 294 P CA -0.023 62.923 63.100 -0.257 0.000 0.788 294 P CB 1.155 32.669 31.700 -0.309 0.000 1.114 295 T N -2.653 111.841 114.554 -0.100 0.000 2.600 295 T HA 0.305 4.655 4.350 0.001 0.000 0.201 295 T C 0.554 175.218 174.700 -0.059 0.000 0.897 295 T CA 0.475 62.534 62.100 -0.068 0.000 1.337 295 T CB -0.343 68.498 68.868 -0.044 0.000 1.978 295 T HN 0.179 nan 8.240 nan 0.000 0.425 296 S N -0.888 114.787 115.700 -0.042 0.000 3.325 296 S HA 0.492 4.963 4.470 0.001 0.000 0.254 296 S C -0.653 173.928 174.600 -0.032 0.000 1.084 296 S CA -0.013 58.159 58.200 -0.047 0.000 0.786 296 S CB 1.044 64.217 63.200 -0.045 0.000 0.849 296 S HN 0.520 nan 8.310 nan 0.000 0.483 297 V N 2.746 122.661 119.914 0.002 0.000 2.588 297 V HA 0.569 4.689 4.120 0.001 0.000 0.304 297 V C -1.125 175.010 176.094 0.068 0.000 1.042 297 V CA -0.507 61.819 62.300 0.043 0.000 0.877 297 V CB 1.995 33.866 31.823 0.080 0.000 0.996 297 V HN 0.363 nan 8.190 nan 0.000 0.425 298 L N 4.969 126.235 121.223 0.071 0.000 2.381 298 L HA 0.641 4.981 4.340 0.001 0.000 0.274 298 L C -1.764 175.164 176.870 0.096 0.000 0.988 298 L CA -0.528 54.351 54.840 0.065 0.000 0.824 298 L CB 1.831 43.890 42.059 -0.001 0.000 1.263 298 L HN 0.716 nan 8.230 nan 0.000 0.410 299 F N 6.076 125.993 119.950 -0.055 0.000 2.467 299 F HA 0.588 5.115 4.527 0.001 0.000 0.336 299 F C -0.837 174.890 175.800 -0.122 0.000 1.123 299 F CA -0.523 57.382 58.000 -0.158 0.000 0.964 299 F CB 1.273 40.093 39.000 -0.299 0.000 1.136 299 F HN 0.236 nan 8.300 nan 0.000 0.447 300 I N 6.275 126.481 120.570 -0.606 0.000 2.382 300 I HA 0.434 4.604 4.170 0.001 0.000 0.285 300 I C -0.321 175.533 176.117 -0.438 0.000 1.007 300 I CA -0.840 60.261 61.300 -0.331 0.000 1.142 300 I CB 1.643 39.526 38.000 -0.194 0.000 1.289 300 I HN 0.765 nan 8.210 nan 0.000 0.453 301 A N 5.395 128.112 122.820 -0.171 0.000 2.310 301 A HA 0.732 5.052 4.320 0.001 0.000 0.300 301 A C 0.410 177.880 177.584 -0.190 0.000 1.269 301 A CA 0.008 51.954 52.037 -0.152 0.000 0.909 301 A CB 0.039 19.043 19.000 0.007 0.000 1.144 301 A HN 0.869 nan 8.150 nan 0.000 0.540 302 G N 1.197 109.876 108.800 -0.201 0.000 3.252 302 G HA2 0.639 4.600 3.960 0.001 0.000 0.181 302 G HA3 0.639 4.600 3.960 0.001 0.000 0.181 302 G C -0.520 174.061 174.900 -0.531 0.000 1.187 302 G CA -0.403 44.546 45.100 -0.253 0.000 0.886 302 G HN 0.731 nan 8.290 nan 0.000 0.615 303 H N -0.668 118.433 119.070 0.051 0.000 2.864 303 H HA 0.243 4.799 4.556 0.001 0.000 0.354 303 H C 0.498 175.836 175.328 0.017 0.000 1.208 303 H CA 0.110 56.145 56.048 -0.021 0.000 1.191 303 H CB 2.094 31.933 29.762 0.127 0.000 1.889 303 H HN 0.582 nan 8.280 nan 0.000 0.574 304 D N -0.471 120.027 120.400 0.164 0.000 2.144 304 D HA -0.183 4.458 4.640 0.001 0.000 0.199 304 D C 1.675 178.191 176.300 0.360 0.000 0.984 304 D CA 1.961 56.065 54.000 0.174 0.000 0.834 304 D CB -0.877 39.953 40.800 0.050 0.000 0.955 304 D HN 0.618 nan 8.370 nan 0.000 0.465 305 T N -1.228 113.585 114.554 0.432 0.000 2.720 305 T HA -0.230 4.120 4.350 0.001 0.000 0.268 305 T C 1.712 176.548 174.700 0.226 0.000 1.037 305 T CA 1.671 63.952 62.100 0.301 0.000 1.144 305 T CB -0.975 67.974 68.868 0.136 0.000 0.864 305 T HN 0.247 nan 8.240 nan 0.000 0.444 306 N N 1.470 120.317 118.700 0.245 0.000 2.084 306 N HA 0.065 4.805 4.740 0.001 0.000 0.190 306 N C 1.963 177.587 175.510 0.190 0.000 1.030 306 N CA 1.344 54.517 53.050 0.205 0.000 0.849 306 N CB -0.423 38.211 38.487 0.244 0.000 1.012 306 N HN 0.292 nan 8.380 nan 0.000 0.423 307 L N 0.439 121.785 121.223 0.204 0.000 2.093 307 L HA -0.065 4.276 4.340 0.001 0.000 0.208 307 L C 2.496 179.551 176.870 0.307 0.000 1.085 307 L CA 0.969 55.958 54.840 0.248 0.000 0.755 307 L CB -0.773 41.425 42.059 0.232 0.000 0.904 307 L HN 0.252 nan 8.230 nan 0.000 0.435 308 A N 0.494 123.468 122.820 0.256 0.000 1.898 308 A HA -0.189 4.131 4.320 0.001 0.000 0.216 308 A C 2.058 179.713 177.584 0.118 0.000 1.181 308 A CA 1.654 53.801 52.037 0.184 0.000 0.620 308 A CB -0.489 18.672 19.000 0.270 0.000 0.819 308 A HN 0.420 nan 8.150 nan 0.000 0.442 309 N N 0.397 119.167 118.700 0.117 0.000 2.084 309 N HA -0.123 4.618 4.740 0.001 0.000 0.190 309 N C 1.678 177.242 175.510 0.089 0.000 1.030 309 N CA 1.536 54.627 53.050 0.068 0.000 0.849 309 N CB -0.614 37.909 38.487 0.060 0.000 1.012 309 N HN 0.498 nan 8.380 nan 0.000 0.423 310 L N 0.405 121.716 121.223 0.146 0.000 2.046 310 L HA -0.090 4.250 4.340 0.001 0.000 0.208 310 L C 2.486 179.486 176.870 0.217 0.000 1.077 310 L CA 1.418 56.371 54.840 0.190 0.000 0.747 310 L CB -0.907 41.312 42.059 0.267 0.000 0.896 310 L HN 0.225 nan 8.230 nan 0.000 0.432 311 G N -0.390 108.557 108.800 0.246 0.000 2.418 311 G HA2 -0.194 3.767 3.960 0.001 0.000 0.217 311 G HA3 -0.194 3.767 3.960 0.001 0.000 0.217 311 G C 1.588 176.527 174.900 0.066 0.000 1.158 311 G CA 0.751 45.974 45.100 0.205 0.000 0.771 311 G HN 0.484 nan 8.290 nan 0.000 0.545 312 G N 1.106 109.916 108.800 0.018 0.000 2.421 312 G HA2 0.038 3.998 3.960 0.001 0.000 0.216 312 G HA3 0.038 3.998 3.960 0.001 0.000 0.216 312 G C 2.076 176.976 174.900 -0.000 0.000 1.171 312 G CA 1.592 46.678 45.100 -0.023 0.000 0.775 312 G HN 0.654 nan 8.290 nan 0.000 0.543 313 A N -0.051 122.782 122.820 0.021 0.000 1.933 313 A HA 0.138 4.459 4.320 0.001 0.000 0.218 313 A C 2.074 179.673 177.584 0.025 0.000 1.175 313 A CA 1.165 53.209 52.037 0.013 0.000 0.628 313 A CB -0.208 18.799 19.000 0.012 0.000 0.814 313 A HN 0.304 nan 8.150 nan 0.000 0.444 314 L N -0.464 120.803 121.223 0.074 0.000 2.592 314 L HA 0.179 4.520 4.340 0.001 0.000 0.227 314 L C 0.204 177.131 176.870 0.096 0.000 1.127 314 L CA 0.507 55.405 54.840 0.096 0.000 0.884 314 L CB -1.188 40.991 42.059 0.200 0.000 1.065 314 L HN 0.516 nan 8.230 nan 0.000 0.457 315 E N 0.365 120.606 120.200 0.070 0.000 2.246 315 E HA -0.227 4.124 4.350 0.001 0.000 0.211 315 E C -0.527 176.130 176.600 0.095 0.000 1.278 315 E CA 0.174 56.609 56.400 0.057 0.000 0.694 315 E CB -1.493 28.234 29.700 0.044 0.000 1.166 315 E HN 0.299 nan 8.360 nan 0.000 0.370 316 L N 1.328 122.629 121.223 0.130 0.000 2.319 316 L HA 0.439 4.780 4.340 0.001 0.000 0.281 316 L C 0.267 177.214 176.870 0.127 0.000 1.005 316 L CA -0.676 54.298 54.840 0.222 0.000 0.828 316 L CB 1.194 43.485 42.059 0.386 0.000 1.227 316 L HN 0.094 nan 8.230 nan 0.000 0.415 317 N N 3.357 122.124 118.700 0.111 0.000 2.321 317 N HA 0.581 5.321 4.740 0.001 0.000 0.299 317 N C -1.422 174.162 175.510 0.124 0.000 1.048 317 N CA -0.364 52.649 53.050 -0.061 0.000 0.836 317 N CB 2.688 41.151 38.487 -0.039 0.000 1.269 317 N HN 0.529 nan 8.380 nan 0.000 0.486 318 W N 0.076 121.372 121.300 -0.007 0.000 3.074 318 W HA 0.555 5.216 4.660 0.002 0.000 0.332 318 W C -1.245 175.237 176.519 -0.063 0.000 1.253 318 W CA -0.889 56.435 57.345 -0.035 0.000 1.180 318 W CB 0.750 30.178 29.460 -0.052 0.000 1.445 318 W HN 0.258 nan 8.180 nan 0.000 0.573 319 T N 2.204 116.885 114.554 0.211 0.000 2.881 319 T HA 0.603 4.954 4.350 0.001 0.000 0.290 319 T C -1.449 173.273 174.700 0.037 0.000 1.000 319 T CA -0.669 61.479 62.100 0.081 0.000 0.978 319 T CB 0.496 69.379 68.868 0.024 0.000 0.997 319 T HN 0.598 nan 8.240 nan 0.000 0.443 320 L N 7.376 128.535 121.223 -0.107 0.000 2.272 320 L HA 0.418 4.758 4.340 0.001 0.000 0.284 320 L C -1.963 174.839 176.870 -0.112 0.000 1.045 320 L CA -2.165 52.435 54.840 -0.401 0.000 0.842 320 L CB 0.946 42.277 42.059 -1.212 0.000 1.224 320 L HN 0.468 nan 8.230 nan 0.000 0.430 321 P HA -0.026 nan 4.420 nan 0.000 0.260 321 P C 0.927 178.342 177.300 0.191 0.000 1.185 321 P CA 0.923 64.097 63.100 0.123 0.000 0.763 321 P CB 1.024 32.799 31.700 0.125 0.000 0.776 322 G N 2.073 110.936 108.800 0.105 0.000 2.175 322 G HA2 -0.223 3.737 3.960 0.001 0.000 0.244 322 G HA3 -0.223 3.737 3.960 0.001 0.000 0.244 322 G C 0.022 174.985 174.900 0.106 0.000 0.982 322 G CA 0.163 45.322 45.100 0.098 0.000 0.641 322 G HN 0.730 nan 8.290 nan 0.000 0.527 323 Q N 0.346 120.204 119.800 0.095 0.000 2.414 323 Q HA 0.560 4.901 4.340 0.001 0.000 0.256 323 Q C -1.380 174.610 176.000 -0.017 0.000 0.974 323 Q CA -1.659 54.171 55.803 0.044 0.000 0.723 323 Q CB 2.209 30.994 28.738 0.077 0.000 1.281 323 Q HN 0.159 nan 8.270 nan 0.000 0.470 324 P HA -0.078 nan 4.420 nan 0.000 0.222 324 P C -0.235 177.093 177.300 0.046 0.000 1.147 324 P CA 0.601 63.731 63.100 0.050 0.000 0.790 324 P CB 0.430 32.206 31.700 0.127 0.000 0.780 325 D N 0.237 120.658 120.400 0.035 0.000 2.280 325 D HA 0.042 4.682 4.640 0.001 0.000 0.243 325 D C 1.098 177.393 176.300 -0.009 0.000 1.129 325 D CA -0.390 53.635 54.000 0.040 0.000 0.848 325 D CB 0.194 41.035 40.800 0.069 0.000 1.107 325 D HN -0.216 nan 8.370 nan 0.000 0.471 326 N N 1.931 120.616 118.700 -0.024 0.000 2.149 326 N HA -0.130 4.610 4.740 0.001 0.000 0.188 326 N C 0.235 175.861 175.510 0.193 0.000 1.019 326 N CA 1.166 54.234 53.050 0.031 0.000 0.857 326 N CB 0.286 38.716 38.487 -0.095 0.000 0.997 326 N HN 0.558 nan 8.380 nan 0.000 0.426 327 T N -0.493 114.093 114.554 0.053 0.000 3.317 327 T HA 0.349 4.700 4.350 0.001 0.000 0.361 327 T C -2.865 171.836 174.700 0.002 0.000 1.499 327 T CA -1.658 60.491 62.100 0.082 0.000 1.529 327 T CB 2.098 71.016 68.868 0.083 0.000 0.997 327 T HN -0.033 nan 8.240 nan 0.000 0.624 328 P HA 0.323 nan 4.420 nan 0.000 0.274 328 P C -2.586 174.736 177.300 0.036 0.000 1.237 328 P CA -1.646 61.478 63.100 0.040 0.000 0.793 328 P CB 0.082 31.820 31.700 0.064 0.000 0.977 329 P HA -0.072 nan 4.420 nan 0.000 0.264 329 P C 1.053 178.397 177.300 0.073 0.000 1.183 329 P CA 1.305 64.438 63.100 0.055 0.000 0.763 329 P CB -0.209 31.563 31.700 0.120 0.000 0.807 330 G N 1.921 110.760 108.800 0.065 0.000 2.304 330 G HA2 -0.228 3.732 3.960 0.001 0.000 0.252 330 G HA3 -0.228 3.732 3.960 0.001 0.000 0.252 330 G C 0.648 175.605 174.900 0.096 0.000 1.014 330 G CA 0.102 45.266 45.100 0.107 0.000 0.619 330 G HN 0.907 nan 8.290 nan 0.000 0.525 331 G N 0.442 109.285 108.800 0.071 0.000 2.368 331 G HA2 0.404 4.364 3.960 0.001 0.000 0.233 331 G HA3 0.404 4.364 3.960 0.001 0.000 0.233 331 G C -0.116 174.789 174.900 0.008 0.000 1.267 331 G CA 0.652 45.792 45.100 0.067 0.000 0.873 331 G HN 0.655 nan 8.290 nan 0.000 0.539 332 E N 1.047 121.242 120.200 -0.008 0.000 2.246 332 E HA 0.261 4.611 4.350 0.001 0.000 0.266 332 E C -0.763 175.753 176.600 -0.139 0.000 0.880 332 E CA -0.741 55.621 56.400 -0.062 0.000 0.762 332 E CB 2.546 32.252 29.700 0.009 0.000 1.180 332 E HN 0.302 nan 8.360 nan 0.000 0.416 333 L N 4.007 125.130 121.223 -0.166 0.000 2.260 333 L HA 0.371 4.712 4.340 0.001 0.000 0.289 333 L C -1.066 175.666 176.870 -0.231 0.000 1.057 333 L CA -0.707 53.972 54.840 -0.270 0.000 0.811 333 L CB 0.854 42.813 42.059 -0.166 0.000 1.184 333 L HN 0.354 nan 8.230 nan 0.000 0.429 334 V N 5.473 125.207 119.914 -0.301 0.000 2.417 334 V HA 0.399 4.519 4.120 0.001 0.000 0.291 334 V C -0.434 175.491 176.094 -0.281 0.000 1.024 334 V CA -0.447 61.753 62.300 -0.166 0.000 0.861 334 V CB 1.490 33.286 31.823 -0.044 0.000 0.985 334 V HN 0.440 nan 8.190 nan 0.000 0.436 335 F N 2.582 122.517 119.950 -0.025 0.000 2.458 335 F HA 0.623 5.150 4.527 0.000 0.000 0.336 335 F C 0.514 176.282 175.800 -0.053 0.000 1.114 335 F CA -0.432 57.538 58.000 -0.050 0.000 0.987 335 F CB 1.650 40.597 39.000 -0.088 0.000 1.130 335 F HN 0.445 nan 8.300 nan 0.000 0.458 336 E N 2.023 122.303 120.200 0.133 0.000 2.293 336 E HA 0.418 4.768 4.350 0.001 0.000 0.270 336 E C -1.105 175.534 176.600 0.066 0.000 0.879 336 E CA -1.212 55.218 56.400 0.050 0.000 0.756 336 E CB 3.029 32.790 29.700 0.102 0.000 1.208 336 E HN 0.465 nan 8.360 nan 0.000 0.428 337 R N 2.784 123.243 120.500 -0.067 0.000 2.295 337 R HA 0.379 4.719 4.340 0.001 0.000 0.324 337 R C -1.588 174.703 176.300 -0.015 0.000 0.968 337 R CA -0.468 55.644 56.100 0.020 0.000 0.837 337 R CB 0.736 31.017 30.300 -0.032 0.000 1.133 337 R HN 0.425 nan 8.270 nan 0.000 0.450 338 W N 3.395 124.756 121.300 0.101 0.000 2.666 338 W HA 0.479 5.139 4.660 0.000 0.000 0.334 338 W C 0.011 176.645 176.519 0.191 0.000 1.051 338 W CA -0.770 56.646 57.345 0.117 0.000 1.224 338 W CB 1.260 30.782 29.460 0.104 0.000 1.405 338 W HN 0.203 nan 8.180 nan 0.000 0.513 339 R N 3.233 123.955 120.500 0.370 0.000 2.295 339 R HA 0.377 4.717 4.340 0.001 0.000 0.324 339 R C -0.323 176.161 176.300 0.307 0.000 0.968 339 R CA -1.008 55.278 56.100 0.310 0.000 0.837 339 R CB 1.090 31.491 30.300 0.168 0.000 1.133 339 R HN 0.697 nan 8.270 nan 0.000 0.450 340 R N 5.356 126.075 120.500 0.365 0.000 2.343 340 R HA 0.067 4.408 4.340 0.001 0.000 0.326 340 R C 1.237 177.632 176.300 0.157 0.000 1.055 340 R CA -0.063 56.165 56.100 0.214 0.000 0.961 340 R CB 0.325 30.755 30.300 0.218 0.000 0.978 340 R HN 0.734 nan 8.270 nan 0.000 0.443 341 L N 2.450 123.738 121.223 0.109 0.000 2.051 341 L HA -0.300 4.040 4.340 0.001 0.000 0.214 341 L C 2.105 179.016 176.870 0.069 0.000 1.076 341 L CA 1.494 56.383 54.840 0.081 0.000 0.758 341 L CB -0.622 41.473 42.059 0.060 0.000 0.890 341 L HN 0.709 nan 8.230 nan 0.000 0.433 342 S N 0.750 116.486 115.700 0.060 0.000 2.404 342 S HA -0.247 4.224 4.470 0.001 0.000 0.230 342 S C 1.247 175.886 174.600 0.064 0.000 1.046 342 S CA 2.170 60.401 58.200 0.051 0.000 1.135 342 S CB -0.493 62.732 63.200 0.042 0.000 1.056 342 S HN 0.700 nan 8.310 nan 0.000 0.426 343 D N -0.779 119.676 120.400 0.092 0.000 2.469 343 D HA 0.213 4.853 4.640 0.001 0.000 0.215 343 D C -0.361 175.999 176.300 0.101 0.000 1.154 343 D CA -0.252 53.803 54.000 0.092 0.000 0.832 343 D CB -0.930 39.932 40.800 0.103 0.000 1.008 343 D HN 0.230 nan 8.370 nan 0.000 0.506 344 N N 0.114 118.884 118.700 0.116 0.000 2.735 344 N HA -0.184 4.557 4.740 0.001 0.000 0.248 344 N C -0.832 174.749 175.510 0.118 0.000 1.083 344 N CA 1.043 54.160 53.050 0.111 0.000 0.703 344 N CB -1.667 36.862 38.487 0.070 0.000 1.005 344 N HN 0.508 nan 8.380 nan 0.000 0.550 345 S N -1.176 114.639 115.700 0.193 0.000 2.586 345 S HA 0.475 4.945 4.470 0.001 0.000 0.274 345 S C 0.093 174.726 174.600 0.055 0.000 1.281 345 S CA -0.896 57.375 58.200 0.118 0.000 1.035 345 S CB 1.983 65.322 63.200 0.231 0.000 0.962 345 S HN 0.094 nan 8.310 nan 0.000 0.512 346 Q N 1.158 120.814 119.800 -0.240 0.000 2.243 346 Q HA 0.430 4.770 4.340 0.001 0.000 0.252 346 Q C -1.339 174.262 176.000 -0.665 0.000 0.909 346 Q CA 0.106 55.773 55.803 -0.227 0.000 0.922 346 Q CB 1.084 29.741 28.738 -0.136 0.000 1.215 346 Q HN 0.850 nan 8.270 nan 0.000 0.427 347 W N 1.725 123.084 121.300 0.098 0.000 3.031 347 W HA 0.648 5.308 4.660 0.000 0.000 0.337 347 W C -0.505 176.083 176.519 0.115 0.000 1.187 347 W CA -0.447 56.959 57.345 0.101 0.000 1.166 347 W CB 1.241 30.759 29.460 0.097 0.000 1.437 347 W HN 0.348 nan 8.180 nan 0.000 0.551 348 I N 1.575 122.322 120.570 0.296 0.000 2.582 348 I HA 0.320 4.491 4.170 0.001 0.000 0.292 348 I C -0.633 175.599 176.117 0.191 0.000 1.066 348 I CA -1.099 60.293 61.300 0.153 0.000 1.053 348 I CB 2.298 40.191 38.000 -0.178 0.000 1.241 348 I HN 0.375 nan 8.210 nan 0.000 0.421 349 Q N 5.255 125.182 119.800 0.211 0.000 2.365 349 Q HA 0.748 5.088 4.340 0.001 0.000 0.269 349 Q C -2.050 173.990 176.000 0.067 0.000 1.061 349 Q CA -0.667 55.230 55.803 0.156 0.000 0.816 349 Q CB 2.711 31.575 28.738 0.210 0.000 1.325 349 Q HN 0.523 nan 8.270 nan 0.000 0.446 350 V N 2.462 122.370 119.914 -0.010 0.000 2.656 350 V HA 0.712 4.833 4.120 0.001 0.000 0.307 350 V C -0.602 175.397 176.094 -0.159 0.000 1.051 350 V CA -0.495 61.689 62.300 -0.192 0.000 0.893 350 V CB 1.555 33.235 31.823 -0.238 0.000 0.999 350 V HN 0.951 nan 8.190 nan 0.000 0.426 351 S N 4.133 119.696 115.700 -0.230 0.000 2.671 351 S HA 0.797 5.268 4.470 0.001 0.000 0.277 351 S C -1.607 172.820 174.600 -0.290 0.000 1.165 351 S CA -0.844 57.247 58.200 -0.182 0.000 0.822 351 S CB 2.276 65.435 63.200 -0.069 0.000 1.150 351 S HN 0.614 nan 8.310 nan 0.000 0.479 352 L N 2.321 123.375 121.223 -0.281 0.000 2.343 352 L HA 0.663 5.003 4.340 0.001 0.000 0.278 352 L C -1.391 175.449 176.870 -0.050 0.000 0.996 352 L CA -0.667 53.957 54.840 -0.360 0.000 0.831 352 L CB 1.283 42.864 42.059 -0.795 0.000 1.232 352 L HN 0.761 nan 8.230 nan 0.000 0.413 353 V N 7.096 127.008 119.914 -0.003 0.000 2.370 353 V HA 0.544 4.664 4.120 0.001 0.000 0.283 353 V C -0.173 176.003 176.094 0.137 0.000 1.023 353 V CA -0.381 61.950 62.300 0.052 0.000 0.857 353 V CB 1.202 33.046 31.823 0.036 0.000 0.985 353 V HN 0.662 nan 8.190 nan 0.000 0.443 354 F N 2.124 122.017 119.950 -0.096 0.000 2.662 354 F HA 0.744 5.272 4.527 0.001 0.000 0.312 354 F C -0.697 175.062 175.800 -0.067 0.000 1.113 354 F CA -1.271 56.688 58.000 -0.067 0.000 0.951 354 F CB 1.776 40.737 39.000 -0.065 0.000 1.344 354 F HN 0.297 nan 8.300 nan 0.000 0.462 355 Q N 1.655 121.443 119.800 -0.020 0.000 2.257 355 Q HA 0.417 4.758 4.340 0.001 0.000 0.255 355 Q C -0.162 175.876 176.000 0.063 0.000 0.920 355 Q CA -0.965 54.780 55.803 -0.095 0.000 0.927 355 Q CB 2.018 30.759 28.738 0.005 0.000 1.229 355 Q HN 0.838 nan 8.270 nan 0.000 0.433 356 T N -0.856 113.677 114.554 -0.035 0.000 2.802 356 T HA 0.023 4.373 4.350 0.001 0.000 0.305 356 T C 1.010 175.731 174.700 0.035 0.000 1.053 356 T CA -0.639 61.519 62.100 0.096 0.000 1.058 356 T CB 0.500 69.377 68.868 0.014 0.000 0.988 356 T HN 0.516 nan 8.240 nan 0.000 0.539 357 L N 0.647 121.867 121.223 -0.006 0.000 2.079 357 L HA -0.018 4.322 4.340 0.001 0.000 0.210 357 L C 2.726 179.523 176.870 -0.122 0.000 1.081 357 L CA 1.857 56.631 54.840 -0.112 0.000 0.752 357 L CB -1.354 40.548 42.059 -0.261 0.000 0.896 357 L HN 0.888 nan 8.230 nan 0.000 0.433 358 Q N -0.542 119.200 119.800 -0.097 0.000 2.079 358 Q HA -0.207 4.133 4.340 0.001 0.000 0.200 358 Q C 2.267 178.235 176.000 -0.052 0.000 0.974 358 Q CA 1.708 57.465 55.803 -0.078 0.000 0.840 358 Q CB -0.216 28.488 28.738 -0.058 0.000 0.898 358 Q HN 0.619 nan 8.270 nan 0.000 0.430 359 Q N -1.117 118.654 119.800 -0.049 0.000 2.364 359 Q HA -0.099 4.242 4.340 0.001 0.000 0.209 359 Q C 1.676 177.675 176.000 -0.002 0.000 0.977 359 Q CA 1.197 56.974 55.803 -0.043 0.000 0.885 359 Q CB 0.048 28.742 28.738 -0.073 0.000 0.941 359 Q HN 0.486 nan 8.270 nan 0.000 0.464 360 M N -1.231 118.369 119.600 -0.000 0.000 2.447 360 M HA 0.006 4.487 4.480 0.001 0.000 0.266 360 M C 2.040 178.351 176.300 0.018 0.000 1.120 360 M CA 0.403 55.722 55.300 0.031 0.000 1.166 360 M CB 0.037 32.651 32.600 0.024 0.000 1.349 360 M HN -0.039 nan 8.290 nan 0.000 0.463 361 R N 1.440 121.927 120.500 -0.022 0.000 2.083 361 R HA -0.136 4.204 4.340 0.001 0.000 0.237 361 R C 0.646 176.945 176.300 -0.001 0.000 1.137 361 R CA 1.671 57.756 56.100 -0.025 0.000 0.951 361 R CB -0.550 29.715 30.300 -0.058 0.000 0.851 361 R HN 0.362 nan 8.270 nan 0.000 0.434 362 D N 0.384 120.783 120.400 -0.002 0.000 2.328 362 D HA -0.029 4.612 4.640 0.001 0.000 0.221 362 D C 0.281 176.598 176.300 0.030 0.000 1.072 362 D CA -0.045 53.959 54.000 0.005 0.000 0.850 362 D CB -0.062 40.730 40.800 -0.012 0.000 0.922 362 D HN 0.151 nan 8.370 nan 0.000 0.516 363 K N 1.563 122.002 120.400 0.065 0.000 3.156 363 K HA -0.203 4.118 4.320 0.001 0.000 0.266 363 K C -0.260 176.412 176.600 0.120 0.000 0.966 363 K CA 0.563 56.951 56.287 0.168 0.000 0.719 363 K CB -1.556 31.053 32.500 0.182 0.000 1.333 363 K HN 0.225 nan 8.250 nan 0.000 0.468 364 T N 1.318 115.860 114.554 -0.020 0.000 2.834 364 T HA 0.292 4.643 4.350 0.001 0.000 0.298 364 T C -2.024 172.402 174.700 -0.456 0.000 0.966 364 T CA -1.452 60.544 62.100 -0.172 0.000 1.141 364 T CB 0.915 69.707 68.868 -0.127 0.000 0.905 364 T HN 0.201 nan 8.240 nan 0.000 0.535 365 P HA 0.205 nan 4.420 nan 0.000 0.268 365 P C -0.463 176.548 177.300 -0.482 0.000 1.204 365 P CA -0.248 62.241 63.100 -1.018 0.000 0.768 365 P CB 0.607 31.910 31.700 -0.663 0.000 0.842 366 L N 2.296 123.310 121.223 -0.350 0.000 2.352 366 L HA 0.733 5.073 4.340 0.001 0.000 0.269 366 L C 0.889 177.847 176.870 0.146 0.000 1.034 366 L CA -0.475 54.315 54.840 -0.083 0.000 0.806 366 L CB 1.479 43.500 42.059 -0.064 0.000 1.244 366 L HN 0.593 nan 8.230 nan 0.000 0.447 367 S N -0.411 115.425 115.700 0.227 0.000 2.663 367 S HA 0.296 4.766 4.470 0.001 0.000 0.264 367 S C 0.327 175.096 174.600 0.283 0.000 1.112 367 S CA -0.987 57.385 58.200 0.287 0.000 0.823 367 S CB 0.569 63.877 63.200 0.179 0.000 1.111 367 S HN 0.497 nan 8.310 nan 0.000 0.476 368 L N 0.751 122.063 121.223 0.149 0.000 2.081 368 L HA -0.145 4.196 4.340 0.001 0.000 0.212 368 L C 2.194 179.120 176.870 0.093 0.000 1.080 368 L CA 1.888 56.799 54.840 0.119 0.000 0.754 368 L CB -1.033 41.035 42.059 0.015 0.000 0.893 368 L HN 0.653 nan 8.230 nan 0.000 0.433 369 N N -0.722 118.012 118.700 0.057 0.000 2.216 369 N HA -0.077 4.664 4.740 0.001 0.000 0.183 369 N C 0.507 176.023 175.510 0.010 0.000 1.017 369 N CA 1.295 54.361 53.050 0.025 0.000 0.861 369 N CB 0.151 38.645 38.487 0.011 0.000 0.986 369 N HN 0.331 nan 8.380 nan 0.000 0.428 370 T N -0.606 113.953 114.554 0.008 0.000 3.331 370 T HA 0.371 4.721 4.350 0.001 0.000 0.381 370 T C -2.920 171.744 174.700 -0.060 0.000 1.656 370 T CA -1.879 60.197 62.100 -0.039 0.000 1.453 370 T CB 1.735 70.564 68.868 -0.066 0.000 1.066 370 T HN -0.053 nan 8.240 nan 0.000 0.655 371 P HA 0.444 nan 4.420 nan 0.000 0.278 371 P C -2.610 174.462 177.300 -0.380 0.000 1.258 371 P CA -1.710 61.253 63.100 -0.229 0.000 0.811 371 P CB 0.791 32.449 31.700 -0.071 0.000 1.063 372 P HA 0.163 nan 4.420 nan 0.000 0.279 372 P C 0.345 177.302 177.300 -0.573 0.000 1.276 372 P CA -0.071 62.703 63.100 -0.544 0.000 0.801 372 P CB 0.349 31.707 31.700 -0.568 0.000 1.127 373 G N -0.142 108.149 108.800 -0.848 0.000 2.594 373 G HA2 0.299 4.259 3.960 0.001 0.000 0.243 373 G HA3 0.299 4.259 3.960 0.001 0.000 0.243 373 G C -0.709 173.790 174.900 -0.668 0.000 1.229 373 G CA -0.065 44.450 45.100 -0.975 0.000 0.843 373 G HN 0.672 nan 8.290 nan 0.000 0.578 374 E N -0.866 119.207 120.200 -0.211 0.000 2.354 374 E HA 0.435 4.785 4.350 0.001 0.000 0.283 374 E C -1.795 174.867 176.600 0.103 0.000 0.938 374 E CA -0.645 55.754 56.400 -0.003 0.000 0.777 374 E CB 2.336 32.021 29.700 -0.025 0.000 1.222 374 E HN 0.293 nan 8.360 nan 0.000 0.423 375 V N 4.670 124.646 119.914 0.104 0.000 2.447 375 V HA 0.303 4.423 4.120 0.001 0.000 0.292 375 V C -0.368 175.729 176.094 0.004 0.000 1.021 375 V CA -0.873 61.466 62.300 0.066 0.000 0.850 375 V CB 1.618 33.483 31.823 0.071 0.000 1.005 375 V HN 0.605 nan 8.190 nan 0.000 0.426 376 K N 4.225 124.633 120.400 0.013 0.000 2.416 376 K HA 0.321 4.642 4.320 0.001 0.000 0.283 376 K C -0.789 175.818 176.600 0.011 0.000 1.037 376 K CA -0.400 55.887 56.287 -0.000 0.000 0.995 376 K CB 0.632 33.133 32.500 0.001 0.000 0.938 376 K HN 0.267 nan 8.250 nan 0.000 0.475 377 L N 2.037 123.258 121.223 -0.004 0.000 2.343 377 L HA 0.303 4.643 4.340 0.001 0.000 0.275 377 L C 0.556 177.463 176.870 0.062 0.000 1.056 377 L CA -0.003 54.860 54.840 0.039 0.000 0.804 377 L CB 1.556 43.623 42.059 0.013 0.000 1.203 377 L HN 0.557 nan 8.230 nan 0.000 0.440 378 T N 3.323 117.932 114.554 0.092 0.000 2.807 378 T HA 0.572 4.922 4.350 0.001 0.000 0.279 378 T C -0.492 174.280 174.700 0.120 0.000 0.993 378 T CA -0.587 61.571 62.100 0.095 0.000 0.970 378 T CB 0.356 69.271 68.868 0.078 0.000 0.950 378 T HN 0.362 nan 8.240 nan 0.000 0.441 379 L N 5.114 126.418 121.223 0.136 0.000 2.325 379 L HA 0.382 4.722 4.340 0.001 0.000 0.284 379 L C 1.761 178.697 176.870 0.110 0.000 1.089 379 L CA -0.695 54.233 54.840 0.147 0.000 0.836 379 L CB 0.799 42.973 42.059 0.191 0.000 1.184 379 L HN 0.925 nan 8.230 nan 0.000 0.444 380 A N 3.135 126.011 122.820 0.093 0.000 2.125 380 A HA -0.048 4.272 4.320 0.001 0.000 0.219 380 A C 1.832 179.452 177.584 0.060 0.000 1.156 380 A CA 1.431 53.510 52.037 0.070 0.000 0.671 380 A CB -0.323 18.713 19.000 0.059 0.000 0.794 380 A HN 0.870 nan 8.150 nan 0.000 0.459 381 G N -2.029 106.809 108.800 0.063 0.000 3.337 381 G HA2 0.288 4.248 3.960 0.001 0.000 0.246 381 G HA3 0.288 4.248 3.960 0.001 0.000 0.246 381 G C 0.160 175.094 174.900 0.057 0.000 1.131 381 G CA 0.399 45.527 45.100 0.048 0.000 0.773 381 G HN 0.433 nan 8.290 nan 0.000 0.544 382 c N 0.337 118.986 118.600 0.081 0.000 2.319 382 c HA 0.659 5.230 4.570 0.001 0.000 0.335 382 c C 1.279 175.423 174.090 0.089 0.000 1.274 382 c CA -0.497 55.890 56.329 0.098 0.000 1.806 382 c CB 1.677 44.272 42.510 0.142 0.000 2.329 382 c HN 0.530 nan 8.230 nan 0.000 0.524 383 E N 2.106 122.356 120.200 0.084 0.000 2.134 383 E HA 0.105 4.456 4.350 0.001 0.000 0.194 383 E C 0.509 177.170 176.600 0.102 0.000 0.937 383 E CA 0.522 56.968 56.400 0.077 0.000 0.874 383 E CB -0.114 29.621 29.700 0.058 0.000 0.853 383 E HN 0.830 nan 8.360 nan 0.000 0.471 384 E N 1.276 121.546 120.200 0.117 0.000 2.265 384 E HA 0.103 4.454 4.350 0.001 0.000 0.272 384 E C -0.582 176.187 176.600 0.282 0.000 1.067 384 E CA 0.065 56.566 56.400 0.168 0.000 0.900 384 E CB 0.343 30.117 29.700 0.123 0.000 1.017 384 E HN 0.053 nan 8.360 nan 0.000 0.431 385 R N 2.918 123.603 120.500 0.307 0.000 2.869 385 R HA 0.359 4.699 4.340 0.001 0.000 0.263 385 R C -0.575 175.791 176.300 0.111 0.000 1.066 385 R CA -1.017 55.273 56.100 0.317 0.000 0.960 385 R CB 1.016 31.397 30.300 0.135 0.000 1.221 385 R HN 0.596 nan 8.270 nan 0.000 0.474 386 N N -0.630 117.895 118.700 -0.292 0.000 2.592 386 N HA 0.305 5.045 4.740 0.001 0.000 0.292 386 N C 0.255 175.546 175.510 -0.365 0.000 1.260 386 N CA -0.563 52.075 53.050 -0.688 0.000 0.910 386 N CB 0.556 38.104 38.487 -1.565 0.000 1.257 386 N HN 0.548 nan 8.380 nan 0.000 0.569 387 A N -1.025 121.586 122.820 -0.349 0.000 2.125 387 A HA -0.148 4.172 4.320 0.001 0.000 0.219 387 A C 1.272 178.726 177.584 -0.217 0.000 1.156 387 A CA 1.107 53.009 52.037 -0.224 0.000 0.671 387 A CB -0.603 18.280 19.000 -0.195 0.000 0.794 387 A HN 0.622 nan 8.150 nan 0.000 0.459 388 Q N -1.583 118.045 119.800 -0.286 0.000 2.392 388 Q HA 0.208 4.548 4.340 0.001 0.000 0.203 388 Q C 1.274 177.164 176.000 -0.183 0.000 0.917 388 Q CA 0.795 56.445 55.803 -0.255 0.000 0.939 388 Q CB -0.126 28.401 28.738 -0.351 0.000 1.063 388 Q HN 1.024 nan 8.270 nan 0.000 0.516 389 G N 0.861 109.573 108.800 -0.148 0.000 2.176 389 G HA2 -0.283 3.677 3.960 0.001 0.000 0.253 389 G HA3 -0.283 3.677 3.960 0.001 0.000 0.253 389 G C 0.256 175.150 174.900 -0.010 0.000 0.979 389 G CA 0.371 45.431 45.100 -0.065 0.000 0.641 389 G HN 0.260 nan 8.290 nan 0.000 0.530 390 M N -0.114 119.473 119.600 -0.022 0.000 2.202 390 M HA 0.477 4.958 4.480 0.001 0.000 0.316 390 M C 1.062 177.529 176.300 0.279 0.000 1.138 390 M CA -0.377 54.990 55.300 0.112 0.000 1.151 390 M CB 1.053 33.727 32.600 0.124 0.000 1.422 390 M HN 0.271 nan 8.290 nan 0.000 0.471 391 c N 1.366 120.162 118.600 0.325 0.000 2.370 391 c HA 0.564 5.134 4.570 0.001 0.000 0.354 391 c C 0.734 175.050 174.090 0.377 0.000 1.218 391 c CA -0.594 55.944 56.329 0.348 0.000 2.154 391 c CB 0.641 43.325 42.510 0.289 0.000 2.391 391 c HN 0.948 nan 8.230 nan 0.000 0.540 392 S N 4.781 120.588 115.700 0.178 0.000 2.600 392 S HA 0.140 4.611 4.470 0.001 0.000 0.265 392 S C 1.025 175.532 174.600 -0.156 0.000 1.325 392 S CA -0.493 57.474 58.200 -0.388 0.000 1.002 392 S CB 0.474 63.326 63.200 -0.581 0.000 0.921 392 S HN 0.875 nan 8.310 nan 0.000 0.554 393 L N 0.652 121.711 121.223 -0.274 0.000 2.141 393 L HA -0.055 4.285 4.340 0.001 0.000 0.209 393 L C 2.700 179.574 176.870 0.006 0.000 1.094 393 L CA 1.656 56.451 54.840 -0.075 0.000 0.763 393 L CB -1.022 40.966 42.059 -0.118 0.000 0.908 393 L HN 0.985 nan 8.230 nan 0.000 0.437 394 A N -0.413 122.361 122.820 -0.077 0.000 1.929 394 A HA -0.052 4.268 4.320 0.001 0.000 0.216 394 A C 2.256 179.844 177.584 0.006 0.000 1.176 394 A CA 1.296 53.312 52.037 -0.036 0.000 0.628 394 A CB -1.020 17.938 19.000 -0.069 0.000 0.816 394 A HN 0.475 nan 8.150 nan 0.000 0.444 395 G N -0.830 107.982 108.800 0.020 0.000 2.453 395 G HA2 -0.242 3.718 3.960 0.001 0.000 0.215 395 G HA3 -0.242 3.718 3.960 0.001 0.000 0.215 395 G C 1.488 176.445 174.900 0.095 0.000 1.201 395 G CA 1.151 46.287 45.100 0.060 0.000 0.784 395 G HN 0.494 nan 8.290 nan 0.000 0.545 396 F N 2.073 122.033 119.950 0.018 0.000 2.091 396 F HA -0.174 4.354 4.527 0.002 0.000 0.299 396 F C 2.893 178.700 175.800 0.011 0.000 1.103 396 F CA 2.367 60.391 58.000 0.040 0.000 1.228 396 F CB -0.528 38.512 39.000 0.067 0.000 0.984 396 F HN 0.137 nan 8.300 nan 0.000 0.477 397 T N 0.132 114.745 114.554 0.098 0.000 2.759 397 T HA -0.282 4.069 4.350 0.001 0.000 0.269 397 T C 1.903 176.531 174.700 -0.121 0.000 1.042 397 T CA 1.686 63.769 62.100 -0.027 0.000 1.140 397 T CB -0.403 68.486 68.868 0.035 0.000 0.864 397 T HN 0.466 nan 8.240 nan 0.000 0.455 398 Q N 0.285 120.039 119.800 -0.077 0.000 2.016 398 Q HA -0.059 4.281 4.340 0.001 0.000 0.200 398 Q C 2.412 178.343 176.000 -0.116 0.000 0.978 398 Q CA 1.244 57.002 55.803 -0.076 0.000 0.833 398 Q CB -0.262 28.453 28.738 -0.038 0.000 0.895 398 Q HN 0.515 nan 8.270 nan 0.000 0.427 399 I N 0.282 120.767 120.570 -0.141 0.000 2.194 399 I HA -0.308 3.862 4.170 0.001 0.000 0.246 399 I C 2.313 178.289 176.117 -0.234 0.000 1.093 399 I CA 0.979 62.182 61.300 -0.162 0.000 1.355 399 I CB -0.291 37.616 38.000 -0.154 0.000 1.046 399 I HN 0.125 nan 8.210 nan 0.000 0.413 400 V N 1.115 120.799 119.914 -0.383 0.000 2.307 400 V HA -0.250 3.871 4.120 0.001 0.000 0.245 400 V C 2.125 178.101 176.094 -0.197 0.000 1.045 400 V CA 1.906 63.994 62.300 -0.354 0.000 1.024 400 V CB -0.751 30.783 31.823 -0.483 0.000 0.651 400 V HN 0.453 nan 8.190 nan 0.000 0.449 401 N N 0.117 118.721 118.700 -0.161 0.000 2.223 401 N HA -0.168 4.572 4.740 0.001 0.000 0.185 401 N C 1.768 177.227 175.510 -0.085 0.000 1.016 401 N CA 1.308 54.294 53.050 -0.106 0.000 0.863 401 N CB -0.187 38.248 38.487 -0.086 0.000 0.983 401 N HN 0.615 nan 8.380 nan 0.000 0.429 402 E N 0.001 120.149 120.200 -0.086 0.000 2.299 402 E HA 0.116 4.467 4.350 0.001 0.000 0.193 402 E C 1.564 178.128 176.600 -0.062 0.000 0.998 402 E CA 0.415 56.776 56.400 -0.064 0.000 0.851 402 E CB 0.154 29.821 29.700 -0.054 0.000 0.795 402 E HN 0.320 nan 8.360 nan 0.000 0.492 403 A N 1.926 124.700 122.820 -0.076 0.000 2.030 403 A HA -0.017 4.304 4.320 0.001 0.000 0.215 403 A C 1.255 178.802 177.584 -0.061 0.000 1.164 403 A CA -0.045 51.953 52.037 -0.064 0.000 0.697 403 A CB -0.217 18.742 19.000 -0.069 0.000 0.827 403 A HN 0.120 nan 8.150 nan 0.000 0.457 404 R N -0.078 120.379 120.500 -0.072 0.000 2.738 404 R HA 0.360 4.700 4.340 0.001 0.000 0.268 404 R C -0.901 175.368 176.300 -0.052 0.000 1.062 404 R CA -0.245 55.817 56.100 -0.064 0.000 1.158 404 R CB 0.357 30.612 30.300 -0.074 0.000 1.046 404 R HN 0.085 nan 8.270 nan 0.000 0.493 405 I N 3.243 123.786 120.570 -0.046 0.000 2.371 405 I HA 0.201 4.372 4.170 0.001 0.000 0.282 405 I C -1.794 174.300 176.117 -0.038 0.000 1.031 405 I CA -3.131 58.145 61.300 -0.040 0.000 1.180 405 I CB 0.956 38.935 38.000 -0.036 0.000 1.336 405 I HN 0.467 nan 8.210 nan 0.000 0.467 406 P HA -0.242 nan 4.420 nan 0.000 0.218 406 P C 1.555 178.836 177.300 -0.032 0.000 1.154 406 P CA 1.908 64.987 63.100 -0.036 0.000 0.872 406 P CB 0.417 32.097 31.700 -0.033 0.000 0.790 407 A N -1.826 120.977 122.820 -0.029 0.000 2.125 407 A HA -0.184 4.137 4.320 0.001 0.000 0.219 407 A C 1.921 179.490 177.584 -0.025 0.000 1.156 407 A CA 1.540 53.562 52.037 -0.025 0.000 0.671 407 A CB -1.469 17.516 19.000 -0.024 0.000 0.794 407 A HN 0.293 nan 8.150 nan 0.000 0.459 408 c N 0.421 119.004 118.600 -0.028 0.000 2.906 408 c HA 0.255 4.825 4.570 0.001 0.000 0.274 408 c C 1.441 175.514 174.090 -0.029 0.000 1.257 408 c CA -0.246 56.068 56.329 -0.026 0.000 1.695 408 c CB -1.695 40.798 42.510 -0.027 0.000 1.958 408 c HN 0.657 nan 8.230 nan 0.000 0.619 409 S N 1.157 116.838 115.700 -0.032 0.000 2.579 409 S HA 0.449 4.919 4.470 0.001 0.000 0.275 409 S C -0.194 174.389 174.600 -0.028 0.000 1.345 409 S CA -0.250 57.929 58.200 -0.034 0.000 1.031 409 S CB 0.776 63.954 63.200 -0.037 0.000 0.892 409 S HN 0.167 nan 8.310 nan 0.000 0.529 410 L N 0.000 121.206 121.223 -0.028 0.000 2.949 410 L HA 0.000 4.340 4.340 0.001 0.000 0.249 410 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 410 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 410 L HN 0.000 nan 8.230 nan 0.000 0.502