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 3ml0_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNLWSTRPER VQEGSTVLIN GPQFGWYNPA YTYGIGLHGA GFDVVGNTPF DATA SEQUENCE AYPIVLFGTN SEIAWGATAG PQDVVDIYQE KLNPSRADQY WFNNAWRTME DATA SEQUENCE QRKERIQVRG QADREMTIWR TVHGPVMQFD YDQGAAYSKK RSWDGYEVQS DATA SEQUENCE LLAWLNVAKA RNWTEFLDQA SKMAISINWY YADKHGNIGY VSPAFLPQRP DATA SEQUENCE ADQDIRVPAK GDGSMEWLGI KSFDAIPKAY NPPQGYLVNW NNKPAPDKTN DATA SEQUENCE TDTYYWTYGD RMNELVSQYQ QKDLFSVQEI WEFNQKASYS DVNWRYFRPH DATA SEQUENCE LEKLAQQLPA DDSSKAALTM LLAWDGMEQD QGGQNAGPAR VLFKTWLEEM DATA SEQUENCE YKQVLMPVVP ESHRAMYSQT GFATQQGPNP GSINLSMGTK VLLRALVLEA DATA SEQUENCE HPDPKRVNVF GERSSQEIMH TALQNAQARL SQEQGAQMAR WTMPTSVHRF DATA SEQUENCE SDKNFTGTPQ TMPGNTFAFT GYQNRGTENN RVVFDAKGVE FcDAMPPGQS DATA SEQUENCE GFTDRNGVRS PHYEDQLKLY ENFEcKTMDV THADIRRNAQ SSTMLLIQPQ DATA SEQUENCE P 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.585 174.600 -0.025 0.000 1.055 1 S CA 0.000 58.207 58.200 0.012 0.000 1.107 1 S CB 0.000 63.170 63.200 -0.050 0.000 0.593 2 N N 2.414 120.881 118.700 -0.390 0.000 2.361 2 N HA 0.813 5.552 4.740 -0.001 0.000 0.302 2 N C -1.032 174.317 175.510 -0.269 0.000 1.074 2 N CA -0.823 51.907 53.050 -0.534 0.000 0.850 2 N CB 1.642 39.315 38.487 -1.356 0.000 1.228 2 N HN 0.649 nan 8.380 nan 0.000 0.491 3 L N 0.814 121.951 121.223 -0.144 0.000 2.493 3 L HA 0.676 5.016 4.340 -0.001 0.000 0.265 3 L C -2.104 174.763 176.870 -0.006 0.000 0.954 3 L CA -0.768 53.898 54.840 -0.289 0.000 0.844 3 L CB 1.353 43.051 42.059 -0.602 0.000 1.302 3 L HN 0.886 nan 8.230 nan 0.000 0.405 4 W N 3.360 124.559 121.300 -0.168 0.000 2.647 4 W HA 0.794 5.454 4.660 -0.001 0.000 0.328 4 W C -1.409 175.082 176.519 -0.046 0.000 1.018 4 W CA -0.734 56.569 57.345 -0.070 0.000 1.245 4 W CB 1.080 30.552 29.460 0.020 0.000 1.356 4 W HN 0.324 nan 8.180 nan 0.000 0.443 5 S N 2.295 118.044 115.700 0.083 0.000 2.565 5 S HA 0.760 5.230 4.470 -0.001 0.000 0.290 5 S C -0.202 174.476 174.600 0.129 0.000 1.150 5 S CA -0.664 57.569 58.200 0.054 0.000 1.058 5 S CB 1.560 64.806 63.200 0.078 0.000 1.032 5 S HN 0.503 nan 8.310 nan 0.000 0.510 6 T N 0.115 114.738 114.554 0.115 0.000 2.861 6 T HA 0.604 4.953 4.350 -0.001 0.000 0.287 6 T C -0.548 174.219 174.700 0.112 0.000 1.003 6 T CA -0.955 61.236 62.100 0.153 0.000 0.977 6 T CB 1.372 70.343 68.868 0.172 0.000 0.996 6 T HN 0.511 nan 8.240 nan 0.000 0.448 7 R N 2.888 123.455 120.500 0.112 0.000 2.404 7 R HA 0.391 4.730 4.340 -0.001 0.000 0.291 7 R C -1.562 174.789 176.300 0.085 0.000 1.025 7 R CA -2.388 53.755 56.100 0.071 0.000 0.991 7 R CB 0.756 31.079 30.300 0.038 0.000 1.053 7 R HN 0.379 nan 8.270 nan 0.000 0.479 8 P HA -0.237 nan 4.420 nan 0.000 0.219 8 P C 0.163 177.501 177.300 0.064 0.000 1.144 8 P CA 1.471 64.611 63.100 0.067 0.000 0.806 8 P CB 0.044 31.776 31.700 0.055 0.000 0.771 9 E N -0.237 119.999 120.200 0.060 0.000 2.274 9 E HA -0.116 4.234 4.350 -0.001 0.000 0.194 9 E C 1.667 178.315 176.600 0.079 0.000 0.996 9 E CA 0.504 56.938 56.400 0.057 0.000 0.840 9 E CB -0.321 29.405 29.700 0.044 0.000 0.772 9 E HN 0.142 nan 8.360 nan 0.000 0.491 10 R N 0.948 121.518 120.500 0.116 0.000 2.362 10 R HA 0.250 4.590 4.340 -0.001 0.000 0.227 10 R C -0.141 176.263 176.300 0.173 0.000 0.905 10 R CA 0.036 56.237 56.100 0.167 0.000 1.067 10 R CB 1.111 31.565 30.300 0.257 0.000 1.078 10 R HN 0.040 nan 8.270 nan 0.000 0.516 11 V N 1.377 121.367 119.914 0.127 0.000 2.547 11 V HA 0.151 4.270 4.120 -0.001 0.000 0.299 11 V C 1.370 177.507 176.094 0.071 0.000 1.040 11 V CA -0.556 61.812 62.300 0.114 0.000 0.913 11 V CB 2.200 34.083 31.823 0.100 0.000 0.992 11 V HN 0.095 nan 8.190 nan 0.000 0.449 12 Q N 2.262 122.098 119.800 0.060 0.000 1.993 12 Q HA -0.181 4.159 4.340 -0.001 0.000 0.202 12 Q C 1.785 177.802 176.000 0.029 0.000 0.984 12 Q CA 1.959 57.780 55.803 0.031 0.000 0.837 12 Q CB 0.021 28.773 28.738 0.024 0.000 0.902 12 Q HN 0.914 nan 8.270 nan 0.000 0.423 13 E N -0.110 120.110 120.200 0.033 0.000 2.482 13 E HA 0.007 4.356 4.350 -0.001 0.000 0.196 13 E C 0.637 177.257 176.600 0.032 0.000 1.047 13 E CA 0.821 57.237 56.400 0.027 0.000 0.869 13 E CB 0.051 29.764 29.700 0.021 0.000 0.836 13 E HN 0.408 nan 8.360 nan 0.000 0.520 14 G N 1.983 110.809 108.800 0.042 0.000 2.368 14 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.290 14 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.290 14 G C -0.064 174.869 174.900 0.054 0.000 1.098 14 G CA 0.442 45.570 45.100 0.047 0.000 1.073 14 G HN 0.580 nan 8.290 nan 0.000 0.511 15 S N -0.934 114.804 115.700 0.063 0.000 2.538 15 S HA 0.764 5.233 4.470 -0.001 0.000 0.288 15 S C -0.125 174.535 174.600 0.099 0.000 1.108 15 S CA -0.214 58.035 58.200 0.081 0.000 0.971 15 S CB 2.175 65.411 63.200 0.061 0.000 1.041 15 S HN 0.732 nan 8.310 nan 0.000 0.483 16 T N 2.747 117.391 114.554 0.149 0.000 2.769 16 T HA 0.389 4.738 4.350 -0.001 0.000 0.293 16 T C -0.196 174.603 174.700 0.164 0.000 0.931 16 T CA -0.311 61.889 62.100 0.166 0.000 1.139 16 T CB 0.029 69.010 68.868 0.189 0.000 0.881 16 T HN 0.592 nan 8.240 nan 0.000 0.532 17 V N 5.591 125.556 119.914 0.086 0.000 2.409 17 V HA 0.469 4.589 4.120 -0.001 0.000 0.291 17 V C -0.172 175.911 176.094 -0.019 0.000 1.020 17 V CA -0.886 61.423 62.300 0.015 0.000 0.848 17 V CB 1.569 33.393 31.823 0.003 0.000 0.990 17 V HN 0.765 nan 8.190 nan 0.000 0.430 18 L N 6.918 128.101 121.223 -0.065 0.000 2.319 18 L HA 0.690 5.029 4.340 -0.001 0.000 0.281 18 L C -0.953 175.759 176.870 -0.263 0.000 1.005 18 L CA -0.187 54.575 54.840 -0.130 0.000 0.828 18 L CB 1.038 43.080 42.059 -0.029 0.000 1.227 18 L HN 0.572 nan 8.230 nan 0.000 0.415 19 I N 4.702 124.961 120.570 -0.517 0.000 2.406 19 I HA 0.435 4.605 4.170 -0.001 0.000 0.290 19 I C -0.615 174.980 176.117 -0.870 0.000 0.999 19 I CA -0.521 60.358 61.300 -0.701 0.000 1.124 19 I CB 1.764 39.195 38.000 -0.948 0.000 1.289 19 I HN 0.556 nan 8.210 nan 0.000 0.441 20 N N 3.989 122.355 118.700 -0.555 0.000 2.269 20 N HA 0.658 5.397 4.740 -0.001 0.000 0.304 20 N C -0.571 174.686 175.510 -0.422 0.000 1.072 20 N CA -0.570 52.196 53.050 -0.473 0.000 0.802 20 N CB 2.339 40.663 38.487 -0.271 0.000 1.348 20 N HN 0.712 nan 8.380 nan 0.000 0.484 21 G N 2.597 111.162 108.800 -0.391 0.000 4.332 21 G HA2 0.282 4.242 3.960 -0.001 0.000 0.321 21 G HA3 0.282 4.242 3.960 -0.001 0.000 0.321 21 G C -2.790 171.916 174.900 -0.322 0.000 1.439 21 G CA -0.992 43.928 45.100 -0.300 0.000 0.900 21 G HN 0.426 nan 8.290 nan 0.000 0.515 22 P HA 0.124 nan 4.420 nan 0.000 0.276 22 P C -0.416 176.463 177.300 -0.703 0.000 1.253 22 P CA 0.131 62.917 63.100 -0.524 0.000 0.766 22 P CB 1.171 32.575 31.700 -0.494 0.000 0.845 23 Q N 2.858 122.219 119.800 -0.731 0.000 2.372 23 Q HA 0.374 4.714 4.340 -0.001 0.000 0.259 23 Q C -0.889 174.605 176.000 -0.843 0.000 0.993 23 Q CA -0.630 54.735 55.803 -0.730 0.000 0.854 23 Q CB 0.618 29.101 28.738 -0.425 0.000 1.231 23 Q HN 0.314 nan 8.270 nan 0.000 0.462 24 F N 1.345 120.985 119.950 -0.516 0.000 2.682 24 F HA 0.460 4.987 4.527 -0.000 0.000 0.308 24 F C 1.026 176.539 175.800 -0.478 0.000 1.093 24 F CA 0.252 57.957 58.000 -0.491 0.000 1.244 24 F CB 1.249 39.750 39.000 -0.832 0.000 1.052 24 F HN 0.895 nan 8.300 nan 0.000 0.573 25 G N -0.362 108.041 108.800 -0.661 0.000 2.617 25 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.686 25 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.686 25 G C -1.140 173.001 174.900 -1.265 0.000 1.214 25 G CA -1.425 43.178 45.100 -0.829 0.000 0.796 25 G HN 0.071 nan 8.290 nan 0.000 0.654 26 W N 1.117 121.872 121.300 -0.907 0.000 2.335 26 W HA 0.620 5.279 4.660 -0.001 0.000 0.307 26 W C -0.632 175.503 176.519 -0.641 0.000 1.117 26 W CA -0.423 56.492 57.345 -0.715 0.000 1.228 26 W CB 1.099 29.981 29.460 -0.963 0.000 1.240 26 W HN 0.486 nan 8.180 nan 0.000 0.468 27 Y N 1.272 121.831 120.300 0.431 0.000 2.576 27 Y HA 0.243 4.793 4.550 0.000 0.000 0.346 27 Y C -0.097 176.059 175.900 0.427 0.000 1.018 27 Y CA -1.469 56.869 58.100 0.397 0.000 1.050 27 Y CB 1.537 40.175 38.460 0.295 0.000 1.280 27 Y HN 0.266 nan 8.280 nan 0.000 0.474 28 N N 1.985 120.996 118.700 0.518 0.000 2.407 28 N HA 0.550 5.289 4.740 -0.001 0.000 0.277 28 N C -3.116 172.550 175.510 0.260 0.000 0.995 28 N CA -2.219 51.052 53.050 0.369 0.000 0.903 28 N CB 1.845 40.609 38.487 0.462 0.000 1.218 28 N HN 0.148 nan 8.380 nan 0.000 0.487 29 P HA 0.213 nan 4.420 nan 0.000 0.275 29 P C -0.849 176.505 177.300 0.090 0.000 1.266 29 P CA -0.556 62.571 63.100 0.044 0.000 0.793 29 P CB 0.340 32.028 31.700 -0.021 0.000 1.074 30 A N 0.083 122.916 122.820 0.021 0.000 2.587 30 A HA -0.116 4.203 4.320 -0.001 0.000 0.235 30 A C 0.855 178.500 177.584 0.102 0.000 1.044 30 A CA 0.307 52.395 52.037 0.086 0.000 0.754 30 A CB -1.017 17.989 19.000 0.010 0.000 0.968 30 A HN 0.687 nan 8.150 nan 0.000 0.509 31 Y N 2.351 122.675 120.300 0.040 0.000 2.242 31 Y HA -0.044 4.506 4.550 -0.001 0.000 0.291 31 Y C 1.740 177.564 175.900 -0.127 0.000 1.137 31 Y CA 2.056 60.111 58.100 -0.075 0.000 1.181 31 Y CB 0.046 38.537 38.460 0.050 0.000 0.989 31 Y HN 0.731 nan 8.280 nan 0.000 0.527 32 T N -1.925 112.706 114.554 0.129 0.000 2.902 32 T HA 0.299 4.648 4.350 -0.001 0.000 0.283 32 T C -1.391 173.367 174.700 0.097 0.000 1.009 32 T CA -0.555 61.614 62.100 0.114 0.000 1.051 32 T CB 1.679 70.689 68.868 0.238 0.000 0.999 32 T HN 0.157 nan 8.240 nan 0.000 0.474 33 Y N 0.958 121.229 120.300 -0.049 0.000 2.350 33 Y HA 0.570 5.120 4.550 -0.000 0.000 0.338 33 Y C 0.288 176.177 175.900 -0.019 0.000 0.961 33 Y CA -0.668 57.399 58.100 -0.054 0.000 1.100 33 Y CB 1.385 39.785 38.460 -0.100 0.000 1.179 33 Y HN 1.101 nan 8.280 nan 0.000 0.454 34 G N 5.643 114.199 108.800 -0.407 0.000 2.390 34 G HA2 0.483 4.443 3.960 -0.001 0.000 0.270 34 G HA3 0.483 4.443 3.960 -0.001 0.000 0.270 34 G C -1.624 173.113 174.900 -0.271 0.000 1.211 34 G CA -0.221 44.730 45.100 -0.249 0.000 0.842 34 G HN 0.615 nan 8.290 nan 0.000 0.519 35 I N 0.824 121.337 120.570 -0.094 0.000 2.841 35 I HA 0.691 4.861 4.170 -0.001 0.000 0.298 35 I C -0.142 175.913 176.117 -0.103 0.000 1.304 35 I CA -0.703 60.568 61.300 -0.048 0.000 1.019 35 I CB 2.396 40.433 38.000 0.062 0.000 1.282 35 I HN 0.630 nan 8.210 nan 0.000 0.432 36 G N 7.449 116.184 108.800 -0.109 0.000 2.660 36 G HA2 0.602 4.562 3.960 -0.001 0.000 0.305 36 G HA3 0.602 4.562 3.960 -0.001 0.000 0.305 36 G C -1.366 173.284 174.900 -0.417 0.000 1.329 36 G CA -0.442 44.520 45.100 -0.228 0.000 1.000 36 G HN 0.550 nan 8.290 nan 0.000 0.514 37 L N 2.742 123.670 121.223 -0.490 0.000 2.264 37 L HA 0.489 4.829 4.340 -0.001 0.000 0.289 37 L C -0.414 176.148 176.870 -0.513 0.000 1.044 37 L CA -0.835 53.779 54.840 -0.378 0.000 0.807 37 L CB 1.125 43.043 42.059 -0.235 0.000 1.192 37 L HN 0.555 nan 8.230 nan 0.000 0.425 38 H N 1.794 120.912 119.070 0.081 0.000 2.667 38 H HA 0.779 5.335 4.556 -0.001 0.000 0.353 38 H C 0.260 175.692 175.328 0.174 0.000 1.072 38 H CA -0.316 55.823 56.048 0.151 0.000 1.214 38 H CB 2.046 31.895 29.762 0.144 0.000 1.600 38 H HN 0.800 nan 8.280 nan 0.000 0.527 39 G N 0.821 109.803 108.800 0.303 0.000 2.555 39 G HA2 0.348 4.308 3.960 -0.001 0.000 0.686 39 G HA3 0.348 4.308 3.960 -0.001 0.000 0.686 39 G C 0.152 175.184 174.900 0.220 0.000 1.275 39 G CA -0.357 44.872 45.100 0.215 0.000 0.871 39 G HN 1.583 nan 8.290 nan 0.000 0.603 40 A N -1.184 121.729 122.820 0.156 0.000 2.822 40 A HA 0.379 4.699 4.320 -0.001 0.000 0.287 40 A C 2.299 179.942 177.584 0.099 0.000 1.479 40 A CA 2.061 54.187 52.037 0.149 0.000 0.779 40 A CB -1.579 17.541 19.000 0.200 0.000 1.022 40 A HN 3.372 nan 8.150 nan 0.000 0.532 41 G N -3.267 105.547 108.800 0.023 0.000 2.317 41 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.227 41 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.227 41 G C 0.140 174.929 174.900 -0.185 0.000 1.042 41 G CA 0.349 45.366 45.100 -0.139 0.000 0.623 41 G HN 1.348 nan 8.290 nan 0.000 0.509 42 F N 1.435 121.414 119.950 0.048 0.000 2.399 42 F HA 0.617 5.144 4.527 -0.000 0.000 0.342 42 F C 0.618 176.462 175.800 0.074 0.000 1.106 42 F CA -0.020 58.007 58.000 0.045 0.000 1.196 42 F CB 1.435 40.444 39.000 0.014 0.000 1.163 42 F HN -0.012 nan 8.300 nan 0.000 0.547 43 D N 2.269 122.824 120.400 0.258 0.000 3.118 43 D HA 0.229 4.869 4.640 -0.001 0.000 0.286 43 D C -1.269 175.114 176.300 0.138 0.000 1.255 43 D CA -0.027 54.102 54.000 0.215 0.000 0.748 43 D CB 0.481 41.438 40.800 0.262 0.000 1.332 43 D HN 0.234 nan 8.370 nan 0.000 0.575 44 V N -1.407 118.530 119.914 0.039 0.000 2.994 44 V HA 0.894 5.013 4.120 -0.001 0.000 0.318 44 V C -0.395 175.595 176.094 -0.173 0.000 1.085 44 V CA -0.865 61.457 62.300 0.035 0.000 0.998 44 V CB 2.108 34.061 31.823 0.216 0.000 1.063 44 V HN -0.014 nan 8.190 nan 0.000 0.447 45 V N 2.189 121.959 119.914 -0.239 0.000 2.777 45 V HA 0.978 5.097 4.120 -0.001 0.000 0.306 45 V C 0.101 175.781 176.094 -0.690 0.000 1.112 45 V CA 0.897 62.966 62.300 -0.384 0.000 0.917 45 V CB 1.332 32.955 31.823 -0.334 0.000 1.018 45 V HN 2.000 nan 8.190 nan 0.000 0.426 46 G N 5.197 113.668 108.800 -0.549 0.000 2.398 46 G HA2 0.277 4.237 3.960 -0.001 0.000 0.251 46 G HA3 0.277 4.237 3.960 -0.001 0.000 0.251 46 G C -1.580 173.281 174.900 -0.066 0.000 1.277 46 G CA -0.118 44.682 45.100 -0.500 0.000 0.927 46 G HN 1.682 nan 8.290 nan 0.000 0.477 47 N N -1.376 117.397 118.700 0.122 0.000 2.284 47 N HA 0.728 5.467 4.740 -0.001 0.000 0.289 47 N C -0.989 174.665 175.510 0.241 0.000 1.179 47 N CA -0.163 52.990 53.050 0.171 0.000 0.774 47 N CB 2.435 41.043 38.487 0.201 0.000 1.548 47 N HN 0.730 nan 8.380 nan 0.000 0.473 48 T N -0.056 114.598 114.554 0.167 0.000 2.912 48 T HA 0.573 4.922 4.350 -0.001 0.000 0.299 48 T C -2.993 171.734 174.700 0.044 0.000 1.052 48 T CA -1.851 60.299 62.100 0.083 0.000 0.996 48 T CB 1.226 70.086 68.868 -0.014 0.000 1.070 48 T HN 0.487 nan 8.240 nan 0.000 0.465 49 P HA 0.211 nan 4.420 nan 0.000 0.270 49 P C 0.524 177.459 177.300 -0.607 0.000 1.223 49 P CA 0.040 63.037 63.100 -0.171 0.000 0.785 49 P CB 0.161 31.836 31.700 -0.043 0.000 0.923 50 F N -0.605 118.838 119.950 -0.845 0.000 2.697 50 F HA -0.313 4.213 4.527 -0.001 0.000 0.250 50 F C 0.955 176.356 175.800 -0.665 0.000 1.066 50 F CA 2.280 59.800 58.000 -0.800 0.000 1.366 50 F CB -1.892 36.562 39.000 -0.911 0.000 2.184 50 F HN 0.510 nan 8.300 nan 0.000 0.407 51 A N -0.380 122.173 122.820 -0.446 0.000 2.815 51 A HA 0.648 4.968 4.320 -0.001 0.000 0.318 51 A C -1.765 175.653 177.584 -0.276 0.000 1.186 51 A CA -0.326 51.493 52.037 -0.363 0.000 0.754 51 A CB -0.133 18.698 19.000 -0.282 0.000 1.151 51 A HN 0.409 nan 8.150 nan 0.000 0.452 52 Y N 0.916 121.157 120.300 -0.099 0.000 2.361 52 Y HA 0.480 5.030 4.550 -0.001 0.000 0.332 52 Y C -1.659 174.158 175.900 -0.138 0.000 1.101 52 Y CA -2.565 55.453 58.100 -0.138 0.000 1.137 52 Y CB 0.591 38.934 38.460 -0.196 0.000 1.207 52 Y HN 0.395 nan 8.280 nan 0.000 0.463 53 P HA -0.106 nan 4.420 nan 0.000 0.223 53 P C 0.217 177.456 177.300 -0.101 0.000 1.144 53 P CA 1.135 64.196 63.100 -0.066 0.000 0.783 53 P CB 0.128 31.785 31.700 -0.071 0.000 0.771 54 I N -3.316 117.212 120.570 -0.069 0.000 2.970 54 I HA 0.376 4.546 4.170 -0.001 0.000 0.310 54 I C -0.256 175.813 176.117 -0.080 0.000 1.010 54 I CA -1.435 59.803 61.300 -0.105 0.000 1.228 54 I CB 1.451 39.339 38.000 -0.188 0.000 1.433 54 I HN -0.395 nan 8.210 nan 0.000 0.573 55 V N 2.487 122.383 119.914 -0.031 0.000 2.376 55 V HA 0.357 4.476 4.120 -0.001 0.000 0.287 55 V C 0.386 176.572 176.094 0.153 0.000 1.015 55 V CA -0.590 61.756 62.300 0.076 0.000 0.834 55 V CB 0.923 32.874 31.823 0.213 0.000 1.001 55 V HN 0.868 nan 8.190 nan 0.000 0.428 56 L N 3.601 124.726 121.223 -0.162 0.000 2.131 56 L HA 0.343 4.683 4.340 -0.001 0.000 0.206 56 L C 0.291 177.059 176.870 -0.171 0.000 1.087 56 L CA 1.772 56.394 54.840 -0.363 0.000 0.767 56 L CB -0.135 41.261 42.059 -1.106 0.000 0.917 56 L HN 0.677 nan 8.230 nan 0.000 0.441 57 F N -0.960 119.201 119.950 0.351 0.000 2.553 57 F HA 0.702 5.228 4.527 -0.001 0.000 0.335 57 F C 0.491 176.249 175.800 -0.070 0.000 1.148 57 F CA -0.909 57.183 58.000 0.154 0.000 0.963 57 F CB 1.000 40.122 39.000 0.204 0.000 1.217 57 F HN -0.082 nan 8.300 nan 0.000 0.441 58 G N 0.521 109.074 108.800 -0.410 0.000 2.325 58 G HA2 0.491 4.451 3.960 -0.001 0.000 0.295 58 G HA3 0.491 4.451 3.960 -0.001 0.000 0.295 58 G C -1.780 172.368 174.900 -1.254 0.000 1.274 58 G CA -0.507 44.183 45.100 -0.683 0.000 0.857 58 G HN 0.637 nan 8.290 nan 0.000 0.499 59 T N -0.791 113.170 114.554 -0.989 0.000 2.883 59 T HA 0.520 4.870 4.350 -0.001 0.000 0.301 59 T C -0.477 174.081 174.700 -0.237 0.000 1.158 59 T CA 0.039 61.738 62.100 -0.667 0.000 1.007 59 T CB 1.523 70.237 68.868 -0.256 0.000 1.186 59 T HN 1.089 nan 8.240 nan 0.000 0.499 60 N N 1.400 120.178 118.700 0.129 0.000 2.275 60 N HA 0.198 4.938 4.740 -0.001 0.000 0.236 60 N C 0.481 176.105 175.510 0.189 0.000 1.154 60 N CA 0.160 53.353 53.050 0.239 0.000 0.866 60 N CB 0.040 38.768 38.487 0.401 0.000 1.093 60 N HN 0.614 nan 8.380 nan 0.000 0.515 61 S N -1.189 114.608 115.700 0.162 0.000 2.608 61 S HA -0.172 4.298 4.470 -0.001 0.000 0.256 61 S C 0.918 175.668 174.600 0.251 0.000 1.270 61 S CA 1.481 59.796 58.200 0.191 0.000 1.465 61 S CB -0.858 62.425 63.200 0.139 0.000 1.833 61 S HN 0.554 nan 8.310 nan 0.000 0.641 62 E N -0.003 120.333 120.200 0.226 0.000 2.228 62 E HA 0.367 4.717 4.350 -0.001 0.000 0.197 62 E C 0.697 177.322 176.600 0.040 0.000 0.909 62 E CA 1.086 57.561 56.400 0.125 0.000 0.911 62 E CB 0.270 30.054 29.700 0.141 0.000 0.887 62 E HN 0.774 nan 8.360 nan 0.000 0.481 63 I N -1.952 118.739 120.570 0.202 0.000 2.686 63 I HA 0.686 4.855 4.170 -0.001 0.000 0.295 63 I C -0.534 175.796 176.117 0.356 0.000 1.114 63 I CA -1.327 60.062 61.300 0.147 0.000 1.038 63 I CB 2.127 40.179 38.000 0.088 0.000 1.238 63 I HN -0.135 nan 8.210 nan 0.000 0.420 64 A N 3.530 126.519 122.820 0.281 0.000 2.248 64 A HA 0.982 5.302 4.320 -0.001 0.000 0.316 64 A C -1.493 176.290 177.584 0.332 0.000 1.101 64 A CA -0.459 51.645 52.037 0.111 0.000 0.875 64 A CB 0.761 19.829 19.000 0.114 0.000 1.207 64 A HN 1.195 nan 8.150 nan 0.000 0.504 65 W N -1.487 119.956 121.300 0.238 0.000 3.479 65 W HA 0.639 5.298 4.660 -0.001 0.000 0.304 65 W C -0.263 176.491 176.519 0.392 0.000 1.243 65 W CA -0.273 57.263 57.345 0.318 0.000 1.202 65 W CB 0.481 30.137 29.460 0.327 0.000 1.346 65 W HN 0.958 nan 8.180 nan 0.000 0.539 66 G N 0.603 109.817 108.800 0.689 0.000 3.107 66 G HA2 0.994 4.954 3.960 -0.001 0.000 0.232 66 G HA3 0.994 4.954 3.960 -0.001 0.000 0.232 66 G C -1.283 174.211 174.900 0.989 0.000 1.339 66 G CA -0.572 44.944 45.100 0.693 0.000 1.033 66 G HN 1.574 nan 8.290 nan 0.000 0.567 67 A N -1.629 121.772 122.820 0.968 0.000 2.590 67 A HA 0.820 5.140 4.320 -0.001 0.000 0.294 67 A C -0.259 177.814 177.584 0.814 0.000 1.046 67 A CA 0.297 52.968 52.037 1.057 0.000 0.684 67 A CB 1.063 20.732 19.000 1.116 0.000 1.279 67 A HN 1.776 nan 8.150 nan 0.000 0.415 68 T N -1.241 113.755 114.554 0.737 0.000 2.654 68 T HA 0.872 5.222 4.350 -0.001 0.000 0.289 68 T C 0.247 175.188 174.700 0.403 0.000 1.062 68 T CA -0.123 62.266 62.100 0.481 0.000 1.041 68 T CB 0.930 70.067 68.868 0.448 0.000 1.417 68 T HN 2.253 nan 8.240 nan 0.000 0.510 69 A N 0.111 123.100 122.820 0.281 0.000 2.388 69 A HA 0.666 4.986 4.320 -0.001 0.000 0.257 69 A C 0.902 178.592 177.584 0.176 0.000 1.095 69 A CA -0.133 52.043 52.037 0.232 0.000 0.791 69 A CB -0.568 18.537 19.000 0.174 0.000 1.029 69 A HN 1.318 nan 8.150 nan 0.000 0.489 70 G N 1.907 110.809 108.800 0.170 0.000 2.334 70 G HA2 0.442 4.401 3.960 -0.001 0.000 0.261 70 G HA3 0.442 4.401 3.960 -0.001 0.000 0.261 70 G C -1.781 173.187 174.900 0.113 0.000 1.257 70 G CA -0.726 44.450 45.100 0.127 0.000 0.935 70 G HN 0.539 nan 8.290 nan 0.000 0.480 71 P HA 0.135 nan 4.420 nan 0.000 0.269 71 P C 0.005 177.482 177.300 0.295 0.000 1.478 71 P CA 0.151 63.357 63.100 0.176 0.000 1.045 71 P CB 0.710 32.475 31.700 0.109 0.000 1.512 72 Q N -0.072 119.853 119.800 0.208 0.000 2.348 72 Q HA 0.376 4.716 4.340 -0.001 0.000 0.271 72 Q C -1.022 175.082 176.000 0.173 0.000 1.067 72 Q CA -0.778 55.126 55.803 0.168 0.000 0.839 72 Q CB 1.655 30.436 28.738 0.072 0.000 1.354 72 Q HN -0.152 nan 8.270 nan 0.000 0.447 73 D N 0.776 121.260 120.400 0.140 0.000 2.277 73 D HA 0.205 4.845 4.640 -0.001 0.000 0.249 73 D C 0.212 176.590 176.300 0.130 0.000 1.134 73 D CA -0.130 53.949 54.000 0.132 0.000 0.863 73 D CB 1.338 42.199 40.800 0.101 0.000 1.143 73 D HN 0.361 nan 8.370 nan 0.000 0.458 74 V N 1.247 121.272 119.914 0.185 0.000 3.497 74 V HA 0.315 4.434 4.120 -0.001 0.000 0.272 74 V C 0.231 176.506 176.094 0.302 0.000 1.474 74 V CA -0.208 62.227 62.300 0.225 0.000 1.025 74 V CB 0.178 32.194 31.823 0.321 0.000 0.820 74 V HN 0.263 nan 8.190 nan 0.000 0.437 75 V N 2.658 122.743 119.914 0.285 0.000 2.384 75 V HA 0.650 4.770 4.120 -0.001 0.000 0.287 75 V C -1.209 175.010 176.094 0.209 0.000 1.020 75 V CA -0.180 62.281 62.300 0.269 0.000 0.850 75 V CB 1.326 33.289 31.823 0.233 0.000 0.987 75 V HN 0.351 nan 8.190 nan 0.000 0.436 76 D N 3.874 124.404 120.400 0.218 0.000 2.350 76 D HA 0.589 5.228 4.640 -0.001 0.000 0.245 76 D C -0.475 175.726 176.300 -0.166 0.000 1.036 76 D CA -0.219 53.776 54.000 -0.009 0.000 0.848 76 D CB 2.597 43.353 40.800 -0.074 0.000 1.307 76 D HN 0.332 nan 8.370 nan 0.000 0.469 77 I N 2.215 122.638 120.570 -0.245 0.000 2.336 77 I HA 0.235 4.405 4.170 -0.001 0.000 0.292 77 I C -0.714 175.179 176.117 -0.374 0.000 0.991 77 I CA -0.712 60.472 61.300 -0.194 0.000 1.227 77 I CB 0.749 38.703 38.000 -0.078 0.000 1.366 77 I HN 0.177 nan 8.210 nan 0.000 0.466 78 Y N 4.227 124.377 120.300 -0.250 0.000 2.341 78 Y HA 0.298 4.848 4.550 -0.001 0.000 0.337 78 Y C 0.065 175.813 175.900 -0.254 0.000 1.014 78 Y CA -0.810 57.073 58.100 -0.363 0.000 1.111 78 Y CB 1.484 39.416 38.460 -0.879 0.000 1.194 78 Y HN 0.454 nan 8.280 nan 0.000 0.462 79 Q N 1.343 121.108 119.800 -0.060 0.000 2.360 79 Q HA 0.446 4.786 4.340 -0.001 0.000 0.254 79 Q C -1.211 174.700 176.000 -0.149 0.000 0.975 79 Q CA -0.894 54.781 55.803 -0.214 0.000 0.912 79 Q CB 1.164 29.764 28.738 -0.230 0.000 1.212 79 Q HN 0.486 nan 8.270 nan 0.000 0.452 80 E N 2.197 122.283 120.200 -0.188 0.000 2.283 80 E HA 0.128 4.477 4.350 -0.001 0.000 0.278 80 E C -0.962 175.652 176.600 0.023 0.000 1.027 80 E CA -0.456 55.933 56.400 -0.019 0.000 0.843 80 E CB 1.109 30.770 29.700 -0.064 0.000 1.062 80 E HN 0.398 nan 8.360 nan 0.000 0.401 81 K N 3.852 124.355 120.400 0.172 0.000 2.278 81 K HA 0.141 4.461 4.320 -0.001 0.000 0.289 81 K C -0.541 176.264 176.600 0.341 0.000 1.080 81 K CA -0.167 56.228 56.287 0.180 0.000 0.934 81 K CB 0.033 32.619 32.500 0.143 0.000 1.093 81 K HN 0.474 nan 8.250 nan 0.000 0.459 82 L N 3.126 124.479 121.223 0.218 0.000 2.452 82 L HA 0.065 4.404 4.340 -0.001 0.000 0.267 82 L C 0.970 177.990 176.870 0.250 0.000 1.188 82 L CA -0.377 54.609 54.840 0.243 0.000 0.821 82 L CB 0.349 42.471 42.059 0.106 0.000 1.102 82 L HN 0.643 nan 8.230 nan 0.000 0.470 83 N N 3.647 122.390 118.700 0.072 0.000 2.475 83 N HA 0.056 4.796 4.740 -0.001 0.000 0.267 83 N C -1.633 173.800 175.510 -0.129 0.000 1.169 83 N CA -1.177 51.687 53.050 -0.310 0.000 0.947 83 N CB 1.410 39.425 38.487 -0.787 0.000 1.061 83 N HN 0.344 nan 8.380 nan 0.000 0.466 84 P HA -0.058 nan 4.420 nan 0.000 0.228 84 P C 0.870 178.133 177.300 -0.061 0.000 1.151 84 P CA 0.750 63.831 63.100 -0.032 0.000 0.770 84 P CB 0.554 32.251 31.700 -0.005 0.000 0.786 85 S N -1.300 114.325 115.700 -0.126 0.000 2.506 85 S HA 0.102 4.572 4.470 -0.001 0.000 0.230 85 S C 1.032 175.562 174.600 -0.117 0.000 1.066 85 S CA -0.266 57.865 58.200 -0.115 0.000 0.940 85 S CB 0.027 63.145 63.200 -0.137 0.000 0.818 85 S HN 0.019 nan 8.310 nan 0.000 0.518 86 R N -0.025 120.378 120.500 -0.161 0.000 2.534 86 R HA 0.667 5.007 4.340 -0.001 0.000 0.301 86 R C 0.521 176.767 176.300 -0.090 0.000 0.961 86 R CA 0.179 56.202 56.100 -0.128 0.000 0.871 86 R CB 1.284 31.491 30.300 -0.155 0.000 1.170 86 R HN 0.144 nan 8.270 nan 0.000 0.446 87 A N 3.067 125.849 122.820 -0.064 0.000 2.014 87 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 87 A C 1.069 178.603 177.584 -0.084 0.000 1.163 87 A CA 1.532 53.555 52.037 -0.023 0.000 0.652 87 A CB -0.344 18.632 19.000 -0.039 0.000 0.808 87 A HN 0.936 nan 8.150 nan 0.000 0.449 88 D N -1.229 119.084 120.400 -0.144 0.000 2.340 88 D HA 0.037 4.677 4.640 -0.001 0.000 0.220 88 D C 0.646 176.993 176.300 0.079 0.000 1.039 88 D CA 0.145 54.057 54.000 -0.146 0.000 0.866 88 D CB -0.065 40.681 40.800 -0.089 0.000 0.913 88 D HN 0.451 nan 8.370 nan 0.000 0.523 89 Q N 0.112 119.951 119.800 0.066 0.000 2.282 89 Q HA 0.401 4.740 4.340 -0.001 0.000 0.260 89 Q C -1.261 174.917 176.000 0.296 0.000 0.964 89 Q CA -1.096 54.773 55.803 0.111 0.000 0.880 89 Q CB 1.750 30.453 28.738 -0.058 0.000 1.286 89 Q HN 0.402 nan 8.270 nan 0.000 0.445 90 Y N -1.633 118.869 120.300 0.337 0.000 2.536 90 Y HA 0.484 5.033 4.550 -0.001 0.000 0.347 90 Y C -1.244 174.992 175.900 0.561 0.000 1.000 90 Y CA -1.476 56.877 58.100 0.422 0.000 1.051 90 Y CB 0.978 39.557 38.460 0.197 0.000 1.259 90 Y HN 0.644 nan 8.280 nan 0.000 0.468 91 W N 5.883 127.406 121.300 0.371 0.000 2.437 91 W HA 0.397 5.056 4.660 -0.001 0.000 0.312 91 W C -2.183 174.425 176.519 0.148 0.000 1.242 91 W CA -0.613 56.670 57.345 -0.103 0.000 1.340 91 W CB 0.750 30.003 29.460 -0.344 0.000 1.327 91 W HN 0.607 nan 8.180 nan 0.000 0.476 92 F N 9.154 128.809 119.950 -0.491 0.000 2.716 92 F HA 0.207 4.734 4.527 -0.000 0.000 0.354 92 F C 0.453 175.960 175.800 -0.488 0.000 1.168 92 F CA -0.716 57.120 58.000 -0.273 0.000 1.045 92 F CB 0.026 39.014 39.000 -0.020 0.000 1.311 92 F HN 0.579 nan 8.300 nan 0.000 0.477 93 N N 2.474 120.702 118.700 -0.788 0.000 3.667 93 N HA -0.271 4.468 4.740 -0.001 0.000 0.216 93 N C -1.059 174.022 175.510 -0.715 0.000 0.363 93 N CA 1.692 54.322 53.050 -0.699 0.000 2.308 93 N CB -0.850 37.168 38.487 -0.783 0.000 1.474 93 N HN 0.626 nan 8.380 nan 0.000 0.359 94 N N -0.082 118.205 118.700 -0.688 0.000 2.839 94 N HA 0.569 5.308 4.740 -0.001 0.000 0.258 94 N C -0.232 174.994 175.510 -0.474 0.000 1.150 94 N CA 0.487 53.146 53.050 -0.652 0.000 0.957 94 N CB 1.549 39.812 38.487 -0.373 0.000 1.560 94 N HN 0.538 nan 8.380 nan 0.000 0.588 95 A N 1.788 124.301 122.820 -0.512 0.000 2.392 95 A HA 0.519 4.838 4.320 -0.001 0.000 0.217 95 A C -0.411 176.556 177.584 -1.028 0.000 2.391 95 A CA 0.104 51.574 52.037 -0.945 0.000 1.329 95 A CB -0.012 18.634 19.000 -0.589 0.000 1.199 95 A HN 0.473 nan 8.150 nan 0.000 0.527 96 W N -0.022 121.048 121.300 -0.383 0.000 2.303 96 W HA 0.715 5.375 4.660 -0.001 0.000 0.334 96 W C 0.583 176.915 176.519 -0.312 0.000 1.197 96 W CA -0.228 56.954 57.345 -0.271 0.000 1.262 96 W CB 0.720 30.126 29.460 -0.089 0.000 1.153 96 W HN 0.342 nan 8.180 nan 0.000 0.596 97 R N 0.534 120.927 120.500 -0.178 0.000 2.621 97 R HA 0.424 4.763 4.340 -0.001 0.000 0.284 97 R C -0.954 175.161 176.300 -0.309 0.000 0.998 97 R CA -0.554 55.330 56.100 -0.360 0.000 0.895 97 R CB 1.656 31.570 30.300 -0.643 0.000 1.195 97 R HN 0.376 nan 8.270 nan 0.000 0.450 98 T N 4.398 118.914 114.554 -0.062 0.000 2.845 98 T HA 0.302 4.652 4.350 -0.001 0.000 0.288 98 T C 0.496 175.334 174.700 0.230 0.000 0.980 98 T CA -0.392 61.760 62.100 0.086 0.000 1.071 98 T CB 0.850 69.770 68.868 0.088 0.000 0.941 98 T HN 0.383 nan 8.240 nan 0.000 0.487 99 M N 2.531 122.348 119.600 0.363 0.000 2.243 99 M HA 0.169 4.649 4.480 -0.001 0.000 0.341 99 M C 0.708 177.215 176.300 0.346 0.000 1.130 99 M CA 0.136 55.697 55.300 0.434 0.000 1.162 99 M CB 0.457 33.371 32.600 0.523 0.000 1.497 99 M HN 0.549 nan 8.290 nan 0.000 0.456 100 E N 2.148 122.497 120.200 0.249 0.000 2.301 100 E HA 0.203 4.552 4.350 -0.001 0.000 0.275 100 E C -0.871 175.784 176.600 0.092 0.000 1.030 100 E CA -0.459 56.024 56.400 0.138 0.000 0.852 100 E CB 1.074 30.818 29.700 0.073 0.000 1.060 100 E HN 0.484 nan 8.360 nan 0.000 0.401 101 Q N 2.308 122.084 119.800 -0.041 0.000 2.375 101 Q HA 0.595 4.934 4.340 -0.001 0.000 0.271 101 Q C -0.962 174.927 176.000 -0.185 0.000 1.074 101 Q CA -1.160 54.499 55.803 -0.240 0.000 0.808 101 Q CB 2.182 30.577 28.738 -0.571 0.000 1.327 101 Q HN 0.467 nan 8.270 nan 0.000 0.441 102 R N 0.644 121.026 120.500 -0.197 0.000 2.673 102 R HA 0.568 4.907 4.340 -0.001 0.000 0.281 102 R C -1.274 174.937 176.300 -0.149 0.000 0.991 102 R CA -1.075 54.942 56.100 -0.137 0.000 0.896 102 R CB 2.038 32.288 30.300 -0.084 0.000 1.201 102 R HN 0.484 nan 8.270 nan 0.000 0.457 103 K N 2.026 122.356 120.400 -0.117 0.000 2.240 103 K HA 0.231 4.551 4.320 -0.001 0.000 0.271 103 K C -0.678 175.882 176.600 -0.067 0.000 1.018 103 K CA -0.754 55.472 56.287 -0.102 0.000 0.874 103 K CB 1.565 34.009 32.500 -0.093 0.000 1.098 103 K HN 0.460 nan 8.250 nan 0.000 0.458 104 E N 2.439 122.604 120.200 -0.058 0.000 2.179 104 E HA 0.219 4.569 4.350 -0.001 0.000 0.275 104 E C -0.788 175.795 176.600 -0.030 0.000 0.945 104 E CA -0.639 55.739 56.400 -0.037 0.000 0.792 104 E CB 2.084 31.768 29.700 -0.027 0.000 1.125 104 E HN 0.340 nan 8.360 nan 0.000 0.397 105 R N 3.144 123.630 120.500 -0.023 0.000 2.246 105 R HA 0.334 4.673 4.340 -0.001 0.000 0.332 105 R C -0.584 175.708 176.300 -0.013 0.000 0.974 105 R CA -0.624 55.465 56.100 -0.019 0.000 0.837 105 R CB 0.255 30.544 30.300 -0.019 0.000 1.145 105 R HN 0.338 nan 8.270 nan 0.000 0.467 106 I N 3.263 123.828 120.570 -0.010 0.000 2.352 106 I HA 0.104 4.274 4.170 -0.001 0.000 0.290 106 I C 0.390 176.503 176.117 -0.005 0.000 1.036 106 I CA 0.170 61.467 61.300 -0.006 0.000 1.336 106 I CB 1.471 39.470 38.000 -0.002 0.000 1.407 106 I HN 0.456 nan 8.210 nan 0.000 0.497 107 Q N 5.426 125.223 119.800 -0.005 0.000 2.274 107 Q HA 0.565 4.905 4.340 -0.001 0.000 0.256 107 Q C -1.383 174.615 176.000 -0.003 0.000 0.927 107 Q CA -0.484 55.316 55.803 -0.005 0.000 0.939 107 Q CB 1.163 29.898 28.738 -0.005 0.000 1.201 107 Q HN 0.531 nan 8.270 nan 0.000 0.426 108 V N 4.454 124.366 119.914 -0.003 0.000 2.540 108 V HA 0.429 4.548 4.120 -0.001 0.000 0.302 108 V C -0.218 175.876 176.094 -0.001 0.000 1.035 108 V CA -0.908 61.391 62.300 -0.001 0.000 0.873 108 V CB 1.669 33.492 31.823 -0.000 0.000 0.992 108 V HN 0.755 nan 8.190 nan 0.000 0.428 109 R N 2.414 122.914 120.500 -0.001 0.000 2.347 109 R HA 0.483 4.822 4.340 -0.001 0.000 0.304 109 R C 1.230 177.530 176.300 -0.000 0.000 1.072 109 R CA 1.116 57.216 56.100 -0.001 0.000 0.980 109 R CB 0.421 30.721 30.300 -0.001 0.000 0.986 109 R HN 1.174 nan 8.270 nan 0.000 0.448 110 G N 2.504 111.303 108.800 -0.001 0.000 2.253 110 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.251 110 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.251 110 G C 0.025 174.925 174.900 -0.000 0.000 0.998 110 G CA 0.240 45.340 45.100 -0.000 0.000 0.621 110 G HN 0.588 nan 8.290 nan 0.000 0.524 111 Q N -0.312 119.488 119.800 -0.001 0.000 2.495 111 Q HA 0.759 5.098 4.340 -0.001 0.000 0.283 111 Q C 0.258 176.257 176.000 -0.002 0.000 1.097 111 Q CA -0.467 55.335 55.803 -0.001 0.000 0.836 111 Q CB 1.888 30.626 28.738 0.000 0.000 1.426 111 Q HN 0.747 nan 8.270 nan 0.000 0.459 112 A N 0.596 123.415 122.820 -0.002 0.000 2.366 112 A HA 0.225 4.545 4.320 -0.001 0.000 0.249 112 A C -0.802 176.780 177.584 -0.003 0.000 1.084 112 A CA -0.335 51.700 52.037 -0.003 0.000 0.794 112 A CB -0.005 18.993 19.000 -0.003 0.000 1.034 112 A HN 0.640 nan 8.150 nan 0.000 0.491 113 D N 0.807 121.204 120.400 -0.005 0.000 2.425 113 D HA 0.345 4.984 4.640 -0.001 0.000 0.247 113 D C 0.120 176.416 176.300 -0.006 0.000 1.147 113 D CA 0.708 54.705 54.000 -0.006 0.000 0.879 113 D CB 0.442 41.237 40.800 -0.008 0.000 1.179 113 D HN 0.380 nan 8.370 nan 0.000 0.456 114 R N 2.007 122.504 120.500 -0.005 0.000 2.312 114 R HA 0.355 4.695 4.340 -0.001 0.000 0.311 114 R C -0.038 176.257 176.300 -0.008 0.000 1.004 114 R CA -0.572 55.525 56.100 -0.005 0.000 0.902 114 R CB 1.434 31.733 30.300 -0.000 0.000 1.073 114 R HN 0.486 nan 8.270 nan 0.000 0.457 115 E N 3.939 124.132 120.200 -0.011 0.000 2.195 115 E HA 0.411 4.761 4.350 -0.001 0.000 0.271 115 E C -0.953 175.635 176.600 -0.020 0.000 0.923 115 E CA -0.707 55.682 56.400 -0.019 0.000 0.790 115 E CB 1.414 31.099 29.700 -0.024 0.000 1.155 115 E HN 0.476 nan 8.360 nan 0.000 0.402 116 M N 0.641 120.223 119.600 -0.030 0.000 2.631 116 M HA 0.572 5.052 4.480 -0.001 0.000 0.288 116 M C -1.102 175.152 176.300 -0.077 0.000 1.260 116 M CA -0.837 54.443 55.300 -0.032 0.000 0.842 116 M CB 2.169 34.765 32.600 -0.007 0.000 1.743 116 M HN 0.317 nan 8.290 nan 0.000 0.461 117 T N 0.019 114.506 114.554 -0.110 0.000 2.807 117 T HA 0.754 5.103 4.350 -0.001 0.000 0.279 117 T C -0.623 173.914 174.700 -0.271 0.000 0.993 117 T CA -0.569 61.376 62.100 -0.260 0.000 0.970 117 T CB 0.949 69.559 68.868 -0.430 0.000 0.950 117 T HN 0.652 nan 8.240 nan 0.000 0.441 118 I N 2.966 123.370 120.570 -0.275 0.000 2.355 118 I HA 0.393 4.563 4.170 -0.001 0.000 0.288 118 I C -0.647 175.368 176.117 -0.170 0.000 0.999 118 I CA -0.897 60.327 61.300 -0.126 0.000 1.163 118 I CB 0.992 38.972 38.000 -0.033 0.000 1.316 118 I HN 0.644 nan 8.210 nan 0.000 0.454 119 W N 5.952 127.320 121.300 0.114 0.000 2.303 119 W HA 0.613 5.273 4.660 0.001 0.000 0.334 119 W C 0.399 176.962 176.519 0.074 0.000 1.197 119 W CA -0.414 57.008 57.345 0.129 0.000 1.262 119 W CB 0.632 30.247 29.460 0.257 0.000 1.153 119 W HN 0.324 nan 8.180 nan 0.000 0.596 120 R N 1.137 121.806 120.500 0.282 0.000 2.604 120 R HA 0.441 4.781 4.340 -0.001 0.000 0.281 120 R C -0.204 176.125 176.300 0.049 0.000 1.020 120 R CA -0.363 55.803 56.100 0.110 0.000 0.899 120 R CB 1.543 31.875 30.300 0.053 0.000 1.205 120 R HN 0.633 nan 8.270 nan 0.000 0.450 121 T N -1.015 113.474 114.554 -0.107 0.000 2.876 121 T HA 0.176 4.525 4.350 -0.001 0.000 0.277 121 T C 0.948 175.484 174.700 -0.273 0.000 0.997 121 T CA -0.547 61.364 62.100 -0.315 0.000 0.966 121 T CB 1.012 69.474 68.868 -0.678 0.000 1.312 121 T HN 0.257 nan 8.240 nan 0.000 0.598 122 V N 0.432 120.073 119.914 -0.454 0.000 2.515 122 V HA -0.094 4.025 4.120 -0.001 0.000 0.250 122 V C 2.179 177.933 176.094 -0.568 0.000 1.058 122 V CA 1.928 63.909 62.300 -0.532 0.000 1.064 122 V CB -1.264 30.033 31.823 -0.877 0.000 0.675 122 V HN 0.917 nan 8.190 nan 0.000 0.461 123 H N -0.081 118.710 119.070 -0.464 0.000 2.317 123 H HA 0.456 5.011 4.556 -0.001 0.000 0.304 123 H C 1.040 176.229 175.328 -0.232 0.000 1.067 123 H CA 1.117 56.922 56.048 -0.406 0.000 1.352 123 H CB -0.040 29.421 29.762 -0.502 0.000 1.398 123 H HN 0.601 nan 8.280 nan 0.000 0.510 124 G N -1.235 107.524 108.800 -0.069 0.000 2.348 124 G HA2 0.191 4.151 3.960 -0.001 0.000 0.296 124 G HA3 0.191 4.151 3.960 -0.001 0.000 0.296 124 G C -2.869 172.004 174.900 -0.045 0.000 1.258 124 G CA -0.935 44.131 45.100 -0.057 0.000 0.868 124 G HN -0.064 nan 8.290 nan 0.000 0.488 125 P HA 0.403 nan 4.420 nan 0.000 0.275 125 P C 0.462 177.775 177.300 0.021 0.000 1.227 125 P CA -0.090 63.021 63.100 0.018 0.000 0.781 125 P CB 1.371 33.085 31.700 0.024 0.000 0.906 126 V N 0.592 120.538 119.914 0.054 0.000 2.732 126 V HA 0.253 4.372 4.120 -0.001 0.000 0.297 126 V C 1.027 177.162 176.094 0.069 0.000 1.060 126 V CA -0.106 62.201 62.300 0.012 0.000 1.038 126 V CB 0.671 32.462 31.823 -0.054 0.000 1.003 126 V HN 0.366 nan 8.190 nan 0.000 0.481 127 M N 1.244 120.868 119.600 0.040 0.000 2.740 127 M HA 0.354 4.834 4.480 -0.001 0.000 0.253 127 M C 0.690 177.045 176.300 0.092 0.000 1.341 127 M CA 0.994 56.337 55.300 0.072 0.000 1.176 127 M CB 0.213 32.840 32.600 0.045 0.000 1.310 127 M HN 0.898 nan 8.290 nan 0.000 0.531 128 Q N -0.605 119.234 119.800 0.065 0.000 2.305 128 Q HA 0.447 4.786 4.340 -0.001 0.000 0.271 128 Q C -1.787 174.214 176.000 0.001 0.000 1.046 128 Q CA -0.351 55.513 55.803 0.101 0.000 0.798 128 Q CB 1.911 30.700 28.738 0.086 0.000 1.286 128 Q HN 0.131 nan 8.270 nan 0.000 0.435 129 F N 2.079 122.004 119.950 -0.042 0.000 2.427 129 F HA 0.311 4.838 4.527 -0.001 0.000 0.346 129 F C -0.091 175.511 175.800 -0.331 0.000 1.120 129 F CA -0.388 57.431 58.000 -0.302 0.000 1.033 129 F CB 1.469 40.168 39.000 -0.501 0.000 1.126 129 F HN 0.393 nan 8.300 nan 0.000 0.462 130 D N 3.728 124.001 120.400 -0.212 0.000 2.454 130 D HA 0.161 4.800 4.640 -0.001 0.000 0.247 130 D C 0.025 176.236 176.300 -0.148 0.000 1.129 130 D CA -0.181 53.761 54.000 -0.097 0.000 0.877 130 D CB 0.662 41.480 40.800 0.031 0.000 1.082 130 D HN 0.399 nan 8.370 nan 0.000 0.537 131 Y N 1.344 121.709 120.300 0.108 0.000 2.314 131 Y HA -0.032 4.517 4.550 -0.001 0.000 0.294 131 Y C 1.990 177.915 175.900 0.041 0.000 1.119 131 Y CA 0.850 58.993 58.100 0.072 0.000 1.179 131 Y CB 0.037 38.523 38.460 0.044 0.000 1.025 131 Y HN 0.394 nan 8.280 nan 0.000 0.541 132 D N -1.109 119.401 120.400 0.184 0.000 2.224 132 D HA -0.141 4.499 4.640 -0.001 0.000 0.205 132 D C 1.621 177.963 176.300 0.071 0.000 0.965 132 D CA 0.980 55.045 54.000 0.109 0.000 0.852 132 D CB -0.298 40.557 40.800 0.091 0.000 0.947 132 D HN 0.193 nan 8.370 nan 0.000 0.494 133 Q N -0.117 119.718 119.800 0.059 0.000 2.354 133 Q HA 0.125 4.465 4.340 -0.001 0.000 0.203 133 Q C 1.332 177.339 176.000 0.012 0.000 0.933 133 Q CA 0.963 56.785 55.803 0.032 0.000 0.901 133 Q CB 0.457 29.214 28.738 0.031 0.000 1.007 133 Q HN 0.526 nan 8.270 nan 0.000 0.495 134 G N 1.130 109.939 108.800 0.014 0.000 2.248 134 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.263 134 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.263 134 G C -0.127 174.745 174.900 -0.046 0.000 1.082 134 G CA 0.342 45.449 45.100 0.013 0.000 0.863 134 G HN 0.534 nan 8.290 nan 0.000 0.495 135 A N -1.071 121.660 122.820 -0.147 0.000 2.455 135 A HA 1.073 5.392 4.320 -0.001 0.000 0.300 135 A C -0.054 177.212 177.584 -0.530 0.000 1.040 135 A CA 0.358 52.210 52.037 -0.309 0.000 0.697 135 A CB 1.674 20.457 19.000 -0.362 0.000 1.265 135 A HN 2.148 nan 8.150 nan 0.000 0.407 136 A N 1.197 123.643 122.820 -0.623 0.000 2.355 136 A HA 0.753 5.073 4.320 -0.001 0.000 0.317 136 A C -1.521 175.623 177.584 -0.733 0.000 1.094 136 A CA -0.408 51.142 52.037 -0.811 0.000 0.764 136 A CB 0.621 19.015 19.000 -1.010 0.000 1.230 136 A HN 0.801 nan 8.150 nan 0.000 0.448 137 Y N 1.826 121.907 120.300 -0.365 0.000 2.385 137 Y HA 0.450 5.000 4.550 -0.001 0.000 0.341 137 Y C 0.969 176.740 175.900 -0.215 0.000 0.965 137 Y CA -0.183 57.777 58.100 -0.234 0.000 1.180 137 Y CB 1.551 39.911 38.460 -0.167 0.000 1.139 137 Y HN 0.677 nan 8.280 nan 0.000 0.502 138 S N 2.778 118.437 115.700 -0.069 0.000 2.608 138 S HA 0.532 5.002 4.470 -0.001 0.000 0.291 138 S C -0.655 173.942 174.600 -0.004 0.000 1.146 138 S CA -1.207 56.955 58.200 -0.064 0.000 1.043 138 S CB 1.817 64.948 63.200 -0.116 0.000 1.037 138 S HN 0.640 nan 8.310 nan 0.000 0.520 139 K N 1.402 121.805 120.400 0.005 0.000 2.334 139 K HA 0.285 4.604 4.320 -0.001 0.000 0.265 139 K C -0.795 175.821 176.600 0.026 0.000 1.039 139 K CA -0.329 55.971 56.287 0.021 0.000 0.920 139 K CB 0.633 33.147 32.500 0.023 0.000 1.160 139 K HN 0.663 nan 8.250 nan 0.000 0.451 140 K N 4.162 124.606 120.400 0.072 0.000 2.213 140 K HA 0.277 4.597 4.320 -0.001 0.000 0.270 140 K C -0.775 175.927 176.600 0.170 0.000 1.002 140 K CA -0.593 55.745 56.287 0.084 0.000 0.868 140 K CB 0.853 33.389 32.500 0.060 0.000 1.093 140 K HN 0.482 nan 8.250 nan 0.000 0.454 141 R N 2.208 122.758 120.500 0.083 0.000 2.562 141 R HA 0.149 4.489 4.340 -0.001 0.000 0.298 141 R C 0.534 176.877 176.300 0.071 0.000 0.961 141 R CA -0.554 55.531 56.100 -0.025 0.000 0.881 141 R CB 1.800 31.742 30.300 -0.597 0.000 1.159 141 R HN 0.640 nan 8.270 nan 0.000 0.450 142 S N 2.517 118.303 115.700 0.143 0.000 2.428 142 S HA -0.043 4.426 4.470 -0.001 0.000 0.230 142 S C 1.105 175.788 174.600 0.139 0.000 1.014 142 S CA 0.572 58.833 58.200 0.102 0.000 0.957 142 S CB 0.145 63.330 63.200 -0.026 0.000 0.784 142 S HN 0.797 nan 8.310 nan 0.000 0.499 143 W N 1.272 122.634 121.300 0.105 0.000 3.256 143 W HA 0.328 4.987 4.660 -0.002 0.000 0.269 143 W C -0.218 176.388 176.519 0.145 0.000 1.310 143 W CA -0.473 56.908 57.345 0.060 0.000 1.673 143 W CB -1.172 28.299 29.460 0.018 0.000 1.115 143 W HN 0.209 nan 8.180 nan 0.000 0.686 144 D N 1.342 121.601 120.400 -0.235 0.000 2.450 144 D HA 0.285 4.925 4.640 -0.001 0.000 0.247 144 D C 1.501 177.716 176.300 -0.143 0.000 1.162 144 D CA 2.478 56.310 54.000 -0.281 0.000 0.879 144 D CB 0.529 41.146 40.800 -0.305 0.000 1.163 144 D HN 0.309 nan 8.370 nan 0.000 0.472 145 G N 3.185 111.872 108.800 -0.189 0.000 2.195 145 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.246 145 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.246 145 G C 0.290 174.859 174.900 -0.552 0.000 0.984 145 G CA 0.286 45.151 45.100 -0.392 0.000 0.633 145 G HN 0.514 nan 8.290 nan 0.000 0.525 146 Y N 0.601 120.896 120.300 -0.009 0.000 2.669 146 Y HA 0.530 5.080 4.550 -0.001 0.000 0.302 146 Y C 1.544 177.473 175.900 0.048 0.000 1.000 146 Y CA -0.143 57.933 58.100 -0.041 0.000 1.222 146 Y CB 0.485 38.818 38.460 -0.212 0.000 1.209 146 Y HN 0.219 nan 8.280 nan 0.000 0.571 147 E N 0.399 120.709 120.200 0.184 0.000 2.046 147 E HA -0.145 4.204 4.350 -0.001 0.000 0.190 147 E C 2.261 178.915 176.600 0.089 0.000 0.982 147 E CA 1.752 58.258 56.400 0.177 0.000 0.800 147 E CB -0.121 29.686 29.700 0.178 0.000 0.756 147 E HN 0.396 nan 8.360 nan 0.000 0.449 148 V N -0.890 119.062 119.914 0.062 0.000 2.667 148 V HA -0.182 3.938 4.120 -0.001 0.000 0.252 148 V C 2.196 178.324 176.094 0.057 0.000 1.065 148 V CA 1.707 64.033 62.300 0.043 0.000 1.083 148 V CB -0.533 31.305 31.823 0.025 0.000 0.692 148 V HN 0.161 nan 8.190 nan 0.000 0.468 149 Q N 0.830 120.674 119.800 0.074 0.000 2.119 149 Q HA -0.148 4.192 4.340 -0.001 0.000 0.201 149 Q C 2.349 178.387 176.000 0.063 0.000 0.972 149 Q CA 2.057 57.905 55.803 0.075 0.000 0.847 149 Q CB -0.085 28.722 28.738 0.114 0.000 0.903 149 Q HN 0.717 nan 8.270 nan 0.000 0.433 150 S N 0.568 116.306 115.700 0.063 0.000 2.428 150 S HA -0.053 4.416 4.470 -0.001 0.000 0.230 150 S C 1.725 176.422 174.600 0.162 0.000 1.014 150 S CA 0.423 58.660 58.200 0.061 0.000 0.957 150 S CB -0.043 63.166 63.200 0.015 0.000 0.784 150 S HN 0.373 nan 8.310 nan 0.000 0.499 151 L N 0.534 121.828 121.223 0.119 0.000 2.072 151 L HA -0.008 4.331 4.340 -0.001 0.000 0.205 151 L C 1.805 178.755 176.870 0.132 0.000 1.079 151 L CA 1.020 55.925 54.840 0.108 0.000 0.752 151 L CB -0.097 41.974 42.059 0.019 0.000 0.906 151 L HN 0.242 nan 8.230 nan 0.000 0.436 152 L N -0.574 120.710 121.223 0.103 0.000 2.179 152 L HA -0.016 4.323 4.340 -0.001 0.000 0.208 152 L C 2.599 179.536 176.870 0.111 0.000 1.096 152 L CA 1.526 56.422 54.840 0.094 0.000 0.779 152 L CB -0.879 41.219 42.059 0.065 0.000 0.922 152 L HN 0.214 nan 8.230 nan 0.000 0.443 153 A N -1.690 121.205 122.820 0.125 0.000 1.969 153 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 153 A C 2.123 179.842 177.584 0.225 0.000 1.169 153 A CA 1.017 53.128 52.037 0.124 0.000 0.635 153 A CB -0.899 18.151 19.000 0.083 0.000 0.810 153 A HN 0.579 nan 8.150 nan 0.000 0.445 154 W N -0.306 121.070 121.300 0.127 0.000 2.519 154 W HA 0.020 4.680 4.660 -0.000 0.000 0.266 154 W C 1.598 178.037 176.519 -0.133 0.000 1.253 154 W CA 1.030 58.419 57.345 0.072 0.000 1.274 154 W CB -0.182 29.371 29.460 0.155 0.000 1.114 154 W HN 0.356 nan 8.180 nan 0.000 0.596 155 L N 1.214 122.547 121.223 0.184 0.000 2.127 155 L HA -0.007 4.332 4.340 -0.001 0.000 0.203 155 L C 1.698 178.637 176.870 0.114 0.000 1.080 155 L CA 1.807 56.716 54.840 0.115 0.000 0.768 155 L CB -1.113 41.017 42.059 0.118 0.000 0.924 155 L HN -0.253 nan 8.230 nan 0.000 0.444 156 N N -0.793 117.936 118.700 0.049 0.000 2.550 156 N HA -0.081 4.659 4.740 -0.001 0.000 0.186 156 N C 1.723 177.141 175.510 -0.153 0.000 1.110 156 N CA 0.854 53.884 53.050 -0.032 0.000 0.912 156 N CB 0.012 38.477 38.487 -0.038 0.000 0.968 156 N HN 0.256 nan 8.380 nan 0.000 0.448 157 V N 0.870 120.623 119.914 -0.268 0.000 2.970 157 V HA -0.019 4.101 4.120 -0.001 0.000 0.260 157 V C 1.980 177.743 176.094 -0.550 0.000 1.100 157 V CA 1.228 63.230 62.300 -0.497 0.000 1.122 157 V CB -0.449 30.813 31.823 -0.936 0.000 0.721 157 V HN 0.251 nan 8.190 nan 0.000 0.483 158 A N -0.739 121.815 122.820 -0.443 0.000 2.016 158 A HA -0.085 4.234 4.320 -0.001 0.000 0.217 158 A C 2.166 179.698 177.584 -0.086 0.000 1.162 158 A CA 1.209 53.032 52.037 -0.356 0.000 0.662 158 A CB -0.264 18.746 19.000 0.017 0.000 0.812 158 A HN 0.542 nan 8.150 nan 0.000 0.450 159 K N -0.072 120.246 120.400 -0.136 0.000 2.418 159 K HA 0.259 4.579 4.320 -0.001 0.000 0.195 159 K C 0.797 177.360 176.600 -0.061 0.000 1.035 159 K CA 0.292 56.490 56.287 -0.149 0.000 1.003 159 K CB -0.070 32.263 32.500 -0.278 0.000 0.793 159 K HN 0.450 nan 8.250 nan 0.000 0.494 160 A N 1.816 124.609 122.820 -0.045 0.000 2.425 160 A HA 0.050 4.369 4.320 -0.001 0.000 0.242 160 A C 0.890 178.557 177.584 0.139 0.000 1.077 160 A CA -0.044 52.016 52.037 0.039 0.000 0.781 160 A CB 0.219 19.252 19.000 0.055 0.000 1.020 160 A HN 0.448 nan 8.150 nan 0.000 0.494 161 R N 0.083 120.680 120.500 0.162 0.000 2.517 161 R HA 0.177 4.517 4.340 -0.001 0.000 0.265 161 R C -0.339 176.125 176.300 0.274 0.000 0.921 161 R CA 0.359 56.578 56.100 0.199 0.000 1.054 161 R CB 0.027 30.410 30.300 0.139 0.000 1.340 161 R HN 0.764 nan 8.270 nan 0.000 0.551 162 N N -1.579 117.296 118.700 0.291 0.000 2.972 162 N HA 0.032 4.772 4.740 -0.001 0.000 0.262 162 N C -0.328 175.341 175.510 0.265 0.000 1.478 162 N CA -1.131 52.117 53.050 0.330 0.000 0.841 162 N CB -0.091 38.504 38.487 0.179 0.000 1.512 162 N HN 0.063 nan 8.380 nan 0.000 0.548 163 W N 0.397 121.578 121.300 -0.198 0.000 2.402 163 W HA -0.168 4.492 4.660 -0.001 0.000 0.286 163 W C 0.793 177.179 176.519 -0.222 0.000 1.221 163 W CA 2.374 59.389 57.345 -0.551 0.000 1.257 163 W CB -0.234 28.701 29.460 -0.875 0.000 1.120 163 W HN 0.739 nan 8.180 nan 0.000 0.551 164 T N -1.672 112.772 114.554 -0.183 0.000 2.904 164 T HA -0.156 4.193 4.350 -0.001 0.000 0.267 164 T C 1.341 175.924 174.700 -0.194 0.000 1.059 164 T CA 1.411 63.374 62.100 -0.228 0.000 1.137 164 T CB -0.535 68.271 68.868 -0.104 0.000 0.879 164 T HN 0.223 nan 8.240 nan 0.000 0.467 165 E N -0.412 119.733 120.200 -0.090 0.000 2.435 165 E HA 0.168 4.518 4.350 -0.001 0.000 0.195 165 E C 1.301 177.861 176.600 -0.065 0.000 1.029 165 E CA 0.108 56.468 56.400 -0.065 0.000 0.865 165 E CB -0.101 29.598 29.700 -0.002 0.000 0.833 165 E HN 0.570 nan 8.360 nan 0.000 0.510 166 F N 0.326 120.134 119.950 -0.236 0.000 2.317 166 F HA 0.000 4.527 4.527 -0.001 0.000 0.293 166 F C 1.851 177.446 175.800 -0.341 0.000 1.085 166 F CA 0.403 58.261 58.000 -0.238 0.000 1.390 166 F CB 0.280 39.176 39.000 -0.172 0.000 1.077 166 F HN -0.025 nan 8.300 nan 0.000 0.517 167 L N 0.590 121.571 121.223 -0.403 0.000 2.131 167 L HA -0.101 4.238 4.340 -0.001 0.000 0.206 167 L C 2.178 178.839 176.870 -0.347 0.000 1.087 167 L CA 1.823 56.406 54.840 -0.428 0.000 0.767 167 L CB -0.818 40.868 42.059 -0.621 0.000 0.917 167 L HN 0.261 nan 8.230 nan 0.000 0.441 168 D N -1.998 118.194 120.400 -0.347 0.000 2.269 168 D HA -0.202 4.438 4.640 -0.001 0.000 0.208 168 D C 1.656 177.781 176.300 -0.292 0.000 0.963 168 D CA 0.748 54.530 54.000 -0.363 0.000 0.864 168 D CB -0.285 40.352 40.800 -0.272 0.000 0.936 168 D HN 0.356 nan 8.370 nan 0.000 0.505 169 Q N 0.308 119.972 119.800 -0.226 0.000 2.230 169 Q HA 0.115 4.455 4.340 -0.001 0.000 0.202 169 Q C 2.192 178.140 176.000 -0.086 0.000 0.963 169 Q CA 1.171 56.890 55.803 -0.140 0.000 0.866 169 Q CB -0.210 28.435 28.738 -0.154 0.000 0.931 169 Q HN 0.493 nan 8.270 nan 0.000 0.452 170 A N 0.233 122.979 122.820 -0.124 0.000 2.014 170 A HA -0.083 4.236 4.320 -0.001 0.000 0.218 170 A C 2.279 179.765 177.584 -0.163 0.000 1.163 170 A CA 1.431 53.337 52.037 -0.219 0.000 0.652 170 A CB -0.345 18.578 19.000 -0.128 0.000 0.808 170 A HN 0.284 nan 8.150 nan 0.000 0.449 171 S N -0.491 115.026 115.700 -0.304 0.000 2.447 171 S HA -0.096 4.374 4.470 -0.001 0.000 0.233 171 S C 1.776 176.297 174.600 -0.133 0.000 1.006 171 S CA 1.464 59.421 58.200 -0.406 0.000 0.957 171 S CB -0.260 62.438 63.200 -0.837 0.000 0.773 171 S HN 0.634 nan 8.310 nan 0.000 0.507 172 K N 0.123 120.458 120.400 -0.108 0.000 2.365 172 K HA 0.166 4.485 4.320 -0.001 0.000 0.197 172 K C 0.251 176.841 176.600 -0.016 0.000 1.042 172 K CA 0.185 56.459 56.287 -0.021 0.000 0.987 172 K CB 0.032 32.507 32.500 -0.042 0.000 0.779 172 K HN 0.349 nan 8.250 nan 0.000 0.484 173 M N 0.481 120.027 119.600 -0.089 0.000 2.219 173 M HA 0.054 4.534 4.480 -0.001 0.000 0.353 173 M C 0.909 177.184 176.300 -0.041 0.000 1.304 173 M CA 0.248 55.442 55.300 -0.177 0.000 1.115 173 M CB 0.984 33.296 32.600 -0.479 0.000 1.664 173 M HN 0.077 nan 8.290 nan 0.000 0.459 174 A N 4.585 127.319 122.820 -0.144 0.000 2.055 174 A HA 0.254 4.574 4.320 -0.001 0.000 0.205 174 A C 0.812 178.399 177.584 0.006 0.000 1.235 174 A CA -0.057 51.881 52.037 -0.166 0.000 0.822 174 A CB 0.063 18.774 19.000 -0.481 0.000 0.903 174 A HN 0.825 nan 8.150 nan 0.000 0.473 175 I N -1.759 118.743 120.570 -0.113 0.000 2.638 175 I HA 0.461 4.630 4.170 -0.001 0.000 0.286 175 I C 0.291 176.297 176.117 -0.184 0.000 1.088 175 I CA -0.416 60.744 61.300 -0.233 0.000 1.397 175 I CB 1.225 38.967 38.000 -0.430 0.000 1.414 175 I HN -0.018 nan 8.210 nan 0.000 0.566 176 S N 5.530 121.160 115.700 -0.117 0.000 2.455 176 S HA 0.567 5.036 4.470 -0.001 0.000 0.278 176 S C -0.532 174.016 174.600 -0.088 0.000 1.216 176 S CA -0.229 57.928 58.200 -0.072 0.000 1.055 176 S CB -0.400 62.824 63.200 0.039 0.000 0.939 176 S HN 0.516 nan 8.310 nan 0.000 0.494 177 I N 4.576 125.035 120.570 -0.184 0.000 3.066 177 I HA 0.452 4.622 4.170 -0.001 0.000 0.307 177 I C -1.608 174.379 176.117 -0.216 0.000 1.366 177 I CA -0.556 60.648 61.300 -0.161 0.000 0.972 177 I CB 2.280 40.104 38.000 -0.294 0.000 1.307 177 I HN 0.522 nan 8.210 nan 0.000 0.470 178 N N 3.376 122.069 118.700 -0.012 0.000 2.372 178 N HA 0.397 5.137 4.740 -0.001 0.000 0.291 178 N C -1.790 173.803 175.510 0.138 0.000 1.024 178 N CA -0.320 52.730 53.050 0.001 0.000 0.873 178 N CB 1.599 40.235 38.487 0.250 0.000 1.206 178 N HN 0.331 nan 8.380 nan 0.000 0.486 179 W N 1.645 122.802 121.300 -0.238 0.000 2.639 179 W HA 0.470 5.129 4.660 -0.001 0.000 0.347 179 W C -0.585 175.900 176.519 -0.057 0.000 1.067 179 W CA -0.621 56.736 57.345 0.021 0.000 1.218 179 W CB 0.413 29.934 29.460 0.102 0.000 1.393 179 W HN 0.363 nan 8.180 nan 0.000 0.557 180 Y N 1.113 121.895 120.300 0.804 0.000 2.512 180 Y HA 0.402 4.951 4.550 -0.001 0.000 0.348 180 Y C -0.959 175.178 175.900 0.394 0.000 0.990 180 Y CA -1.365 57.084 58.100 0.583 0.000 1.033 180 Y CB 2.133 40.871 38.460 0.464 0.000 1.259 180 Y HN 0.290 nan 8.280 nan 0.000 0.461 181 Y N 1.369 121.811 120.300 0.236 0.000 2.446 181 Y HA 0.848 5.397 4.550 -0.001 0.000 0.345 181 Y C -1.197 174.773 175.900 0.116 0.000 0.984 181 Y CA -1.109 56.974 58.100 -0.028 0.000 1.058 181 Y CB 1.790 40.173 38.460 -0.129 0.000 1.220 181 Y HN 0.699 nan 8.280 nan 0.000 0.455 182 A N 4.929 127.456 122.820 -0.488 0.000 2.513 182 A HA 0.462 4.782 4.320 -0.001 0.000 0.285 182 A C -1.832 175.449 177.584 -0.506 0.000 1.047 182 A CA -0.743 51.115 52.037 -0.299 0.000 0.864 182 A CB 0.449 19.473 19.000 0.039 0.000 1.373 182 A HN 0.762 nan 8.150 nan 0.000 0.403 183 D N 1.199 121.271 120.400 -0.547 0.000 2.440 183 D HA 0.397 5.037 4.640 -0.001 0.000 0.258 183 D C 0.957 176.713 176.300 -0.907 0.000 1.092 183 D CA -0.482 53.163 54.000 -0.592 0.000 1.016 183 D CB 0.825 41.559 40.800 -0.110 0.000 1.141 183 D HN 0.452 nan 8.370 nan 0.000 0.552 184 K N -0.731 119.036 120.400 -1.055 0.000 2.365 184 K HA -0.099 4.220 4.320 -0.001 0.000 0.199 184 K C 1.035 177.375 176.600 -0.434 0.000 1.045 184 K CA 0.831 56.574 56.287 -0.908 0.000 0.962 184 K CB -0.460 31.667 32.500 -0.622 0.000 0.759 184 K HN 0.405 nan 8.250 nan 0.000 0.469 185 H N 0.249 119.209 119.070 -0.184 0.000 2.428 185 H HA 0.070 4.625 4.556 -0.001 0.000 0.296 185 H C 1.301 176.602 175.328 -0.045 0.000 1.062 185 H CA 1.526 57.536 56.048 -0.063 0.000 1.350 185 H CB 0.458 30.216 29.762 -0.007 0.000 1.403 185 H HN 0.589 nan 8.280 nan 0.000 0.533 186 G N -0.817 108.006 108.800 0.038 0.000 2.273 186 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.162 186 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.162 186 G C -0.566 174.336 174.900 0.004 0.000 1.006 186 G CA -0.543 44.569 45.100 0.020 0.000 0.704 186 G HN 0.180 nan 8.290 nan 0.000 0.487 187 N N 0.981 119.699 118.700 0.029 0.000 2.518 187 N HA 0.679 5.418 4.740 -0.001 0.000 0.283 187 N C 0.219 175.736 175.510 0.012 0.000 1.119 187 N CA 0.065 53.099 53.050 -0.025 0.000 0.983 187 N CB 1.606 40.155 38.487 0.103 0.000 1.139 187 N HN 0.693 nan 8.380 nan 0.000 0.465 188 I N -2.441 118.048 120.570 -0.135 0.000 2.545 188 I HA 0.853 5.022 4.170 -0.001 0.000 0.292 188 I C 0.195 176.236 176.117 -0.127 0.000 1.040 188 I CA -1.012 60.284 61.300 -0.008 0.000 1.068 188 I CB 2.264 40.267 38.000 0.005 0.000 1.251 188 I HN 0.368 nan 8.210 nan 0.000 0.424 189 G N 3.325 112.207 108.800 0.137 0.000 2.642 189 G HA2 0.660 4.619 3.960 -0.001 0.000 0.293 189 G HA3 0.660 4.619 3.960 -0.001 0.000 0.293 189 G C -2.449 172.688 174.900 0.395 0.000 1.341 189 G CA -0.730 44.383 45.100 0.022 0.000 0.916 189 G HN 0.743 nan 8.290 nan 0.000 0.474 190 Y N -0.084 120.384 120.300 0.280 0.000 2.479 190 Y HA 0.704 5.253 4.550 -0.001 0.000 0.338 190 Y C -1.579 174.526 175.900 0.343 0.000 1.055 190 Y CA -1.135 57.128 58.100 0.272 0.000 1.023 190 Y CB 2.134 40.686 38.460 0.153 0.000 1.287 190 Y HN 0.756 nan 8.280 nan 0.000 0.447 191 V N 4.293 123.895 119.914 -0.521 0.000 3.012 191 V HA 0.604 4.724 4.120 -0.001 0.000 0.307 191 V C -1.505 174.123 176.094 -0.777 0.000 1.166 191 V CA -0.287 61.691 62.300 -0.535 0.000 0.974 191 V CB 2.377 34.178 31.823 -0.038 0.000 1.040 191 V HN 0.817 nan 8.190 nan 0.000 0.428 192 S N 6.927 122.249 115.700 -0.630 0.000 2.150 192 S HA 0.534 5.003 4.470 -0.001 0.000 0.171 192 S C -2.647 171.731 174.600 -0.371 0.000 1.620 192 S CA -1.316 56.618 58.200 -0.442 0.000 1.190 192 S CB 0.717 63.752 63.200 -0.276 0.000 1.102 192 S HN 0.696 nan 8.310 nan 0.000 0.464 193 P HA 0.454 nan 4.420 nan 0.000 0.271 193 P C -0.883 176.235 177.300 -0.304 0.000 1.220 193 P CA -0.054 62.814 63.100 -0.388 0.000 0.768 193 P CB 1.090 32.427 31.700 -0.605 0.000 0.848 194 A N 3.323 126.047 122.820 -0.161 0.000 2.582 194 A HA 0.422 4.742 4.320 -0.001 0.000 0.297 194 A C -1.204 176.401 177.584 0.036 0.000 1.059 194 A CA -0.638 51.368 52.037 -0.050 0.000 0.705 194 A CB 0.345 19.311 19.000 -0.058 0.000 1.279 194 A HN 0.336 nan 8.150 nan 0.000 0.404 195 F N 2.219 122.095 119.950 -0.124 0.000 2.600 195 F HA 0.255 4.782 4.527 -0.000 0.000 0.345 195 F C 0.332 176.039 175.800 -0.154 0.000 1.271 195 F CA 0.288 58.202 58.000 -0.144 0.000 1.138 195 F CB 0.066 38.968 39.000 -0.163 0.000 1.449 195 F HN 0.384 nan 8.300 nan 0.000 0.645 196 L N 6.618 127.765 121.223 -0.127 0.000 2.361 196 L HA 0.255 4.594 4.340 -0.001 0.000 0.278 196 L C -2.014 174.711 176.870 -0.243 0.000 1.113 196 L CA -1.953 52.797 54.840 -0.150 0.000 0.849 196 L CB 0.296 42.273 42.059 -0.137 0.000 1.155 196 L HN 0.246 nan 8.230 nan 0.000 0.452 197 P HA 0.095 nan 4.420 nan 0.000 0.286 197 P C -1.351 175.765 177.300 -0.306 0.000 1.261 197 P CA -0.707 62.055 63.100 -0.564 0.000 0.821 197 P CB 1.068 31.942 31.700 -1.375 0.000 1.013 198 Q N 2.586 122.267 119.800 -0.198 0.000 2.377 198 Q HA 0.225 4.564 4.340 -0.001 0.000 0.249 198 Q C -0.301 175.751 176.000 0.085 0.000 1.005 198 Q CA -0.397 55.381 55.803 -0.042 0.000 0.912 198 Q CB 0.317 29.042 28.738 -0.022 0.000 1.223 198 Q HN 0.298 nan 8.270 nan 0.000 0.459 199 R N 3.844 124.423 120.500 0.132 0.000 2.459 199 R HA 0.406 4.745 4.340 -0.001 0.000 0.281 199 R C -2.041 174.355 176.300 0.161 0.000 1.050 199 R CA -1.631 54.615 56.100 0.243 0.000 1.055 199 R CB 0.374 30.818 30.300 0.240 0.000 1.045 199 R HN 0.531 nan 8.270 nan 0.000 0.495 200 P HA 0.020 nan 4.420 nan 0.000 0.272 200 P C -0.184 177.169 177.300 0.088 0.000 1.240 200 P CA -0.116 63.052 63.100 0.114 0.000 0.791 200 P CB 0.793 32.562 31.700 0.115 0.000 0.978 201 A N 1.370 124.230 122.820 0.067 0.000 2.067 201 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 201 A C 1.520 179.135 177.584 0.051 0.000 1.158 201 A CA 1.723 53.792 52.037 0.054 0.000 0.661 201 A CB -1.124 17.901 19.000 0.043 0.000 0.801 201 A HN 0.510 nan 8.150 nan 0.000 0.452 202 D N -0.575 119.857 120.400 0.054 0.000 2.183 202 D HA -0.049 4.591 4.640 -0.001 0.000 0.203 202 D C 1.242 177.570 176.300 0.047 0.000 0.969 202 D CA 0.671 54.700 54.000 0.047 0.000 0.842 202 D CB -0.103 40.726 40.800 0.049 0.000 0.957 202 D HN 0.608 nan 8.370 nan 0.000 0.484 203 Q N 1.073 120.908 119.800 0.058 0.000 2.304 203 Q HA 0.058 4.397 4.340 -0.001 0.000 0.260 203 Q C -0.910 175.116 176.000 0.043 0.000 0.965 203 Q CA -0.324 55.509 55.803 0.049 0.000 0.898 203 Q CB 0.757 29.537 28.738 0.069 0.000 1.196 203 Q HN -0.063 nan 8.270 nan 0.000 0.402 204 D N 3.822 124.238 120.400 0.027 0.000 2.225 204 D HA 0.079 4.718 4.640 -0.001 0.000 0.248 204 D C 0.513 176.829 176.300 0.027 0.000 1.096 204 D CA -0.183 53.835 54.000 0.030 0.000 0.863 204 D CB 1.102 41.916 40.800 0.022 0.000 1.156 204 D HN 0.721 nan 8.370 nan 0.000 0.450 205 I N 3.824 124.420 120.570 0.044 0.000 2.546 205 I HA -0.168 4.002 4.170 -0.001 0.000 0.255 205 I C 2.174 178.311 176.117 0.033 0.000 1.163 205 I CA 0.734 62.059 61.300 0.042 0.000 1.457 205 I CB 0.155 38.188 38.000 0.054 0.000 1.092 205 I HN 0.422 nan 8.210 nan 0.000 0.434 206 R N 0.554 121.088 120.500 0.057 0.000 2.127 206 R HA 0.074 4.414 4.340 -0.001 0.000 0.217 206 R C 0.644 176.962 176.300 0.031 0.000 1.074 206 R CA 0.709 56.860 56.100 0.086 0.000 0.991 206 R CB -0.798 29.592 30.300 0.150 0.000 0.895 206 R HN 0.265 nan 8.270 nan 0.000 0.450 207 V N -1.054 118.863 119.914 0.004 0.000 2.881 207 V HA 0.558 4.678 4.120 -0.001 0.000 0.316 207 V C -2.680 173.388 176.094 -0.044 0.000 1.070 207 V CA -3.381 58.907 62.300 -0.020 0.000 0.976 207 V CB 1.550 33.366 31.823 -0.012 0.000 1.038 207 V HN -0.112 nan 8.190 nan 0.000 0.446 208 P HA 0.323 nan 4.420 nan 0.000 0.267 208 P C -0.231 177.006 177.300 -0.106 0.000 1.200 208 P CA 0.411 63.460 63.100 -0.085 0.000 0.772 208 P CB 0.366 32.081 31.700 0.025 0.000 0.855 209 A N 2.873 125.545 122.820 -0.247 0.000 2.286 209 A HA 0.290 4.609 4.320 -0.001 0.000 0.286 209 A C -0.009 177.544 177.584 -0.051 0.000 1.097 209 A CA -0.565 51.355 52.037 -0.195 0.000 0.821 209 A CB 0.215 18.981 19.000 -0.390 0.000 1.076 209 A HN 0.444 nan 8.150 nan 0.000 0.490 210 K N 0.773 121.202 120.400 0.049 0.000 2.383 210 K HA 0.252 4.572 4.320 -0.001 0.000 0.286 210 K C 0.519 177.235 176.600 0.194 0.000 1.051 210 K CA 0.474 56.820 56.287 0.099 0.000 0.974 210 K CB 0.641 33.196 32.500 0.091 0.000 0.968 210 K HN 0.703 nan 8.250 nan 0.000 0.475 211 G N 3.366 112.262 108.800 0.161 0.000 3.714 211 G HA2 0.007 3.966 3.960 -0.001 0.000 0.276 211 G HA3 0.007 3.966 3.960 -0.001 0.000 0.276 211 G C 0.131 175.257 174.900 0.377 0.000 1.058 211 G CA -0.416 44.804 45.100 0.200 0.000 1.700 211 G HN 0.779 nan 8.290 nan 0.000 0.605 212 D N -0.594 120.038 120.400 0.387 0.000 2.510 212 D HA 0.149 4.789 4.640 -0.001 0.000 0.234 212 D C 1.434 177.845 176.300 0.185 0.000 1.178 212 D CA 0.575 54.817 54.000 0.404 0.000 0.816 212 D CB 0.074 41.104 40.800 0.383 0.000 1.143 212 D HN 0.653 nan 8.370 nan 0.000 0.526 213 G N 0.505 109.408 108.800 0.171 0.000 2.259 213 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.217 213 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.217 213 G C 1.293 176.189 174.900 -0.007 0.000 1.001 213 G CA 0.409 45.450 45.100 -0.098 0.000 0.627 213 G HN 0.291 nan 8.290 nan 0.000 0.501 214 S N -0.463 115.272 115.700 0.058 0.000 2.406 214 S HA 0.261 4.731 4.470 -0.001 0.000 0.228 214 S C 1.131 175.782 174.600 0.085 0.000 1.020 214 S CA 1.291 59.526 58.200 0.058 0.000 0.965 214 S CB 0.021 63.260 63.200 0.065 0.000 0.798 214 S HN 0.530 nan 8.310 nan 0.000 0.488 215 M N 2.346 122.023 119.600 0.128 0.000 2.065 215 M HA 0.279 4.758 4.480 -0.001 0.000 0.308 215 M C -1.423 175.010 176.300 0.221 0.000 0.939 215 M CA -0.147 55.245 55.300 0.154 0.000 0.890 215 M CB 0.574 33.257 32.600 0.139 0.000 1.383 215 M HN -0.062 nan 8.290 nan 0.000 0.381 216 E N 1.822 122.132 120.200 0.183 0.000 2.378 216 E HA 0.376 4.726 4.350 -0.001 0.000 0.265 216 E C -1.306 175.446 176.600 0.253 0.000 0.932 216 E CA -0.483 56.017 56.400 0.167 0.000 0.795 216 E CB 1.347 31.122 29.700 0.124 0.000 1.296 216 E HN 0.475 nan 8.360 nan 0.000 0.438 217 W N 1.855 123.280 121.300 0.209 0.000 2.251 217 W HA 0.092 4.752 4.660 -0.001 0.000 0.327 217 W C 1.395 177.977 176.519 0.105 0.000 1.361 217 W CA -0.271 57.169 57.345 0.159 0.000 1.234 217 W CB -0.043 29.517 29.460 0.166 0.000 1.212 217 W HN 0.523 nan 8.180 nan 0.000 0.557 218 L N 3.023 124.431 121.223 0.308 0.000 2.313 218 L HA 0.169 4.508 4.340 -0.001 0.000 0.214 218 L C 1.321 178.271 176.870 0.133 0.000 1.119 218 L CA 1.025 55.969 54.840 0.174 0.000 0.809 218 L CB -0.583 41.548 42.059 0.120 0.000 0.933 218 L HN 0.568 nan 8.230 nan 0.000 0.449 219 G N -0.481 108.395 108.800 0.126 0.000 2.352 219 G HA2 0.154 4.113 3.960 -0.001 0.000 0.302 219 G HA3 0.154 4.113 3.960 -0.001 0.000 0.302 219 G C -1.279 173.590 174.900 -0.051 0.000 1.370 219 G CA -1.017 44.117 45.100 0.057 0.000 0.918 219 G HN -0.096 nan 8.290 nan 0.000 0.610 220 I N 0.722 121.245 120.570 -0.079 0.000 2.416 220 I HA 0.289 4.458 4.170 -0.001 0.000 0.288 220 I C 0.863 176.869 176.117 -0.185 0.000 1.051 220 I CA -0.416 60.779 61.300 -0.175 0.000 1.375 220 I CB 1.202 39.092 38.000 -0.183 0.000 1.407 220 I HN 0.388 nan 8.210 nan 0.000 0.516 221 K N 3.568 123.846 120.400 -0.203 0.000 2.276 221 K HA 0.148 4.468 4.320 -0.001 0.000 0.259 221 K C 0.318 176.800 176.600 -0.196 0.000 1.001 221 K CA 0.083 56.270 56.287 -0.167 0.000 0.927 221 K CB 0.706 33.117 32.500 -0.149 0.000 0.969 221 K HN 0.624 nan 8.250 nan 0.000 0.490 222 S N 1.090 116.707 115.700 -0.139 0.000 2.608 222 S HA 0.055 4.525 4.470 -0.001 0.000 0.261 222 S C 0.837 175.380 174.600 -0.095 0.000 1.314 222 S CA -0.390 57.744 58.200 -0.110 0.000 0.992 222 S CB 0.160 63.322 63.200 -0.064 0.000 0.935 222 S HN 0.520 nan 8.310 nan 0.000 0.564 223 F N 1.313 121.143 119.950 -0.201 0.000 2.407 223 F HA 0.022 4.548 4.527 -0.001 0.000 0.299 223 F C 1.801 177.516 175.800 -0.142 0.000 1.097 223 F CA 1.375 59.260 58.000 -0.193 0.000 1.422 223 F CB -0.168 38.718 39.000 -0.189 0.000 1.067 223 F HN 0.605 nan 8.300 nan 0.000 0.539 224 D N 0.306 120.646 120.400 -0.100 0.000 2.264 224 D HA -0.120 4.519 4.640 -0.001 0.000 0.208 224 D C 2.305 178.491 176.300 -0.189 0.000 0.966 224 D CA 1.160 55.077 54.000 -0.138 0.000 0.864 224 D CB -0.255 40.514 40.800 -0.051 0.000 0.933 224 D HN 0.402 nan 8.370 nan 0.000 0.499 225 A N 0.540 123.247 122.820 -0.189 0.000 2.014 225 A HA -0.035 4.285 4.320 -0.001 0.000 0.218 225 A C 1.178 178.630 177.584 -0.221 0.000 1.163 225 A CA 0.085 52.021 52.037 -0.168 0.000 0.652 225 A CB -0.238 18.680 19.000 -0.137 0.000 0.808 225 A HN 0.084 nan 8.150 nan 0.000 0.449 226 I N 2.314 122.671 120.570 -0.355 0.000 2.598 226 I HA 0.093 4.263 4.170 -0.001 0.000 0.284 226 I C -1.904 173.995 176.117 -0.363 0.000 1.140 226 I CA -1.650 59.404 61.300 -0.411 0.000 1.420 226 I CB 0.599 38.213 38.000 -0.643 0.000 1.387 226 I HN 0.154 nan 8.210 nan 0.000 0.553 227 P HA 0.127 nan 4.420 nan 0.000 0.271 227 P C -1.342 175.843 177.300 -0.191 0.000 1.220 227 P CA -0.371 62.637 63.100 -0.155 0.000 0.768 227 P CB 0.280 31.939 31.700 -0.069 0.000 0.848 228 K N 1.364 121.715 120.400 -0.082 0.000 2.535 228 K HA 0.796 5.115 4.320 -0.001 0.000 0.251 228 K C -1.631 175.054 176.600 0.142 0.000 0.942 228 K CA -1.141 55.154 56.287 0.014 0.000 0.798 228 K CB 2.111 34.640 32.500 0.049 0.000 1.267 228 K HN 0.301 nan 8.250 nan 0.000 0.434 229 A N 3.049 126.012 122.820 0.238 0.000 2.357 229 A HA 0.487 4.806 4.320 -0.001 0.000 0.295 229 A C -2.097 175.561 177.584 0.125 0.000 1.121 229 A CA -0.689 51.464 52.037 0.194 0.000 0.742 229 A CB 0.711 19.842 19.000 0.218 0.000 1.181 229 A HN 0.724 nan 8.150 nan 0.000 0.454 230 Y N 2.504 122.701 120.300 -0.172 0.000 2.326 230 Y HA 0.411 4.961 4.550 -0.001 0.000 0.331 230 Y C 0.124 175.851 175.900 -0.288 0.000 0.962 230 Y CA -0.489 57.334 58.100 -0.462 0.000 1.167 230 Y CB 0.940 38.876 38.460 -0.873 0.000 1.148 230 Y HN 0.920 nan 8.280 nan 0.000 0.463 231 N N 5.425 123.725 118.700 -0.667 0.000 2.573 231 N HA -0.162 4.578 4.740 -0.001 0.000 0.280 231 N C -2.832 172.530 175.510 -0.246 0.000 1.187 231 N CA 0.036 52.796 53.050 -0.483 0.000 0.717 231 N CB -0.353 37.774 38.487 -0.599 0.000 0.899 231 N HN 0.394 nan 8.380 nan 0.000 0.546 232 P HA 0.131 nan 4.420 nan 0.000 0.274 232 P C -1.976 175.237 177.300 -0.145 0.000 1.231 232 P CA -1.200 61.804 63.100 -0.161 0.000 0.790 232 P CB 0.707 32.283 31.700 -0.207 0.000 0.951 233 P HA -0.168 nan 4.420 nan 0.000 0.221 233 P C 1.587 178.844 177.300 -0.072 0.000 1.145 233 P CA 1.409 64.463 63.100 -0.077 0.000 0.795 233 P CB -0.076 31.591 31.700 -0.056 0.000 0.775 234 Q N -1.260 118.457 119.800 -0.139 0.000 2.230 234 Q HA 0.027 4.366 4.340 -0.001 0.000 0.202 234 Q C 1.357 177.338 176.000 -0.033 0.000 0.963 234 Q CA 1.310 57.031 55.803 -0.138 0.000 0.866 234 Q CB -0.846 27.639 28.738 -0.422 0.000 0.931 234 Q HN 0.169 nan 8.270 nan 0.000 0.452 235 G N 0.676 109.419 108.800 -0.095 0.000 2.141 235 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.231 235 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.231 235 G C -0.286 174.678 174.900 0.107 0.000 0.984 235 G CA 0.273 45.389 45.100 0.027 0.000 0.660 235 G HN 0.638 nan 8.290 nan 0.000 0.525 236 Y N -2.250 117.988 120.300 -0.102 0.000 2.552 236 Y HA 0.772 5.321 4.550 -0.001 0.000 0.337 236 Y C -0.955 174.852 175.900 -0.155 0.000 1.094 236 Y CA -2.090 55.908 58.100 -0.169 0.000 1.028 236 Y CB 1.155 39.358 38.460 -0.427 0.000 1.321 236 Y HN 0.134 nan 8.280 nan 0.000 0.456 237 L N 4.154 125.394 121.223 0.027 0.000 2.343 237 L HA 0.738 5.078 4.340 -0.001 0.000 0.278 237 L C -1.140 175.784 176.870 0.091 0.000 0.996 237 L CA -1.036 53.808 54.840 0.006 0.000 0.831 237 L CB 1.946 44.044 42.059 0.065 0.000 1.232 237 L HN 0.624 nan 8.230 nan 0.000 0.413 238 V N 3.057 123.018 119.914 0.079 0.000 2.555 238 V HA 0.536 4.655 4.120 -0.001 0.000 0.302 238 V C -0.437 175.709 176.094 0.086 0.000 1.038 238 V CA -0.641 61.745 62.300 0.143 0.000 0.887 238 V CB 2.000 33.943 31.823 0.200 0.000 0.991 238 V HN 0.792 nan 8.190 nan 0.000 0.434 239 N N 3.520 122.296 118.700 0.126 0.000 2.519 239 N HA 0.179 4.919 4.740 -0.001 0.000 0.291 239 N C -2.085 173.573 175.510 0.247 0.000 1.107 239 N CA -0.365 52.770 53.050 0.143 0.000 0.904 239 N CB 2.119 40.699 38.487 0.154 0.000 1.500 239 N HN 0.757 nan 8.380 nan 0.000 0.510 240 W N 5.395 126.742 121.300 0.077 0.000 2.148 240 W HA 0.382 5.042 4.660 -0.001 0.000 0.288 240 W C 0.049 176.621 176.519 0.089 0.000 0.920 240 W CA -0.666 56.736 57.345 0.094 0.000 1.904 240 W CB -1.280 28.241 29.460 0.102 0.000 2.083 240 W HN 0.791 nan 8.180 nan 0.000 0.398 241 N N 1.672 120.590 118.700 0.364 0.000 2.732 241 N HA -0.358 4.382 4.740 -0.001 0.000 0.250 241 N C 0.469 176.108 175.510 0.215 0.000 1.097 241 N CA 1.219 54.413 53.050 0.240 0.000 0.812 241 N CB -0.940 37.688 38.487 0.234 0.000 1.148 241 N HN 0.418 nan 8.380 nan 0.000 0.572 242 N N 1.569 120.306 118.700 0.062 0.000 2.292 242 N HA 0.047 4.786 4.740 -0.001 0.000 0.278 242 N C 0.139 175.073 175.510 -0.960 0.000 1.289 242 N CA -0.033 52.855 53.050 -0.271 0.000 0.934 242 N CB 0.338 38.723 38.487 -0.170 0.000 1.069 242 N HN 0.134 nan 8.380 nan 0.000 0.513 243 K N -0.107 119.475 120.400 -1.363 0.000 2.401 243 K HA 0.097 4.416 4.320 -0.001 0.000 0.278 243 K C -1.675 174.562 176.600 -0.605 0.000 1.018 243 K CA -1.182 54.276 56.287 -1.383 0.000 0.981 243 K CB 0.456 32.464 32.500 -0.819 0.000 0.933 243 K HN 0.328 nan 8.250 nan 0.000 0.477 244 P HA -0.090 nan 4.420 nan 0.000 0.212 244 P C -0.831 176.449 177.300 -0.033 0.000 1.180 244 P CA 0.885 63.930 63.100 -0.092 0.000 0.906 244 P CB 0.248 31.933 31.700 -0.024 0.000 0.782 245 A N -2.379 120.407 122.820 -0.057 0.000 2.612 245 A HA 0.600 4.920 4.320 -0.001 0.000 0.293 245 A C -2.942 174.621 177.584 -0.035 0.000 1.075 245 A CA -1.362 50.661 52.037 -0.022 0.000 0.680 245 A CB 0.561 19.576 19.000 0.024 0.000 1.279 245 A HN -0.125 nan 8.150 nan 0.000 0.411 246 P HA 0.305 nan 4.420 nan 0.000 0.282 246 P C -0.521 176.778 177.300 -0.001 0.000 1.274 246 P CA 0.949 64.043 63.100 -0.010 0.000 0.770 246 P CB 0.764 32.460 31.700 -0.007 0.000 0.867 247 D N 0.782 121.188 120.400 0.010 0.000 4.235 247 D HA -0.071 4.568 4.640 -0.001 0.000 0.108 247 D C -0.882 175.431 176.300 0.021 0.000 0.447 247 D CA -0.095 53.913 54.000 0.013 0.000 0.628 247 D CB -1.136 39.664 40.800 0.001 0.000 1.575 247 D HN 0.231 nan 8.370 nan 0.000 0.177 248 K N 2.626 123.044 120.400 0.029 0.000 2.265 248 K HA 0.438 4.758 4.320 -0.001 0.000 0.267 248 K C 0.625 177.283 176.600 0.097 0.000 0.994 248 K CA -0.206 56.110 56.287 0.049 0.000 0.860 248 K CB 1.606 34.129 32.500 0.038 0.000 1.099 248 K HN 0.326 nan 8.250 nan 0.000 0.448 249 T N 0.387 115.002 114.554 0.101 0.000 2.860 249 T HA 0.160 4.510 4.350 -0.001 0.000 0.299 249 T C 0.539 175.344 174.700 0.176 0.000 1.045 249 T CA -0.697 61.479 62.100 0.127 0.000 1.071 249 T CB 0.356 69.281 68.868 0.096 0.000 0.985 249 T HN 0.264 nan 8.240 nan 0.000 0.537 250 N N 1.958 120.765 118.700 0.177 0.000 2.492 250 N HA 0.201 4.941 4.740 -0.001 0.000 0.260 250 N C 0.724 176.198 175.510 -0.060 0.000 1.215 250 N CA -0.076 53.036 53.050 0.104 0.000 0.923 250 N CB 0.749 39.274 38.487 0.063 0.000 1.092 250 N HN 0.918 nan 8.380 nan 0.000 0.448 251 T N -1.979 112.472 114.554 -0.171 0.000 2.754 251 T HA 0.113 4.463 4.350 -0.001 0.000 0.286 251 T C 0.903 175.335 174.700 -0.446 0.000 0.997 251 T CA -0.393 61.597 62.100 -0.183 0.000 0.982 251 T CB 0.470 69.316 68.868 -0.038 0.000 1.027 251 T HN 0.532 nan 8.240 nan 0.000 0.529 252 D N -0.906 119.342 120.400 -0.254 0.000 2.219 252 D HA -0.069 4.570 4.640 -0.001 0.000 0.205 252 D C 1.833 177.962 176.300 -0.286 0.000 0.970 252 D CA 1.277 55.158 54.000 -0.197 0.000 0.851 252 D CB -0.318 40.439 40.800 -0.072 0.000 0.943 252 D HN 0.604 nan 8.370 nan 0.000 0.488 253 T N -2.310 111.986 114.554 -0.429 0.000 3.034 253 T HA 0.105 4.454 4.350 -0.001 0.000 0.248 253 T C -0.466 173.797 174.700 -0.728 0.000 1.040 253 T CA -0.106 61.678 62.100 -0.527 0.000 1.107 253 T CB -0.113 68.377 68.868 -0.629 0.000 0.932 253 T HN 0.069 nan 8.240 nan 0.000 0.474 254 Y N 0.609 120.548 120.300 -0.601 0.000 2.341 254 Y HA 0.621 5.170 4.550 -0.001 0.000 0.337 254 Y C -1.091 174.047 175.900 -1.269 0.000 1.014 254 Y CA -1.621 55.970 58.100 -0.848 0.000 1.111 254 Y CB 0.963 38.859 38.460 -0.940 0.000 1.194 254 Y HN 0.090 nan 8.280 nan 0.000 0.462 255 Y N 1.807 121.722 120.300 -0.642 0.000 2.373 255 Y HA 0.415 4.964 4.550 -0.001 0.000 0.336 255 Y C -0.763 174.861 175.900 -0.461 0.000 0.979 255 Y CA -1.483 56.344 58.100 -0.455 0.000 1.080 255 Y CB 1.562 39.903 38.460 -0.199 0.000 1.190 255 Y HN 0.554 nan 8.280 nan 0.000 0.446 256 W N 1.103 122.514 121.300 0.185 0.000 2.736 256 W HA 0.696 5.356 4.660 -0.001 0.000 0.355 256 W C -0.013 176.552 176.519 0.078 0.000 1.102 256 W CA -0.696 56.708 57.345 0.098 0.000 1.164 256 W CB 2.223 31.722 29.460 0.065 0.000 1.422 256 W HN 0.446 nan 8.180 nan 0.000 0.572 257 T N -0.725 113.986 114.554 0.262 0.000 2.681 257 T HA 0.213 4.562 4.350 -0.001 0.000 0.296 257 T C 0.579 175.318 174.700 0.066 0.000 1.157 257 T CA -0.300 61.884 62.100 0.140 0.000 1.025 257 T CB 0.503 69.392 68.868 0.036 0.000 1.441 257 T HN 0.341 nan 8.240 nan 0.000 0.504 258 Y N 0.195 120.490 120.300 -0.009 0.000 2.274 258 Y HA 0.321 4.870 4.550 -0.001 0.000 0.290 258 Y C 1.118 176.915 175.900 -0.172 0.000 1.145 258 Y CA 0.560 58.634 58.100 -0.043 0.000 1.203 258 Y CB -0.756 37.690 38.460 -0.022 0.000 0.984 258 Y HN 0.497 nan 8.280 nan 0.000 0.533 259 G N 2.090 110.239 108.800 -1.085 0.000 2.365 259 G HA2 0.309 4.269 3.960 -0.001 0.000 0.293 259 G HA3 0.309 4.269 3.960 -0.001 0.000 0.293 259 G C -1.425 173.128 174.900 -0.577 0.000 1.128 259 G CA -0.233 44.022 45.100 -1.408 0.000 0.971 259 G HN 0.401 nan 8.290 nan 0.000 0.422 260 D N 1.601 121.862 120.400 -0.231 0.000 2.756 260 D HA 0.150 4.789 4.640 -0.001 0.000 0.226 260 D C 1.314 177.673 176.300 0.098 0.000 1.186 260 D CA -0.708 53.294 54.000 0.002 0.000 0.845 260 D CB 1.745 42.572 40.800 0.046 0.000 1.610 260 D HN 0.411 nan 8.370 nan 0.000 0.465 261 R N 2.115 122.607 120.500 -0.014 0.000 2.293 261 R HA -0.018 4.321 4.340 -0.001 0.000 0.219 261 R C 2.049 178.323 176.300 -0.044 0.000 1.091 261 R CA 0.962 56.959 56.100 -0.172 0.000 1.004 261 R CB -0.211 29.732 30.300 -0.594 0.000 0.865 261 R HN 0.369 nan 8.270 nan 0.000 0.469 262 M N 1.375 121.040 119.600 0.108 0.000 2.159 262 M HA -0.120 4.359 4.480 -0.001 0.000 0.263 262 M C 0.861 177.294 176.300 0.221 0.000 1.063 262 M CA 1.684 57.128 55.300 0.240 0.000 1.110 262 M CB -0.140 32.562 32.600 0.170 0.000 1.374 262 M HN 0.224 nan 8.290 nan 0.000 0.411 263 N N 0.840 119.650 118.700 0.183 0.000 2.430 263 N HA -0.156 4.584 4.740 -0.001 0.000 0.186 263 N C 1.263 176.836 175.510 0.105 0.000 1.032 263 N CA 1.037 54.184 53.050 0.162 0.000 0.893 263 N CB -0.322 38.290 38.487 0.208 0.000 0.957 263 N HN 0.495 nan 8.380 nan 0.000 0.442 264 E N 0.428 120.700 120.200 0.119 0.000 2.208 264 E HA -0.003 4.347 4.350 -0.001 0.000 0.193 264 E C 1.998 178.618 176.600 0.033 0.000 0.988 264 E CA 0.369 56.815 56.400 0.075 0.000 0.828 264 E CB 0.102 29.878 29.700 0.128 0.000 0.763 264 E HN 0.430 nan 8.360 nan 0.000 0.478 265 L N -0.258 121.030 121.223 0.108 0.000 2.286 265 L HA -0.012 4.328 4.340 -0.001 0.000 0.203 265 L C 2.348 179.293 176.870 0.126 0.000 1.068 265 L CA 0.209 55.055 54.840 0.010 0.000 0.811 265 L CB -0.070 42.000 42.059 0.018 0.000 0.989 265 L HN -0.087 nan 8.230 nan 0.000 0.467 266 V N -1.080 118.948 119.914 0.189 0.000 2.427 266 V HA -0.251 3.868 4.120 -0.001 0.000 0.248 266 V C 2.623 178.816 176.094 0.164 0.000 1.051 266 V CA 1.923 64.366 62.300 0.238 0.000 1.048 266 V CB -0.401 31.556 31.823 0.223 0.000 0.666 266 V HN 0.422 nan 8.190 nan 0.000 0.456 267 S N -0.660 115.078 115.700 0.064 0.000 2.419 267 S HA -0.256 4.214 4.470 -0.001 0.000 0.233 267 S C 1.984 176.536 174.600 -0.081 0.000 1.016 267 S CA 1.582 59.783 58.200 0.002 0.000 0.974 267 S CB -0.242 62.936 63.200 -0.036 0.000 0.786 267 S HN 0.718 nan 8.310 nan 0.000 0.492 268 Q N -1.308 118.359 119.800 -0.222 0.000 2.378 268 Q HA -0.012 4.328 4.340 -0.001 0.000 0.205 268 Q C 1.196 176.954 176.000 -0.403 0.000 0.954 268 Q CA 1.012 56.502 55.803 -0.522 0.000 0.901 268 Q CB -0.086 27.916 28.738 -1.227 0.000 0.981 268 Q HN 0.713 nan 8.270 nan 0.000 0.483 269 Y N 1.000 121.205 120.300 -0.159 0.000 2.475 269 Y HA -0.058 4.491 4.550 -0.001 0.000 0.289 269 Y C 1.640 177.607 175.900 0.111 0.000 1.121 269 Y CA 0.504 58.540 58.100 -0.107 0.000 1.257 269 Y CB 0.511 38.636 38.460 -0.559 0.000 1.026 269 Y HN 0.135 nan 8.280 nan 0.000 0.555 270 Q N 0.366 120.288 119.800 0.203 0.000 2.297 270 Q HA 0.093 4.432 4.340 -0.001 0.000 0.265 270 Q C 0.210 176.286 176.000 0.125 0.000 0.904 270 Q CA 0.185 56.091 55.803 0.172 0.000 0.969 270 Q CB 0.258 29.078 28.738 0.136 0.000 1.115 270 Q HN 0.601 nan 8.270 nan 0.000 0.433 271 Q N 0.588 120.492 119.800 0.174 0.000 2.622 271 Q HA 0.208 4.548 4.340 -0.001 0.000 0.208 271 Q C 0.107 176.147 176.000 0.067 0.000 0.911 271 Q CA 0.380 56.248 55.803 0.108 0.000 0.893 271 Q CB 0.795 29.586 28.738 0.088 0.000 1.124 271 Q HN 0.176 nan 8.270 nan 0.000 0.634 272 K N 0.625 121.058 120.400 0.056 0.000 2.185 272 K HA 0.153 4.472 4.320 -0.001 0.000 0.240 272 K C 0.235 176.605 176.600 -0.383 0.000 0.983 272 K CA -0.416 55.686 56.287 -0.308 0.000 0.873 272 K CB 1.267 33.381 32.500 -0.644 0.000 1.118 272 K HN -0.012 nan 8.250 nan 0.000 0.441 273 D N 0.706 120.907 120.400 -0.331 0.000 2.149 273 D HA 0.009 4.648 4.640 -0.001 0.000 0.206 273 D C 0.128 176.288 176.300 -0.233 0.000 0.967 273 D CA 0.881 54.778 54.000 -0.172 0.000 0.848 273 D CB 0.411 41.157 40.800 -0.089 0.000 0.998 273 D HN 0.393 nan 8.370 nan 0.000 0.474 274 L N -1.349 119.653 121.223 -0.369 0.000 2.341 274 L HA 0.593 4.933 4.340 -0.001 0.000 0.278 274 L C -1.190 175.426 176.870 -0.423 0.000 1.005 274 L CA -0.976 53.715 54.840 -0.248 0.000 0.818 274 L CB 1.610 43.610 42.059 -0.098 0.000 1.259 274 L HN -0.319 nan 8.230 nan 0.000 0.418 275 F N 0.566 120.536 119.950 0.034 0.000 2.508 275 F HA 0.634 5.161 4.527 -0.001 0.000 0.325 275 F C 0.845 176.657 175.800 0.019 0.000 1.090 275 F CA -0.541 57.474 58.000 0.024 0.000 0.945 275 F CB 2.345 41.347 39.000 0.004 0.000 1.156 275 F HN 0.699 nan 8.300 nan 0.000 0.463 276 S N 0.575 116.396 115.700 0.202 0.000 2.632 276 S HA 0.286 4.755 4.470 -0.001 0.000 0.267 276 S C 0.891 175.563 174.600 0.120 0.000 1.276 276 S CA -0.835 57.438 58.200 0.122 0.000 0.998 276 S CB 1.362 64.612 63.200 0.084 0.000 0.953 276 S HN 0.437 nan 8.310 nan 0.000 0.547 277 V N 1.269 121.228 119.914 0.075 0.000 2.332 277 V HA -0.192 3.928 4.120 -0.001 0.000 0.248 277 V C 2.925 179.075 176.094 0.093 0.000 1.055 277 V CA 2.395 64.730 62.300 0.058 0.000 1.038 277 V CB -1.214 30.614 31.823 0.008 0.000 0.651 277 V HN 0.959 nan 8.190 nan 0.000 0.450 278 Q N 0.224 120.078 119.800 0.089 0.000 2.119 278 Q HA -0.190 4.150 4.340 -0.001 0.000 0.201 278 Q C 2.118 178.237 176.000 0.199 0.000 0.972 278 Q CA 1.842 57.724 55.803 0.132 0.000 0.847 278 Q CB -0.247 28.540 28.738 0.080 0.000 0.903 278 Q HN 0.706 nan 8.270 nan 0.000 0.433 279 E N -0.490 119.814 120.200 0.174 0.000 2.072 279 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 279 E C 1.902 178.640 176.600 0.229 0.000 0.985 279 E CA 1.261 57.789 56.400 0.213 0.000 0.801 279 E CB -0.117 29.754 29.700 0.286 0.000 0.750 279 E HN 0.443 nan 8.360 nan 0.000 0.452 280 I N 0.573 121.178 120.570 0.058 0.000 2.394 280 I HA -0.228 3.941 4.170 -0.001 0.000 0.251 280 I C 2.321 178.513 176.117 0.125 0.000 1.136 280 I CA 0.762 61.897 61.300 -0.275 0.000 1.425 280 I CB -0.314 37.563 38.000 -0.204 0.000 1.079 280 I HN 0.348 nan 8.210 nan 0.000 0.425 281 W N 2.489 123.830 121.300 0.067 0.000 2.402 281 W HA -0.128 4.531 4.660 -0.001 0.000 0.286 281 W C 1.478 178.095 176.519 0.163 0.000 1.221 281 W CA 1.092 58.513 57.345 0.127 0.000 1.257 281 W CB 0.087 29.573 29.460 0.043 0.000 1.120 281 W HN 0.179 nan 8.180 nan 0.000 0.551 282 E N 0.047 120.332 120.200 0.142 0.000 2.494 282 E HA -0.083 4.266 4.350 -0.001 0.000 0.193 282 E C 1.433 177.976 176.600 -0.094 0.000 1.074 282 E CA 0.007 56.379 56.400 -0.047 0.000 0.867 282 E CB -0.311 29.389 29.700 0.000 0.000 0.924 282 E HN 0.125 nan 8.360 nan 0.000 0.502 283 F N 0.934 120.671 119.950 -0.356 0.000 2.259 283 F HA -0.086 4.440 4.527 -0.001 0.000 0.298 283 F C 2.169 177.623 175.800 -0.576 0.000 1.088 283 F CA 0.754 58.411 58.000 -0.571 0.000 1.358 283 F CB -0.269 38.183 39.000 -0.913 0.000 1.040 283 F HN 0.076 nan 8.300 nan 0.000 0.505 284 N N 0.180 118.730 118.700 -0.249 0.000 2.396 284 N HA -0.168 4.571 4.740 -0.001 0.000 0.180 284 N C 1.798 177.183 175.510 -0.209 0.000 1.028 284 N CA 0.717 53.659 53.050 -0.181 0.000 0.893 284 N CB -0.152 38.303 38.487 -0.053 0.000 0.967 284 N HN 0.225 nan 8.380 nan 0.000 0.440 285 Q N 0.536 120.052 119.800 -0.473 0.000 2.050 285 Q HA -0.037 4.302 4.340 -0.001 0.000 0.202 285 Q C 1.517 177.294 176.000 -0.372 0.000 0.980 285 Q CA 1.568 56.881 55.803 -0.818 0.000 0.840 285 Q CB 0.077 28.376 28.738 -0.732 0.000 0.898 285 Q HN 0.119 nan 8.270 nan 0.000 0.424 286 K N -0.585 119.642 120.400 -0.289 0.000 2.137 286 K HA 0.130 4.450 4.320 -0.001 0.000 0.202 286 K C 1.931 178.474 176.600 -0.096 0.000 1.052 286 K CA 0.954 57.126 56.287 -0.191 0.000 0.961 286 K CB -0.251 32.082 32.500 -0.278 0.000 0.741 286 K HN 0.255 nan 8.250 nan 0.000 0.452 287 A N 1.249 123.998 122.820 -0.118 0.000 2.121 287 A HA -0.076 4.243 4.320 -0.001 0.000 0.218 287 A C 2.200 179.864 177.584 0.134 0.000 1.154 287 A CA 1.486 53.535 52.037 0.020 0.000 0.679 287 A CB -0.294 18.692 19.000 -0.022 0.000 0.795 287 A HN 0.180 nan 8.150 nan 0.000 0.458 288 S N -1.450 114.281 115.700 0.051 0.000 2.377 288 S HA -0.045 4.425 4.470 -0.001 0.000 0.223 288 S C 1.462 175.979 174.600 -0.138 0.000 1.030 288 S CA 1.154 59.332 58.200 -0.037 0.000 0.970 288 S CB -0.434 62.691 63.200 -0.126 0.000 0.830 288 S HN 0.727 nan 8.310 nan 0.000 0.473 289 Y N 2.316 122.652 120.300 0.060 0.000 2.478 289 Y HA 0.268 4.817 4.550 -0.001 0.000 0.261 289 Y C 1.366 177.264 175.900 -0.003 0.000 1.127 289 Y CA -0.375 57.752 58.100 0.045 0.000 1.288 289 Y CB -0.129 38.337 38.460 0.010 0.000 1.084 289 Y HN 0.140 nan 8.280 nan 0.000 0.530 290 S N 0.223 115.974 115.700 0.085 0.000 2.565 290 S HA 0.026 4.495 4.470 -0.001 0.000 0.276 290 S C -0.221 174.373 174.600 -0.009 0.000 1.326 290 S CA -0.998 57.188 58.200 -0.023 0.000 1.045 290 S CB 1.134 64.305 63.200 -0.049 0.000 0.918 290 S HN 0.208 nan 8.310 nan 0.000 0.505 291 D N 1.303 121.661 120.400 -0.070 0.000 2.382 291 D HA 0.128 4.768 4.640 -0.001 0.000 0.245 291 D C 1.102 177.441 176.300 0.064 0.000 1.120 291 D CA -0.319 53.690 54.000 0.016 0.000 0.890 291 D CB 1.484 42.327 40.800 0.071 0.000 1.201 291 D HN 0.347 nan 8.370 nan 0.000 0.433 292 V N 3.442 123.391 119.914 0.059 0.000 2.346 292 V HA -0.195 3.925 4.120 -0.001 0.000 0.244 292 V C 1.074 177.335 176.094 0.279 0.000 1.037 292 V CA 1.459 63.810 62.300 0.086 0.000 1.029 292 V CB -0.619 31.198 31.823 -0.010 0.000 0.663 292 V HN 0.632 nan 8.190 nan 0.000 0.454 293 N N -0.792 118.150 118.700 0.403 0.000 2.994 293 N HA 0.016 4.755 4.740 -0.001 0.000 0.306 293 N C 0.462 176.528 175.510 0.926 0.000 1.348 293 N CA -0.267 53.208 53.050 0.709 0.000 1.109 293 N CB -0.301 38.624 38.487 0.730 0.000 1.415 293 N HN 0.708 nan 8.380 nan 0.000 0.529 294 W N 0.791 122.281 121.300 0.317 0.000 3.097 294 W HA 0.228 4.887 4.660 -0.001 0.000 0.245 294 W C 0.819 177.338 176.519 0.000 0.000 1.120 294 W CA -0.282 57.146 57.345 0.139 0.000 1.468 294 W CB 0.384 29.786 29.460 -0.097 0.000 0.851 294 W HN 0.138 nan 8.180 nan 0.000 0.692 295 R N -0.016 120.272 120.500 -0.354 0.000 2.189 295 R HA -0.164 4.176 4.340 -0.001 0.000 0.223 295 R C 1.469 177.444 176.300 -0.542 0.000 1.092 295 R CA 1.794 57.522 56.100 -0.621 0.000 0.989 295 R CB -0.337 29.500 30.300 -0.771 0.000 0.876 295 R HN 0.282 nan 8.270 nan 0.000 0.457 296 Y N -2.606 117.703 120.300 0.015 0.000 2.507 296 Y HA 0.156 4.705 4.550 -0.001 0.000 0.263 296 Y C 1.334 177.217 175.900 -0.028 0.000 1.093 296 Y CA -0.075 58.021 58.100 -0.006 0.000 1.285 296 Y CB 0.049 38.446 38.460 -0.105 0.000 1.115 296 Y HN -0.107 nan 8.280 nan 0.000 0.533 297 F N -0.389 119.720 119.950 0.265 0.000 2.619 297 F HA 0.181 4.708 4.527 -0.001 0.000 0.293 297 F C 2.361 178.160 175.800 -0.003 0.000 1.119 297 F CA 0.292 58.467 58.000 0.293 0.000 1.445 297 F CB -0.117 39.217 39.000 0.557 0.000 1.119 297 F HN -0.171 nan 8.300 nan 0.000 0.573 298 R N 0.651 121.007 120.500 -0.241 0.000 2.081 298 R HA -0.121 4.219 4.340 -0.001 0.000 0.235 298 R C -0.767 175.410 176.300 -0.205 0.000 1.131 298 R CA 1.596 57.396 56.100 -0.500 0.000 0.960 298 R CB -1.336 28.404 30.300 -0.934 0.000 0.856 298 R HN 0.156 nan 8.270 nan 0.000 0.436 299 P HA -0.069 nan 4.420 nan 0.000 0.221 299 P C 0.135 177.356 177.300 -0.131 0.000 1.150 299 P CA 1.308 64.328 63.100 -0.133 0.000 0.800 299 P CB 0.028 31.637 31.700 -0.152 0.000 0.787 300 H N -1.932 117.159 119.070 0.036 0.000 2.547 300 H HA 0.189 4.745 4.556 -0.001 0.000 0.266 300 H C 1.400 176.785 175.328 0.094 0.000 0.988 300 H CA 0.510 56.616 56.048 0.096 0.000 1.147 300 H CB -0.407 29.464 29.762 0.182 0.000 1.365 300 H HN 0.088 nan 8.280 nan 0.000 0.589 301 L N -0.998 120.288 121.223 0.105 0.000 2.781 301 L HA 0.117 4.457 4.340 -0.001 0.000 0.245 301 L C 1.610 178.486 176.870 0.011 0.000 1.118 301 L CA 0.213 55.077 54.840 0.040 0.000 0.918 301 L CB 0.460 42.501 42.059 -0.029 0.000 1.246 301 L HN 0.196 nan 8.230 nan 0.000 0.526 302 E N 1.257 121.451 120.200 -0.011 0.000 2.072 302 E HA -0.204 4.146 4.350 -0.001 0.000 0.190 302 E C 1.610 178.209 176.600 -0.002 0.000 0.982 302 E CA 0.983 57.373 56.400 -0.016 0.000 0.803 302 E CB 0.107 29.782 29.700 -0.041 0.000 0.755 302 E HN 0.375 nan 8.360 nan 0.000 0.453 303 K N 0.804 121.204 120.400 0.001 0.000 2.551 303 K HA -0.021 4.299 4.320 -0.001 0.000 0.192 303 K C 1.500 178.121 176.600 0.035 0.000 1.027 303 K CA 0.165 56.458 56.287 0.010 0.000 1.059 303 K CB 0.306 32.807 32.500 0.001 0.000 0.831 303 K HN 0.018 nan 8.250 nan 0.000 0.508 304 L N 1.635 122.886 121.223 0.047 0.000 2.056 304 L HA 0.116 4.456 4.340 -0.001 0.000 0.202 304 L C 2.523 179.432 176.870 0.064 0.000 1.086 304 L CA 1.951 56.834 54.840 0.072 0.000 0.758 304 L CB -1.473 40.631 42.059 0.074 0.000 0.912 304 L HN 0.331 nan 8.230 nan 0.000 0.446 305 A N -0.299 122.549 122.820 0.047 0.000 2.009 305 A HA -0.205 4.115 4.320 -0.001 0.000 0.222 305 A C 0.776 178.382 177.584 0.036 0.000 1.175 305 A CA 1.834 53.896 52.037 0.041 0.000 0.651 305 A CB -0.550 18.466 19.000 0.027 0.000 0.815 305 A HN 0.707 nan 8.150 nan 0.000 0.459 306 Q N -3.068 116.749 119.800 0.028 0.000 2.389 306 Q HA 0.589 4.929 4.340 -0.001 0.000 0.277 306 Q C -0.690 175.320 176.000 0.017 0.000 1.082 306 Q CA -0.705 55.109 55.803 0.020 0.000 0.810 306 Q CB 1.229 29.973 28.738 0.011 0.000 1.374 306 Q HN 0.279 nan 8.270 nan 0.000 0.422 307 Q N 0.763 120.570 119.800 0.012 0.000 2.431 307 Q HA 0.112 4.452 4.340 -0.001 0.000 0.210 307 Q C -0.278 175.731 176.000 0.015 0.000 0.958 307 Q CA -0.178 55.631 55.803 0.010 0.000 0.957 307 Q CB -0.067 28.674 28.738 0.004 0.000 1.007 307 Q HN 0.527 nan 8.270 nan 0.000 0.511 308 L N 2.697 123.935 121.223 0.025 0.000 2.706 308 L HA -0.036 4.304 4.340 -0.001 0.000 0.282 308 L C -2.184 174.705 176.870 0.032 0.000 1.219 308 L CA -0.745 54.116 54.840 0.034 0.000 0.935 308 L CB 0.258 42.358 42.059 0.068 0.000 1.204 308 L HN -0.050 nan 8.230 nan 0.000 0.491 309 P HA -0.018 nan 4.420 nan 0.000 0.262 309 P C -0.635 176.683 177.300 0.030 0.000 1.182 309 P CA 0.252 63.364 63.100 0.021 0.000 0.761 309 P CB 0.578 32.287 31.700 0.015 0.000 0.795 310 A N 2.760 125.594 122.820 0.022 0.000 2.916 310 A HA 0.052 4.371 4.320 -0.001 0.000 0.254 310 A C 0.546 178.142 177.584 0.021 0.000 1.544 310 A CA 0.202 52.252 52.037 0.022 0.000 1.224 310 A CB -1.117 17.892 19.000 0.015 0.000 1.012 310 A HN 0.388 nan 8.150 nan 0.000 0.636 311 D N 0.715 121.131 120.400 0.027 0.000 2.328 311 D HA 0.088 4.728 4.640 -0.001 0.000 0.226 311 D C -0.375 175.941 176.300 0.028 0.000 1.066 311 D CA 0.367 54.382 54.000 0.024 0.000 0.861 311 D CB 0.053 40.868 40.800 0.025 0.000 0.912 311 D HN 0.412 nan 8.370 nan 0.000 0.521 312 D N 0.136 120.554 120.400 0.030 0.000 2.705 312 D HA -0.148 4.491 4.640 -0.001 0.000 0.240 312 D C -0.669 175.654 176.300 0.039 0.000 1.137 312 D CA 0.955 54.971 54.000 0.027 0.000 0.677 312 D CB -1.735 39.073 40.800 0.013 0.000 1.049 312 D HN 0.314 nan 8.370 nan 0.000 0.427 313 S N -1.978 113.760 115.700 0.063 0.000 2.356 313 S HA 0.489 4.959 4.470 -0.001 0.000 0.171 313 S C 0.862 175.552 174.600 0.150 0.000 1.399 313 S CA 0.084 58.337 58.200 0.087 0.000 1.225 313 S CB 1.339 64.591 63.200 0.086 0.000 1.271 313 S HN 0.130 nan 8.310 nan 0.000 0.427 314 S N 2.086 117.828 115.700 0.070 0.000 2.438 314 S HA 0.289 4.759 4.470 -0.001 0.000 0.220 314 S C 1.162 175.776 174.600 0.023 0.000 1.045 314 S CA 0.457 58.672 58.200 0.026 0.000 0.940 314 S CB -0.738 62.456 63.200 -0.009 0.000 0.863 314 S HN 0.708 nan 8.310 nan 0.000 0.539 315 K N 0.428 120.835 120.400 0.011 0.000 3.363 315 K HA -0.287 4.033 4.320 -0.001 0.000 0.313 315 K C 1.244 177.846 176.600 0.004 0.000 1.259 315 K CA 0.633 56.929 56.287 0.015 0.000 0.942 315 K CB -1.663 30.857 32.500 0.033 0.000 1.229 315 K HN 0.591 nan 8.250 nan 0.000 0.440 316 A N -0.088 122.732 122.820 -0.001 0.000 1.872 316 A HA 0.135 4.454 4.320 -0.001 0.000 0.214 316 A C 2.116 179.686 177.584 -0.023 0.000 1.187 316 A CA 1.661 53.687 52.037 -0.018 0.000 0.614 316 A CB -0.336 18.648 19.000 -0.027 0.000 0.826 316 A HN 0.545 nan 8.150 nan 0.000 0.442 317 A N -1.428 121.392 122.820 0.001 0.000 2.115 317 A HA 0.340 4.659 4.320 -0.001 0.000 0.211 317 A C 1.913 179.500 177.584 0.006 0.000 1.169 317 A CA 0.837 52.883 52.037 0.014 0.000 0.787 317 A CB -0.352 18.700 19.000 0.086 0.000 0.858 317 A HN 0.469 nan 8.150 nan 0.000 0.474 318 L N -0.306 120.915 121.223 -0.003 0.000 2.083 318 L HA -0.090 4.249 4.340 -0.001 0.000 0.209 318 L C 2.449 179.328 176.870 0.015 0.000 1.083 318 L CA 2.591 57.425 54.840 -0.009 0.000 0.752 318 L CB -0.675 41.373 42.059 -0.018 0.000 0.899 318 L HN 0.346 nan 8.230 nan 0.000 0.433 319 T N -1.508 113.054 114.554 0.015 0.000 2.995 319 T HA -0.125 4.225 4.350 -0.001 0.000 0.269 319 T C 1.772 176.490 174.700 0.031 0.000 1.091 319 T CA 1.212 63.325 62.100 0.022 0.000 1.128 319 T CB -0.156 68.719 68.868 0.012 0.000 0.891 319 T HN 0.315 nan 8.240 nan 0.000 0.492 320 M N 0.085 119.699 119.600 0.023 0.000 2.248 320 M HA 0.116 4.595 4.480 -0.001 0.000 0.265 320 M C 1.794 178.130 176.300 0.061 0.000 1.079 320 M CA 1.163 56.478 55.300 0.026 0.000 1.150 320 M CB -0.625 31.970 32.600 -0.008 0.000 1.366 320 M HN 0.279 nan 8.290 nan 0.000 0.433 321 L N 1.177 122.437 121.223 0.062 0.000 2.263 321 L HA -0.223 4.116 4.340 -0.001 0.000 0.216 321 L C 2.157 179.215 176.870 0.314 0.000 1.111 321 L CA 0.886 55.800 54.840 0.123 0.000 0.773 321 L CB -0.866 41.264 42.059 0.118 0.000 0.906 321 L HN 0.310 nan 8.230 nan 0.000 0.439 322 L N -1.108 120.247 121.223 0.220 0.000 2.240 322 L HA 0.009 4.348 4.340 -0.001 0.000 0.211 322 L C 2.327 179.335 176.870 0.230 0.000 1.106 322 L CA 1.490 56.466 54.840 0.227 0.000 0.793 322 L CB -1.579 40.547 42.059 0.111 0.000 0.927 322 L HN 0.274 nan 8.230 nan 0.000 0.446 323 A N -2.249 120.679 122.820 0.180 0.000 2.276 323 A HA -0.102 4.218 4.320 -0.001 0.000 0.212 323 A C 0.391 178.096 177.584 0.202 0.000 1.230 323 A CA -0.335 51.788 52.037 0.145 0.000 0.844 323 A CB -0.734 18.320 19.000 0.089 0.000 0.860 323 A HN 0.386 nan 8.150 nan 0.000 0.486 324 W N 2.000 123.314 121.300 0.024 0.000 2.338 324 W HA 0.397 5.057 4.660 -0.001 0.000 0.307 324 W C 0.223 176.714 176.519 -0.046 0.000 1.167 324 W CA -0.930 56.345 57.345 -0.116 0.000 1.208 324 W CB 0.952 30.181 29.460 -0.386 0.000 1.228 324 W HN 0.406 nan 8.180 nan 0.000 0.499 325 D N 2.944 123.063 120.400 -0.467 0.000 2.355 325 D HA 0.075 4.714 4.640 -0.001 0.000 0.218 325 D C 1.162 176.968 176.300 -0.823 0.000 1.004 325 D CA 0.584 54.327 54.000 -0.428 0.000 0.880 325 D CB -0.322 40.306 40.800 -0.287 0.000 0.911 325 D HN 0.702 nan 8.370 nan 0.000 0.528 326 G N 0.488 108.027 108.800 -2.102 0.000 2.470 326 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.286 326 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.286 326 G C -0.515 173.664 174.900 -1.201 0.000 1.115 326 G CA 0.251 43.875 45.100 -2.460 0.000 1.122 326 G HN 0.406 nan 8.290 nan 0.000 0.522 327 M N -0.297 118.729 119.600 -0.957 0.000 2.413 327 M HA 0.477 4.957 4.480 -0.001 0.000 0.287 327 M C -0.429 175.922 176.300 0.085 0.000 1.186 327 M CA -0.495 54.651 55.300 -0.257 0.000 0.927 327 M CB 1.620 34.076 32.600 -0.240 0.000 1.715 327 M HN 0.216 nan 8.290 nan 0.000 0.478 328 E N 2.885 123.195 120.200 0.183 0.000 2.290 328 E HA 0.216 4.566 4.350 -0.001 0.000 0.277 328 E C -0.995 175.685 176.600 0.133 0.000 1.035 328 E CA -0.151 56.394 56.400 0.241 0.000 0.873 328 E CB 0.740 30.635 29.700 0.324 0.000 1.029 328 E HN 0.352 nan 8.360 nan 0.000 0.419 329 Q N 3.480 123.355 119.800 0.126 0.000 2.363 329 Q HA 0.128 4.468 4.340 -0.001 0.000 0.265 329 Q C -0.810 175.227 176.000 0.062 0.000 1.032 329 Q CA -0.599 55.238 55.803 0.057 0.000 0.746 329 Q CB 1.530 30.304 28.738 0.059 0.000 1.237 329 Q HN 0.602 nan 8.270 nan 0.000 0.475 330 D N 0.501 120.928 120.400 0.046 0.000 2.264 330 D HA 0.089 4.728 4.640 -0.001 0.000 0.249 330 D C 0.244 176.566 176.300 0.037 0.000 1.070 330 D CA -0.268 53.766 54.000 0.057 0.000 0.912 330 D CB 2.257 43.101 40.800 0.074 0.000 1.193 330 D HN 0.504 nan 8.370 nan 0.000 0.427 331 Q N 0.561 120.385 119.800 0.041 0.000 2.286 331 Q HA 0.168 4.507 4.340 -0.001 0.000 0.243 331 Q C 1.078 177.099 176.000 0.034 0.000 0.752 331 Q CA 0.383 56.204 55.803 0.030 0.000 0.950 331 Q CB 0.647 29.400 28.738 0.026 0.000 1.253 331 Q HN 0.681 nan 8.270 nan 0.000 0.492 332 G N -0.172 108.652 108.800 0.041 0.000 2.766 332 G HA2 0.488 4.447 3.960 -0.001 0.000 0.201 332 G HA3 0.488 4.447 3.960 -0.001 0.000 0.201 332 G C 0.257 175.187 174.900 0.050 0.000 1.177 332 G CA 0.530 45.654 45.100 0.041 0.000 0.773 332 G HN 0.309 nan 8.290 nan 0.000 0.648 333 G N -1.321 107.512 108.800 0.056 0.000 2.704 333 G HA2 0.505 4.464 3.960 -0.001 0.000 0.293 333 G HA3 0.505 4.464 3.960 -0.001 0.000 0.293 333 G C -1.415 173.517 174.900 0.054 0.000 1.421 333 G CA -0.460 44.673 45.100 0.054 0.000 0.870 333 G HN 0.369 nan 8.290 nan 0.000 0.492 334 Q N -0.469 119.359 119.800 0.048 0.000 2.418 334 Q HA -0.137 4.202 4.340 -0.001 0.000 0.290 334 Q C -0.556 175.475 176.000 0.051 0.000 1.266 334 Q CA 0.114 55.944 55.803 0.045 0.000 0.732 334 Q CB -0.756 28.006 28.738 0.040 0.000 0.850 334 Q HN 0.669 nan 8.270 nan 0.000 0.314 335 N N 1.064 119.795 118.700 0.051 0.000 2.458 335 N HA 0.535 5.274 4.740 -0.001 0.000 0.270 335 N C -0.568 174.969 175.510 0.045 0.000 1.102 335 N CA 0.504 53.590 53.050 0.058 0.000 0.967 335 N CB 0.996 39.519 38.487 0.059 0.000 1.078 335 N HN 0.593 nan 8.380 nan 0.000 0.471 336 A N 2.386 125.236 122.820 0.049 0.000 2.655 336 A HA 0.531 4.851 4.320 -0.001 0.000 0.297 336 A C 0.723 178.328 177.584 0.036 0.000 1.461 336 A CA 0.360 52.419 52.037 0.037 0.000 1.146 336 A CB -1.038 17.982 19.000 0.033 0.000 1.108 336 A HN 0.788 nan 8.150 nan 0.000 0.550 337 G N 3.202 112.011 108.800 0.015 0.000 2.764 337 G HA2 0.172 4.131 3.960 -0.001 0.000 0.678 337 G HA3 0.172 4.131 3.960 -0.001 0.000 0.678 337 G C -2.431 172.442 174.900 -0.045 0.000 1.341 337 G CA -0.266 44.827 45.100 -0.012 0.000 0.836 337 G HN 0.307 nan 8.290 nan 0.000 0.632 338 P HA 0.308 nan 4.420 nan 0.000 0.256 338 P C 1.391 178.628 177.300 -0.105 0.000 1.384 338 P CA 0.884 63.992 63.100 0.013 0.000 0.879 338 P CB 0.768 32.539 31.700 0.118 0.000 1.403 339 A N 0.653 123.289 122.820 -0.306 0.000 1.874 339 A HA -0.097 4.222 4.320 -0.001 0.000 0.214 339 A C 2.433 179.492 177.584 -0.875 0.000 1.189 339 A CA 0.914 52.596 52.037 -0.591 0.000 0.615 339 A CB -0.851 17.641 19.000 -0.846 0.000 0.830 339 A HN 0.031 nan 8.150 nan 0.000 0.443 340 R N -0.078 119.834 120.500 -0.980 0.000 2.090 340 R HA -0.070 4.269 4.340 -0.001 0.000 0.228 340 R C 1.879 177.973 176.300 -0.344 0.000 1.110 340 R CA 1.570 57.204 56.100 -0.777 0.000 0.973 340 R CB -0.278 29.804 30.300 -0.363 0.000 0.869 340 R HN 0.359 nan 8.270 nan 0.000 0.440 341 V N 1.471 121.234 119.914 -0.251 0.000 2.358 341 V HA -0.242 3.878 4.120 -0.001 0.000 0.246 341 V C 2.419 178.396 176.094 -0.194 0.000 1.047 341 V CA 1.296 63.481 62.300 -0.191 0.000 1.035 341 V CB -0.643 31.108 31.823 -0.119 0.000 0.658 341 V HN 0.371 nan 8.190 nan 0.000 0.452 342 L N -0.708 120.433 121.223 -0.136 0.000 2.093 342 L HA -0.106 4.234 4.340 -0.001 0.000 0.208 342 L C 2.310 179.162 176.870 -0.029 0.000 1.085 342 L CA 2.147 56.942 54.840 -0.074 0.000 0.755 342 L CB -0.660 41.411 42.059 0.019 0.000 0.904 342 L HN 0.406 nan 8.230 nan 0.000 0.435 343 F N 1.134 120.949 119.950 -0.224 0.000 2.234 343 F HA -0.193 4.333 4.527 -0.001 0.000 0.299 343 F C 2.610 178.350 175.800 -0.100 0.000 1.087 343 F CA 1.707 59.638 58.000 -0.115 0.000 1.340 343 F CB -0.141 38.744 39.000 -0.191 0.000 1.031 343 F HN 0.027 nan 8.300 nan 0.000 0.500 344 K N -0.190 120.007 120.400 -0.338 0.000 2.025 344 K HA -0.166 4.153 4.320 -0.001 0.000 0.207 344 K C 1.994 178.340 176.600 -0.423 0.000 1.049 344 K CA 2.020 57.909 56.287 -0.663 0.000 0.933 344 K CB -0.514 31.518 32.500 -0.780 0.000 0.714 344 K HN 0.392 nan 8.250 nan 0.000 0.438 345 T N -2.158 112.224 114.554 -0.287 0.000 2.995 345 T HA -0.142 4.208 4.350 -0.001 0.000 0.269 345 T C 1.578 176.166 174.700 -0.186 0.000 1.091 345 T CA 0.671 62.637 62.100 -0.224 0.000 1.128 345 T CB -0.436 68.307 68.868 -0.208 0.000 0.891 345 T HN 0.553 nan 8.240 nan 0.000 0.492 346 W N 1.721 122.809 121.300 -0.354 0.000 2.379 346 W HA 0.187 4.846 4.660 -0.001 0.000 0.307 346 W C 1.701 177.947 176.519 -0.455 0.000 1.200 346 W CA 0.491 57.630 57.345 -0.343 0.000 1.297 346 W CB -0.415 28.865 29.460 -0.301 0.000 1.140 346 W HN 0.169 nan 8.180 nan 0.000 0.507 347 L N 0.586 121.428 121.223 -0.635 0.000 2.083 347 L HA -0.195 4.144 4.340 -0.001 0.000 0.209 347 L C 2.404 178.614 176.870 -1.100 0.000 1.083 347 L CA 1.784 56.030 54.840 -0.990 0.000 0.752 347 L CB -0.787 40.865 42.059 -0.679 0.000 0.899 347 L HN 0.029 nan 8.230 nan 0.000 0.433 348 E N -0.402 119.441 120.200 -0.595 0.000 2.110 348 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 348 E C 2.026 178.438 176.600 -0.313 0.000 0.988 348 E CA 0.840 57.053 56.400 -0.312 0.000 0.804 348 E CB 0.063 29.674 29.700 -0.147 0.000 0.745 348 E HN 0.387 nan 8.360 nan 0.000 0.458 349 E N -0.015 119.952 120.200 -0.388 0.000 2.285 349 E HA -0.056 4.294 4.350 -0.001 0.000 0.194 349 E C 1.927 178.300 176.600 -0.377 0.000 0.997 349 E CA 0.489 56.706 56.400 -0.306 0.000 0.845 349 E CB 0.065 29.612 29.700 -0.255 0.000 0.782 349 E HN 0.290 nan 8.360 nan 0.000 0.491 350 M N -0.150 119.059 119.600 -0.652 0.000 2.229 350 M HA -0.111 4.369 4.480 -0.001 0.000 0.264 350 M C 1.747 177.852 176.300 -0.325 0.000 1.063 350 M CA 1.094 56.032 55.300 -0.603 0.000 1.114 350 M CB -0.687 31.349 32.600 -0.940 0.000 1.387 350 M HN 0.116 nan 8.290 nan 0.000 0.420 351 Y N 0.515 120.714 120.300 -0.168 0.000 2.314 351 Y HA -0.082 4.468 4.550 -0.001 0.000 0.293 351 Y C 2.306 178.160 175.900 -0.077 0.000 1.129 351 Y CA 0.782 58.828 58.100 -0.090 0.000 1.201 351 Y CB -0.977 37.450 38.460 -0.056 0.000 0.999 351 Y HN 0.229 nan 8.280 nan 0.000 0.541 352 K N -0.262 120.159 120.400 0.034 0.000 2.097 352 K HA -0.135 4.185 4.320 -0.001 0.000 0.205 352 K C 1.956 178.548 176.600 -0.012 0.000 1.050 352 K CA 1.097 57.386 56.287 0.004 0.000 0.938 352 K CB -0.055 32.428 32.500 -0.028 0.000 0.718 352 K HN 0.284 nan 8.250 nan 0.000 0.442 353 Q N 0.006 119.787 119.800 -0.032 0.000 2.212 353 Q HA -0.020 4.320 4.340 -0.001 0.000 0.199 353 Q C 2.123 178.131 176.000 0.012 0.000 0.950 353 Q CA 1.029 56.824 55.803 -0.014 0.000 0.863 353 Q CB 0.417 29.140 28.738 -0.025 0.000 0.944 353 Q HN 0.157 nan 8.270 nan 0.000 0.465 354 V N -0.269 119.653 119.914 0.014 0.000 2.743 354 V HA -0.011 4.108 4.120 -0.001 0.000 0.237 354 V C 2.150 178.215 176.094 -0.047 0.000 1.113 354 V CA 0.509 62.812 62.300 0.005 0.000 1.141 354 V CB -0.272 31.567 31.823 0.028 0.000 0.873 354 V HN 0.099 nan 8.190 nan 0.000 0.486 355 L N -0.749 120.458 121.223 -0.027 0.000 2.127 355 L HA -0.011 4.329 4.340 -0.001 0.000 0.203 355 L C 2.557 179.375 176.870 -0.086 0.000 1.080 355 L CA 1.247 56.034 54.840 -0.089 0.000 0.768 355 L CB -0.369 41.656 42.059 -0.056 0.000 0.924 355 L HN 0.263 nan 8.230 nan 0.000 0.444 356 M N -0.213 119.373 119.600 -0.025 0.000 2.149 356 M HA -0.148 4.332 4.480 -0.001 0.000 0.261 356 M C -0.292 175.988 176.300 -0.033 0.000 1.064 356 M CA 1.956 57.245 55.300 -0.020 0.000 1.102 356 M CB -1.476 31.127 32.600 0.005 0.000 1.369 356 M HN 0.124 nan 8.290 nan 0.000 0.408 357 P HA -0.099 nan 4.420 nan 0.000 0.218 357 P C 1.554 178.823 177.300 -0.052 0.000 1.149 357 P CA 1.230 64.309 63.100 -0.035 0.000 0.817 357 P CB -0.200 31.483 31.700 -0.028 0.000 0.785 358 V N -4.593 115.272 119.914 -0.081 0.000 2.825 358 V HA 0.079 4.198 4.120 -0.001 0.000 0.246 358 V C 1.021 177.043 176.094 -0.120 0.000 1.068 358 V CA 0.320 62.558 62.300 -0.103 0.000 1.088 358 V CB -1.019 30.724 31.823 -0.133 0.000 0.733 358 V HN -0.240 nan 8.190 nan 0.000 0.468 359 V N 3.548 123.377 119.914 -0.143 0.000 2.508 359 V HA 0.286 4.405 4.120 -0.001 0.000 0.281 359 V C -1.814 174.255 176.094 -0.042 0.000 1.041 359 V CA -1.113 61.105 62.300 -0.137 0.000 1.016 359 V CB 0.430 32.138 31.823 -0.192 0.000 0.984 359 V HN 0.396 nan 8.190 nan 0.000 0.478 360 P HA 0.064 nan 4.420 nan 0.000 0.271 360 P C 0.807 178.141 177.300 0.056 0.000 1.244 360 P CA -0.196 62.927 63.100 0.038 0.000 0.793 360 P CB 0.756 32.505 31.700 0.083 0.000 0.984 361 E N 0.251 120.472 120.200 0.035 0.000 2.110 361 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 361 E C 1.637 178.235 176.600 -0.002 0.000 0.988 361 E CA 1.790 58.198 56.400 0.014 0.000 0.804 361 E CB -0.522 29.180 29.700 0.003 0.000 0.745 361 E HN 0.282 nan 8.360 nan 0.000 0.458 362 S N -0.685 115.006 115.700 -0.015 0.000 2.368 362 S HA -0.109 4.361 4.470 -0.001 0.000 0.224 362 S C 0.917 175.361 174.600 -0.261 0.000 1.029 362 S CA 1.286 59.394 58.200 -0.154 0.000 0.988 362 S CB -0.295 62.769 63.200 -0.227 0.000 0.838 362 S HN 0.459 nan 8.310 nan 0.000 0.462 363 H N -0.189 118.891 119.070 0.016 0.000 2.505 363 H HA 0.365 4.921 4.556 -0.001 0.000 0.289 363 H C 1.615 176.997 175.328 0.089 0.000 1.052 363 H CA -0.145 55.929 56.048 0.044 0.000 1.156 363 H CB 0.168 29.973 29.762 0.072 0.000 1.507 363 H HN 0.103 nan 8.280 nan 0.000 0.548 364 R N 0.584 121.152 120.500 0.113 0.000 2.115 364 R HA 0.010 4.349 4.340 -0.001 0.000 0.226 364 R C 2.039 178.374 176.300 0.058 0.000 1.100 364 R CA 0.926 57.080 56.100 0.090 0.000 0.980 364 R CB 0.068 30.390 30.300 0.037 0.000 0.875 364 R HN 0.360 nan 8.270 nan 0.000 0.445 365 A N 0.125 122.953 122.820 0.014 0.000 2.119 365 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 365 A C 1.963 179.508 177.584 -0.065 0.000 1.153 365 A CA 0.818 52.839 52.037 -0.026 0.000 0.692 365 A CB -0.296 18.682 19.000 -0.037 0.000 0.799 365 A HN 0.348 nan 8.150 nan 0.000 0.458 366 M N -2.242 117.317 119.600 -0.068 0.000 2.419 366 M HA -0.010 4.469 4.480 -0.001 0.000 0.264 366 M C 1.016 177.050 176.300 -0.444 0.000 1.082 366 M CA 1.398 56.559 55.300 -0.233 0.000 1.119 366 M CB 0.107 32.559 32.600 -0.245 0.000 1.398 366 M HN 0.538 nan 8.290 nan 0.000 0.453 367 Y N -1.968 118.230 120.300 -0.170 0.000 2.444 367 Y HA 0.142 4.692 4.550 -0.001 0.000 0.252 367 Y C 2.565 178.156 175.900 -0.515 0.000 1.091 367 Y CA 0.524 58.445 58.100 -0.298 0.000 1.276 367 Y CB 0.051 38.389 38.460 -0.204 0.000 1.170 367 Y HN 0.301 nan 8.280 nan 0.000 0.517 368 S N -0.492 115.098 115.700 -0.183 0.000 2.461 368 S HA -0.053 4.416 4.470 -0.001 0.000 0.228 368 S C 0.716 175.200 174.600 -0.193 0.000 1.005 368 S CA 0.096 58.199 58.200 -0.162 0.000 0.942 368 S CB -0.341 62.846 63.200 -0.021 0.000 0.776 368 S HN 0.347 nan 8.310 nan 0.000 0.514 369 Q N 0.862 120.535 119.800 -0.211 0.000 2.332 369 Q HA 0.196 4.536 4.340 -0.001 0.000 0.263 369 Q C 0.874 176.824 176.000 -0.085 0.000 0.979 369 Q CA 0.256 55.998 55.803 -0.102 0.000 0.885 369 Q CB 0.991 29.679 28.738 -0.083 0.000 1.218 369 Q HN 0.333 nan 8.270 nan 0.000 0.405 370 T N 1.027 115.672 114.554 0.152 0.000 3.054 370 T HA 0.115 4.465 4.350 -0.001 0.000 0.259 370 T C 0.932 175.840 174.700 0.347 0.000 1.092 370 T CA 0.850 63.170 62.100 0.367 0.000 1.121 370 T CB -0.187 68.898 68.868 0.361 0.000 0.912 370 T HN 0.995 nan 8.240 nan 0.000 0.489 371 G N 1.033 109.962 108.800 0.215 0.000 2.289 371 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.280 371 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.280 371 G C -0.168 174.801 174.900 0.114 0.000 1.089 371 G CA -0.120 45.057 45.100 0.127 0.000 0.939 371 G HN 0.517 nan 8.290 nan 0.000 0.499 372 F N 0.368 120.340 119.950 0.037 0.000 2.470 372 F HA 0.714 5.240 4.527 -0.001 0.000 0.329 372 F C 0.820 176.595 175.800 -0.042 0.000 1.072 372 F CA -0.188 57.832 58.000 0.034 0.000 0.989 372 F CB 1.797 40.830 39.000 0.054 0.000 1.193 372 F HN 0.386 nan 8.300 nan 0.000 0.481 373 A N 1.987 124.838 122.820 0.051 0.000 2.425 373 A HA 0.518 4.838 4.320 -0.001 0.000 0.249 373 A C -0.039 177.527 177.584 -0.031 0.000 1.084 373 A CA 0.057 52.004 52.037 -0.149 0.000 0.781 373 A CB 0.488 19.309 19.000 -0.298 0.000 1.019 373 A HN 0.697 nan 8.150 nan 0.000 0.490 374 T N -0.167 114.323 114.554 -0.107 0.000 2.901 374 T HA 0.355 4.705 4.350 -0.001 0.000 0.293 374 T C 0.866 175.534 174.700 -0.053 0.000 1.084 374 T CA -0.138 61.939 62.100 -0.039 0.000 1.008 374 T CB 1.561 70.417 68.868 -0.020 0.000 1.170 374 T HN 0.768 nan 8.240 nan 0.000 0.509 375 Q N 0.621 120.412 119.800 -0.016 0.000 1.994 375 Q HA -0.046 4.294 4.340 -0.001 0.000 0.198 375 Q C 1.761 177.754 176.000 -0.011 0.000 0.976 375 Q CA 1.632 57.432 55.803 -0.005 0.000 0.828 375 Q CB -0.010 28.735 28.738 0.013 0.000 0.894 375 Q HN 0.768 nan 8.270 nan 0.000 0.432 376 Q N -0.495 119.301 119.800 -0.007 0.000 2.304 376 Q HA 0.169 4.509 4.340 -0.001 0.000 0.204 376 Q C 0.534 176.532 176.000 -0.004 0.000 0.936 376 Q CA 0.292 56.094 55.803 -0.000 0.000 0.878 376 Q CB 0.316 29.057 28.738 0.005 0.000 0.983 376 Q HN 0.351 nan 8.270 nan 0.000 0.516 377 G N 2.825 111.619 108.800 -0.010 0.000 2.353 377 G HA2 0.147 4.107 3.960 -0.001 0.000 0.239 377 G HA3 0.147 4.107 3.960 -0.001 0.000 0.239 377 G C -2.485 172.407 174.900 -0.014 0.000 1.295 377 G CA -0.814 44.281 45.100 -0.008 0.000 0.884 377 G HN 0.013 nan 8.290 nan 0.000 0.537 378 P HA 0.045 nan 4.420 nan 0.000 0.263 378 P C -0.038 177.267 177.300 0.008 0.000 1.345 378 P CA -0.095 63.017 63.100 0.019 0.000 1.119 378 P CB -0.046 31.680 31.700 0.044 0.000 1.363 379 N N 4.167 122.850 118.700 -0.029 0.000 2.524 379 N HA 0.342 5.082 4.740 -0.001 0.000 0.283 379 N C -2.086 173.439 175.510 0.025 0.000 1.142 379 N CA -1.521 51.494 53.050 -0.057 0.000 0.984 379 N CB 0.500 38.850 38.487 -0.228 0.000 1.155 379 N HN 0.166 nan 8.380 nan 0.000 0.467 380 P HA 0.089 nan 4.420 nan 0.000 0.273 380 P C 0.943 178.366 177.300 0.206 0.000 1.250 380 P CA -0.322 62.847 63.100 0.116 0.000 0.793 380 P CB 0.347 32.104 31.700 0.095 0.000 1.011 381 G N -0.221 108.666 108.800 0.145 0.000 2.625 381 G HA2 0.028 3.988 3.960 -0.001 0.000 0.214 381 G HA3 0.028 3.988 3.960 -0.001 0.000 0.214 381 G C 0.266 175.242 174.900 0.128 0.000 1.132 381 G CA 0.389 45.519 45.100 0.050 0.000 0.782 381 G HN 0.738 nan 8.290 nan 0.000 0.538 382 S N -0.935 114.886 115.700 0.202 0.000 2.614 382 S HA 0.568 5.038 4.470 -0.001 0.000 0.275 382 S C -1.175 173.541 174.600 0.193 0.000 1.161 382 S CA -0.894 57.447 58.200 0.236 0.000 0.969 382 S CB 2.169 65.470 63.200 0.168 0.000 1.059 382 S HN 0.010 nan 8.310 nan 0.000 0.482 383 I N 2.968 123.663 120.570 0.208 0.000 2.365 383 I HA 0.533 4.702 4.170 -0.001 0.000 0.291 383 I C -0.298 175.807 176.117 -0.020 0.000 1.004 383 I CA 0.045 61.395 61.300 0.084 0.000 1.311 383 I CB 0.841 38.895 38.000 0.090 0.000 1.401 383 I HN 0.915 nan 8.210 nan 0.000 0.491 384 N N 4.515 123.197 118.700 -0.030 0.000 2.509 384 N HA 0.548 5.288 4.740 -0.001 0.000 0.280 384 N C -1.525 173.976 175.510 -0.015 0.000 1.306 384 N CA -0.821 52.201 53.050 -0.047 0.000 0.782 384 N CB 1.429 39.909 38.487 -0.011 0.000 1.493 384 N HN 0.390 nan 8.380 nan 0.000 0.498 385 L N 1.710 122.939 121.223 0.009 0.000 2.433 385 L HA 0.177 4.517 4.340 -0.001 0.000 0.275 385 L C 0.414 177.312 176.870 0.046 0.000 1.128 385 L CA -0.070 54.810 54.840 0.065 0.000 0.875 385 L CB 0.095 42.194 42.059 0.067 0.000 1.171 385 L HN 0.588 nan 8.230 nan 0.000 0.463 386 S N 3.372 119.109 115.700 0.062 0.000 2.584 386 S HA 0.121 4.590 4.470 -0.001 0.000 0.270 386 S C 1.278 175.854 174.600 -0.040 0.000 1.346 386 S CA -0.763 57.432 58.200 -0.009 0.000 1.018 386 S CB 0.880 64.067 63.200 -0.023 0.000 0.899 386 S HN 0.551 nan 8.310 nan 0.000 0.542 387 M N 1.948 121.452 119.600 -0.160 0.000 2.279 387 M HA -0.035 4.444 4.480 -0.001 0.000 0.264 387 M C 2.201 178.466 176.300 -0.060 0.000 1.062 387 M CA 1.539 56.711 55.300 -0.212 0.000 1.099 387 M CB -2.084 30.200 32.600 -0.527 0.000 1.394 387 M HN 0.998 nan 8.290 nan 0.000 0.426 388 G N -0.588 108.152 108.800 -0.100 0.000 2.403 388 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.216 388 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.216 388 G C 1.500 176.559 174.900 0.265 0.000 1.154 388 G CA 1.236 46.356 45.100 0.032 0.000 0.784 388 G HN 0.423 nan 8.290 nan 0.000 0.538 389 T N 0.767 115.488 114.554 0.279 0.000 2.857 389 T HA -0.004 4.345 4.350 -0.001 0.000 0.266 389 T C 2.287 177.145 174.700 0.264 0.000 1.048 389 T CA 1.131 63.471 62.100 0.400 0.000 1.139 389 T CB -0.073 69.037 68.868 0.404 0.000 0.874 389 T HN 0.272 nan 8.240 nan 0.000 0.455 390 K N 0.713 121.200 120.400 0.145 0.000 2.097 390 K HA -0.012 4.307 4.320 -0.001 0.000 0.206 390 K C 2.270 178.915 176.600 0.074 0.000 1.049 390 K CA 0.816 57.140 56.287 0.062 0.000 0.933 390 K CB -0.294 32.227 32.500 0.035 0.000 0.717 390 K HN 0.158 nan 8.250 nan 0.000 0.442 391 V N 1.207 121.185 119.914 0.108 0.000 2.379 391 V HA -0.197 3.923 4.120 -0.001 0.000 0.245 391 V C 2.043 178.168 176.094 0.052 0.000 1.044 391 V CA 1.266 63.601 62.300 0.058 0.000 1.036 391 V CB -0.309 31.530 31.823 0.026 0.000 0.664 391 V HN 0.178 nan 8.190 nan 0.000 0.453 392 L N -0.729 120.577 121.223 0.138 0.000 2.131 392 L HA -0.125 4.214 4.340 -0.001 0.000 0.210 392 L C 2.151 179.154 176.870 0.221 0.000 1.092 392 L CA 1.760 56.725 54.840 0.208 0.000 0.759 392 L CB -0.647 41.619 42.059 0.345 0.000 0.903 392 L HN 0.246 nan 8.230 nan 0.000 0.435 393 L N -0.799 120.507 121.223 0.139 0.000 2.044 393 L HA -0.141 4.199 4.340 -0.001 0.000 0.205 393 L C 2.668 179.726 176.870 0.314 0.000 1.075 393 L CA 1.193 56.081 54.840 0.080 0.000 0.747 393 L CB -0.492 41.431 42.059 -0.228 0.000 0.903 393 L HN 0.317 nan 8.230 nan 0.000 0.435 394 R N 0.435 121.096 120.500 0.268 0.000 2.193 394 R HA 0.038 4.378 4.340 -0.001 0.000 0.213 394 R C 1.921 178.323 176.300 0.170 0.000 1.055 394 R CA 1.008 57.281 56.100 0.288 0.000 0.995 394 R CB -0.346 30.078 30.300 0.207 0.000 0.893 394 R HN 0.213 nan 8.270 nan 0.000 0.459 395 A N 1.171 124.068 122.820 0.129 0.000 2.132 395 A HA 0.075 4.394 4.320 -0.001 0.000 0.213 395 A C 1.924 179.715 177.584 0.344 0.000 1.154 395 A CA 0.144 52.239 52.037 0.096 0.000 0.753 395 A CB -0.049 18.842 19.000 -0.181 0.000 0.826 395 A HN 0.257 nan 8.150 nan 0.000 0.469 396 L N -0.253 121.193 121.223 0.372 0.000 2.217 396 L HA -0.026 4.313 4.340 -0.001 0.000 0.211 396 L C 2.126 179.119 176.870 0.205 0.000 1.107 396 L CA 1.376 56.400 54.840 0.308 0.000 0.783 396 L CB -0.088 42.002 42.059 0.051 0.000 0.919 396 L HN 0.186 nan 8.230 nan 0.000 0.442 397 V N -1.330 118.694 119.914 0.183 0.000 2.788 397 V HA -0.141 3.978 4.120 -0.001 0.000 0.251 397 V C 2.215 178.426 176.094 0.196 0.000 1.068 397 V CA 0.850 63.245 62.300 0.158 0.000 1.090 397 V CB -0.362 31.473 31.823 0.020 0.000 0.710 397 V HN 0.340 nan 8.190 nan 0.000 0.467 398 L N 0.235 121.566 121.223 0.179 0.000 2.201 398 L HA -0.083 4.256 4.340 -0.001 0.000 0.212 398 L C 2.300 179.260 176.870 0.150 0.000 1.105 398 L CA 1.801 56.735 54.840 0.158 0.000 0.775 398 L CB -0.496 41.639 42.059 0.127 0.000 0.913 398 L HN 0.336 nan 8.230 nan 0.000 0.440 399 E N -0.910 119.389 120.200 0.166 0.000 2.152 399 E HA -0.113 4.236 4.350 -0.001 0.000 0.192 399 E C 2.110 178.731 176.600 0.034 0.000 0.983 399 E CA 0.893 57.358 56.400 0.108 0.000 0.818 399 E CB -0.083 29.675 29.700 0.097 0.000 0.758 399 E HN 0.615 nan 8.360 nan 0.000 0.467 400 A N 0.970 123.799 122.820 0.015 0.000 1.968 400 A HA -0.077 4.243 4.320 -0.001 0.000 0.217 400 A C 0.799 178.145 177.584 -0.397 0.000 1.169 400 A CA 0.799 52.735 52.037 -0.167 0.000 0.638 400 A CB -0.035 18.875 19.000 -0.149 0.000 0.812 400 A HN 0.197 nan 8.150 nan 0.000 0.446 401 H N 0.087 119.176 119.070 0.033 0.000 2.791 401 H HA 0.271 4.826 4.556 -0.001 0.000 0.272 401 H C -2.831 172.515 175.328 0.030 0.000 1.188 401 H CA -1.926 54.136 56.048 0.023 0.000 1.436 401 H CB 0.550 30.318 29.762 0.010 0.000 1.467 401 H HN 0.304 nan 8.280 nan 0.000 0.500 402 P HA 0.039 nan 4.420 nan 0.000 0.271 402 P C -0.100 177.243 177.300 0.070 0.000 1.216 402 P CA 0.133 63.276 63.100 0.072 0.000 0.776 402 P CB 1.619 33.346 31.700 0.045 0.000 0.881 403 D N 2.932 123.367 120.400 0.058 0.000 2.855 403 D HA 0.239 4.879 4.640 -0.001 0.000 0.241 403 D C -1.977 174.342 176.300 0.033 0.000 1.277 403 D CA -1.861 52.166 54.000 0.045 0.000 0.918 403 D CB 2.079 42.906 40.800 0.044 0.000 1.462 403 D HN 0.016 nan 8.370 nan 0.000 0.559 404 P HA 0.026 nan 4.420 nan 0.000 0.222 404 P C 0.903 178.212 177.300 0.015 0.000 1.153 404 P CA 0.734 63.846 63.100 0.020 0.000 0.798 404 P CB 0.701 32.412 31.700 0.018 0.000 0.796 405 K N -0.685 119.724 120.400 0.016 0.000 2.155 405 K HA 0.002 4.322 4.320 -0.001 0.000 0.203 405 K C 1.065 177.669 176.600 0.008 0.000 1.052 405 K CA 0.822 57.116 56.287 0.012 0.000 0.948 405 K CB -0.116 32.392 32.500 0.013 0.000 0.728 405 K HN 0.100 nan 8.250 nan 0.000 0.448 406 R N 0.274 120.781 120.500 0.011 0.000 2.532 406 R HA 0.321 4.660 4.340 -0.001 0.000 0.272 406 R C -0.717 175.584 176.300 0.001 0.000 1.032 406 R CA -0.656 55.447 56.100 0.005 0.000 1.089 406 R CB 1.417 31.724 30.300 0.011 0.000 1.098 406 R HN -0.079 nan 8.270 nan 0.000 0.526 407 V N 0.100 120.006 119.914 -0.014 0.000 2.435 407 V HA 0.397 4.517 4.120 -0.001 0.000 0.290 407 V C -0.352 175.722 176.094 -0.033 0.000 1.030 407 V CA -1.122 61.167 62.300 -0.020 0.000 0.881 407 V CB 1.579 33.384 31.823 -0.031 0.000 0.983 407 V HN 0.605 nan 8.190 nan 0.000 0.445 408 N N 3.011 121.702 118.700 -0.016 0.000 2.444 408 N HA 0.284 5.024 4.740 -0.001 0.000 0.271 408 N C 0.866 176.322 175.510 -0.089 0.000 1.069 408 N CA 0.057 53.092 53.050 -0.026 0.000 0.965 408 N CB 1.826 40.353 38.487 0.067 0.000 1.092 408 N HN 0.767 nan 8.380 nan 0.000 0.476 409 V N 1.739 121.508 119.914 -0.243 0.000 2.809 409 V HA -0.020 4.099 4.120 -0.001 0.000 0.256 409 V C 1.421 177.364 176.094 -0.252 0.000 1.080 409 V CA 1.172 63.295 62.300 -0.296 0.000 1.102 409 V CB -1.080 30.502 31.823 -0.401 0.000 0.705 409 V HN 0.440 nan 8.190 nan 0.000 0.475 410 F N 2.210 122.161 119.950 0.000 0.000 2.163 410 F HA 0.438 4.965 4.527 -0.001 0.000 0.297 410 F C 2.328 178.130 175.800 0.003 0.000 1.094 410 F CA 0.991 58.995 58.000 0.005 0.000 1.290 410 F CB -1.303 37.708 39.000 0.018 0.000 1.017 410 F HN 0.446 nan 8.300 nan 0.000 0.483 411 G N 0.514 109.416 108.800 0.170 0.000 2.675 411 G HA2 -0.414 3.546 3.960 -0.001 0.000 0.312 411 G HA3 -0.414 3.546 3.960 -0.001 0.000 0.312 411 G C 1.254 176.209 174.900 0.092 0.000 1.186 411 G CA 0.665 45.821 45.100 0.093 0.000 0.965 411 G HN 0.338 nan 8.290 nan 0.000 0.548 412 E N 1.197 121.439 120.200 0.070 0.000 2.047 412 E HA 0.038 4.387 4.350 -0.001 0.000 0.191 412 E C 1.472 178.105 176.600 0.055 0.000 0.987 412 E CA 0.892 57.322 56.400 0.052 0.000 0.799 412 E CB -0.019 29.704 29.700 0.037 0.000 0.752 412 E HN 0.538 nan 8.360 nan 0.000 0.449 413 R N 1.564 122.106 120.500 0.070 0.000 2.441 413 R HA 0.205 4.545 4.340 -0.001 0.000 0.284 413 R C 0.233 176.552 176.300 0.031 0.000 1.070 413 R CA -0.285 55.845 56.100 0.050 0.000 1.047 413 R CB 1.148 31.482 30.300 0.056 0.000 1.016 413 R HN 0.073 nan 8.270 nan 0.000 0.477 414 S N 0.750 116.439 115.700 -0.018 0.000 2.655 414 S HA 0.099 4.568 4.470 -0.001 0.000 0.265 414 S C 0.914 175.397 174.600 -0.195 0.000 1.240 414 S CA -0.721 57.434 58.200 -0.076 0.000 0.986 414 S CB 1.495 64.669 63.200 -0.043 0.000 0.985 414 S HN 0.507 nan 8.310 nan 0.000 0.562 415 S N 0.669 116.203 115.700 -0.277 0.000 2.356 415 S HA -0.140 4.329 4.470 -0.001 0.000 0.223 415 S C 2.030 176.567 174.600 -0.105 0.000 1.032 415 S CA 1.415 59.402 58.200 -0.356 0.000 1.005 415 S CB -0.584 62.463 63.200 -0.255 0.000 0.867 415 S HN 0.745 nan 8.310 nan 0.000 0.449 416 Q N 0.477 120.263 119.800 -0.023 0.000 2.224 416 Q HA -0.093 4.247 4.340 -0.001 0.000 0.203 416 Q C 2.226 178.271 176.000 0.074 0.000 0.970 416 Q CA 0.945 56.780 55.803 0.054 0.000 0.865 416 Q CB -0.071 28.691 28.738 0.040 0.000 0.922 416 Q HN 0.616 nan 8.270 nan 0.000 0.445 417 E N 0.785 120.999 120.200 0.024 0.000 2.046 417 E HA -0.146 4.204 4.350 -0.001 0.000 0.190 417 E C 1.864 178.514 176.600 0.083 0.000 0.982 417 E CA 0.628 57.051 56.400 0.038 0.000 0.800 417 E CB 0.093 29.797 29.700 0.006 0.000 0.756 417 E HN 0.314 nan 8.360 nan 0.000 0.449 418 I N 0.579 121.176 120.570 0.044 0.000 2.286 418 I HA -0.250 3.920 4.170 -0.001 0.000 0.245 418 I C 2.560 178.735 176.117 0.096 0.000 1.104 418 I CA 0.867 62.198 61.300 0.052 0.000 1.397 418 I CB -0.162 37.855 38.000 0.028 0.000 1.072 418 I HN 0.191 nan 8.210 nan 0.000 0.417 419 M N -0.533 119.165 119.600 0.163 0.000 2.279 419 M HA -0.212 4.267 4.480 -0.001 0.000 0.264 419 M C 2.358 178.897 176.300 0.400 0.000 1.062 419 M CA 1.395 56.918 55.300 0.372 0.000 1.099 419 M CB -0.617 32.257 32.600 0.456 0.000 1.394 419 M HN 0.345 nan 8.290 nan 0.000 0.426 420 H N -0.114 119.064 119.070 0.181 0.000 2.372 420 H HA -0.036 4.520 4.556 -0.001 0.000 0.301 420 H C 1.653 177.053 175.328 0.120 0.000 1.065 420 H CA 1.737 57.869 56.048 0.140 0.000 1.364 420 H CB 0.246 30.059 29.762 0.085 0.000 1.406 420 H HN 0.253 nan 8.280 nan 0.000 0.521 421 T N 0.635 115.324 114.554 0.225 0.000 2.821 421 T HA -0.040 4.310 4.350 -0.001 0.000 0.267 421 T C 2.199 176.936 174.700 0.061 0.000 1.046 421 T CA 1.045 63.225 62.100 0.133 0.000 1.139 421 T CB -0.386 68.537 68.868 0.092 0.000 0.871 421 T HN 0.415 nan 8.240 nan 0.000 0.454 422 A N 1.025 123.871 122.820 0.044 0.000 1.969 422 A HA 0.090 4.410 4.320 -0.001 0.000 0.218 422 A C 2.212 179.864 177.584 0.114 0.000 1.169 422 A CA 0.924 52.931 52.037 -0.049 0.000 0.635 422 A CB -0.688 18.110 19.000 -0.337 0.000 0.810 422 A HN 0.396 nan 8.150 nan 0.000 0.445 423 L N -0.427 120.952 121.223 0.261 0.000 2.093 423 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 423 L C 2.497 179.393 176.870 0.044 0.000 1.085 423 L CA 1.908 56.875 54.840 0.211 0.000 0.755 423 L CB -0.385 41.706 42.059 0.055 0.000 0.904 423 L HN 0.465 nan 8.230 nan 0.000 0.435 424 Q N -0.955 118.841 119.800 -0.006 0.000 2.123 424 Q HA -0.129 4.210 4.340 -0.001 0.000 0.199 424 Q C 1.774 177.780 176.000 0.010 0.000 0.966 424 Q CA 1.346 57.147 55.803 -0.003 0.000 0.845 424 Q CB -0.089 28.661 28.738 0.021 0.000 0.907 424 Q HN 0.542 nan 8.270 nan 0.000 0.439 425 N N 0.289 118.991 118.700 0.003 0.000 2.354 425 N HA -0.048 4.691 4.740 -0.001 0.000 0.179 425 N C 1.491 176.972 175.510 -0.048 0.000 1.021 425 N CA 1.059 54.095 53.050 -0.023 0.000 0.887 425 N CB -0.004 38.461 38.487 -0.037 0.000 0.974 425 N HN 0.188 nan 8.380 nan 0.000 0.437 426 A N 1.072 123.872 122.820 -0.035 0.000 1.929 426 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 426 A C 2.138 179.651 177.584 -0.119 0.000 1.176 426 A CA 0.943 52.937 52.037 -0.071 0.000 0.628 426 A CB -0.335 18.665 19.000 -0.000 0.000 0.816 426 A HN 0.254 nan 8.150 nan 0.000 0.444 427 Q N -0.722 119.053 119.800 -0.040 0.000 2.123 427 Q HA -0.003 4.336 4.340 -0.001 0.000 0.199 427 Q C 2.336 178.326 176.000 -0.017 0.000 0.966 427 Q CA 1.106 56.913 55.803 0.006 0.000 0.845 427 Q CB -0.289 28.528 28.738 0.132 0.000 0.907 427 Q HN 0.669 nan 8.270 nan 0.000 0.439 428 A N 1.026 123.835 122.820 -0.018 0.000 1.969 428 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 428 A C 1.995 179.541 177.584 -0.063 0.000 1.169 428 A CA 0.978 53.006 52.037 -0.015 0.000 0.635 428 A CB -0.308 18.689 19.000 -0.006 0.000 0.810 428 A HN 0.146 nan 8.150 nan 0.000 0.445 429 R N -0.536 119.894 120.500 -0.115 0.000 2.090 429 R HA 0.083 4.422 4.340 -0.001 0.000 0.228 429 R C 1.633 177.796 176.300 -0.229 0.000 1.110 429 R CA 1.016 57.028 56.100 -0.147 0.000 0.973 429 R CB -0.220 29.989 30.300 -0.151 0.000 0.869 429 R HN 0.532 nan 8.270 nan 0.000 0.440 430 L N -0.088 120.903 121.223 -0.386 0.000 2.341 430 L HA 0.020 4.360 4.340 -0.001 0.000 0.214 430 L C 2.131 178.707 176.870 -0.490 0.000 1.115 430 L CA 0.411 54.834 54.840 -0.695 0.000 0.820 430 L CB 0.080 41.300 42.059 -1.397 0.000 0.944 430 L HN 0.102 nan 8.230 nan 0.000 0.452 431 S N 0.129 115.749 115.700 -0.133 0.000 2.406 431 S HA -0.185 4.285 4.470 -0.001 0.000 0.228 431 S C 1.828 176.477 174.600 0.081 0.000 1.020 431 S CA 1.236 59.534 58.200 0.164 0.000 0.965 431 S CB -0.084 63.226 63.200 0.183 0.000 0.798 431 S HN 0.591 nan 8.310 nan 0.000 0.488 432 Q N 0.466 120.265 119.800 -0.003 0.000 2.424 432 Q HA 0.203 4.543 4.340 -0.001 0.000 0.204 432 Q C 1.717 177.702 176.000 -0.025 0.000 0.933 432 Q CA 0.583 56.383 55.803 -0.005 0.000 0.929 432 Q CB 0.003 28.730 28.738 -0.017 0.000 1.037 432 Q HN 0.555 nan 8.270 nan 0.000 0.511 433 E N 1.242 121.400 120.200 -0.070 0.000 2.079 433 E HA -0.029 4.320 4.350 -0.001 0.000 0.191 433 E C 1.146 177.720 176.600 -0.043 0.000 0.961 433 E CA 0.519 56.868 56.400 -0.085 0.000 0.823 433 E CB 0.449 30.052 29.700 -0.162 0.000 0.789 433 E HN 0.371 nan 8.360 nan 0.000 0.459 434 Q N -0.114 119.668 119.800 -0.030 0.000 2.135 434 Q HA 0.286 4.625 4.340 -0.001 0.000 0.222 434 Q C -0.360 175.806 176.000 0.275 0.000 0.808 434 Q CA 0.100 55.964 55.803 0.102 0.000 1.049 434 Q CB 2.011 30.809 28.738 0.100 0.000 1.168 434 Q HN 0.343 nan 8.270 nan 0.000 0.483 435 G N 0.674 109.613 108.800 0.232 0.000 2.707 435 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.686 435 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.686 435 G C 0.288 175.384 174.900 0.328 0.000 1.315 435 G CA -0.459 44.773 45.100 0.219 0.000 0.832 435 G HN 0.213 nan 8.290 nan 0.000 0.573 436 A N -0.287 122.632 122.820 0.165 0.000 2.066 436 A HA 0.263 4.583 4.320 -0.001 0.000 0.218 436 A C 1.454 179.008 177.584 -0.049 0.000 1.157 436 A CA 2.041 54.149 52.037 0.120 0.000 0.670 436 A CB -0.154 18.880 19.000 0.056 0.000 0.804 436 A HN 0.991 nan 8.150 nan 0.000 0.453 437 Q N -0.047 119.683 119.800 -0.118 0.000 2.286 437 Q HA 0.267 4.606 4.340 -0.001 0.000 0.267 437 Q C 0.827 176.381 176.000 -0.743 0.000 1.028 437 Q CA -0.185 55.441 55.803 -0.294 0.000 0.901 437 Q CB 0.589 29.221 28.738 -0.176 0.000 1.183 437 Q HN 0.605 nan 8.270 nan 0.000 0.392 438 M N 3.625 122.696 119.600 -0.881 0.000 2.236 438 M HA -0.086 4.393 4.480 -0.001 0.000 0.266 438 M C 1.481 177.268 176.300 -0.855 0.000 1.070 438 M CA 1.719 56.172 55.300 -1.413 0.000 1.137 438 M CB 0.027 32.104 32.600 -0.871 0.000 1.378 438 M HN 0.821 nan 8.290 nan 0.000 0.426 439 A N 0.286 122.830 122.820 -0.459 0.000 2.067 439 A HA -0.097 4.223 4.320 -0.001 0.000 0.219 439 A C 1.893 179.377 177.584 -0.166 0.000 1.158 439 A CA 1.081 52.973 52.037 -0.242 0.000 0.661 439 A CB -0.474 18.427 19.000 -0.165 0.000 0.801 439 A HN 0.445 nan 8.150 nan 0.000 0.452 440 R N -1.290 119.091 120.500 -0.199 0.000 2.310 440 R HA 0.002 4.342 4.340 -0.001 0.000 0.202 440 R C -0.594 175.765 176.300 0.098 0.000 0.933 440 R CA -0.296 55.773 56.100 -0.051 0.000 1.054 440 R CB -0.170 30.108 30.300 -0.037 0.000 0.985 440 R HN 0.566 nan 8.270 nan 0.000 0.489 441 W N 1.363 122.640 121.300 -0.039 0.000 2.251 441 W HA 0.203 4.863 4.660 -0.001 0.000 0.327 441 W C 0.751 177.238 176.519 -0.053 0.000 1.361 441 W CA -0.137 57.180 57.345 -0.047 0.000 1.234 441 W CB 0.301 29.726 29.460 -0.059 0.000 1.212 441 W HN -0.243 nan 8.180 nan 0.000 0.557 442 T N 4.473 119.126 114.554 0.165 0.000 2.942 442 T HA 0.615 4.965 4.350 -0.001 0.000 0.327 442 T C -0.801 173.913 174.700 0.023 0.000 1.360 442 T CA -0.864 61.278 62.100 0.070 0.000 1.055 442 T CB 0.713 69.617 68.868 0.059 0.000 1.261 442 T HN 0.369 nan 8.240 nan 0.000 0.485 443 M N 2.721 122.324 119.600 0.005 0.000 2.508 443 M HA 0.756 5.235 4.480 -0.001 0.000 0.327 443 M C -2.814 173.497 176.300 0.017 0.000 1.160 443 M CA -2.200 53.096 55.300 -0.008 0.000 0.980 443 M CB 1.651 34.231 32.600 -0.033 0.000 1.693 443 M HN 0.205 nan 8.290 nan 0.000 0.452 444 P HA 0.081 nan 4.420 nan 0.000 0.263 444 P C -0.673 176.654 177.300 0.045 0.000 1.195 444 P CA 0.302 63.420 63.100 0.029 0.000 0.762 444 P CB 0.360 32.072 31.700 0.020 0.000 0.799 445 T N 2.530 117.121 114.554 0.061 0.000 2.916 445 T HA 0.107 4.457 4.350 -0.001 0.000 0.303 445 T C 0.441 175.189 174.700 0.079 0.000 1.025 445 T CA -0.126 62.026 62.100 0.086 0.000 1.142 445 T CB -0.095 68.834 68.868 0.102 0.000 0.947 445 T HN 0.243 nan 8.240 nan 0.000 0.544 446 S N 2.232 117.987 115.700 0.092 0.000 2.533 446 S HA 0.203 4.672 4.470 -0.001 0.000 0.282 446 S C 0.263 174.906 174.600 0.072 0.000 1.304 446 S CA -0.808 57.428 58.200 0.059 0.000 1.063 446 S CB 0.359 63.584 63.200 0.041 0.000 0.881 446 S HN 0.491 nan 8.310 nan 0.000 0.493 447 V N 4.535 124.462 119.914 0.022 0.000 2.370 447 V HA 0.157 4.277 4.120 -0.001 0.000 0.279 447 V C 0.519 176.569 176.094 -0.073 0.000 1.029 447 V CA -0.667 61.626 62.300 -0.013 0.000 0.870 447 V CB 0.853 32.676 31.823 -0.001 0.000 0.984 447 V HN 0.824 nan 8.190 nan 0.000 0.451 448 H N 6.715 125.558 119.070 -0.379 0.000 2.878 448 H HA 0.363 4.919 4.556 -0.001 0.000 0.290 448 H C -0.138 174.845 175.328 -0.574 0.000 1.065 448 H CA 0.088 55.741 56.048 -0.659 0.000 1.477 448 H CB 0.436 29.369 29.762 -1.382 0.000 1.484 448 H HN 0.580 nan 8.280 nan 0.000 0.504 449 R N 4.339 124.496 120.500 -0.571 0.000 2.740 449 R HA 0.274 4.613 4.340 -0.001 0.000 0.282 449 R C -0.991 175.128 176.300 -0.301 0.000 0.969 449 R CA -0.799 55.169 56.100 -0.219 0.000 0.918 449 R CB 1.641 31.900 30.300 -0.068 0.000 1.175 449 R HN 0.393 nan 8.270 nan 0.000 0.464 450 F N 1.428 121.461 119.950 0.138 0.000 2.311 450 F HA 0.194 4.721 4.527 -0.001 0.000 0.371 450 F C 0.573 176.518 175.800 0.241 0.000 1.083 450 F CA -0.698 57.443 58.000 0.234 0.000 1.113 450 F CB 1.415 40.631 39.000 0.359 0.000 1.349 450 F HN 0.438 nan 8.300 nan 0.000 0.470 451 S N 0.330 116.238 115.700 0.347 0.000 2.564 451 S HA 0.050 4.520 4.470 -0.001 0.000 0.278 451 S C 1.059 175.884 174.600 0.374 0.000 1.333 451 S CA -0.639 57.758 58.200 0.328 0.000 1.048 451 S CB 0.956 64.345 63.200 0.315 0.000 0.900 451 S HN 0.686 nan 8.310 nan 0.000 0.505 452 D N 1.812 122.365 120.400 0.256 0.000 2.269 452 D HA -0.092 4.547 4.640 -0.001 0.000 0.208 452 D C -0.040 176.363 176.300 0.171 0.000 0.963 452 D CA 0.759 54.885 54.000 0.209 0.000 0.864 452 D CB -0.077 40.804 40.800 0.136 0.000 0.936 452 D HN 0.564 nan 8.370 nan 0.000 0.505 453 K N 1.315 121.814 120.400 0.165 0.000 2.156 453 K HA 0.194 4.514 4.320 -0.001 0.000 0.271 453 K C 0.337 176.954 176.600 0.028 0.000 0.995 453 K CA -0.839 55.498 56.287 0.083 0.000 0.890 453 K CB 1.163 33.705 32.500 0.070 0.000 1.073 453 K HN 0.066 nan 8.250 nan 0.000 0.454 454 N N 1.862 120.460 118.700 -0.171 0.000 2.290 454 N HA -0.055 4.684 4.740 -0.001 0.000 0.269 454 N C 0.830 176.090 175.510 -0.417 0.000 1.295 454 N CA -0.133 52.578 53.050 -0.566 0.000 0.932 454 N CB -0.155 38.111 38.487 -0.368 0.000 1.128 454 N HN 0.594 nan 8.380 nan 0.000 0.532 455 F N -3.585 116.125 119.950 -0.400 0.000 2.234 455 F HA 0.047 4.575 4.527 0.001 0.000 0.299 455 F C 2.033 177.880 175.800 0.080 0.000 1.087 455 F CA 1.037 59.049 58.000 0.020 0.000 1.340 455 F CB -0.941 38.171 39.000 0.187 0.000 1.031 455 F HN 0.442 nan 8.300 nan 0.000 0.500 456 T N -0.446 113.670 114.554 -0.731 0.000 3.100 456 T HA 0.330 4.680 4.350 -0.001 0.000 0.253 456 T C 1.264 175.849 174.700 -0.191 0.000 1.118 456 T CA 0.796 62.610 62.100 -0.476 0.000 1.058 456 T CB -0.977 67.474 68.868 -0.695 0.000 0.953 456 T HN 0.870 nan 8.240 nan 0.000 0.515 457 G N 1.377 110.088 108.800 -0.148 0.000 2.356 457 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.233 457 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.233 457 G C -0.094 174.769 174.900 -0.062 0.000 1.105 457 G CA -0.053 45.012 45.100 -0.058 0.000 0.861 457 G HN 0.593 nan 8.290 nan 0.000 0.493 458 T N 1.691 116.195 114.554 -0.084 0.000 3.011 458 T HA 0.572 4.921 4.350 -0.001 0.000 0.303 458 T C -2.760 171.921 174.700 -0.033 0.000 0.997 458 T CA -1.014 61.053 62.100 -0.056 0.000 1.007 458 T CB 3.237 72.062 68.868 -0.073 0.000 1.017 458 T HN 0.149 nan 8.240 nan 0.000 0.443 459 P HA 0.131 nan 4.420 nan 0.000 0.265 459 P C 0.260 177.573 177.300 0.022 0.000 1.222 459 P CA 0.153 63.265 63.100 0.020 0.000 0.767 459 P CB 0.875 32.589 31.700 0.023 0.000 0.801 460 Q N 1.384 121.207 119.800 0.038 0.000 2.245 460 Q HA 0.007 4.347 4.340 -0.001 0.000 0.201 460 Q C 0.842 176.880 176.000 0.063 0.000 0.955 460 Q CA 1.089 56.919 55.803 0.045 0.000 0.870 460 Q CB 0.143 28.913 28.738 0.054 0.000 0.945 460 Q HN 0.620 nan 8.270 nan 0.000 0.461 461 T N -2.500 112.100 114.554 0.075 0.000 2.716 461 T HA 0.492 4.841 4.350 -0.001 0.000 0.286 461 T C -0.020 174.710 174.700 0.050 0.000 1.052 461 T CA -1.117 61.027 62.100 0.074 0.000 1.024 461 T CB 0.826 69.765 68.868 0.118 0.000 1.349 461 T HN 0.104 nan 8.240 nan 0.000 0.525 462 M N -0.035 119.586 119.600 0.034 0.000 2.249 462 M HA 0.370 4.850 4.480 -0.001 0.000 0.340 462 M C -2.600 173.714 176.300 0.022 0.000 1.166 462 M CA -1.480 53.831 55.300 0.017 0.000 1.115 462 M CB -0.924 31.674 32.600 -0.002 0.000 1.606 462 M HN 0.180 nan 8.290 nan 0.000 0.448 463 P HA 0.156 nan 4.420 nan 0.000 0.267 463 P C 0.839 178.146 177.300 0.012 0.000 1.205 463 P CA 1.088 64.201 63.100 0.022 0.000 0.765 463 P CB 0.745 32.456 31.700 0.018 0.000 0.828 464 G N 3.119 111.929 108.800 0.016 0.000 2.284 464 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.216 464 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.216 464 G C 0.598 175.482 174.900 -0.026 0.000 1.009 464 G CA -0.302 44.798 45.100 -0.001 0.000 0.625 464 G HN 0.606 nan 8.290 nan 0.000 0.501 465 N N 2.407 121.093 118.700 -0.024 0.000 2.605 465 N HA 0.428 5.168 4.740 -0.001 0.000 0.282 465 N C 0.207 175.680 175.510 -0.063 0.000 1.206 465 N CA 1.168 54.177 53.050 -0.068 0.000 1.074 465 N CB -0.216 38.263 38.487 -0.013 0.000 1.434 465 N HN 0.742 nan 8.380 nan 0.000 0.506 466 T N -0.897 113.570 114.554 -0.145 0.000 2.900 466 T HA 0.569 4.919 4.350 -0.001 0.000 0.295 466 T C -0.463 174.118 174.700 -0.198 0.000 1.044 466 T CA -0.774 61.302 62.100 -0.039 0.000 0.995 466 T CB 0.682 69.601 68.868 0.086 0.000 1.072 466 T HN 0.030 nan 8.240 nan 0.000 0.473 467 F N 0.933 121.037 119.950 0.257 0.000 2.469 467 F HA 0.783 5.309 4.527 -0.001 0.000 0.332 467 F C 0.464 176.514 175.800 0.418 0.000 1.103 467 F CA -0.633 57.525 58.000 0.262 0.000 0.979 467 F CB 2.044 41.095 39.000 0.086 0.000 1.137 467 F HN 1.041 nan 8.300 nan 0.000 0.463 468 A N 3.738 126.871 122.820 0.522 0.000 2.488 468 A HA 0.826 5.146 4.320 -0.001 0.000 0.298 468 A C -1.713 176.123 177.584 0.421 0.000 1.044 468 A CA -0.584 51.685 52.037 0.386 0.000 0.693 468 A CB 0.944 20.066 19.000 0.204 0.000 1.272 468 A HN 0.727 nan 8.150 nan 0.000 0.402 469 F N -0.110 119.993 119.950 0.255 0.000 2.588 469 F HA 0.785 5.312 4.527 -0.001 0.000 0.310 469 F C -0.040 175.854 175.800 0.157 0.000 1.082 469 F CA -0.682 57.428 58.000 0.182 0.000 0.929 469 F CB 1.407 40.505 39.000 0.163 0.000 1.254 469 F HN 0.502 nan 8.300 nan 0.000 0.455 470 T N 1.733 116.434 114.554 0.245 0.000 2.930 470 T HA 0.478 4.828 4.350 -0.001 0.000 0.306 470 T C 0.280 175.105 174.700 0.209 0.000 1.045 470 T CA 1.007 63.201 62.100 0.157 0.000 1.134 470 T CB -0.208 68.752 68.868 0.154 0.000 0.961 470 T HN 2.114 nan 8.240 nan 0.000 0.545 471 G N 3.451 112.346 108.800 0.158 0.000 2.860 471 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.547 471 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.547 471 G C -0.757 174.222 174.900 0.132 0.000 1.103 471 G CA -0.477 44.775 45.100 0.253 0.000 1.126 471 G HN 0.994 nan 8.290 nan 0.000 0.490 472 Y N 2.338 122.631 120.300 -0.012 0.000 2.465 472 Y HA 0.478 5.027 4.550 -0.001 0.000 0.331 472 Y C 0.816 176.602 175.900 -0.189 0.000 1.102 472 Y CA 0.373 58.417 58.100 -0.094 0.000 1.358 472 Y CB 0.741 39.157 38.460 -0.075 0.000 1.213 472 Y HN 0.592 nan 8.280 nan 0.000 0.525 473 Q N 4.783 124.140 119.800 -0.738 0.000 2.307 473 Q HA 0.166 4.505 4.340 -0.001 0.000 0.262 473 Q C -0.569 175.083 176.000 -0.580 0.000 0.961 473 Q CA -0.849 54.531 55.803 -0.706 0.000 0.882 473 Q CB 1.082 29.413 28.738 -0.679 0.000 1.264 473 Q HN 0.585 nan 8.270 nan 0.000 0.446 474 N N 2.915 121.490 118.700 -0.208 0.000 3.243 474 N HA 0.037 4.776 4.740 -0.001 0.000 0.310 474 N C -0.797 174.861 175.510 0.247 0.000 1.313 474 N CA 0.236 53.374 53.050 0.147 0.000 1.204 474 N CB 0.109 38.777 38.487 0.302 0.000 1.483 474 N HN 0.428 nan 8.380 nan 0.000 0.553 475 R N -1.245 119.400 120.500 0.241 0.000 2.867 475 R HA 0.641 4.981 4.340 -0.001 0.000 0.227 475 R C 0.737 177.216 176.300 0.299 0.000 1.372 475 R CA -0.955 55.282 56.100 0.229 0.000 1.083 475 R CB 0.268 30.666 30.300 0.162 0.000 1.596 475 R HN 0.198 nan 8.270 nan 0.000 0.522 476 G N -0.884 107.997 108.800 0.135 0.000 2.528 476 G HA2 0.158 4.117 3.960 -0.001 0.000 0.289 476 G HA3 0.158 4.117 3.960 -0.001 0.000 0.289 476 G C 0.367 175.266 174.900 -0.001 0.000 1.192 476 G CA -0.495 44.565 45.100 -0.065 0.000 0.921 476 G HN 0.469 nan 8.290 nan 0.000 0.512 477 T N -0.464 113.884 114.554 -0.343 0.000 2.915 477 T HA 0.026 4.376 4.350 -0.001 0.000 0.269 477 T C 0.664 175.344 174.700 -0.033 0.000 1.071 477 T CA 1.179 63.075 62.100 -0.339 0.000 1.132 477 T CB 0.051 68.711 68.868 -0.346 0.000 0.878 477 T HN 0.473 nan 8.240 nan 0.000 0.479 478 E N 1.426 121.617 120.200 -0.014 0.000 2.290 478 E HA 0.267 4.617 4.350 -0.001 0.000 0.274 478 E C -1.764 174.824 176.600 -0.021 0.000 0.889 478 E CA -0.448 55.963 56.400 0.019 0.000 0.760 478 E CB 1.353 31.077 29.700 0.039 0.000 1.206 478 E HN 0.255 nan 8.360 nan 0.000 0.419 479 N N 3.818 122.563 118.700 0.075 0.000 2.476 479 N HA 0.253 4.993 4.740 -0.001 0.000 0.257 479 N C -0.755 174.778 175.510 0.038 0.000 0.970 479 N CA -0.680 52.396 53.050 0.044 0.000 0.938 479 N CB 0.849 39.413 38.487 0.127 0.000 1.144 479 N HN 0.428 nan 8.380 nan 0.000 0.500 480 N N 2.031 120.680 118.700 -0.084 0.000 2.370 480 N HA 0.388 5.127 4.740 -0.001 0.000 0.303 480 N C -1.006 174.377 175.510 -0.212 0.000 1.103 480 N CA -0.638 52.289 53.050 -0.205 0.000 0.848 480 N CB 2.314 40.712 38.487 -0.148 0.000 1.235 480 N HN 0.438 nan 8.380 nan 0.000 0.496 481 R N 1.349 121.615 120.500 -0.389 0.000 2.514 481 R HA 0.403 4.743 4.340 -0.001 0.000 0.296 481 R C -1.893 174.157 176.300 -0.417 0.000 1.012 481 R CA -0.584 55.328 56.100 -0.313 0.000 0.897 481 R CB 1.287 31.419 30.300 -0.281 0.000 1.184 481 R HN 0.430 nan 8.270 nan 0.000 0.440 482 V N 5.257 125.000 119.914 -0.284 0.000 2.334 482 V HA 0.361 4.481 4.120 -0.001 0.000 0.281 482 V C -0.256 175.635 176.094 -0.337 0.000 1.016 482 V CA -0.773 61.346 62.300 -0.301 0.000 0.832 482 V CB 1.523 33.218 31.823 -0.214 0.000 0.999 482 V HN 0.451 nan 8.190 nan 0.000 0.439 483 V N 5.398 125.084 119.914 -0.381 0.000 2.398 483 V HA 0.465 4.584 4.120 -0.001 0.000 0.286 483 V C -0.533 175.347 176.094 -0.358 0.000 1.026 483 V CA -0.365 61.775 62.300 -0.267 0.000 0.868 483 V CB 1.465 33.181 31.823 -0.179 0.000 0.982 483 V HN 0.698 nan 8.190 nan 0.000 0.443 484 F N 3.834 123.762 119.950 -0.037 0.000 2.359 484 F HA 0.349 4.875 4.527 -0.001 0.000 0.355 484 F C 0.836 176.619 175.800 -0.027 0.000 1.132 484 F CA -1.223 56.757 58.000 -0.033 0.000 1.246 484 F CB 0.031 39.008 39.000 -0.038 0.000 1.569 484 F HN 0.645 nan 8.300 nan 0.000 0.561 485 D N 0.618 121.072 120.400 0.090 0.000 2.325 485 D HA 0.262 4.902 4.640 -0.001 0.000 0.262 485 D C 1.353 177.693 176.300 0.067 0.000 1.263 485 D CA -0.259 53.776 54.000 0.058 0.000 1.020 485 D CB 0.431 41.239 40.800 0.013 0.000 1.117 485 D HN 0.265 nan 8.370 nan 0.000 0.545 486 A N -1.248 121.596 122.820 0.041 0.000 2.206 486 A HA -0.108 4.212 4.320 -0.001 0.000 0.211 486 A C 1.873 179.475 177.584 0.031 0.000 1.158 486 A CA 0.701 52.758 52.037 0.034 0.000 0.761 486 A CB -0.660 18.355 19.000 0.024 0.000 0.801 486 A HN 0.414 nan 8.150 nan 0.000 0.473 487 K N 0.177 120.595 120.400 0.031 0.000 2.007 487 K HA -0.030 4.290 4.320 -0.001 0.000 0.206 487 K C 0.635 177.259 176.600 0.040 0.000 1.047 487 K CA 1.577 57.880 56.287 0.026 0.000 0.937 487 K CB -0.241 32.267 32.500 0.013 0.000 0.718 487 K HN 0.399 nan 8.250 nan 0.000 0.438 488 G N 1.088 109.928 108.800 0.066 0.000 3.743 488 G HA2 0.340 4.300 3.960 -0.001 0.000 0.289 488 G HA3 0.340 4.300 3.960 -0.001 0.000 0.289 488 G C -2.029 172.943 174.900 0.120 0.000 2.097 488 G CA -0.391 44.756 45.100 0.079 0.000 0.624 488 G HN 0.102 nan 8.290 nan 0.000 0.402 489 V N 1.056 120.983 119.914 0.022 0.000 2.612 489 V HA 0.792 4.912 4.120 -0.001 0.000 0.301 489 V C -1.525 174.486 176.094 -0.137 0.000 1.059 489 V CA -0.656 61.586 62.300 -0.097 0.000 0.886 489 V CB 1.830 33.658 31.823 0.009 0.000 1.007 489 V HN 0.474 nan 8.190 nan 0.000 0.426 490 E N 6.113 126.173 120.200 -0.234 0.000 2.316 490 E HA 0.284 4.633 4.350 -0.001 0.000 0.254 490 E C -2.127 174.368 176.600 -0.176 0.000 0.902 490 E CA -0.449 55.850 56.400 -0.168 0.000 0.801 490 E CB 1.692 31.292 29.700 -0.167 0.000 1.270 490 E HN 0.628 nan 8.360 nan 0.000 0.414 491 F N 3.874 123.678 119.950 -0.245 0.000 2.408 491 F HA 0.462 4.988 4.527 -0.001 0.000 0.344 491 F C -0.797 174.882 175.800 -0.202 0.000 1.112 491 F CA -0.517 57.342 58.000 -0.235 0.000 1.096 491 F CB 0.927 39.805 39.000 -0.204 0.000 1.129 491 F HN 0.422 nan 8.300 nan 0.000 0.486 492 c N 7.819 125.868 118.600 -0.920 0.000 2.516 492 c HA 0.543 5.113 4.570 -0.001 0.000 0.338 492 c C -1.513 172.097 174.090 -0.801 0.000 1.132 492 c CA -0.486 55.435 56.329 -0.679 0.000 1.310 492 c CB 0.116 42.296 42.510 -0.551 0.000 1.898 492 c HN 0.901 nan 8.230 nan 0.000 0.452 493 D N 3.832 123.927 120.400 -0.508 0.000 2.523 493 D HA 0.752 5.391 4.640 -0.001 0.000 0.236 493 D C -0.986 175.270 176.300 -0.073 0.000 1.094 493 D CA -0.450 53.381 54.000 -0.282 0.000 0.942 493 D CB 2.136 42.855 40.800 -0.136 0.000 1.447 493 D HN 0.844 nan 8.370 nan 0.000 0.479 494 A N 1.084 123.926 122.820 0.037 0.000 2.442 494 A HA 0.578 4.897 4.320 -0.001 0.000 0.284 494 A C -0.740 176.910 177.584 0.109 0.000 1.058 494 A CA -0.902 51.201 52.037 0.111 0.000 0.738 494 A CB 0.692 19.832 19.000 0.234 0.000 1.242 494 A HN 0.631 nan 8.150 nan 0.000 0.421 495 M N 2.721 122.339 119.600 0.031 0.000 2.090 495 M HA 0.544 5.023 4.480 -0.001 0.000 0.277 495 M C -3.073 173.167 176.300 -0.101 0.000 0.935 495 M CA -1.798 53.485 55.300 -0.029 0.000 0.966 495 M CB 2.293 34.899 32.600 0.011 0.000 1.635 495 M HN 0.279 nan 8.290 nan 0.000 0.446 496 P HA 0.329 nan 4.420 nan 0.000 0.278 496 P C -2.419 174.750 177.300 -0.218 0.000 1.238 496 P CA -1.094 61.847 63.100 -0.265 0.000 0.794 496 P CB 0.671 32.162 31.700 -0.348 0.000 0.955 497 P HA 0.179 nan 4.420 nan 0.000 0.252 497 P C 0.514 177.611 177.300 -0.338 0.000 1.218 497 P CA 0.665 63.444 63.100 -0.535 0.000 0.807 497 P CB 0.500 31.682 31.700 -0.862 0.000 1.072 498 G N -1.033 107.614 108.800 -0.255 0.000 2.320 498 G HA2 0.048 4.007 3.960 -0.001 0.000 0.296 498 G HA3 0.048 4.007 3.960 -0.001 0.000 0.296 498 G C -0.218 174.602 174.900 -0.134 0.000 1.306 498 G CA -0.307 44.699 45.100 -0.157 0.000 0.836 498 G HN -0.237 nan 8.290 nan 0.000 0.517 499 Q N -0.258 119.488 119.800 -0.091 0.000 1.969 499 Q HA 0.087 4.427 4.340 -0.001 0.000 0.198 499 Q C 1.631 177.616 176.000 -0.025 0.000 0.978 499 Q CA 1.227 56.955 55.803 -0.125 0.000 0.830 499 Q CB -0.347 28.270 28.738 -0.201 0.000 0.896 499 Q HN 0.481 nan 8.270 nan 0.000 0.431 500 S N -0.527 115.206 115.700 0.056 0.000 2.528 500 S HA 0.352 4.822 4.470 -0.001 0.000 0.277 500 S C 0.457 175.131 174.600 0.123 0.000 1.297 500 S CA -0.101 58.195 58.200 0.160 0.000 1.052 500 S CB 0.932 64.281 63.200 0.249 0.000 0.917 500 S HN 0.356 nan 8.310 nan 0.000 0.492 501 G N 4.328 113.235 108.800 0.177 0.000 3.820 501 G HA2 0.262 4.221 3.960 -0.001 0.000 0.293 501 G HA3 0.262 4.221 3.960 -0.001 0.000 0.293 501 G C -0.339 174.827 174.900 0.443 0.000 1.152 501 G CA -0.442 44.766 45.100 0.179 0.000 0.921 501 G HN 0.642 nan 8.290 nan 0.000 0.544 502 F N 1.998 122.152 119.950 0.340 0.000 2.396 502 F HA 0.578 5.104 4.527 -0.001 0.000 0.343 502 F C -0.058 175.856 175.800 0.191 0.000 1.104 502 F CA -0.034 58.103 58.000 0.229 0.000 1.161 502 F CB 1.675 40.773 39.000 0.162 0.000 1.146 502 F HN -0.083 nan 8.300 nan 0.000 0.522 503 T N 4.854 119.077 114.554 -0.552 0.000 2.937 503 T HA 0.152 4.501 4.350 -0.001 0.000 0.297 503 T C -1.145 173.178 174.700 -0.629 0.000 0.991 503 T CA -0.689 61.162 62.100 -0.415 0.000 0.990 503 T CB 1.209 69.928 68.868 -0.248 0.000 0.991 503 T HN 0.493 nan 8.240 nan 0.000 0.440 504 D N 0.820 121.040 120.400 -0.300 0.000 2.357 504 D HA 0.147 4.786 4.640 -0.001 0.000 0.242 504 D C 1.442 177.668 176.300 -0.124 0.000 1.153 504 D CA -0.508 53.409 54.000 -0.138 0.000 0.918 504 D CB 0.860 41.702 40.800 0.069 0.000 1.181 504 D HN 0.438 nan 8.370 nan 0.000 0.435 505 R N 1.645 122.108 120.500 -0.062 0.000 2.127 505 R HA -0.190 4.150 4.340 -0.001 0.000 0.238 505 R C 1.255 177.534 176.300 -0.034 0.000 1.134 505 R CA 1.748 57.821 56.100 -0.045 0.000 0.975 505 R CB -0.118 30.176 30.300 -0.010 0.000 0.865 505 R HN 0.520 nan 8.270 nan 0.000 0.447 506 N N -1.713 116.975 118.700 -0.020 0.000 2.171 506 N HA -0.035 4.705 4.740 -0.001 0.000 0.184 506 N C 1.150 176.641 175.510 -0.031 0.000 1.021 506 N CA 1.303 54.342 53.050 -0.017 0.000 0.854 506 N CB 0.219 38.704 38.487 -0.003 0.000 0.994 506 N HN 0.433 nan 8.380 nan 0.000 0.426 507 G N -0.664 108.107 108.800 -0.047 0.000 2.738 507 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.195 507 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.195 507 G C -0.006 174.850 174.900 -0.074 0.000 1.001 507 G CA 0.007 45.068 45.100 -0.064 0.000 0.759 507 G HN 0.253 nan 8.290 nan 0.000 0.494 508 V N 0.025 119.911 119.914 -0.046 0.000 2.811 508 V HA 0.740 4.859 4.120 -0.001 0.000 0.302 508 V C 0.530 176.596 176.094 -0.047 0.000 1.063 508 V CA -0.680 61.598 62.300 -0.037 0.000 1.088 508 V CB 0.892 32.715 31.823 -0.001 0.000 0.982 508 V HN 0.403 nan 8.190 nan 0.000 0.485 509 R N 2.222 122.678 120.500 -0.072 0.000 2.758 509 R HA 0.574 4.914 4.340 -0.001 0.000 0.265 509 R C 0.205 176.541 176.300 0.059 0.000 1.016 509 R CA -0.581 55.460 56.100 -0.100 0.000 1.040 509 R CB 1.669 31.722 30.300 -0.411 0.000 1.152 509 R HN 0.877 nan 8.270 nan 0.000 0.503 510 S N 1.315 117.135 115.700 0.201 0.000 2.568 510 S HA 0.057 4.526 4.470 -0.001 0.000 0.282 510 S C -1.298 173.380 174.600 0.130 0.000 1.338 510 S CA -1.308 57.031 58.200 0.232 0.000 1.045 510 S CB 0.532 63.947 63.200 0.359 0.000 0.873 510 S HN 0.428 nan 8.310 nan 0.000 0.516 511 P HA -0.086 nan 4.420 nan 0.000 0.222 511 P C 0.071 177.220 177.300 -0.252 0.000 1.147 511 P CA 1.212 64.209 63.100 -0.172 0.000 0.790 511 P CB -0.124 31.381 31.700 -0.325 0.000 0.780 512 H N -2.272 116.857 119.070 0.098 0.000 2.591 512 H HA 0.164 4.719 4.556 -0.001 0.000 0.302 512 H C 0.497 175.875 175.328 0.083 0.000 1.163 512 H CA -0.313 55.770 56.048 0.059 0.000 1.049 512 H CB -0.247 29.529 29.762 0.022 0.000 1.543 512 H HN 0.192 nan 8.280 nan 0.000 0.523 513 Y N 0.926 121.261 120.300 0.059 0.000 2.500 513 Y HA 0.088 4.637 4.550 -0.001 0.000 0.284 513 Y C 1.359 177.211 175.900 -0.080 0.000 1.118 513 Y CA 0.755 58.880 58.100 0.041 0.000 1.241 513 Y CB 1.104 39.620 38.460 0.095 0.000 1.171 513 Y HN 0.122 nan 8.280 nan 0.000 0.540 514 E N -0.437 119.820 120.200 0.095 0.000 2.630 514 E HA -0.010 4.340 4.350 -0.001 0.000 0.218 514 E C 0.824 177.370 176.600 -0.090 0.000 0.977 514 E CA 0.463 56.813 56.400 -0.083 0.000 1.038 514 E CB 0.301 30.000 29.700 -0.001 0.000 1.051 514 E HN 0.469 nan 8.360 nan 0.000 0.487 515 D N 0.974 121.352 120.400 -0.037 0.000 2.264 515 D HA -0.198 4.442 4.640 -0.001 0.000 0.208 515 D C 1.449 177.726 176.300 -0.039 0.000 0.966 515 D CA 1.002 54.990 54.000 -0.021 0.000 0.864 515 D CB 0.055 40.875 40.800 0.033 0.000 0.933 515 D HN 0.212 nan 8.370 nan 0.000 0.499 516 Q N -0.820 118.936 119.800 -0.074 0.000 2.281 516 Q HA 0.200 4.539 4.340 -0.001 0.000 0.215 516 Q C 1.837 177.781 176.000 -0.094 0.000 0.867 516 Q CA -0.314 55.449 55.803 -0.067 0.000 0.940 516 Q CB 0.540 29.239 28.738 -0.064 0.000 1.111 516 Q HN 0.148 nan 8.270 nan 0.000 0.513 517 L N 1.151 122.263 121.223 -0.185 0.000 2.027 517 L HA -0.130 4.210 4.340 -0.001 0.000 0.206 517 L C 2.099 178.869 176.870 -0.168 0.000 1.074 517 L CA 1.832 56.523 54.840 -0.248 0.000 0.745 517 L CB -0.012 41.784 42.059 -0.438 0.000 0.898 517 L HN -0.095 nan 8.230 nan 0.000 0.433 518 K N -0.960 119.354 120.400 -0.143 0.000 2.217 518 K HA -0.085 4.234 4.320 -0.001 0.000 0.202 518 K C 1.916 178.456 176.600 -0.100 0.000 1.051 518 K CA 1.031 57.239 56.287 -0.131 0.000 0.952 518 K CB -0.271 32.177 32.500 -0.087 0.000 0.736 518 K HN 0.277 nan 8.250 nan 0.000 0.453 519 L N -0.205 120.986 121.223 -0.054 0.000 2.156 519 L HA -0.059 4.281 4.340 -0.001 0.000 0.208 519 L C 1.892 178.762 176.870 -0.001 0.000 1.095 519 L CA 1.362 56.191 54.840 -0.018 0.000 0.770 519 L CB -0.431 41.629 42.059 0.001 0.000 0.914 519 L HN 0.284 nan 8.230 nan 0.000 0.439 520 Y N 0.032 120.248 120.300 -0.141 0.000 2.263 520 Y HA -0.188 4.362 4.550 -0.000 0.000 0.292 520 Y C 2.494 178.198 175.900 -0.327 0.000 1.130 520 Y CA 1.870 59.868 58.100 -0.169 0.000 1.179 520 Y CB -0.008 38.385 38.460 -0.112 0.000 0.998 520 Y HN 0.347 nan 8.280 nan 0.000 0.532 521 E N -0.116 119.857 120.200 -0.379 0.000 2.110 521 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 521 E C 0.812 177.186 176.600 -0.376 0.000 0.988 521 E CA 1.153 57.203 56.400 -0.583 0.000 0.804 521 E CB -0.097 29.211 29.700 -0.654 0.000 0.745 521 E HN 0.469 nan 8.360 nan 0.000 0.458 522 N N 0.012 118.598 118.700 -0.189 0.000 2.313 522 N HA 0.010 4.750 4.740 -0.001 0.000 0.207 522 N C -0.509 175.113 175.510 0.186 0.000 1.141 522 N CA 0.156 53.218 53.050 0.021 0.000 0.830 522 N CB 0.097 38.594 38.487 0.017 0.000 1.008 522 N HN 0.135 nan 8.380 nan 0.000 0.481 523 F N 0.103 119.991 119.950 -0.102 0.000 3.069 523 F HA -0.290 4.237 4.527 -0.000 0.000 0.285 523 F C 0.755 176.691 175.800 0.227 0.000 0.827 523 F CA 0.644 58.623 58.000 -0.035 0.000 1.108 523 F CB -1.794 37.164 39.000 -0.070 0.000 1.252 523 F HN 0.094 nan 8.300 nan 0.000 0.483 524 E N -1.010 119.338 120.200 0.247 0.000 2.385 524 E HA 0.526 4.875 4.350 -0.001 0.000 0.254 524 E C -0.283 176.427 176.600 0.184 0.000 1.228 524 E CA -0.238 56.285 56.400 0.206 0.000 0.956 524 E CB 1.665 31.412 29.700 0.078 0.000 1.116 524 E HN 0.242 nan 8.360 nan 0.000 0.507 525 c N 0.758 119.357 118.600 -0.003 0.000 2.880 525 c HA 0.373 4.942 4.570 -0.001 0.000 0.320 525 c C -1.481 172.523 174.090 -0.144 0.000 1.176 525 c CA -0.702 55.557 56.329 -0.116 0.000 1.390 525 c CB 0.668 42.905 42.510 -0.455 0.000 1.846 525 c HN 0.807 nan 8.230 nan 0.000 0.478 526 K N 2.827 123.156 120.400 -0.118 0.000 2.138 526 K HA 0.688 5.007 4.320 -0.001 0.000 0.263 526 K C -0.168 176.356 176.600 -0.128 0.000 0.965 526 K CA -0.014 56.213 56.287 -0.099 0.000 0.868 526 K CB 1.291 33.759 32.500 -0.053 0.000 1.083 526 K HN 0.747 nan 8.250 nan 0.000 0.443 527 T N 0.940 115.432 114.554 -0.103 0.000 2.869 527 T HA 0.303 4.652 4.350 -0.001 0.000 0.295 527 T C -0.005 174.675 174.700 -0.033 0.000 0.987 527 T CA -0.802 61.244 62.100 -0.090 0.000 1.109 527 T CB 0.612 69.430 68.868 -0.082 0.000 0.932 527 T HN 0.728 nan 8.240 nan 0.000 0.518 528 M N 2.673 122.286 119.600 0.022 0.000 2.311 528 M HA 0.307 4.787 4.480 -0.001 0.000 0.325 528 M C -1.126 175.202 176.300 0.047 0.000 1.061 528 M CA -0.799 54.546 55.300 0.075 0.000 0.957 528 M CB 1.427 34.169 32.600 0.236 0.000 1.646 528 M HN 0.626 nan 8.290 nan 0.000 0.434 529 D N 3.742 124.144 120.400 0.003 0.000 2.417 529 D HA 0.033 4.672 4.640 -0.001 0.000 0.250 529 D C 0.450 176.733 176.300 -0.029 0.000 1.166 529 D CA 0.124 54.111 54.000 -0.020 0.000 0.881 529 D CB 2.056 42.834 40.800 -0.037 0.000 1.164 529 D HN 0.471 nan 8.370 nan 0.000 0.467 530 V N 2.706 122.599 119.914 -0.035 0.000 2.743 530 V HA -0.030 4.089 4.120 -0.001 0.000 0.237 530 V C 0.932 176.988 176.094 -0.063 0.000 1.113 530 V CA 1.262 63.536 62.300 -0.043 0.000 1.141 530 V CB 0.538 32.340 31.823 -0.035 0.000 0.873 530 V HN 0.708 nan 8.190 nan 0.000 0.486 531 T N -2.481 112.037 114.554 -0.060 0.000 2.874 531 T HA 0.252 4.601 4.350 -0.001 0.000 0.281 531 T C 0.683 175.297 174.700 -0.144 0.000 0.994 531 T CA 0.332 62.395 62.100 -0.062 0.000 1.015 531 T CB 0.819 69.701 68.868 0.023 0.000 1.028 531 T HN 0.469 nan 8.240 nan 0.000 0.523 532 H N 0.106 119.136 119.070 -0.067 0.000 2.521 532 H HA 0.209 4.765 4.556 -0.001 0.000 0.286 532 H C 2.294 177.577 175.328 -0.075 0.000 1.034 532 H CA 1.320 57.301 56.048 -0.111 0.000 1.278 532 H CB -0.321 29.389 29.762 -0.086 0.000 1.386 532 H HN 0.774 nan 8.280 nan 0.000 0.567 533 A N 0.910 123.763 122.820 0.056 0.000 1.855 533 A HA -0.136 4.184 4.320 -0.001 0.000 0.213 533 A C 1.875 179.457 177.584 -0.002 0.000 1.195 533 A CA 1.510 53.563 52.037 0.026 0.000 0.610 533 A CB -0.133 18.882 19.000 0.025 0.000 0.837 533 A HN 0.578 nan 8.150 nan 0.000 0.444 534 D N -0.477 119.913 120.400 -0.016 0.000 2.348 534 D HA -0.029 4.611 4.640 -0.001 0.000 0.211 534 D C 1.543 177.822 176.300 -0.035 0.000 0.998 534 D CA 0.525 54.511 54.000 -0.023 0.000 0.873 534 D CB -0.172 40.615 40.800 -0.022 0.000 0.925 534 D HN 0.347 nan 8.370 nan 0.000 0.524 535 I N 1.316 121.852 120.570 -0.057 0.000 2.439 535 I HA -0.104 4.066 4.170 -0.001 0.000 0.251 535 I C 2.152 178.239 176.117 -0.050 0.000 1.139 535 I CA 0.880 62.137 61.300 -0.071 0.000 1.438 535 I CB -0.081 37.837 38.000 -0.138 0.000 1.085 535 I HN -0.201 nan 8.210 nan 0.000 0.427 536 R N -0.368 120.109 120.500 -0.038 0.000 2.193 536 R HA 0.063 4.403 4.340 -0.001 0.000 0.213 536 R C 2.203 178.494 176.300 -0.016 0.000 1.055 536 R CA 0.531 56.617 56.100 -0.023 0.000 0.995 536 R CB -0.120 30.172 30.300 -0.013 0.000 0.893 536 R HN 0.358 nan 8.270 nan 0.000 0.459 537 R N 0.168 120.658 120.500 -0.017 0.000 2.112 537 R HA 0.078 4.417 4.340 -0.001 0.000 0.216 537 R C 0.860 177.152 176.300 -0.014 0.000 1.080 537 R CA 0.646 56.739 56.100 -0.013 0.000 0.996 537 R CB 0.094 30.387 30.300 -0.012 0.000 0.902 537 R HN 0.128 nan 8.270 nan 0.000 0.449 538 N N 0.762 119.451 118.700 -0.018 0.000 2.295 538 N HA 0.114 4.853 4.740 -0.001 0.000 0.221 538 N C -0.568 174.932 175.510 -0.018 0.000 1.129 538 N CA 0.023 53.063 53.050 -0.017 0.000 0.836 538 N CB 0.908 39.382 38.487 -0.021 0.000 1.040 538 N HN 0.118 nan 8.380 nan 0.000 0.494 539 A N 0.286 123.095 122.820 -0.017 0.000 2.388 539 A HA 0.152 4.472 4.320 -0.001 0.000 0.257 539 A C 1.198 178.778 177.584 -0.007 0.000 1.095 539 A CA -0.230 51.798 52.037 -0.016 0.000 0.791 539 A CB 0.970 19.961 19.000 -0.016 0.000 1.029 539 A HN 0.258 nan 8.150 nan 0.000 0.489 540 Q N 0.758 120.555 119.800 -0.005 0.000 2.387 540 Q HA 0.116 4.456 4.340 -0.001 0.000 0.212 540 Q C 0.217 176.222 176.000 0.009 0.000 0.925 540 Q CA 1.094 56.903 55.803 0.010 0.000 0.901 540 Q CB 0.256 29.010 28.738 0.027 0.000 1.020 540 Q HN 0.931 nan 8.270 nan 0.000 0.545 541 S N -0.899 114.802 115.700 0.002 0.000 2.536 541 S HA 0.600 5.069 4.470 -0.001 0.000 0.271 541 S C -1.024 173.574 174.600 -0.003 0.000 1.134 541 S CA -0.797 57.404 58.200 0.002 0.000 0.897 541 S CB 1.990 65.194 63.200 0.007 0.000 1.094 541 S HN 0.062 nan 8.310 nan 0.000 0.473 542 S N 1.107 116.807 115.700 -0.001 0.000 2.532 542 S HA 0.810 5.280 4.470 -0.001 0.000 0.299 542 S C -1.195 173.406 174.600 0.001 0.000 1.105 542 S CA -0.347 57.853 58.200 0.000 0.000 1.018 542 S CB 1.335 64.536 63.200 0.001 0.000 1.021 542 S HN 0.857 nan 8.310 nan 0.000 0.483 543 T N 4.825 119.380 114.554 0.003 0.000 2.928 543 T HA 0.399 4.749 4.350 -0.001 0.000 0.296 543 T C -0.729 173.975 174.700 0.007 0.000 1.000 543 T CA -0.461 61.641 62.100 0.003 0.000 0.989 543 T CB 1.288 70.156 68.868 -0.000 0.000 1.005 543 T HN 0.691 nan 8.240 nan 0.000 0.442 544 M N 4.659 124.263 119.600 0.007 0.000 2.238 544 M HA 0.557 5.037 4.480 -0.001 0.000 0.350 544 M C -1.439 174.866 176.300 0.008 0.000 1.138 544 M CA -0.768 54.538 55.300 0.009 0.000 1.040 544 M CB 0.527 33.132 32.600 0.009 0.000 1.639 544 M HN 0.537 nan 8.290 nan 0.000 0.451 545 L N 4.769 125.998 121.223 0.010 0.000 2.334 545 L HA 0.621 4.961 4.340 -0.001 0.000 0.270 545 L C -1.284 175.591 176.870 0.009 0.000 1.018 545 L CA -1.117 53.728 54.840 0.008 0.000 0.811 545 L CB 1.571 43.634 42.059 0.008 0.000 1.271 545 L HN 0.595 nan 8.230 nan 0.000 0.443 546 L N 3.104 124.332 121.223 0.007 0.000 2.356 546 L HA 0.588 4.928 4.340 -0.001 0.000 0.277 546 L C -0.414 176.460 176.870 0.007 0.000 0.996 546 L CA -0.112 54.733 54.840 0.008 0.000 0.822 546 L CB 1.782 43.845 42.059 0.007 0.000 1.256 546 L HN 0.434 nan 8.230 nan 0.000 0.413 547 I N 0.988 121.563 120.570 0.008 0.000 2.646 547 I HA 0.788 4.957 4.170 -0.001 0.000 0.299 547 I C -0.984 175.138 176.117 0.007 0.000 1.036 547 I CA -0.795 60.510 61.300 0.007 0.000 1.074 547 I CB 2.123 40.128 38.000 0.008 0.000 1.258 547 I HN 0.611 nan 8.210 nan 0.000 0.430 548 Q N 3.742 123.546 119.800 0.006 0.000 3.484 548 Q HA 0.535 4.875 4.340 -0.001 0.000 0.255 548 Q C -2.775 173.228 176.000 0.005 0.000 0.909 548 Q CA -1.115 54.692 55.803 0.006 0.000 0.774 548 Q CB 0.088 28.830 28.738 0.005 0.000 1.431 548 Q HN 0.622 nan 8.270 nan 0.000 0.423 549 P HA 0.300 nan 4.420 nan 0.000 0.280 549 P C -0.861 176.443 177.300 0.005 0.000 1.272 549 P CA -0.590 62.513 63.100 0.005 0.000 0.819 549 P CB 0.985 32.689 31.700 0.006 0.000 1.122 550 Q N 0.752 120.555 119.800 0.005 0.000 2.372 550 Q HA 0.473 4.813 4.340 -0.001 0.000 0.259 550 Q C -2.192 173.811 176.000 0.005 0.000 0.993 550 Q CA -1.564 54.241 55.803 0.004 0.000 0.854 550 Q CB -0.007 28.733 28.738 0.003 0.000 1.231 550 Q HN 0.325 nan 8.270 nan 0.000 0.462 551 P HA 0.000 nan 4.420 nan 0.000 0.216 551 P CA 0.000 63.104 63.100 0.006 0.000 0.800 551 P CB 0.000 31.704 31.700 0.007 0.000 0.726