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 2ewf_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAKKVNWYVS CSPRSPEKIQ PELKVLANFE GSYWKGVKGY KAQEAFAKEL DATA SEQUENCE AALPQFLGXX XXXXXAFSTR DRVAPMKTYG FVFVDEEGYL RITEAGKMLA DATA SEQUENCE NNRRPKDVFL KQLVKWQYPS FQHKGKEYPE EEWSINPLVF VLSLLKKVGG DATA SEQUENCE LSKLDIAMFC LTATNNNQVD EIAEEIMQFR NEREKIKGQN KKLEFTENYF DATA SEQUENCE FKRFEKIYGN VXXXXXXXXX XSHKSKIETK MRNARDVADA TTRYFRYTGL DATA SEQUENCE FVARGNQLVL NPEKSDLIDE IISSSKVVKN YTRVEEFHEY YGNPSLPQFS DATA SEQUENCE FETKEQLLDL AHRIRDENTR LAEQLVEHFP NVKVEIQVLE DIYNSLNKKV DATA SEQUENCE DVETLKDVIY HAKELQLELK KKKLQADFND PRQLEEVIDL LEVYHEKKNV DATA SEQUENCE IEEKIKARFI ANKNTVFEWL TWNGFIILGN ALEYKNNFVI DEELQPVTHA DATA SEQUENCE AGNQPDMEII YEDFIVLGEV TTSKGATQFK MESEPVTRHY LNKKKELEKQ DATA SEQUENCE GVEKELYCLF IAPEINKNTF EEFMKYNIVQ NTRIIPLSLK QFNMLLMVQK DATA SEQUENCE KLIEKGRRLS SYDIKNLMVS LYRTTIECER KYTQIKAGLE ETLNNWVVDK DATA SEQUENCE EVRF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.273 176.300 -0.045 0.000 1.140 1 M CA 0.000 55.273 55.300 -0.045 0.000 0.988 1 M CB 0.000 32.563 32.600 -0.062 0.000 1.302 2 A N 2.274 125.070 122.820 -0.041 0.000 2.218 2 A HA 0.181 4.502 4.320 0.002 0.000 0.209 2 A C 0.362 177.900 177.584 -0.076 0.000 1.168 2 A CA 0.379 52.388 52.037 -0.046 0.000 0.804 2 A CB -0.374 18.606 19.000 -0.034 0.000 0.834 2 A HN 0.659 nan 8.150 nan 0.000 0.482 3 K N 1.644 122.000 120.400 -0.073 0.000 2.416 3 K HA 0.107 4.429 4.320 0.002 0.000 0.283 3 K C -0.744 175.798 176.600 -0.097 0.000 1.037 3 K CA -0.333 55.905 56.287 -0.080 0.000 0.995 3 K CB 0.558 33.039 32.500 -0.031 0.000 0.938 3 K HN -0.052 nan 8.250 nan 0.000 0.475 4 K N 2.643 122.940 120.400 -0.172 0.000 2.355 4 K HA 0.028 4.349 4.320 0.002 0.000 0.270 4 K C 0.856 177.533 176.600 0.129 0.000 1.003 4 K CA -0.162 56.072 56.287 -0.089 0.000 0.957 4 K CB 1.068 33.382 32.500 -0.309 0.000 0.939 4 K HN 0.660 nan 8.250 nan 0.000 0.482 5 V N -2.061 117.862 119.914 0.014 0.000 3.330 5 V HA 0.170 4.292 4.120 0.002 0.000 0.309 5 V C -0.009 175.990 176.094 -0.159 0.000 1.481 5 V CA -0.511 61.682 62.300 -0.178 0.000 1.068 5 V CB -0.509 31.029 31.823 -0.473 0.000 0.935 5 V HN 0.840 nan 8.190 nan 0.000 0.453 6 N N -0.088 118.683 118.700 0.117 0.000 2.416 6 N HA 0.329 5.070 4.740 0.002 0.000 0.276 6 N C -1.124 174.564 175.510 0.297 0.000 1.261 6 N CA -0.637 52.458 53.050 0.075 0.000 0.790 6 N CB 2.020 40.483 38.487 -0.039 0.000 1.554 6 N HN 0.414 nan 8.380 nan 0.000 0.481 7 W N 0.189 121.552 121.300 0.105 0.000 2.485 7 W HA 0.671 5.332 4.660 0.002 0.000 0.364 7 W C -1.288 175.323 176.519 0.154 0.000 1.171 7 W CA -0.959 56.277 57.345 -0.181 0.000 1.304 7 W CB -0.277 28.797 29.460 -0.644 0.000 1.335 7 W HN 0.609 nan 8.180 nan 0.000 0.643 8 Y N -2.287 118.348 120.300 0.558 0.000 2.638 8 Y HA 0.661 5.212 4.550 0.002 0.000 0.335 8 Y C -1.616 174.686 175.900 0.669 0.000 1.155 8 Y CA -1.890 56.467 58.100 0.427 0.000 1.046 8 Y CB 0.580 39.160 38.460 0.200 0.000 1.303 8 Y HN 0.220 nan 8.280 nan 0.000 0.460 9 V N 2.188 122.484 119.914 0.637 0.000 2.427 9 V HA 0.430 4.551 4.120 0.002 0.000 0.286 9 V C 0.343 176.616 176.094 0.297 0.000 1.034 9 V CA -0.567 61.943 62.300 0.350 0.000 0.893 9 V CB 1.501 33.366 31.823 0.069 0.000 0.982 9 V HN 0.927 nan 8.190 nan 0.000 0.452 10 S N 3.071 118.916 115.700 0.242 0.000 2.573 10 S HA 0.005 4.476 4.470 0.002 0.000 0.277 10 S C 0.735 175.459 174.600 0.206 0.000 1.346 10 S CA -0.291 58.079 58.200 0.283 0.000 1.034 10 S CB 0.395 63.769 63.200 0.291 0.000 0.879 10 S HN 0.864 nan 8.310 nan 0.000 0.528 11 C N 3.081 122.497 119.300 0.193 0.000 2.884 11 C HA 0.450 4.911 4.460 0.002 0.000 0.287 11 C C 0.414 175.517 174.990 0.189 0.000 1.310 11 C CA -0.532 58.590 59.018 0.174 0.000 1.725 11 C CB -1.503 26.305 27.740 0.114 0.000 2.060 11 C HN 0.761 nan 8.230 nan 0.000 0.618 12 S N 2.255 118.087 115.700 0.219 0.000 2.204 12 S HA 0.285 4.756 4.470 0.002 0.000 0.147 12 S C -2.702 172.044 174.600 0.244 0.000 1.711 12 S CA -0.406 57.922 58.200 0.213 0.000 1.274 12 S CB 0.759 64.061 63.200 0.170 0.000 1.257 12 S HN 0.418 nan 8.310 nan 0.000 0.404 13 P HA 0.398 nan 4.420 nan 0.000 0.285 13 P C 0.263 177.745 177.300 0.304 0.000 1.280 13 P CA -0.881 62.357 63.100 0.231 0.000 0.862 13 P CB 1.332 33.118 31.700 0.143 0.000 1.153 14 R N -0.089 120.552 120.500 0.235 0.000 2.276 14 R HA 0.105 4.447 4.340 0.002 0.000 0.203 14 R C 0.333 176.781 176.300 0.245 0.000 1.017 14 R CA 0.326 56.595 56.100 0.282 0.000 1.010 14 R CB -0.348 30.056 30.300 0.172 0.000 0.900 14 R HN 0.437 nan 8.270 nan 0.000 0.469 15 S N 0.332 116.065 115.700 0.054 0.000 2.473 15 S HA 0.386 4.857 4.470 0.002 0.000 0.307 15 S C -2.089 172.223 174.600 -0.480 0.000 1.094 15 S CA -1.750 56.335 58.200 -0.191 0.000 1.070 15 S CB 2.462 65.584 63.200 -0.131 0.000 1.019 15 S HN -0.105 nan 8.310 nan 0.000 0.480 16 P HA -0.117 nan 4.420 nan 0.000 0.222 16 P C 1.264 177.972 177.300 -0.987 0.000 1.153 16 P CA 0.956 63.223 63.100 -1.388 0.000 0.798 16 P CB 0.058 30.491 31.700 -2.112 0.000 0.796 17 E N 1.614 121.253 120.200 -0.936 0.000 2.409 17 E HA -0.166 4.186 4.350 0.002 0.000 0.198 17 E C 1.233 177.675 176.600 -0.263 0.000 1.024 17 E CA 0.988 57.053 56.400 -0.559 0.000 0.861 17 E CB -0.599 28.874 29.700 -0.379 0.000 0.788 17 E HN 0.273 nan 8.360 nan 0.000 0.521 18 K N 0.318 120.584 120.400 -0.224 0.000 2.487 18 K HA 0.207 4.528 4.320 0.002 0.000 0.192 18 K C 1.968 178.544 176.600 -0.041 0.000 1.027 18 K CA 0.093 56.310 56.287 -0.117 0.000 1.054 18 K CB 0.145 32.583 32.500 -0.102 0.000 0.824 18 K HN 0.165 nan 8.250 nan 0.000 0.510 19 I N 0.885 121.449 120.570 -0.010 0.000 2.286 19 I HA -0.252 3.919 4.170 0.002 0.000 0.245 19 I C 2.696 178.826 176.117 0.022 0.000 1.104 19 I CA 0.890 62.239 61.300 0.081 0.000 1.397 19 I CB -0.182 37.943 38.000 0.208 0.000 1.072 19 I HN 0.270 nan 8.210 nan 0.000 0.417 20 Q N 1.666 121.458 119.800 -0.013 0.000 2.045 20 Q HA -0.210 4.131 4.340 0.002 0.000 0.206 20 Q C -0.572 175.421 176.000 -0.012 0.000 0.991 20 Q CA 2.363 58.142 55.803 -0.040 0.000 0.851 20 Q CB -1.255 27.472 28.738 -0.019 0.000 0.911 20 Q HN 0.316 nan 8.270 nan 0.000 0.418 21 P HA -0.118 nan 4.420 nan 0.000 0.217 21 P C 0.807 178.159 177.300 0.086 0.000 1.150 21 P CA 1.351 64.468 63.100 0.029 0.000 0.832 21 P CB -0.261 31.442 31.700 0.004 0.000 0.787 22 E N -0.295 119.975 120.200 0.117 0.000 2.058 22 E HA -0.184 4.167 4.350 0.002 0.000 0.194 22 E C 2.029 178.759 176.600 0.216 0.000 0.997 22 E CA 0.867 57.398 56.400 0.218 0.000 0.801 22 E CB -0.762 29.081 29.700 0.239 0.000 0.746 22 E HN 0.121 nan 8.360 nan 0.000 0.450 23 L N 1.692 122.972 121.223 0.094 0.000 2.093 23 L HA -0.138 4.203 4.340 0.002 0.000 0.208 23 L C 2.172 179.056 176.870 0.024 0.000 1.085 23 L CA 1.803 56.652 54.840 0.015 0.000 0.755 23 L CB -0.275 41.715 42.059 -0.116 0.000 0.904 23 L HN -0.092 nan 8.230 nan 0.000 0.435 24 K N -1.206 119.216 120.400 0.036 0.000 2.097 24 K HA -0.117 4.204 4.320 0.002 0.000 0.206 24 K C 1.871 178.533 176.600 0.104 0.000 1.049 24 K CA 1.554 57.864 56.287 0.038 0.000 0.933 24 K CB -0.013 32.504 32.500 0.029 0.000 0.717 24 K HN 0.295 nan 8.250 nan 0.000 0.442 25 V N 1.328 121.358 119.914 0.192 0.000 2.307 25 V HA -0.228 3.894 4.120 0.002 0.000 0.245 25 V C 2.199 178.563 176.094 0.450 0.000 1.045 25 V CA 1.407 63.901 62.300 0.323 0.000 1.024 25 V CB -0.374 31.675 31.823 0.377 0.000 0.651 25 V HN 0.349 nan 8.190 nan 0.000 0.449 26 L N 1.010 122.459 121.223 0.377 0.000 2.131 26 L HA -0.069 4.272 4.340 0.002 0.000 0.210 26 L C 2.379 179.278 176.870 0.047 0.000 1.092 26 L CA 2.199 57.078 54.840 0.064 0.000 0.759 26 L CB -0.880 40.983 42.059 -0.327 0.000 0.903 26 L HN 0.240 nan 8.230 nan 0.000 0.435 27 A N -0.666 122.165 122.820 0.017 0.000 2.070 27 A HA -0.188 4.133 4.320 0.002 0.000 0.220 27 A C 1.928 179.488 177.584 -0.039 0.000 1.159 27 A CA 1.517 53.523 52.037 -0.051 0.000 0.656 27 A CB -0.752 18.213 19.000 -0.057 0.000 0.800 27 A HN 0.609 nan 8.150 nan 0.000 0.453 28 N N -0.771 117.929 118.700 0.000 0.000 2.443 28 N HA -0.082 4.659 4.740 0.002 0.000 0.184 28 N C 0.337 175.646 175.510 -0.335 0.000 1.037 28 N CA 1.018 53.967 53.050 -0.169 0.000 0.896 28 N CB -0.374 37.949 38.487 -0.274 0.000 0.959 28 N HN 0.571 nan 8.380 nan 0.000 0.442 29 F N 0.928 120.855 119.950 -0.037 0.000 2.641 29 F HA 0.190 4.719 4.527 0.002 0.000 0.302 29 F C 1.085 176.820 175.800 -0.108 0.000 1.098 29 F CA -0.560 57.431 58.000 -0.016 0.000 1.318 29 F CB 0.015 39.042 39.000 0.046 0.000 1.035 29 F HN -0.182 nan 8.300 nan 0.000 0.551 30 E N 1.000 121.170 120.200 -0.051 0.000 2.502 30 E HA 0.075 4.426 4.350 0.002 0.000 0.261 30 E C 1.332 177.904 176.600 -0.045 0.000 0.974 30 E CA 1.244 57.575 56.400 -0.114 0.000 0.936 30 E CB 0.585 30.202 29.700 -0.138 0.000 0.926 30 E HN 0.598 nan 8.360 nan 0.000 0.459 31 G N 3.357 112.138 108.800 -0.033 0.000 2.176 31 G HA2 -0.257 3.704 3.960 0.002 0.000 0.253 31 G HA3 -0.257 3.704 3.960 0.002 0.000 0.253 31 G C 0.301 175.337 174.900 0.228 0.000 0.979 31 G CA 0.387 45.494 45.100 0.013 0.000 0.641 31 G HN 0.542 nan 8.290 nan 0.000 0.530 32 S N -0.193 115.674 115.700 0.278 0.000 2.565 32 S HA 0.472 4.943 4.470 0.002 0.000 0.276 32 S C 0.025 174.913 174.600 0.480 0.000 1.326 32 S CA -0.482 57.972 58.200 0.424 0.000 1.045 32 S CB 0.789 64.297 63.200 0.513 0.000 0.918 32 S HN 0.397 nan 8.310 nan 0.000 0.505 33 Y N 2.457 122.924 120.300 0.278 0.000 2.526 33 Y HA 0.039 4.590 4.550 0.002 0.000 0.330 33 Y C 0.494 176.480 175.900 0.144 0.000 1.156 33 Y CA 0.640 58.713 58.100 -0.045 0.000 1.419 33 Y CB 0.331 38.692 38.460 -0.165 0.000 1.250 33 Y HN 0.755 nan 8.280 nan 0.000 0.540 34 W N 7.761 128.822 121.300 -0.398 0.000 1.948 34 W HA 0.239 4.900 4.660 0.002 0.000 0.300 34 W C -1.074 175.322 176.519 -0.205 0.000 0.890 34 W CA -0.289 56.946 57.345 -0.184 0.000 1.799 34 W CB 0.456 29.813 29.460 -0.171 0.000 1.073 34 W HN 0.463 nan 8.180 nan 0.000 0.499 35 K N 0.726 120.999 120.400 -0.211 0.000 2.371 35 K HA 0.540 4.862 4.320 0.002 0.000 0.251 35 K C 0.674 177.287 176.600 0.021 0.000 0.934 35 K CA 0.507 56.728 56.287 -0.111 0.000 0.798 35 K CB 1.754 34.115 32.500 -0.230 0.000 1.204 35 K HN 0.072 nan 8.250 nan 0.000 0.427 36 G N 0.956 109.735 108.800 -0.035 0.000 2.601 36 G HA2 -0.309 3.652 3.960 0.002 0.000 0.261 36 G HA3 -0.309 3.652 3.960 0.002 0.000 0.261 36 G C 0.709 175.367 174.900 -0.403 0.000 1.289 36 G CA 0.099 45.134 45.100 -0.109 0.000 0.920 36 G HN 0.990 nan 8.290 nan 0.000 0.571 37 V N -2.079 117.489 119.914 -0.577 0.000 2.667 37 V HA 0.093 4.215 4.120 0.002 0.000 0.252 37 V C 2.366 178.005 176.094 -0.759 0.000 1.065 37 V CA 2.716 64.295 62.300 -1.202 0.000 1.083 37 V CB -0.615 30.831 31.823 -0.629 0.000 0.692 37 V HN 0.691 nan 8.190 nan 0.000 0.468 38 K N 1.266 121.451 120.400 -0.358 0.000 2.362 38 K HA 0.091 4.412 4.320 0.002 0.000 0.200 38 K C 2.162 178.730 176.600 -0.053 0.000 1.046 38 K CA 1.068 57.212 56.287 -0.238 0.000 0.952 38 K CB -0.535 31.703 32.500 -0.438 0.000 0.753 38 K HN 0.630 nan 8.250 nan 0.000 0.466 39 G N 0.377 109.163 108.800 -0.023 0.000 2.471 39 G HA2 -0.220 3.741 3.960 0.002 0.000 0.219 39 G HA3 -0.220 3.741 3.960 0.002 0.000 0.219 39 G C 0.961 175.825 174.900 -0.060 0.000 1.125 39 G CA 0.416 45.502 45.100 -0.023 0.000 0.775 39 G HN 0.163 nan 8.290 nan 0.000 0.548 40 Y N 0.937 121.170 120.300 -0.112 0.000 2.114 40 Y HA -0.147 4.404 4.550 0.002 0.000 0.282 40 Y C 2.633 178.467 175.900 -0.110 0.000 1.165 40 Y CA 1.024 59.047 58.100 -0.129 0.000 1.148 40 Y CB -0.826 37.590 38.460 -0.073 0.000 0.972 40 Y HN 0.214 nan 8.280 nan 0.000 0.504 41 K N -0.045 120.433 120.400 0.129 0.000 1.991 41 K HA -0.193 4.128 4.320 0.002 0.000 0.212 41 K C 2.326 178.985 176.600 0.097 0.000 1.049 41 K CA 1.513 57.863 56.287 0.104 0.000 0.932 41 K CB -0.293 32.272 32.500 0.108 0.000 0.717 41 K HN 0.224 nan 8.250 nan 0.000 0.441 42 A N 1.019 123.905 122.820 0.110 0.000 1.898 42 A HA -0.194 4.127 4.320 0.002 0.000 0.216 42 A C 1.985 179.492 177.584 -0.128 0.000 1.181 42 A CA 1.465 53.610 52.037 0.181 0.000 0.620 42 A CB -0.474 18.763 19.000 0.396 0.000 0.819 42 A HN 0.494 nan 8.150 nan 0.000 0.442 43 Q N -1.059 118.473 119.800 -0.447 0.000 2.167 43 Q HA -0.145 4.197 4.340 0.002 0.000 0.202 43 Q C 1.874 177.753 176.000 -0.202 0.000 0.970 43 Q CA 1.159 56.575 55.803 -0.645 0.000 0.855 43 Q CB -0.094 28.145 28.738 -0.831 0.000 0.911 43 Q HN 0.515 nan 8.270 nan 0.000 0.438 44 E N 0.660 120.790 120.200 -0.118 0.000 2.158 44 E HA -0.029 4.322 4.350 0.002 0.000 0.191 44 E C 1.805 178.396 176.600 -0.015 0.000 0.982 44 E CA 0.868 57.231 56.400 -0.062 0.000 0.823 44 E CB -0.021 29.650 29.700 -0.049 0.000 0.766 44 E HN 0.317 nan 8.360 nan 0.000 0.468 45 A N 0.382 123.226 122.820 0.040 0.000 1.898 45 A HA -0.164 4.158 4.320 0.002 0.000 0.216 45 A C 2.124 179.774 177.584 0.110 0.000 1.181 45 A CA 1.270 53.401 52.037 0.157 0.000 0.620 45 A CB -0.836 18.383 19.000 0.366 0.000 0.819 45 A HN 0.360 nan 8.150 nan 0.000 0.442 46 F N 1.355 121.046 119.950 -0.433 0.000 2.095 46 F HA -0.090 4.439 4.527 0.002 0.000 0.298 46 F C 2.447 178.193 175.800 -0.090 0.000 1.104 46 F CA 1.257 58.926 58.000 -0.552 0.000 1.232 46 F CB -0.729 37.838 39.000 -0.722 0.000 0.987 46 F HN 0.238 nan 8.300 nan 0.000 0.475 47 A N 0.483 123.101 122.820 -0.336 0.000 1.948 47 A HA -0.258 4.063 4.320 0.002 0.000 0.220 47 A C 2.235 179.697 177.584 -0.204 0.000 1.177 47 A CA 2.199 54.036 52.037 -0.334 0.000 0.636 47 A CB -0.771 18.163 19.000 -0.110 0.000 0.815 47 A HN 0.555 nan 8.150 nan 0.000 0.449 48 K N -0.796 119.547 120.400 -0.095 0.000 2.062 48 K HA -0.115 4.206 4.320 0.002 0.000 0.205 48 K C 2.103 178.702 176.600 -0.002 0.000 1.051 48 K CA 1.338 57.606 56.287 -0.031 0.000 0.941 48 K CB -0.123 32.386 32.500 0.016 0.000 0.719 48 K HN 0.673 nan 8.250 nan 0.000 0.440 49 E N 0.916 121.137 120.200 0.035 0.000 2.153 49 E HA -0.186 4.165 4.350 0.002 0.000 0.194 49 E C 1.897 178.525 176.600 0.047 0.000 0.988 49 E CA 0.641 57.100 56.400 0.099 0.000 0.811 49 E CB 0.089 29.944 29.700 0.258 0.000 0.746 49 E HN 0.111 nan 8.360 nan 0.000 0.466 50 L N 0.151 121.307 121.223 -0.110 0.000 2.156 50 L HA 0.029 4.370 4.340 0.002 0.000 0.208 50 L C 2.081 179.045 176.870 0.156 0.000 1.095 50 L CA 1.610 56.419 54.840 -0.052 0.000 0.770 50 L CB -0.229 41.574 42.059 -0.426 0.000 0.914 50 L HN 0.134 nan 8.230 nan 0.000 0.439 51 A N -0.753 122.107 122.820 0.066 0.000 2.066 51 A HA 0.098 4.419 4.320 0.002 0.000 0.218 51 A C 2.254 179.928 177.584 0.150 0.000 1.157 51 A CA 1.036 53.133 52.037 0.099 0.000 0.670 51 A CB -0.764 18.214 19.000 -0.038 0.000 0.804 51 A HN 0.458 nan 8.150 nan 0.000 0.453 52 A N -0.642 122.249 122.820 0.119 0.000 2.235 52 A HA 0.366 4.687 4.320 0.002 0.000 0.208 52 A C 0.882 178.545 177.584 0.132 0.000 1.172 52 A CA -0.107 51.994 52.037 0.107 0.000 0.786 52 A CB -0.403 18.645 19.000 0.080 0.000 0.804 52 A HN 0.445 nan 8.150 nan 0.000 0.479 53 L N -0.224 121.120 121.223 0.201 0.000 2.439 53 L HA 0.109 4.450 4.340 0.002 0.000 0.269 53 L C -1.311 175.609 176.870 0.083 0.000 1.179 53 L CA -1.551 53.377 54.840 0.146 0.000 0.828 53 L CB 0.826 42.994 42.059 0.181 0.000 1.106 53 L HN 0.077 nan 8.230 nan 0.000 0.467 54 P HA -0.231 nan 4.420 nan 0.000 0.216 54 P C 1.148 178.419 177.300 -0.048 0.000 1.150 54 P CA 1.212 64.314 63.100 0.004 0.000 0.843 54 P CB 0.062 31.757 31.700 -0.008 0.000 0.787 55 Q N -2.089 117.598 119.800 -0.189 0.000 2.364 55 Q HA -0.073 4.268 4.340 0.002 0.000 0.207 55 Q C 0.751 176.564 176.000 -0.312 0.000 0.970 55 Q CA 1.165 56.778 55.803 -0.317 0.000 0.888 55 Q CB -0.669 27.747 28.738 -0.537 0.000 0.951 55 Q HN 0.211 nan 8.270 nan 0.000 0.469 56 F N 0.606 120.611 119.950 0.093 0.000 2.653 56 F HA 0.338 4.866 4.527 0.002 0.000 0.304 56 F C 0.131 175.958 175.800 0.046 0.000 1.092 56 F CA -0.529 57.533 58.000 0.103 0.000 1.279 56 F CB 0.640 39.741 39.000 0.169 0.000 1.044 56 F HN -0.070 nan 8.300 nan 0.000 0.564 57 L N 0.606 121.924 121.223 0.158 0.000 2.512 57 L HA 0.501 4.842 4.340 0.002 0.000 0.247 57 L C 0.852 177.766 176.870 0.074 0.000 1.204 57 L CA -0.445 54.456 54.840 0.101 0.000 1.153 57 L CB -0.320 41.785 42.059 0.077 0.000 1.415 57 L HN 0.081 nan 8.230 nan 0.000 0.406 67 F N 1.011 120.890 119.950 -0.117 0.000 2.294 67 F HA 0.876 5.404 4.527 0.002 0.000 0.319 67 F C 0.830 176.577 175.800 -0.087 0.000 1.107 67 F CA -1.045 56.902 58.000 -0.089 0.000 1.094 67 F CB -0.043 38.893 39.000 -0.107 0.000 1.508 67 F HN 0.643 nan 8.300 nan 0.000 0.506 68 S N -1.574 114.331 115.700 0.341 0.000 2.509 68 S HA 0.306 4.777 4.470 0.002 0.000 0.297 68 S C 0.558 175.263 174.600 0.175 0.000 1.118 68 S CA -0.189 58.133 58.200 0.203 0.000 1.074 68 S CB 1.242 64.503 63.200 0.102 0.000 1.038 68 S HN 0.689 nan 8.310 nan 0.000 0.498 69 T N 2.340 116.980 114.554 0.143 0.000 2.653 69 T HA -0.212 4.139 4.350 0.002 0.000 0.268 69 T C 1.881 176.677 174.700 0.159 0.000 1.035 69 T CA 2.150 64.340 62.100 0.149 0.000 1.154 69 T CB -0.515 68.452 68.868 0.166 0.000 0.862 69 T HN 0.781 nan 8.240 nan 0.000 0.441 70 R N 0.619 121.192 120.500 0.121 0.000 2.105 70 R HA -0.145 4.197 4.340 0.002 0.000 0.239 70 R C 1.795 178.164 176.300 0.115 0.000 1.135 70 R CA 1.991 58.167 56.100 0.127 0.000 0.967 70 R CB -0.249 30.108 30.300 0.095 0.000 0.861 70 R HN 0.327 nan 8.270 nan 0.000 0.442 71 D N -0.060 120.394 120.400 0.090 0.000 2.149 71 D HA -0.100 4.542 4.640 0.002 0.000 0.201 71 D C 1.913 178.243 176.300 0.050 0.000 0.972 71 D CA 0.812 54.860 54.000 0.080 0.000 0.835 71 D CB -0.006 40.845 40.800 0.085 0.000 0.966 71 D HN 0.197 nan 8.370 nan 0.000 0.476 72 R N 0.443 120.923 120.500 -0.033 0.000 2.093 72 R HA 0.033 4.374 4.340 0.002 0.000 0.224 72 R C 2.337 178.702 176.300 0.108 0.000 1.101 72 R CA 0.262 56.339 56.100 -0.039 0.000 0.979 72 R CB -1.026 29.122 30.300 -0.254 0.000 0.877 72 R HN 0.154 nan 8.270 nan 0.000 0.441 73 V N 1.563 121.565 119.914 0.148 0.000 2.667 73 V HA -0.099 4.022 4.120 0.002 0.000 0.252 73 V C 2.476 178.633 176.094 0.105 0.000 1.065 73 V CA 1.359 63.740 62.300 0.135 0.000 1.083 73 V CB -0.740 31.180 31.823 0.162 0.000 0.692 73 V HN 0.246 nan 8.190 nan 0.000 0.468 74 A N 1.263 124.147 122.820 0.106 0.000 1.883 74 A HA -0.131 4.190 4.320 0.002 0.000 0.217 74 A C 0.653 178.245 177.584 0.013 0.000 1.186 74 A CA 2.124 54.207 52.037 0.077 0.000 0.624 74 A CB -1.883 17.185 19.000 0.113 0.000 0.822 74 A HN 0.572 nan 8.150 nan 0.000 0.444 75 P HA -0.138 nan 4.420 nan 0.000 0.218 75 P C 1.564 178.857 177.300 -0.012 0.000 1.149 75 P CA 1.280 64.331 63.100 -0.082 0.000 0.817 75 P CB -0.274 31.573 31.700 0.246 0.000 0.785 76 M N -0.783 118.915 119.600 0.163 0.000 2.229 76 M HA -0.127 4.355 4.480 0.002 0.000 0.264 76 M C 2.042 178.398 176.300 0.094 0.000 1.063 76 M CA 1.797 57.255 55.300 0.264 0.000 1.114 76 M CB -0.561 32.160 32.600 0.201 0.000 1.387 76 M HN -0.071 nan 8.290 nan 0.000 0.420 77 K N -0.431 119.980 120.400 0.019 0.000 2.031 77 K HA -0.048 4.273 4.320 0.002 0.000 0.205 77 K C 1.951 178.546 176.600 -0.009 0.000 1.049 77 K CA 1.599 57.907 56.287 0.035 0.000 0.939 77 K CB -0.311 32.224 32.500 0.057 0.000 0.717 77 K HN 0.226 nan 8.250 nan 0.000 0.438 78 T N 0.535 114.964 114.554 -0.209 0.000 2.759 78 T HA -0.137 4.214 4.350 0.002 0.000 0.269 78 T C 0.995 175.481 174.700 -0.356 0.000 1.042 78 T CA 1.304 63.206 62.100 -0.330 0.000 1.140 78 T CB -0.202 68.293 68.868 -0.622 0.000 0.864 78 T HN 0.184 nan 8.240 nan 0.000 0.455 79 Y N 0.509 120.674 120.300 -0.225 0.000 2.470 79 Y HA 0.448 5.000 4.550 0.002 0.000 0.284 79 Y C 1.753 177.025 175.900 -1.047 0.000 1.188 79 Y CA -0.971 56.790 58.100 -0.565 0.000 1.269 79 Y CB -0.597 37.489 38.460 -0.623 0.000 1.094 79 Y HN 0.276 nan 8.280 nan 0.000 0.518 80 G N -0.788 107.671 108.800 -0.568 0.000 2.137 80 G HA2 -0.314 3.647 3.960 0.002 0.000 0.237 80 G HA3 -0.314 3.647 3.960 0.002 0.000 0.237 80 G C 0.488 175.094 174.900 -0.490 0.000 1.002 80 G CA 0.408 45.114 45.100 -0.657 0.000 0.702 80 G HN 0.333 nan 8.290 nan 0.000 0.515 81 F N -0.210 119.675 119.950 -0.110 0.000 2.387 81 F HA 0.436 4.965 4.527 0.002 0.000 0.294 81 F C 1.585 177.320 175.800 -0.108 0.000 1.093 81 F CA 0.516 58.443 58.000 -0.120 0.000 1.420 81 F CB 0.059 38.992 39.000 -0.112 0.000 1.086 81 F HN 0.576 nan 8.300 nan 0.000 0.531 82 V N -2.286 117.662 119.914 0.056 0.000 3.188 82 V HA 0.814 4.936 4.120 0.002 0.000 0.305 82 V C -1.081 174.966 176.094 -0.079 0.000 1.232 82 V CA -1.478 60.757 62.300 -0.108 0.000 1.043 82 V CB 2.334 34.024 31.823 -0.222 0.000 1.068 82 V HN 0.134 nan 8.190 nan 0.000 0.439 83 F N -0.227 119.519 119.950 -0.340 0.000 2.741 83 F HA 0.922 5.451 4.527 0.002 0.000 0.313 83 F C -1.532 174.102 175.800 -0.276 0.000 1.153 83 F CA -1.275 56.507 58.000 -0.363 0.000 0.931 83 F CB 1.350 39.893 39.000 -0.761 0.000 1.335 83 F HN 0.445 nan 8.300 nan 0.000 0.460 84 V N 2.360 122.299 119.914 0.042 0.000 2.417 84 V HA 0.339 4.460 4.120 0.002 0.000 0.291 84 V C -0.609 175.558 176.094 0.122 0.000 1.024 84 V CA -0.522 61.758 62.300 -0.034 0.000 0.861 84 V CB 1.098 32.948 31.823 0.046 0.000 0.985 84 V HN 0.871 nan 8.190 nan 0.000 0.436 85 D N 2.962 123.398 120.400 0.061 0.000 2.447 85 D HA 0.108 4.749 4.640 0.002 0.000 0.265 85 D C 0.762 177.119 176.300 0.095 0.000 1.250 85 D CA -0.471 53.637 54.000 0.179 0.000 1.046 85 D CB 0.810 41.721 40.800 0.185 0.000 1.095 85 D HN 0.515 nan 8.370 nan 0.000 0.555 86 E N -1.255 119.000 120.200 0.092 0.000 2.427 86 E HA -0.088 4.263 4.350 0.002 0.000 0.196 86 E C 0.768 177.408 176.600 0.066 0.000 1.028 86 E CA 0.573 57.016 56.400 0.073 0.000 0.864 86 E CB 0.070 29.809 29.700 0.065 0.000 0.813 86 E HN 0.436 nan 8.360 nan 0.000 0.514 87 E N -0.690 119.566 120.200 0.093 0.000 2.479 87 E HA 0.096 4.447 4.350 0.002 0.000 0.193 87 E C 0.944 177.499 176.600 -0.075 0.000 1.049 87 E CA 0.474 56.946 56.400 0.121 0.000 0.870 87 E CB 0.742 30.602 29.700 0.265 0.000 0.944 87 E HN 0.288 nan 8.360 nan 0.000 0.492 88 G N -0.189 108.483 108.800 -0.213 0.000 2.157 88 G HA2 -0.290 3.671 3.960 0.002 0.000 0.239 88 G HA3 -0.290 3.671 3.960 0.002 0.000 0.239 88 G C -0.392 174.012 174.900 -0.828 0.000 0.982 88 G CA -0.321 44.393 45.100 -0.644 0.000 0.650 88 G HN 0.243 nan 8.290 nan 0.000 0.527 89 Y N -0.666 119.484 120.300 -0.249 0.000 2.334 89 Y HA 0.639 5.190 4.550 0.002 0.000 0.328 89 Y C 0.688 176.457 175.900 -0.218 0.000 1.130 89 Y CA -1.132 56.865 58.100 -0.171 0.000 1.163 89 Y CB 1.352 39.760 38.460 -0.085 0.000 1.207 89 Y HN 0.189 nan 8.280 nan 0.000 0.471 90 L N 5.125 126.301 121.223 -0.079 0.000 2.455 90 L HA 0.259 4.600 4.340 0.002 0.000 0.272 90 L C -0.559 176.056 176.870 -0.425 0.000 1.174 90 L CA 0.083 54.687 54.840 -0.393 0.000 0.869 90 L CB -0.129 41.563 42.059 -0.612 0.000 1.130 90 L HN 0.528 nan 8.230 nan 0.000 0.474 91 R N 5.824 125.915 120.500 -0.681 0.000 2.807 91 R HA 0.590 4.931 4.340 0.002 0.000 0.276 91 R C -1.176 174.716 176.300 -0.681 0.000 0.979 91 R CA -0.875 54.776 56.100 -0.748 0.000 0.928 91 R CB 1.876 31.455 30.300 -1.201 0.000 1.191 91 R HN 0.484 nan 8.270 nan 0.000 0.471 92 I N 1.831 122.148 120.570 -0.421 0.000 2.378 92 I HA 0.195 4.366 4.170 0.002 0.000 0.291 92 I C 1.156 177.187 176.117 -0.144 0.000 0.992 92 I CA -0.614 60.533 61.300 -0.255 0.000 1.154 92 I CB 1.280 39.171 38.000 -0.182 0.000 1.315 92 I HN 0.622 nan 8.210 nan 0.000 0.448 93 T N 1.883 116.413 114.554 -0.041 0.000 2.754 93 T HA 0.233 4.584 4.350 0.002 0.000 0.286 93 T C 1.073 175.770 174.700 -0.006 0.000 0.997 93 T CA -0.390 61.735 62.100 0.041 0.000 0.982 93 T CB 1.481 70.397 68.868 0.081 0.000 1.027 93 T HN 0.488 nan 8.240 nan 0.000 0.529 94 E N 0.553 120.743 120.200 -0.016 0.000 2.110 94 E HA -0.093 4.258 4.350 0.002 0.000 0.193 94 E C 2.453 179.029 176.600 -0.039 0.000 0.988 94 E CA 1.489 57.865 56.400 -0.039 0.000 0.804 94 E CB -0.981 28.688 29.700 -0.051 0.000 0.745 94 E HN 0.816 nan 8.360 nan 0.000 0.458 95 A N 0.987 123.785 122.820 -0.036 0.000 1.908 95 A HA -0.103 4.218 4.320 0.002 0.000 0.218 95 A C 2.487 180.136 177.584 0.109 0.000 1.181 95 A CA 1.978 54.021 52.037 0.010 0.000 0.627 95 A CB -1.020 17.952 19.000 -0.048 0.000 0.818 95 A HN 0.343 nan 8.150 nan 0.000 0.445 96 G N -0.671 108.211 108.800 0.137 0.000 2.408 96 G HA2 -0.190 3.771 3.960 0.002 0.000 0.217 96 G HA3 -0.190 3.771 3.960 0.002 0.000 0.217 96 G C 1.677 176.535 174.900 -0.071 0.000 1.150 96 G CA 1.068 46.209 45.100 0.069 0.000 0.776 96 G HN 0.555 nan 8.290 nan 0.000 0.542 97 K N -0.528 119.838 120.400 -0.056 0.000 2.057 97 K HA 0.090 4.412 4.320 0.002 0.000 0.207 97 K C 2.613 179.165 176.600 -0.080 0.000 1.049 97 K CA 1.086 57.330 56.287 -0.072 0.000 0.931 97 K CB -0.208 32.254 32.500 -0.063 0.000 0.714 97 K HN 0.238 nan 8.250 nan 0.000 0.440 98 M N 0.175 119.728 119.600 -0.078 0.000 2.117 98 M HA -0.181 4.300 4.480 0.002 0.000 0.262 98 M C 2.148 178.384 176.300 -0.107 0.000 1.065 98 M CA 1.241 56.489 55.300 -0.087 0.000 1.114 98 M CB -0.155 32.395 32.600 -0.083 0.000 1.361 98 M HN 0.144 nan 8.290 nan 0.000 0.408 99 L N 0.373 121.507 121.223 -0.149 0.000 2.093 99 L HA -0.010 4.331 4.340 0.002 0.000 0.208 99 L C 2.446 179.221 176.870 -0.159 0.000 1.085 99 L CA 1.842 56.564 54.840 -0.197 0.000 0.755 99 L CB -0.827 40.964 42.059 -0.447 0.000 0.904 99 L HN 0.193 nan 8.230 nan 0.000 0.435 100 A N -0.381 122.348 122.820 -0.151 0.000 1.940 100 A HA -0.210 4.111 4.320 0.002 0.000 0.219 100 A C 1.869 179.414 177.584 -0.066 0.000 1.176 100 A CA 1.885 53.861 52.037 -0.101 0.000 0.631 100 A CB -0.724 18.224 19.000 -0.086 0.000 0.814 100 A HN 0.590 nan 8.150 nan 0.000 0.446 101 N N -0.037 118.623 118.700 -0.068 0.000 2.449 101 N HA -0.034 4.707 4.740 0.002 0.000 0.191 101 N C 0.125 175.606 175.510 -0.048 0.000 1.161 101 N CA 0.377 53.395 53.050 -0.052 0.000 0.863 101 N CB -0.761 37.693 38.487 -0.055 0.000 0.980 101 N HN 0.634 nan 8.380 nan 0.000 0.458 102 N N 0.586 119.256 118.700 -0.051 0.000 2.708 102 N HA -0.219 4.522 4.740 0.002 0.000 0.249 102 N C -1.080 174.392 175.510 -0.063 0.000 1.097 102 N CA 0.209 53.238 53.050 -0.035 0.000 0.710 102 N CB -0.380 38.102 38.487 -0.008 0.000 1.032 102 N HN 0.299 nan 8.380 nan 0.000 0.551 103 R N 0.990 121.429 120.500 -0.101 0.000 2.234 103 R HA 0.257 4.598 4.340 0.002 0.000 0.324 103 R C 0.412 176.542 176.300 -0.282 0.000 1.054 103 R CA -0.497 55.504 56.100 -0.164 0.000 0.912 103 R CB 0.547 30.765 30.300 -0.137 0.000 1.030 103 R HN 0.206 nan 8.270 nan 0.000 0.455 104 R N 1.523 121.685 120.500 -0.563 0.000 3.225 104 R HA -0.153 4.188 4.340 0.002 0.000 0.245 104 R C -1.658 174.358 176.300 -0.472 0.000 0.928 104 R CA -0.031 55.425 56.100 -1.074 0.000 0.632 104 R CB -1.070 28.771 30.300 -0.764 0.000 1.038 104 R HN 0.584 nan 8.270 nan 0.000 0.461 105 P HA -0.209 nan 4.420 nan 0.000 0.216 105 P C 0.709 178.202 177.300 0.321 0.000 1.150 105 P CA 1.309 64.496 63.100 0.145 0.000 0.837 105 P CB 0.082 31.935 31.700 0.254 0.000 0.786 106 K N -0.684 119.844 120.400 0.214 0.000 2.211 106 K HA -0.101 4.220 4.320 0.002 0.000 0.203 106 K C 1.668 178.400 176.600 0.220 0.000 1.050 106 K CA 1.208 57.514 56.287 0.032 0.000 0.945 106 K CB -0.338 32.040 32.500 -0.203 0.000 0.732 106 K HN 0.094 nan 8.250 nan 0.000 0.451 107 D N 0.361 120.912 120.400 0.252 0.000 2.137 107 D HA -0.085 4.557 4.640 0.002 0.000 0.202 107 D C 1.953 178.344 176.300 0.150 0.000 0.970 107 D CA 0.695 54.817 54.000 0.204 0.000 0.837 107 D CB -0.104 40.793 40.800 0.162 0.000 0.981 107 D HN -0.118 nan 8.370 nan 0.000 0.475 108 V N 0.646 120.628 119.914 0.114 0.000 2.295 108 V HA -0.241 3.880 4.120 0.002 0.000 0.246 108 V C 2.164 178.332 176.094 0.124 0.000 1.049 108 V CA 1.352 63.696 62.300 0.074 0.000 1.024 108 V CB -0.612 31.230 31.823 0.031 0.000 0.648 108 V HN 0.086 nan 8.190 nan 0.000 0.447 109 F N -0.467 119.610 119.950 0.213 0.000 2.134 109 F HA -0.182 4.346 4.527 0.002 0.000 0.299 109 F C 2.195 178.106 175.800 0.185 0.000 1.097 109 F CA 1.860 60.010 58.000 0.250 0.000 1.264 109 F CB -0.403 38.812 39.000 0.358 0.000 1.001 109 F HN 0.046 nan 8.300 nan 0.000 0.479 110 L N 0.147 121.577 121.223 0.346 0.000 1.989 110 L HA -0.265 4.076 4.340 0.002 0.000 0.211 110 L C 2.454 179.453 176.870 0.215 0.000 1.071 110 L CA 1.725 56.728 54.840 0.272 0.000 0.749 110 L CB -0.381 41.826 42.059 0.248 0.000 0.890 110 L HN -0.014 nan 8.230 nan 0.000 0.431 111 K N -0.786 119.701 120.400 0.145 0.000 2.097 111 K HA -0.141 4.180 4.320 0.002 0.000 0.205 111 K C 2.140 178.742 176.600 0.003 0.000 1.050 111 K CA 0.973 57.290 56.287 0.050 0.000 0.938 111 K CB -0.121 32.347 32.500 -0.052 0.000 0.718 111 K HN 0.426 nan 8.250 nan 0.000 0.442 112 Q N 0.769 120.546 119.800 -0.038 0.000 2.046 112 Q HA -0.039 4.302 4.340 0.002 0.000 0.200 112 Q C 2.252 178.316 176.000 0.107 0.000 0.975 112 Q CA 1.131 56.849 55.803 -0.141 0.000 0.836 112 Q CB -0.289 28.223 28.738 -0.377 0.000 0.896 112 Q HN 0.330 nan 8.270 nan 0.000 0.428 113 L N -0.086 121.246 121.223 0.182 0.000 2.291 113 L HA -0.070 4.272 4.340 0.002 0.000 0.214 113 L C 2.248 179.334 176.870 0.359 0.000 1.120 113 L CA 0.234 55.273 54.840 0.331 0.000 0.799 113 L CB -0.214 42.033 42.059 0.314 0.000 0.925 113 L HN 0.002 nan 8.230 nan 0.000 0.446 114 V N -0.077 119.991 119.914 0.256 0.000 2.453 114 V HA -0.221 3.900 4.120 0.002 0.000 0.247 114 V C 2.340 178.576 176.094 0.237 0.000 1.048 114 V CA 1.576 64.013 62.300 0.229 0.000 1.049 114 V CB -0.354 31.605 31.823 0.227 0.000 0.672 114 V HN 0.408 nan 8.190 nan 0.000 0.457 115 K N -1.396 119.151 120.400 0.246 0.000 2.228 115 K HA -0.110 4.212 4.320 0.002 0.000 0.202 115 K C 0.701 177.512 176.600 0.351 0.000 1.051 115 K CA -0.012 56.431 56.287 0.261 0.000 0.960 115 K CB -0.033 32.550 32.500 0.139 0.000 0.743 115 K HN 0.468 nan 8.250 nan 0.000 0.458 116 W N 4.206 125.646 121.300 0.233 0.000 2.435 116 W HA -0.126 4.535 4.660 0.002 0.000 0.337 116 W C -0.088 176.439 176.519 0.013 0.000 1.300 116 W CA 0.464 57.899 57.345 0.151 0.000 1.298 116 W CB -0.204 29.403 29.460 0.245 0.000 1.217 116 W HN 0.152 nan 8.180 nan 0.000 0.565 117 Q N 4.685 124.387 119.800 -0.164 0.000 2.553 117 Q HA 0.580 4.921 4.340 0.002 0.000 0.293 117 Q C -2.059 173.637 176.000 -0.508 0.000 1.038 117 Q CA -1.121 54.508 55.803 -0.290 0.000 0.777 117 Q CB 2.194 30.870 28.738 -0.104 0.000 1.487 117 Q HN 0.366 nan 8.270 nan 0.000 0.426 118 Y N -0.095 119.953 120.300 -0.419 0.000 2.361 118 Y HA 0.491 5.042 4.550 0.002 0.000 0.337 118 Y C -2.491 173.235 175.900 -0.290 0.000 0.965 118 Y CA -2.278 55.548 58.100 -0.457 0.000 1.091 118 Y CB 2.090 40.266 38.460 -0.473 0.000 1.182 118 Y HN 0.535 nan 8.280 nan 0.000 0.450 119 P HA 0.338 nan 4.420 nan 0.000 0.274 119 P C -0.547 176.142 177.300 -1.018 0.000 1.246 119 P CA -0.253 62.393 63.100 -0.757 0.000 0.795 119 P CB 1.193 32.293 31.700 -0.999 0.000 1.006 120 S N -0.473 114.606 115.700 -1.035 0.000 2.819 120 S HA 0.385 4.856 4.470 0.002 0.000 0.299 120 S C 0.513 174.575 174.600 -0.897 0.000 1.192 120 S CA -0.512 57.064 58.200 -1.039 0.000 0.847 120 S CB 0.147 62.909 63.200 -0.729 0.000 1.224 120 S HN 0.256 nan 8.310 nan 0.000 0.537 121 F N 1.569 120.836 119.950 -1.138 0.000 2.171 121 F HA -0.009 4.519 4.527 0.002 0.000 0.300 121 F C 2.522 178.097 175.800 -0.374 0.000 1.090 121 F CA 1.897 59.561 58.000 -0.559 0.000 1.293 121 F CB -0.228 38.610 39.000 -0.270 0.000 1.013 121 F HN 0.513 nan 8.300 nan 0.000 0.486 122 Q N -0.868 118.626 119.800 -0.511 0.000 2.245 122 Q HA -0.055 4.287 4.340 0.002 0.000 0.201 122 Q C -0.013 175.417 176.000 -0.951 0.000 0.955 122 Q CA 0.999 56.375 55.803 -0.712 0.000 0.870 122 Q CB -0.218 28.070 28.738 -0.749 0.000 0.945 122 Q HN 0.465 nan 8.270 nan 0.000 0.461 123 H N 0.771 119.427 119.070 -0.691 0.000 2.675 123 H HA 0.348 4.905 4.556 0.002 0.000 0.258 123 H C -0.179 174.629 175.328 -0.865 0.000 1.271 123 H CA -0.189 55.238 56.048 -1.034 0.000 1.462 123 H CB 0.335 29.099 29.762 -1.663 0.000 1.467 123 H HN 0.121 nan 8.280 nan 0.000 0.501 124 K N -0.148 120.084 120.400 -0.280 0.000 2.466 124 K HA 0.693 5.014 4.320 0.002 0.000 0.277 124 K C 0.167 176.809 176.600 0.070 0.000 1.039 124 K CA -0.743 55.469 56.287 -0.123 0.000 0.904 124 K CB 1.983 34.412 32.500 -0.118 0.000 1.506 124 K HN 0.453 nan 8.250 nan 0.000 0.441 125 G N 0.796 109.654 108.800 0.097 0.000 2.499 125 G HA2 -0.250 3.711 3.960 0.002 0.000 0.232 125 G HA3 -0.250 3.711 3.960 0.002 0.000 0.232 125 G C 0.276 175.222 174.900 0.076 0.000 1.251 125 G CA 0.105 45.251 45.100 0.077 0.000 0.917 125 G HN 0.522 nan 8.290 nan 0.000 0.580 126 K N 0.654 121.079 120.400 0.041 0.000 2.044 126 K HA -0.103 4.219 4.320 0.002 0.000 0.210 126 K C 2.323 178.916 176.600 -0.011 0.000 1.049 126 K CA 2.208 58.506 56.287 0.018 0.000 0.927 126 K CB -0.601 31.902 32.500 0.004 0.000 0.713 126 K HN 0.710 nan 8.250 nan 0.000 0.443 127 E N -0.710 119.458 120.200 -0.053 0.000 2.150 127 E HA -0.135 4.216 4.350 0.002 0.000 0.193 127 E C 0.038 176.350 176.600 -0.481 0.000 0.985 127 E CA 0.875 57.120 56.400 -0.258 0.000 0.814 127 E CB 0.080 29.602 29.700 -0.298 0.000 0.752 127 E HN 0.347 nan 8.360 nan 0.000 0.466 128 Y N 0.161 120.433 120.300 -0.047 0.000 2.495 128 Y HA 0.230 4.782 4.550 0.002 0.000 0.362 128 Y C -2.315 173.628 175.900 0.072 0.000 0.956 128 Y CA -2.478 55.534 58.100 -0.147 0.000 1.127 128 Y CB 0.805 38.994 38.460 -0.451 0.000 1.173 128 Y HN -0.036 nan 8.280 nan 0.000 0.639 129 P HA 0.024 nan 4.420 nan 0.000 0.268 129 P C 0.305 177.758 177.300 0.256 0.000 1.204 129 P CA 0.215 63.446 63.100 0.218 0.000 0.768 129 P CB 1.238 33.025 31.700 0.145 0.000 0.842 130 E N 1.930 122.244 120.200 0.189 0.000 2.333 130 E HA -0.190 4.161 4.350 0.002 0.000 0.198 130 E C 1.053 177.722 176.600 0.115 0.000 1.007 130 E CA 1.152 57.654 56.400 0.169 0.000 0.845 130 E CB -0.075 29.716 29.700 0.152 0.000 0.766 130 E HN 0.588 nan 8.360 nan 0.000 0.507 131 E N 0.923 121.175 120.200 0.087 0.000 2.204 131 E HA -0.181 4.170 4.350 0.002 0.000 0.194 131 E C 1.904 178.502 176.600 -0.003 0.000 0.989 131 E CA 1.169 57.590 56.400 0.036 0.000 0.824 131 E CB 0.078 29.792 29.700 0.023 0.000 0.756 131 E HN 0.349 nan 8.360 nan 0.000 0.477 132 E N -1.083 119.117 120.200 0.000 0.000 2.364 132 E HA 0.016 4.367 4.350 0.002 0.000 0.203 132 E C -0.348 176.114 176.600 -0.230 0.000 0.888 132 E CA -0.148 56.159 56.400 -0.155 0.000 0.989 132 E CB 0.309 29.875 29.700 -0.223 0.000 0.985 132 E HN 0.114 nan 8.360 nan 0.000 0.499 133 W N 0.935 122.231 121.300 -0.008 0.000 2.376 133 W HA 0.531 5.193 4.660 0.002 0.000 0.312 133 W C -0.544 175.962 176.519 -0.021 0.000 1.060 133 W CA -0.679 56.662 57.345 -0.007 0.000 1.221 133 W CB 2.066 31.565 29.460 0.065 0.000 1.281 133 W HN -0.174 nan 8.180 nan 0.000 0.456 134 S N 5.460 121.270 115.700 0.182 0.000 2.612 134 S HA 0.416 4.887 4.470 0.002 0.000 0.167 134 S C -1.438 173.196 174.600 0.056 0.000 0.961 134 S CA -0.447 57.816 58.200 0.106 0.000 1.085 134 S CB -0.530 62.712 63.200 0.070 0.000 1.477 134 S HN 0.478 nan 8.310 nan 0.000 0.413 135 I N 2.863 123.466 120.570 0.055 0.000 2.827 135 I HA 0.518 4.690 4.170 0.002 0.000 0.298 135 I C -1.456 174.590 176.117 -0.117 0.000 1.235 135 I CA -0.709 60.564 61.300 -0.046 0.000 1.021 135 I CB 1.903 39.809 38.000 -0.156 0.000 1.259 135 I HN 0.417 nan 8.210 nan 0.000 0.427 136 N N 8.073 126.706 118.700 -0.112 0.000 2.678 136 N HA 0.252 4.993 4.740 0.002 0.000 0.231 136 N C -2.285 173.085 175.510 -0.234 0.000 1.038 136 N CA -1.327 51.637 53.050 -0.144 0.000 0.932 136 N CB 1.547 40.038 38.487 0.007 0.000 1.176 136 N HN 0.393 nan 8.380 nan 0.000 0.511 137 P HA -0.154 nan 4.420 nan 0.000 0.216 137 P C 1.715 178.935 177.300 -0.132 0.000 1.153 137 P CA 0.724 63.324 63.100 -0.833 0.000 0.858 137 P CB 0.519 31.080 31.700 -1.899 0.000 0.789 138 L N -0.929 120.282 121.223 -0.020 0.000 2.093 138 L HA -0.125 4.216 4.340 0.002 0.000 0.208 138 L C 1.953 178.874 176.870 0.084 0.000 1.085 138 L CA 1.485 56.244 54.840 -0.135 0.000 0.755 138 L CB -0.495 41.398 42.059 -0.276 0.000 0.904 138 L HN -0.177 nan 8.230 nan 0.000 0.435 139 V N -0.540 119.433 119.914 0.098 0.000 2.453 139 V HA -0.272 3.849 4.120 0.002 0.000 0.247 139 V C 2.190 178.374 176.094 0.150 0.000 1.048 139 V CA 1.799 64.168 62.300 0.115 0.000 1.049 139 V CB -0.877 31.005 31.823 0.097 0.000 0.672 139 V HN 0.524 nan 8.190 nan 0.000 0.457 140 F N 1.225 121.200 119.950 0.040 0.000 2.065 140 F HA -0.249 4.279 4.527 0.002 0.000 0.298 140 F C 2.216 178.113 175.800 0.161 0.000 1.112 140 F CA 2.243 60.288 58.000 0.076 0.000 1.212 140 F CB -0.262 38.767 39.000 0.048 0.000 0.975 140 F HN -0.016 nan 8.300 nan 0.000 0.476 141 V N 0.906 121.023 119.914 0.338 0.000 2.427 141 V HA -0.295 3.827 4.120 0.002 0.000 0.248 141 V C 2.443 178.708 176.094 0.284 0.000 1.051 141 V CA 1.839 64.348 62.300 0.348 0.000 1.048 141 V CB -0.747 31.463 31.823 0.644 0.000 0.666 141 V HN 0.413 nan 8.190 nan 0.000 0.456 142 L N -0.187 121.194 121.223 0.263 0.000 2.012 142 L HA -0.188 4.154 4.340 0.002 0.000 0.210 142 L C 2.637 179.500 176.870 -0.012 0.000 1.073 142 L CA 1.833 56.714 54.840 0.068 0.000 0.748 142 L CB -0.677 41.356 42.059 -0.044 0.000 0.891 142 L HN 0.296 nan 8.230 nan 0.000 0.431 143 S N -0.158 115.512 115.700 -0.050 0.000 2.383 143 S HA -0.147 4.325 4.470 0.002 0.000 0.227 143 S C 1.815 176.329 174.600 -0.142 0.000 1.026 143 S CA 1.045 59.187 58.200 -0.096 0.000 0.981 143 S CB -0.276 62.862 63.200 -0.103 0.000 0.818 143 S HN 0.238 nan 8.310 nan 0.000 0.472 144 L N 1.969 123.049 121.223 -0.238 0.000 2.046 144 L HA 0.026 4.367 4.340 0.002 0.000 0.208 144 L C 1.898 178.718 176.870 -0.082 0.000 1.077 144 L CA 1.625 56.326 54.840 -0.232 0.000 0.747 144 L CB -0.676 41.170 42.059 -0.355 0.000 0.896 144 L HN 0.280 nan 8.230 nan 0.000 0.432 145 L N -0.778 120.441 121.223 -0.007 0.000 2.191 145 L HA -0.223 4.118 4.340 0.002 0.000 0.212 145 L C 2.511 179.377 176.870 -0.006 0.000 1.103 145 L CA 1.143 56.002 54.840 0.032 0.000 0.769 145 L CB -0.530 41.592 42.059 0.104 0.000 0.908 145 L HN 0.282 nan 8.230 nan 0.000 0.438 146 K N -0.344 120.038 120.400 -0.031 0.000 2.209 146 K HA -0.152 4.169 4.320 0.002 0.000 0.204 146 K C 1.994 178.574 176.600 -0.033 0.000 1.048 146 K CA 0.882 57.148 56.287 -0.036 0.000 0.940 146 K CB 0.128 32.601 32.500 -0.044 0.000 0.729 146 K HN 0.151 nan 8.250 nan 0.000 0.451 147 K N -0.032 120.342 120.400 -0.043 0.000 2.168 147 K HA -0.012 4.309 4.320 0.002 0.000 0.201 147 K C 1.859 178.439 176.600 -0.034 0.000 1.049 147 K CA 0.970 57.233 56.287 -0.041 0.000 0.974 147 K CB 0.148 32.615 32.500 -0.055 0.000 0.792 147 K HN 0.136 nan 8.250 nan 0.000 0.463 148 V N -2.996 116.898 119.914 -0.032 0.000 3.427 148 V HA 0.428 4.549 4.120 0.002 0.000 0.305 148 V C 1.144 177.236 176.094 -0.004 0.000 1.412 148 V CA 0.580 62.864 62.300 -0.027 0.000 1.086 148 V CB -0.065 31.730 31.823 -0.048 0.000 0.964 148 V HN 0.366 nan 8.190 nan 0.000 0.439 149 G N 0.531 109.334 108.800 0.004 0.000 3.163 149 G HA2 -0.119 3.842 3.960 0.002 0.000 0.227 149 G HA3 -0.119 3.842 3.960 0.002 0.000 0.227 149 G C 0.832 175.755 174.900 0.039 0.000 1.300 149 G CA 0.183 45.292 45.100 0.015 0.000 0.867 149 G HN 1.937 nan 8.290 nan 0.000 0.533 150 G N -1.200 107.627 108.800 0.046 0.000 2.698 150 G HA2 0.686 4.647 3.960 0.002 0.000 0.293 150 G HA3 0.686 4.647 3.960 0.002 0.000 0.293 150 G C -1.572 173.372 174.900 0.073 0.000 1.437 150 G CA -0.568 44.575 45.100 0.071 0.000 0.852 150 G HN 0.902 nan 8.290 nan 0.000 0.499 151 L N 1.630 122.912 121.223 0.098 0.000 2.439 151 L HA 0.483 4.824 4.340 0.002 0.000 0.270 151 L C 0.684 177.607 176.870 0.089 0.000 0.972 151 L CA -0.900 54.000 54.840 0.100 0.000 0.836 151 L CB 2.226 44.366 42.059 0.135 0.000 1.255 151 L HN 0.755 nan 8.230 nan 0.000 0.404 152 S N 1.585 117.330 115.700 0.075 0.000 2.624 152 S HA 0.305 4.777 4.470 0.002 0.000 0.263 152 S C 0.887 175.515 174.600 0.045 0.000 1.287 152 S CA -0.645 57.590 58.200 0.058 0.000 0.990 152 S CB 1.408 64.640 63.200 0.054 0.000 0.950 152 S HN 0.638 nan 8.310 nan 0.000 0.561 153 K N -0.393 120.025 120.400 0.031 0.000 2.097 153 K HA -0.084 4.237 4.320 0.002 0.000 0.206 153 K C 1.887 178.469 176.600 -0.029 0.000 1.049 153 K CA 1.091 57.384 56.287 0.010 0.000 0.933 153 K CB -0.545 31.964 32.500 0.015 0.000 0.717 153 K HN 0.468 nan 8.250 nan 0.000 0.442 154 L N 1.959 123.156 121.223 -0.043 0.000 2.046 154 L HA -0.182 4.159 4.340 0.002 0.000 0.208 154 L C 1.384 178.137 176.870 -0.195 0.000 1.077 154 L CA 1.906 56.660 54.840 -0.143 0.000 0.747 154 L CB -0.440 41.556 42.059 -0.105 0.000 0.896 154 L HN 0.113 nan 8.230 nan 0.000 0.432 155 D N -0.367 120.009 120.400 -0.041 0.000 2.149 155 D HA -0.205 4.436 4.640 0.002 0.000 0.198 155 D C 2.324 178.697 176.300 0.123 0.000 0.990 155 D CA 1.788 55.845 54.000 0.096 0.000 0.839 155 D CB -0.114 40.775 40.800 0.148 0.000 0.948 155 D HN 0.431 nan 8.370 nan 0.000 0.460 156 I N 1.013 121.617 120.570 0.056 0.000 2.252 156 I HA -0.208 3.964 4.170 0.002 0.000 0.245 156 I C 2.471 178.571 176.117 -0.028 0.000 1.102 156 I CA 0.894 62.235 61.300 0.068 0.000 1.385 156 I CB -0.158 37.873 38.000 0.052 0.000 1.064 156 I HN -0.084 nan 8.210 nan 0.000 0.414 157 A N 0.491 123.241 122.820 -0.117 0.000 1.933 157 A HA -0.201 4.120 4.320 0.002 0.000 0.218 157 A C 2.319 179.746 177.584 -0.263 0.000 1.175 157 A CA 1.677 53.621 52.037 -0.155 0.000 0.628 157 A CB -0.489 18.401 19.000 -0.183 0.000 0.814 157 A HN 0.364 nan 8.150 nan 0.000 0.444 158 M N -2.802 116.462 119.600 -0.561 0.000 2.287 158 M HA 0.133 4.614 4.480 0.002 0.000 0.266 158 M C 1.182 177.160 176.300 -0.536 0.000 1.079 158 M CA 1.199 55.982 55.300 -0.861 0.000 1.146 158 M CB 0.071 31.820 32.600 -1.418 0.000 1.374 158 M HN 0.450 nan 8.290 nan 0.000 0.435 159 F N -2.416 117.509 119.950 -0.042 0.000 2.747 159 F HA 0.127 4.656 4.527 0.002 0.000 0.305 159 F C 1.965 177.835 175.800 0.116 0.000 1.065 159 F CA -0.090 57.942 58.000 0.053 0.000 1.230 159 F CB -0.169 38.855 39.000 0.042 0.000 1.027 159 F HN 0.071 nan 8.300 nan 0.000 0.607 160 C N 0.029 119.494 119.300 0.274 0.000 2.524 160 C HA 0.147 4.608 4.460 0.002 0.000 0.284 160 C C 2.591 177.582 174.990 0.002 0.000 1.346 160 C CA 0.201 59.420 59.018 0.336 0.000 1.739 160 C CB -0.823 27.177 27.740 0.433 0.000 2.119 160 C HN 0.358 nan 8.230 nan 0.000 0.501 161 L N 1.466 122.472 121.223 -0.362 0.000 2.275 161 L HA -0.081 4.261 4.340 0.002 0.000 0.215 161 L C 2.325 178.787 176.870 -0.679 0.000 1.119 161 L CA 1.831 56.068 54.840 -1.005 0.000 0.790 161 L CB -0.833 40.856 42.059 -0.618 0.000 0.919 161 L HN 0.547 nan 8.230 nan 0.000 0.443 162 T N -3.325 111.056 114.554 -0.288 0.000 3.086 162 T HA 0.362 4.714 4.350 0.002 0.000 0.250 162 T C 0.767 175.324 174.700 -0.239 0.000 1.074 162 T CA 0.019 61.967 62.100 -0.254 0.000 0.988 162 T CB 0.062 68.805 68.868 -0.208 0.000 0.988 162 T HN 0.167 nan 8.240 nan 0.000 0.530 163 A N 2.219 124.933 122.820 -0.176 0.000 2.454 163 A HA 0.503 4.824 4.320 0.002 0.000 0.260 163 A C 1.371 178.756 177.584 -0.331 0.000 1.106 163 A CA 0.036 51.895 52.037 -0.296 0.000 0.780 163 A CB 0.087 18.688 19.000 -0.665 0.000 1.044 163 A HN 0.498 nan 8.150 nan 0.000 0.498 164 T N -0.733 113.518 114.554 -0.505 0.000 3.040 164 T HA 0.213 4.564 4.350 0.002 0.000 0.266 164 T C 0.236 174.676 174.700 -0.434 0.000 1.005 164 T CA -0.153 61.478 62.100 -0.782 0.000 0.906 164 T CB -0.112 67.842 68.868 -1.525 0.000 1.082 164 T HN 0.549 nan 8.240 nan 0.000 0.531 165 N N 0.724 119.246 118.700 -0.296 0.000 2.260 165 N HA 0.319 5.060 4.740 0.002 0.000 0.293 165 N C -0.037 175.453 175.510 -0.033 0.000 1.058 165 N CA -0.449 52.524 53.050 -0.129 0.000 0.824 165 N CB 1.950 40.381 38.487 -0.094 0.000 1.551 165 N HN -0.148 nan 8.380 nan 0.000 0.475 166 N N 1.671 120.398 118.700 0.046 0.000 2.247 166 N HA -0.205 4.536 4.740 0.002 0.000 0.189 166 N C 0.871 176.495 175.510 0.191 0.000 1.009 166 N CA 1.288 54.443 53.050 0.175 0.000 0.872 166 N CB -0.198 38.358 38.487 0.115 0.000 0.980 166 N HN 0.685 nan 8.380 nan 0.000 0.436 167 N N 0.574 119.339 118.700 0.109 0.000 2.521 167 N HA -0.095 4.646 4.740 0.002 0.000 0.188 167 N C 0.800 176.381 175.510 0.118 0.000 1.146 167 N CA 0.501 53.607 53.050 0.094 0.000 0.893 167 N CB -0.439 38.078 38.487 0.051 0.000 0.975 167 N HN 0.345 nan 8.380 nan 0.000 0.451 168 Q N -0.055 119.854 119.800 0.182 0.000 2.403 168 Q HA 0.150 4.491 4.340 0.002 0.000 0.203 168 Q C 1.219 177.403 176.000 0.307 0.000 0.932 168 Q CA -0.070 55.860 55.803 0.213 0.000 0.945 168 Q CB 0.329 29.173 28.738 0.177 0.000 1.045 168 Q HN 0.208 nan 8.270 nan 0.000 0.511 169 V N 1.502 121.573 119.914 0.262 0.000 2.231 169 V HA -0.318 3.803 4.120 0.002 0.000 0.248 169 V C 1.617 177.715 176.094 0.007 0.000 1.054 169 V CA 2.260 64.563 62.300 0.005 0.000 1.015 169 V CB -0.405 31.337 31.823 -0.135 0.000 0.638 169 V HN 0.359 nan 8.190 nan 0.000 0.444 170 D N -0.381 120.032 120.400 0.021 0.000 2.116 170 D HA -0.214 4.427 4.640 0.002 0.000 0.193 170 D C 2.238 178.559 176.300 0.034 0.000 0.998 170 D CA 1.716 55.725 54.000 0.015 0.000 0.836 170 D CB -0.370 40.441 40.800 0.020 0.000 0.951 170 D HN 0.701 nan 8.370 nan 0.000 0.449 171 E N 0.595 120.833 120.200 0.063 0.000 2.077 171 E HA -0.167 4.184 4.350 0.002 0.000 0.193 171 E C 2.245 178.896 176.600 0.084 0.000 0.989 171 E CA 0.768 57.210 56.400 0.071 0.000 0.800 171 E CB -0.252 29.495 29.700 0.077 0.000 0.746 171 E HN 0.289 nan 8.360 nan 0.000 0.452 172 I N 1.259 121.899 120.570 0.117 0.000 2.439 172 I HA -0.149 4.023 4.170 0.002 0.000 0.251 172 I C 2.673 178.781 176.117 -0.014 0.000 1.139 172 I CA 0.737 62.108 61.300 0.120 0.000 1.438 172 I CB -0.247 37.916 38.000 0.273 0.000 1.085 172 I HN 0.176 nan 8.210 nan 0.000 0.427 173 A N 0.635 123.439 122.820 -0.027 0.000 1.865 173 A HA -0.235 4.086 4.320 0.002 0.000 0.217 173 A C 2.234 179.783 177.584 -0.059 0.000 1.191 173 A CA 1.691 53.686 52.037 -0.071 0.000 0.623 173 A CB -0.503 18.463 19.000 -0.057 0.000 0.826 173 A HN 0.286 nan 8.150 nan 0.000 0.444 174 E N -0.451 119.741 120.200 -0.013 0.000 2.085 174 E HA -0.213 4.138 4.350 0.002 0.000 0.194 174 E C 1.907 178.519 176.600 0.021 0.000 0.994 174 E CA 1.469 57.875 56.400 0.009 0.000 0.801 174 E CB -0.381 29.337 29.700 0.030 0.000 0.743 174 E HN 0.859 nan 8.360 nan 0.000 0.453 175 E N -0.111 120.107 120.200 0.029 0.000 2.347 175 E HA -0.079 4.272 4.350 0.002 0.000 0.196 175 E C 1.994 178.578 176.600 -0.027 0.000 1.008 175 E CA 0.250 56.706 56.400 0.093 0.000 0.852 175 E CB 0.033 29.854 29.700 0.201 0.000 0.783 175 E HN 0.219 nan 8.360 nan 0.000 0.505 176 I N 0.471 120.879 120.570 -0.270 0.000 2.480 176 I HA -0.190 3.981 4.170 0.002 0.000 0.251 176 I C 2.271 178.331 176.117 -0.094 0.000 1.124 176 I CA 0.427 61.426 61.300 -0.501 0.000 1.444 176 I CB -0.018 37.573 38.000 -0.682 0.000 1.098 176 I HN 0.195 nan 8.210 nan 0.000 0.428 177 M N -0.158 119.407 119.600 -0.058 0.000 2.213 177 M HA -0.221 4.260 4.480 0.002 0.000 0.263 177 M C 2.313 178.633 176.300 0.034 0.000 1.062 177 M CA 1.672 56.969 55.300 -0.005 0.000 1.105 177 M CB -1.079 31.513 32.600 -0.013 0.000 1.385 177 M HN 0.275 nan 8.290 nan 0.000 0.417 178 Q N 0.320 120.163 119.800 0.072 0.000 2.187 178 Q HA -0.125 4.217 4.340 0.002 0.000 0.199 178 Q C 1.889 177.977 176.000 0.147 0.000 0.957 178 Q CA 1.217 57.084 55.803 0.107 0.000 0.857 178 Q CB -0.390 28.433 28.738 0.142 0.000 0.929 178 Q HN 0.422 nan 8.270 nan 0.000 0.453 179 F N 0.666 120.622 119.950 0.009 0.000 2.102 179 F HA -0.063 4.465 4.527 0.002 0.000 0.298 179 F C 1.904 177.705 175.800 0.003 0.000 1.105 179 F CA 1.555 59.523 58.000 -0.053 0.000 1.239 179 F CB -0.035 38.839 39.000 -0.209 0.000 0.991 179 F HN -0.023 nan 8.300 nan 0.000 0.474 180 R N 0.289 120.791 120.500 0.004 0.000 2.092 180 R HA -0.138 4.203 4.340 0.002 0.000 0.231 180 R C 2.058 178.260 176.300 -0.163 0.000 1.119 180 R CA 1.749 57.782 56.100 -0.112 0.000 0.970 180 R CB -0.731 29.578 30.300 0.016 0.000 0.864 180 R HN 0.467 nan 8.270 nan 0.000 0.440 181 N N -0.057 118.588 118.700 -0.092 0.000 2.188 181 N HA -0.139 4.602 4.740 0.002 0.000 0.184 181 N C 1.449 176.872 175.510 -0.145 0.000 1.018 181 N CA 0.677 53.674 53.050 -0.089 0.000 0.858 181 N CB 0.169 38.635 38.487 -0.035 0.000 0.989 181 N HN 0.118 nan 8.380 nan 0.000 0.426 182 E N 1.031 121.139 120.200 -0.153 0.000 2.028 182 E HA -0.149 4.202 4.350 0.002 0.000 0.191 182 E C 1.808 178.073 176.600 -0.558 0.000 0.988 182 E CA 0.726 56.989 56.400 -0.229 0.000 0.799 182 E CB -0.403 29.301 29.700 0.006 0.000 0.755 182 E HN 0.275 nan 8.360 nan 0.000 0.447 183 R N 0.987 121.037 120.500 -0.750 0.000 2.133 183 R HA -0.247 4.094 4.340 0.002 0.000 0.247 183 R C 2.154 178.152 176.300 -0.503 0.000 1.151 183 R CA 2.009 57.579 56.100 -0.883 0.000 0.971 183 R CB -0.102 29.773 30.300 -0.709 0.000 0.866 183 R HN 0.113 nan 8.270 nan 0.000 0.447 184 E N 0.808 120.808 120.200 -0.333 0.000 2.110 184 E HA -0.190 4.161 4.350 0.002 0.000 0.193 184 E C 1.555 178.032 176.600 -0.206 0.000 0.988 184 E CA 1.744 58.016 56.400 -0.213 0.000 0.804 184 E CB -0.028 29.586 29.700 -0.144 0.000 0.745 184 E HN 0.320 nan 8.360 nan 0.000 0.458 185 K N -0.330 119.931 120.400 -0.232 0.000 2.209 185 K HA -0.028 4.293 4.320 0.002 0.000 0.204 185 K C -0.081 176.397 176.600 -0.203 0.000 1.048 185 K CA 0.332 56.509 56.287 -0.184 0.000 0.940 185 K CB -0.074 32.330 32.500 -0.160 0.000 0.729 185 K HN 0.192 nan 8.250 nan 0.000 0.451 186 I N 2.807 123.191 120.570 -0.309 0.000 2.578 186 I HA -0.041 4.130 4.170 0.002 0.000 0.286 186 I C 0.237 176.265 176.117 -0.149 0.000 1.126 186 I CA -0.142 61.010 61.300 -0.248 0.000 1.380 186 I CB -0.121 37.676 38.000 -0.339 0.000 1.408 186 I HN -0.169 nan 8.210 nan 0.000 0.532 187 K N 4.402 124.745 120.400 -0.094 0.000 2.298 187 K HA 0.628 4.949 4.320 0.002 0.000 0.280 187 K C 0.366 176.939 176.600 -0.044 0.000 1.032 187 K CA -0.140 56.109 56.287 -0.063 0.000 0.958 187 K CB 0.706 33.178 32.500 -0.045 0.000 0.978 187 K HN 0.859 nan 8.250 nan 0.000 0.472 188 G N 2.206 110.985 108.800 -0.036 0.000 3.434 188 G HA2 -0.150 3.812 3.960 0.002 0.000 0.686 188 G HA3 -0.150 3.812 3.960 0.002 0.000 0.686 188 G C 0.321 175.211 174.900 -0.016 0.000 1.099 188 G CA -0.071 45.017 45.100 -0.019 0.000 0.931 188 G HN 0.483 nan 8.290 nan 0.000 0.520 189 Q N 2.333 122.129 119.800 -0.008 0.000 2.096 189 Q HA -0.129 4.212 4.340 0.002 0.000 0.204 189 Q C 2.185 178.193 176.000 0.014 0.000 0.982 189 Q CA 2.930 58.732 55.803 -0.001 0.000 0.850 189 Q CB -0.265 28.476 28.738 0.005 0.000 0.901 189 Q HN 0.790 nan 8.270 nan 0.000 0.422 190 N N -0.556 118.154 118.700 0.016 0.000 2.142 190 N HA -0.147 4.595 4.740 0.002 0.000 0.186 190 N C 1.243 176.777 175.510 0.040 0.000 1.023 190 N CA 1.265 54.332 53.050 0.028 0.000 0.852 190 N CB -0.073 38.428 38.487 0.022 0.000 0.998 190 N HN 0.008 nan 8.380 nan 0.000 0.424 191 K N 1.123 121.540 120.400 0.029 0.000 2.044 191 K HA -0.079 4.242 4.320 0.002 0.000 0.210 191 K C 1.837 178.477 176.600 0.067 0.000 1.049 191 K CA 1.271 57.582 56.287 0.041 0.000 0.927 191 K CB -0.306 32.202 32.500 0.013 0.000 0.713 191 K HN 0.299 nan 8.250 nan 0.000 0.443 192 K N 0.181 120.598 120.400 0.030 0.000 2.063 192 K HA -0.078 4.243 4.320 0.002 0.000 0.208 192 K C 2.088 178.765 176.600 0.129 0.000 1.048 192 K CA 1.327 57.632 56.287 0.029 0.000 0.928 192 K CB -0.259 32.226 32.500 -0.024 0.000 0.713 192 K HN 0.068 nan 8.250 nan 0.000 0.442 193 L N 0.986 122.273 121.223 0.107 0.000 2.012 193 L HA -0.240 4.101 4.340 0.002 0.000 0.210 193 L C 2.259 179.221 176.870 0.154 0.000 1.073 193 L CA 1.591 56.506 54.840 0.124 0.000 0.748 193 L CB -0.645 41.463 42.059 0.083 0.000 0.891 193 L HN 0.281 nan 8.230 nan 0.000 0.431 194 E N -0.229 120.054 120.200 0.139 0.000 2.072 194 E HA -0.226 4.125 4.350 0.002 0.000 0.191 194 E C 2.027 178.744 176.600 0.195 0.000 0.985 194 E CA 1.245 57.725 56.400 0.133 0.000 0.801 194 E CB -0.251 29.508 29.700 0.098 0.000 0.750 194 E HN 0.378 nan 8.360 nan 0.000 0.452 195 F N 2.232 122.229 119.950 0.079 0.000 2.043 195 F HA -0.284 4.244 4.527 0.002 0.000 0.297 195 F C 2.389 178.316 175.800 0.211 0.000 1.121 195 F CA 2.073 60.138 58.000 0.108 0.000 1.199 195 F CB -0.699 38.325 39.000 0.039 0.000 0.968 195 F HN -0.124 nan 8.300 nan 0.000 0.478 196 T N 0.022 114.840 114.554 0.440 0.000 2.592 196 T HA -0.372 3.980 4.350 0.002 0.000 0.267 196 T C 1.699 176.597 174.700 0.329 0.000 1.060 196 T CA 2.175 64.548 62.100 0.456 0.000 1.167 196 T CB -0.581 68.539 68.868 0.420 0.000 0.863 196 T HN 0.453 nan 8.240 nan 0.000 0.431 197 E N 1.203 121.553 120.200 0.250 0.000 2.160 197 E HA -0.140 4.211 4.350 0.002 0.000 0.195 197 E C 2.039 178.755 176.600 0.194 0.000 0.991 197 E CA 1.280 57.814 56.400 0.224 0.000 0.810 197 E CB -0.294 29.488 29.700 0.137 0.000 0.742 197 E HN 0.541 nan 8.360 nan 0.000 0.466 198 N N -0.867 117.916 118.700 0.139 0.000 2.333 198 N HA -0.177 4.565 4.740 0.002 0.000 0.178 198 N C 1.804 177.388 175.510 0.123 0.000 1.018 198 N CA 0.776 53.886 53.050 0.100 0.000 0.882 198 N CB -0.275 38.230 38.487 0.031 0.000 0.984 198 N HN 0.282 nan 8.380 nan 0.000 0.434 199 Y N 0.697 120.960 120.300 -0.061 0.000 2.207 199 Y HA -0.207 4.344 4.550 0.002 0.000 0.287 199 Y C 2.119 178.051 175.900 0.055 0.000 1.156 199 Y CA 1.503 59.574 58.100 -0.049 0.000 1.182 199 Y CB -0.511 37.937 38.460 -0.021 0.000 0.979 199 Y HN 0.028 nan 8.280 nan 0.000 0.521 200 F N -0.390 119.594 119.950 0.057 0.000 2.128 200 F HA -0.191 4.337 4.527 0.002 0.000 0.295 200 F C 2.134 177.835 175.800 -0.166 0.000 1.100 200 F CA 1.241 59.152 58.000 -0.149 0.000 1.260 200 F CB -1.505 37.377 39.000 -0.196 0.000 1.009 200 F HN 0.174 nan 8.300 nan 0.000 0.476 201 F N 1.113 120.989 119.950 -0.123 0.000 2.091 201 F HA -0.263 4.266 4.527 0.002 0.000 0.299 201 F C 2.373 178.123 175.800 -0.084 0.000 1.103 201 F CA 2.251 60.139 58.000 -0.188 0.000 1.228 201 F CB -0.310 38.606 39.000 -0.140 0.000 0.984 201 F HN -0.098 nan 8.300 nan 0.000 0.477 202 K N -0.263 120.187 120.400 0.083 0.000 2.031 202 K HA -0.112 4.210 4.320 0.002 0.000 0.205 202 K C 2.295 178.843 176.600 -0.086 0.000 1.049 202 K CA 1.114 57.403 56.287 0.004 0.000 0.939 202 K CB -0.264 32.221 32.500 -0.024 0.000 0.717 202 K HN 0.073 nan 8.250 nan 0.000 0.438 203 R N -0.545 119.881 120.500 -0.124 0.000 2.083 203 R HA -0.123 4.218 4.340 0.002 0.000 0.237 203 R C 1.948 178.317 176.300 0.114 0.000 1.137 203 R CA 1.530 57.593 56.100 -0.062 0.000 0.951 203 R CB -0.230 30.006 30.300 -0.108 0.000 0.851 203 R HN 0.136 nan 8.270 nan 0.000 0.434 204 F N 1.478 121.352 119.950 -0.127 0.000 2.293 204 F HA -0.146 4.383 4.527 0.002 0.000 0.300 204 F C 2.533 178.276 175.800 -0.095 0.000 1.086 204 F CA 1.030 58.995 58.000 -0.058 0.000 1.375 204 F CB -0.508 38.360 39.000 -0.220 0.000 1.045 204 F HN 0.160 nan 8.300 nan 0.000 0.516 205 E N 1.147 121.286 120.200 -0.102 0.000 2.017 205 E HA -0.256 4.095 4.350 0.002 0.000 0.193 205 E C 1.895 178.473 176.600 -0.037 0.000 0.997 205 E CA 1.614 57.930 56.400 -0.141 0.000 0.804 205 E CB -0.165 29.445 29.700 -0.151 0.000 0.757 205 E HN 0.244 nan 8.360 nan 0.000 0.448 206 K N 0.115 120.491 120.400 -0.040 0.000 2.280 206 K HA -0.028 4.293 4.320 0.002 0.000 0.202 206 K C 2.104 178.649 176.600 -0.092 0.000 1.047 206 K CA 1.160 57.417 56.287 -0.049 0.000 0.942 206 K CB -0.050 32.419 32.500 -0.052 0.000 0.739 206 K HN 0.275 nan 8.250 nan 0.000 0.457 207 I N -1.471 119.027 120.570 -0.120 0.000 2.628 207 I HA -0.110 4.061 4.170 0.002 0.000 0.255 207 I C 0.678 176.534 176.117 -0.435 0.000 1.119 207 I CA 0.587 61.711 61.300 -0.294 0.000 1.448 207 I CB 0.276 38.035 38.000 -0.401 0.000 1.133 207 I HN 0.058 nan 8.210 nan 0.000 0.438 208 Y N 0.844 120.992 120.300 -0.253 0.000 2.583 208 Y HA 0.264 4.815 4.550 0.002 0.000 0.294 208 Y C 2.117 177.942 175.900 -0.124 0.000 1.170 208 Y CA -0.288 57.684 58.100 -0.212 0.000 1.265 208 Y CB -0.585 37.723 38.460 -0.254 0.000 1.119 208 Y HN 0.035 nan 8.280 nan 0.000 0.522 209 G N 0.284 109.077 108.800 -0.012 0.000 2.605 209 G HA2 -0.292 3.669 3.960 0.002 0.000 0.222 209 G HA3 -0.292 3.669 3.960 0.002 0.000 0.222 209 G C 0.758 175.667 174.900 0.015 0.000 1.092 209 G CA 0.459 45.569 45.100 0.018 0.000 0.730 209 G HN 0.457 nan 8.290 nan 0.000 0.588 210 N N -1.359 117.332 118.700 -0.016 0.000 2.202 210 N HA 0.322 5.063 4.740 0.002 0.000 0.228 210 N C -0.363 175.160 175.510 0.023 0.000 1.340 210 N CA 0.467 53.509 53.050 -0.013 0.000 0.865 210 N CB 0.415 38.881 38.487 -0.035 0.000 1.062 210 N HN 0.076 nan 8.380 nan 0.000 0.452 223 H N 3.663 122.750 119.070 0.028 0.000 2.486 223 H HA -0.241 4.316 4.556 0.002 0.000 0.278 223 H C 1.897 177.276 175.328 0.084 0.000 1.080 223 H CA 2.764 58.840 56.048 0.047 0.000 1.188 223 H CB -0.103 29.698 29.762 0.066 0.000 1.512 223 H HN 0.701 nan 8.280 nan 0.000 0.686 224 K N -0.069 120.434 120.400 0.172 0.000 2.163 224 K HA -0.212 4.109 4.320 0.002 0.000 0.210 224 K C 2.516 179.163 176.600 0.078 0.000 1.048 224 K CA 1.971 58.374 56.287 0.194 0.000 0.928 224 K CB -0.263 32.297 32.500 0.100 0.000 0.716 224 K HN 0.364 nan 8.250 nan 0.000 0.459 225 S N 0.215 115.932 115.700 0.028 0.000 2.442 225 S HA -0.116 4.355 4.470 0.002 0.000 0.236 225 S C 1.510 176.081 174.600 -0.047 0.000 1.007 225 S CA 0.926 59.121 58.200 -0.008 0.000 0.965 225 S CB -0.065 63.134 63.200 -0.003 0.000 0.773 225 S HN 0.255 nan 8.310 nan 0.000 0.504 226 K N 1.469 121.825 120.400 -0.074 0.000 2.029 226 K HA 0.199 4.520 4.320 0.002 0.000 0.205 226 K C 2.304 178.781 176.600 -0.204 0.000 1.042 226 K CA 1.216 57.432 56.287 -0.118 0.000 0.949 226 K CB -0.767 31.677 32.500 -0.093 0.000 0.740 226 K HN 0.619 nan 8.250 nan 0.000 0.442 227 I N 0.634 121.021 120.570 -0.305 0.000 2.756 227 I HA -0.121 4.050 4.170 0.002 0.000 0.262 227 I C 1.527 177.450 176.117 -0.324 0.000 1.225 227 I CA 1.324 62.383 61.300 -0.402 0.000 1.472 227 I CB -0.013 37.588 38.000 -0.665 0.000 1.094 227 I HN 0.119 nan 8.210 nan 0.000 0.454 228 E N 0.646 120.738 120.200 -0.179 0.000 2.216 228 E HA -0.118 4.233 4.350 0.002 0.000 0.192 228 E C 1.911 178.407 176.600 -0.174 0.000 0.988 228 E CA 1.438 57.746 56.400 -0.154 0.000 0.834 228 E CB 0.096 29.768 29.700 -0.047 0.000 0.772 228 E HN 0.520 nan 8.360 nan 0.000 0.479 229 T N 0.818 115.281 114.554 -0.152 0.000 2.777 229 T HA -0.098 4.254 4.350 0.002 0.000 0.266 229 T C 1.632 176.236 174.700 -0.161 0.000 1.040 229 T CA 0.852 62.872 62.100 -0.132 0.000 1.141 229 T CB 0.041 68.843 68.868 -0.110 0.000 0.868 229 T HN -0.077 nan 8.240 nan 0.000 0.444 230 K N 1.389 121.648 120.400 -0.235 0.000 2.032 230 K HA 0.101 4.422 4.320 0.002 0.000 0.209 230 K C 2.147 178.717 176.600 -0.051 0.000 1.048 230 K CA 1.335 57.460 56.287 -0.271 0.000 0.927 230 K CB -0.661 31.456 32.500 -0.639 0.000 0.712 230 K HN 0.416 nan 8.250 nan 0.000 0.441 231 M N -0.387 119.061 119.600 -0.254 0.000 2.117 231 M HA -0.137 4.344 4.480 0.002 0.000 0.262 231 M C 2.298 178.497 176.300 -0.167 0.000 1.065 231 M CA 1.570 56.534 55.300 -0.561 0.000 1.114 231 M CB -0.260 31.661 32.600 -1.132 0.000 1.361 231 M HN 0.033 nan 8.290 nan 0.000 0.408 232 R N 0.472 120.890 120.500 -0.137 0.000 2.092 232 R HA -0.112 4.230 4.340 0.002 0.000 0.231 232 R C 1.857 178.148 176.300 -0.016 0.000 1.119 232 R CA 1.451 57.518 56.100 -0.055 0.000 0.970 232 R CB -0.043 30.219 30.300 -0.063 0.000 0.864 232 R HN 0.333 nan 8.270 nan 0.000 0.440 233 N N 0.520 119.204 118.700 -0.027 0.000 2.142 233 N HA -0.128 4.613 4.740 0.002 0.000 0.186 233 N C 1.530 177.054 175.510 0.024 0.000 1.023 233 N CA 1.509 54.549 53.050 -0.016 0.000 0.852 233 N CB -0.382 38.077 38.487 -0.046 0.000 0.998 233 N HN 0.303 nan 8.380 nan 0.000 0.424 234 A N 1.431 124.300 122.820 0.082 0.000 1.933 234 A HA -0.105 4.216 4.320 0.002 0.000 0.218 234 A C 2.251 179.872 177.584 0.061 0.000 1.175 234 A CA 1.117 53.229 52.037 0.125 0.000 0.628 234 A CB -0.365 18.811 19.000 0.294 0.000 0.814 234 A HN 0.214 nan 8.150 nan 0.000 0.444 235 R N -0.778 119.763 120.500 0.068 0.000 2.075 235 R HA -0.130 4.211 4.340 0.002 0.000 0.232 235 R C 1.890 178.207 176.300 0.028 0.000 1.126 235 R CA 1.347 57.471 56.100 0.041 0.000 0.963 235 R CB -0.388 29.948 30.300 0.060 0.000 0.858 235 R HN 0.536 nan 8.270 nan 0.000 0.435 236 D N 0.253 120.670 120.400 0.028 0.000 2.117 236 D HA -0.116 4.525 4.640 0.002 0.000 0.197 236 D C 1.788 178.110 176.300 0.037 0.000 0.987 236 D CA 0.994 55.012 54.000 0.030 0.000 0.829 236 D CB 0.125 40.937 40.800 0.021 0.000 0.961 236 D HN -0.047 nan 8.370 nan 0.000 0.460 237 V N 0.884 120.817 119.914 0.031 0.000 2.453 237 V HA -0.137 3.984 4.120 0.002 0.000 0.247 237 V C 2.612 178.718 176.094 0.020 0.000 1.048 237 V CA 1.499 63.826 62.300 0.045 0.000 1.049 237 V CB -0.766 31.087 31.823 0.049 0.000 0.672 237 V HN 0.246 nan 8.190 nan 0.000 0.457 238 A N 0.401 123.217 122.820 -0.006 0.000 1.917 238 A HA -0.333 3.988 4.320 0.002 0.000 0.219 238 A C 2.059 179.638 177.584 -0.009 0.000 1.182 238 A CA 2.334 54.356 52.037 -0.025 0.000 0.633 238 A CB -0.711 18.273 19.000 -0.026 0.000 0.819 238 A HN 0.608 nan 8.150 nan 0.000 0.448 239 D N -0.055 120.356 120.400 0.018 0.000 2.088 239 D HA -0.095 4.546 4.640 0.002 0.000 0.191 239 D C 2.110 178.441 176.300 0.052 0.000 0.992 239 D CA 2.179 56.201 54.000 0.036 0.000 0.831 239 D CB -0.500 40.329 40.800 0.048 0.000 0.973 239 D HN 0.322 nan 8.370 nan 0.000 0.447 240 A N -0.366 122.501 122.820 0.078 0.000 1.892 240 A HA -0.232 4.090 4.320 0.002 0.000 0.218 240 A C 2.438 180.088 177.584 0.111 0.000 1.188 240 A CA 2.948 55.072 52.037 0.145 0.000 0.631 240 A CB -1.318 17.766 19.000 0.141 0.000 0.822 240 A HN 0.420 nan 8.150 nan 0.000 0.447 241 T N 0.309 114.842 114.554 -0.035 0.000 2.665 241 T HA -0.213 4.138 4.350 0.002 0.000 0.268 241 T C 2.167 176.664 174.700 -0.338 0.000 1.035 241 T CA 2.602 64.532 62.100 -0.283 0.000 1.151 241 T CB -0.960 67.725 68.868 -0.305 0.000 0.862 241 T HN 0.868 nan 8.240 nan 0.000 0.438 242 T N 1.129 115.598 114.554 -0.142 0.000 2.788 242 T HA -0.087 4.265 4.350 0.002 0.000 0.268 242 T C 1.993 176.729 174.700 0.060 0.000 1.044 242 T CA 0.828 62.897 62.100 -0.052 0.000 1.139 242 T CB -0.302 68.573 68.868 0.013 0.000 0.867 242 T HN 0.389 nan 8.240 nan 0.000 0.454 243 R N -0.268 120.288 120.500 0.093 0.000 2.075 243 R HA 0.038 4.380 4.340 0.002 0.000 0.232 243 R C 2.347 178.721 176.300 0.124 0.000 1.126 243 R CA 1.381 57.542 56.100 0.101 0.000 0.963 243 R CB -0.539 29.802 30.300 0.068 0.000 0.858 243 R HN 0.409 nan 8.270 nan 0.000 0.435 244 Y N -0.371 119.944 120.300 0.026 0.000 2.242 244 Y HA -0.158 4.393 4.550 0.002 0.000 0.291 244 Y C 2.042 178.144 175.900 0.335 0.000 1.137 244 Y CA 1.157 59.309 58.100 0.086 0.000 1.181 244 Y CB -0.160 38.343 38.460 0.071 0.000 0.989 244 Y HN -0.061 nan 8.280 nan 0.000 0.527 245 F N -0.211 119.847 119.950 0.181 0.000 2.163 245 F HA -0.067 4.461 4.527 0.002 0.000 0.297 245 F C 2.243 178.171 175.800 0.213 0.000 1.094 245 F CA 0.977 59.016 58.000 0.065 0.000 1.290 245 F CB -1.002 37.703 39.000 -0.491 0.000 1.017 245 F HN -0.063 nan 8.300 nan 0.000 0.483 246 R N -1.352 119.360 120.500 0.354 0.000 2.120 246 R HA -0.220 4.122 4.340 0.002 0.000 0.234 246 R C 2.051 178.508 176.300 0.262 0.000 1.123 246 R CA 1.237 57.522 56.100 0.309 0.000 0.975 246 R CB -0.773 29.656 30.300 0.215 0.000 0.866 246 R HN 0.236 nan 8.270 nan 0.000 0.446 247 Y N 1.691 122.046 120.300 0.092 0.000 2.256 247 Y HA -0.239 4.312 4.550 0.002 0.000 0.288 247 Y C 2.468 178.412 175.900 0.074 0.000 1.155 247 Y CA 1.839 59.935 58.100 -0.007 0.000 1.203 247 Y CB -0.315 38.011 38.460 -0.222 0.000 0.980 247 Y HN 0.127 nan 8.280 nan 0.000 0.530 248 T N -3.555 111.125 114.554 0.209 0.000 3.035 248 T HA 0.116 4.467 4.350 0.002 0.000 0.268 248 T C 1.880 176.643 174.700 0.104 0.000 1.109 248 T CA 1.004 63.209 62.100 0.175 0.000 1.119 248 T CB -0.721 68.320 68.868 0.288 0.000 0.900 248 T HN 0.648 nan 8.240 nan 0.000 0.503 249 G N 1.003 109.869 108.800 0.110 0.000 2.179 249 G HA2 -0.260 3.702 3.960 0.002 0.000 0.260 249 G HA3 -0.260 3.702 3.960 0.002 0.000 0.260 249 G C 0.719 175.659 174.900 0.067 0.000 0.977 249 G CA 0.401 45.541 45.100 0.066 0.000 0.641 249 G HN 0.564 nan 8.290 nan 0.000 0.533 250 L N -1.139 120.147 121.223 0.105 0.000 2.341 250 L HA 0.378 4.719 4.340 0.002 0.000 0.214 250 L C 0.772 177.484 176.870 -0.263 0.000 1.115 250 L CA 0.492 55.263 54.840 -0.115 0.000 0.820 250 L CB -0.053 41.873 42.059 -0.223 0.000 0.944 250 L HN 0.197 nan 8.230 nan 0.000 0.452 251 F N -0.858 119.145 119.950 0.088 0.000 2.546 251 F HA 0.585 5.113 4.527 0.002 0.000 0.320 251 F C 0.089 175.950 175.800 0.102 0.000 1.076 251 F CA -1.302 56.766 58.000 0.114 0.000 0.928 251 F CB 1.576 40.694 39.000 0.198 0.000 1.189 251 F HN -0.387 nan 8.300 nan 0.000 0.465 252 V N -0.749 119.324 119.914 0.264 0.000 3.141 252 V HA 0.982 5.104 4.120 0.002 0.000 0.312 252 V C -0.698 175.492 176.094 0.161 0.000 1.157 252 V CA -1.456 60.953 62.300 0.181 0.000 1.041 252 V CB 1.338 33.229 31.823 0.114 0.000 1.071 252 V HN 1.016 nan 8.190 nan 0.000 0.441 253 A N 1.740 124.628 122.820 0.113 0.000 2.309 253 A HA 0.804 5.125 4.320 0.002 0.000 0.298 253 A C 0.080 177.691 177.584 0.044 0.000 1.165 253 A CA -0.658 51.425 52.037 0.076 0.000 0.821 253 A CB 0.647 19.677 19.000 0.050 0.000 1.102 253 A HN 0.854 nan 8.150 nan 0.000 0.500 254 R N 2.373 122.890 120.500 0.028 0.000 2.371 254 R HA 0.478 4.819 4.340 0.002 0.000 0.312 254 R C 0.806 177.080 176.300 -0.044 0.000 0.980 254 R CA 0.830 56.929 56.100 -0.002 0.000 0.867 254 R CB 0.674 30.985 30.300 0.018 0.000 1.163 254 R HN 1.636 nan 8.270 nan 0.000 0.492 255 G N 4.150 112.879 108.800 -0.119 0.000 2.611 255 G HA2 -0.441 3.520 3.960 0.002 0.000 0.301 255 G HA3 -0.441 3.520 3.960 0.002 0.000 0.301 255 G C 0.325 175.145 174.900 -0.134 0.000 1.233 255 G CA 0.620 45.606 45.100 -0.191 0.000 0.993 255 G HN 0.748 nan 8.290 nan 0.000 0.553 256 N N 1.391 120.047 118.700 -0.073 0.000 2.313 256 N HA 0.122 4.863 4.740 0.002 0.000 0.207 256 N C 0.489 176.013 175.510 0.024 0.000 1.141 256 N CA 0.703 53.749 53.050 -0.006 0.000 0.830 256 N CB 0.311 38.807 38.487 0.015 0.000 1.008 256 N HN 0.794 nan 8.380 nan 0.000 0.481 257 Q N 0.446 120.261 119.800 0.024 0.000 2.312 257 Q HA 0.305 4.646 4.340 0.002 0.000 0.263 257 Q C -1.019 175.030 176.000 0.081 0.000 0.995 257 Q CA -1.095 54.741 55.803 0.054 0.000 0.853 257 Q CB 2.577 31.345 28.738 0.049 0.000 1.300 257 Q HN 0.184 nan 8.270 nan 0.000 0.448 258 L N 3.785 125.075 121.223 0.112 0.000 2.410 258 L HA 0.258 4.599 4.340 0.002 0.000 0.273 258 L C -0.621 176.374 176.870 0.207 0.000 1.144 258 L CA 0.121 55.066 54.840 0.174 0.000 0.863 258 L CB 0.688 42.853 42.059 0.177 0.000 1.140 258 L HN 0.495 nan 8.230 nan 0.000 0.463 259 V N 3.053 123.101 119.914 0.224 0.000 3.160 259 V HA 0.551 4.673 4.120 0.002 0.000 0.310 259 V C -0.227 175.972 176.094 0.175 0.000 1.181 259 V CA -1.283 61.123 62.300 0.177 0.000 1.047 259 V CB 1.724 33.604 31.823 0.094 0.000 1.068 259 V HN 0.636 nan 8.190 nan 0.000 0.441 260 L N 2.299 123.556 121.223 0.057 0.000 2.456 260 L HA 0.288 4.630 4.340 0.002 0.000 0.272 260 L C 0.719 177.563 176.870 -0.044 0.000 1.189 260 L CA -0.011 54.781 54.840 -0.082 0.000 0.846 260 L CB 0.175 42.162 42.059 -0.121 0.000 1.111 260 L HN 0.829 nan 8.230 nan 0.000 0.475 261 N N 5.222 123.876 118.700 -0.076 0.000 2.427 261 N HA 0.035 4.776 4.740 0.002 0.000 0.269 261 N C -1.478 173.997 175.510 -0.057 0.000 1.235 261 N CA -1.556 51.470 53.050 -0.040 0.000 0.934 261 N CB 0.964 39.427 38.487 -0.040 0.000 1.121 261 N HN 0.318 nan 8.380 nan 0.000 0.480 262 P HA -0.142 nan 4.420 nan 0.000 0.221 262 P C 0.043 177.314 177.300 -0.049 0.000 1.145 262 P CA 1.326 64.403 63.100 -0.039 0.000 0.795 262 P CB 0.330 32.017 31.700 -0.022 0.000 0.775 263 E N -0.234 119.937 120.200 -0.048 0.000 2.489 263 E HA 0.007 4.358 4.350 0.002 0.000 0.193 263 E C 0.807 177.356 176.600 -0.084 0.000 1.057 263 E CA 0.297 56.662 56.400 -0.058 0.000 0.866 263 E CB -0.001 29.671 29.700 -0.048 0.000 0.916 263 E HN 0.255 nan 8.360 nan 0.000 0.500 264 K N 0.183 120.526 120.400 -0.095 0.000 2.618 264 K HA 0.263 4.584 4.320 0.002 0.000 0.207 264 K C 1.024 177.544 176.600 -0.132 0.000 1.058 264 K CA -0.035 56.178 56.287 -0.123 0.000 1.086 264 K CB 0.948 33.373 32.500 -0.125 0.000 0.827 264 K HN -0.109 nan 8.250 nan 0.000 0.481 265 S N 1.756 117.390 115.700 -0.111 0.000 2.359 265 S HA -0.153 4.318 4.470 0.002 0.000 0.224 265 S C 1.202 175.738 174.600 -0.107 0.000 1.035 265 S CA 1.635 59.774 58.200 -0.102 0.000 1.018 265 S CB 0.017 63.170 63.200 -0.078 0.000 0.876 265 S HN 0.336 nan 8.310 nan 0.000 0.448 266 D N 0.825 121.156 120.400 -0.116 0.000 2.149 266 D HA -0.009 4.632 4.640 0.002 0.000 0.201 266 D C 1.856 178.079 176.300 -0.128 0.000 0.972 266 D CA 0.383 54.319 54.000 -0.108 0.000 0.835 266 D CB -0.395 40.337 40.800 -0.113 0.000 0.966 266 D HN 0.221 nan 8.370 nan 0.000 0.476 267 L N 0.761 121.876 121.223 -0.181 0.000 2.056 267 L HA -0.059 4.282 4.340 0.002 0.000 0.207 267 L C 2.046 178.784 176.870 -0.220 0.000 1.078 267 L CA 1.328 56.031 54.840 -0.229 0.000 0.749 267 L CB -0.493 41.421 42.059 -0.241 0.000 0.901 267 L HN -0.037 nan 8.230 nan 0.000 0.433 268 I N -0.260 120.206 120.570 -0.173 0.000 2.264 268 I HA -0.292 3.879 4.170 0.002 0.000 0.248 268 I C 1.998 178.051 176.117 -0.108 0.000 1.111 268 I CA 1.320 62.529 61.300 -0.152 0.000 1.382 268 I CB -0.503 37.395 38.000 -0.170 0.000 1.060 268 I HN 0.302 nan 8.210 nan 0.000 0.418 269 D N 0.439 120.784 120.400 -0.091 0.000 2.117 269 D HA -0.225 4.417 4.640 0.002 0.000 0.197 269 D C 2.049 178.327 176.300 -0.036 0.000 0.987 269 D CA 1.203 55.170 54.000 -0.055 0.000 0.829 269 D CB -0.159 40.614 40.800 -0.045 0.000 0.961 269 D HN 0.391 nan 8.370 nan 0.000 0.460 270 E N 0.055 120.223 120.200 -0.053 0.000 2.106 270 E HA -0.110 4.242 4.350 0.002 0.000 0.192 270 E C 2.247 178.856 176.600 0.014 0.000 0.984 270 E CA 0.438 56.828 56.400 -0.016 0.000 0.806 270 E CB -0.023 29.657 29.700 -0.033 0.000 0.750 270 E HN 0.229 nan 8.360 nan 0.000 0.458 271 I N 0.778 121.325 120.570 -0.038 0.000 2.179 271 I HA -0.291 3.880 4.170 0.002 0.000 0.242 271 I C 2.322 178.483 176.117 0.073 0.000 1.088 271 I CA 0.991 62.330 61.300 0.065 0.000 1.357 271 I CB -0.173 37.843 38.000 0.027 0.000 1.051 271 I HN 0.214 nan 8.210 nan 0.000 0.409 272 I N -0.268 120.318 120.570 0.026 0.000 2.226 272 I HA -0.325 3.846 4.170 0.002 0.000 0.245 272 I C 2.748 178.892 176.117 0.044 0.000 1.100 272 I CA 1.438 62.756 61.300 0.030 0.000 1.374 272 I CB -0.318 37.683 38.000 0.002 0.000 1.057 272 I HN 0.210 nan 8.210 nan 0.000 0.413 273 S N 0.231 115.956 115.700 0.041 0.000 2.383 273 S HA -0.146 4.325 4.470 0.002 0.000 0.227 273 S C 1.979 176.617 174.600 0.064 0.000 1.026 273 S CA 1.806 60.033 58.200 0.045 0.000 0.981 273 S CB -0.149 63.075 63.200 0.039 0.000 0.818 273 S HN 0.568 nan 8.310 nan 0.000 0.472 274 S N -0.189 115.566 115.700 0.092 0.000 2.540 274 S HA 0.372 4.843 4.470 0.002 0.000 0.218 274 S C 0.520 175.188 174.600 0.112 0.000 0.977 274 S CA -0.469 57.794 58.200 0.104 0.000 0.918 274 S CB 0.150 63.434 63.200 0.139 0.000 0.806 274 S HN 0.237 nan 8.310 nan 0.000 0.496 275 S N 2.534 118.302 115.700 0.112 0.000 2.585 275 S HA 0.493 4.965 4.470 0.002 0.000 0.273 275 S C -0.107 174.549 174.600 0.093 0.000 1.339 275 S CA -0.411 57.860 58.200 0.118 0.000 1.028 275 S CB 0.573 63.840 63.200 0.112 0.000 0.906 275 S HN 0.790 nan 8.310 nan 0.000 0.528 276 K N -0.964 119.496 120.400 0.099 0.000 2.597 276 K HA 0.529 4.850 4.320 0.002 0.000 0.282 276 K C -2.071 174.571 176.600 0.070 0.000 0.975 276 K CA -0.990 55.338 56.287 0.069 0.000 0.867 276 K CB 0.849 33.374 32.500 0.042 0.000 1.465 276 K HN 0.244 nan 8.250 nan 0.000 0.417 277 V N 2.350 122.293 119.914 0.048 0.000 2.318 277 V HA 0.236 4.357 4.120 0.002 0.000 0.271 277 V C 0.282 176.402 176.094 0.044 0.000 1.030 277 V CA -0.723 61.605 62.300 0.047 0.000 0.844 277 V CB 0.843 32.690 31.823 0.039 0.000 1.015 277 V HN 0.607 nan 8.190 nan 0.000 0.460 278 V N 3.553 123.486 119.914 0.031 0.000 2.953 278 V HA 0.524 4.645 4.120 0.002 0.000 0.304 278 V C 0.934 177.105 176.094 0.128 0.000 1.073 278 V CA -0.330 61.957 62.300 -0.021 0.000 1.064 278 V CB 1.222 32.900 31.823 -0.243 0.000 1.047 278 V HN 0.641 nan 8.190 nan 0.000 0.478 279 K N 1.708 122.142 120.400 0.057 0.000 2.367 279 K HA 0.107 4.428 4.320 0.002 0.000 0.194 279 K C 0.862 177.348 176.600 -0.190 0.000 1.027 279 K CA 0.922 57.231 56.287 0.036 0.000 1.075 279 K CB -0.511 31.971 32.500 -0.030 0.000 0.845 279 K HN 1.025 nan 8.250 nan 0.000 0.529 280 N N 0.525 119.183 118.700 -0.069 0.000 3.111 280 N HA -0.051 4.690 4.740 0.002 0.000 0.302 280 N C 0.337 175.865 175.510 0.029 0.000 1.317 280 N CA -0.191 52.811 53.050 -0.081 0.000 1.151 280 N CB -0.501 37.973 38.487 -0.022 0.000 1.456 280 N HN 0.172 nan 8.380 nan 0.000 0.547 281 Y N -3.243 117.011 120.300 -0.076 0.000 2.467 281 Y HA 0.336 4.887 4.550 0.002 0.000 0.250 281 Y C 1.582 177.383 175.900 -0.164 0.000 1.155 281 Y CA -0.397 57.497 58.100 -0.344 0.000 1.249 281 Y CB -0.583 37.441 38.460 -0.727 0.000 1.146 281 Y HN 0.232 nan 8.280 nan 0.000 0.524 282 T N -2.074 112.376 114.554 -0.173 0.000 3.067 282 T HA 0.257 4.608 4.350 0.002 0.000 0.257 282 T C 0.671 175.484 174.700 0.189 0.000 1.105 282 T CA -0.030 62.070 62.100 0.001 0.000 1.104 282 T CB 0.028 68.821 68.868 -0.125 0.000 0.925 282 T HN 0.216 nan 8.240 nan 0.000 0.498 283 R N 0.011 120.580 120.500 0.115 0.000 2.637 283 R HA 0.553 4.895 4.340 0.002 0.000 0.291 283 R C 0.713 176.927 176.300 -0.143 0.000 0.963 283 R CA -0.507 55.636 56.100 0.073 0.000 0.901 283 R CB 2.214 32.522 30.300 0.014 0.000 1.160 283 R HN -0.044 nan 8.270 nan 0.000 0.457 284 V N 2.597 122.227 119.914 -0.474 0.000 2.407 284 V HA -0.204 3.917 4.120 0.002 0.000 0.248 284 V C 1.644 177.468 176.094 -0.450 0.000 1.055 284 V CA 1.934 63.672 62.300 -0.935 0.000 1.049 284 V CB -0.092 31.100 31.823 -1.052 0.000 0.662 284 V HN 0.691 nan 8.190 nan 0.000 0.455 285 E N -0.259 119.771 120.200 -0.283 0.000 2.047 285 E HA -0.257 4.094 4.350 0.002 0.000 0.191 285 E C 2.128 178.643 176.600 -0.142 0.000 0.987 285 E CA 1.575 57.842 56.400 -0.221 0.000 0.799 285 E CB -0.246 29.404 29.700 -0.083 0.000 0.752 285 E HN 0.797 nan 8.360 nan 0.000 0.449 286 E N 0.049 120.203 120.200 -0.076 0.000 2.077 286 E HA -0.187 4.164 4.350 0.002 0.000 0.193 286 E C 1.947 178.552 176.600 0.007 0.000 0.989 286 E CA 0.709 57.093 56.400 -0.027 0.000 0.800 286 E CB -0.154 29.541 29.700 -0.010 0.000 0.746 286 E HN 0.110 nan 8.360 nan 0.000 0.452 287 F N 1.183 121.034 119.950 -0.166 0.000 2.146 287 F HA -0.160 4.368 4.527 0.002 0.000 0.298 287 F C 2.165 177.832 175.800 -0.222 0.000 1.096 287 F CA 1.667 59.563 58.000 -0.173 0.000 1.275 287 F CB -0.227 38.636 39.000 -0.228 0.000 1.008 287 F HN 0.139 nan 8.300 nan 0.000 0.480 288 H N -0.460 118.447 119.070 -0.272 0.000 2.524 288 H HA -0.081 4.476 4.556 0.002 0.000 0.282 288 H C 2.059 177.236 175.328 -0.252 0.000 1.016 288 H CA 1.203 57.027 56.048 -0.373 0.000 1.270 288 H CB -0.302 29.021 29.762 -0.731 0.000 1.394 288 H HN 0.488 nan 8.280 nan 0.000 0.568 289 E N 0.617 120.760 120.200 -0.095 0.000 2.209 289 E HA -0.213 4.138 4.350 0.002 0.000 0.196 289 E C 1.787 178.368 176.600 -0.031 0.000 0.993 289 E CA 0.908 57.280 56.400 -0.046 0.000 0.819 289 E CB 0.024 29.707 29.700 -0.028 0.000 0.745 289 E HN 0.468 nan 8.360 nan 0.000 0.477 290 Y N -0.788 119.389 120.300 -0.206 0.000 2.230 290 Y HA -0.123 4.428 4.550 0.002 0.000 0.294 290 Y C 1.885 177.654 175.900 -0.219 0.000 1.120 290 Y CA 1.247 59.224 58.100 -0.204 0.000 1.129 290 Y CB -0.635 37.690 38.460 -0.224 0.000 1.040 290 Y HN 0.053 nan 8.280 nan 0.000 0.519 291 Y N 0.974 120.854 120.300 -0.700 0.000 2.373 291 Y HA 0.130 4.681 4.550 0.002 0.000 0.293 291 Y C 2.214 177.822 175.900 -0.487 0.000 1.129 291 Y CA 1.147 58.736 58.100 -0.852 0.000 1.226 291 Y CB -0.633 37.164 38.460 -1.106 0.000 1.000 291 Y HN 0.225 nan 8.280 nan 0.000 0.549 292 G N -0.192 108.417 108.800 -0.318 0.000 3.141 292 G HA2 -0.108 3.853 3.960 0.002 0.000 0.218 292 G HA3 -0.108 3.853 3.960 0.002 0.000 0.218 292 G C 0.147 174.921 174.900 -0.210 0.000 1.170 292 G CA -0.211 44.749 45.100 -0.234 0.000 0.769 292 G HN 0.185 nan 8.290 nan 0.000 0.546 293 N N 1.111 119.658 118.700 -0.255 0.000 2.462 293 N HA 0.231 4.972 4.740 0.002 0.000 0.242 293 N C -1.703 173.674 175.510 -0.221 0.000 1.010 293 N CA -2.283 50.650 53.050 -0.196 0.000 0.939 293 N CB 2.340 40.726 38.487 -0.167 0.000 1.127 293 N HN -0.064 nan 8.380 nan 0.000 0.509 294 P HA 0.070 nan 4.420 nan 0.000 0.245 294 P C 0.347 177.550 177.300 -0.160 0.000 1.212 294 P CA 0.388 63.391 63.100 -0.161 0.000 0.774 294 P CB 0.393 32.026 31.700 -0.111 0.000 0.999 295 S N -0.498 115.106 115.700 -0.160 0.000 2.527 295 S HA 0.119 4.591 4.470 0.002 0.000 0.222 295 S C 0.929 175.394 174.600 -0.224 0.000 0.985 295 S CA 0.190 58.288 58.200 -0.171 0.000 0.921 295 S CB -0.323 62.797 63.200 -0.133 0.000 0.772 295 S HN 0.159 nan 8.310 nan 0.000 0.529 296 L N 3.050 124.131 121.223 -0.236 0.000 2.322 296 L HA 0.445 4.786 4.340 0.002 0.000 0.279 296 L C -2.424 174.265 176.870 -0.302 0.000 1.036 296 L CA -2.599 52.088 54.840 -0.254 0.000 0.807 296 L CB 1.161 43.096 42.059 -0.207 0.000 1.226 296 L HN -0.112 nan 8.230 nan 0.000 0.433 297 P HA 0.007 nan 4.420 nan 0.000 0.274 297 P C -1.314 175.632 177.300 -0.590 0.000 1.237 297 P CA -0.446 62.455 63.100 -0.331 0.000 0.793 297 P CB 0.824 32.376 31.700 -0.245 0.000 0.977 298 Q N 1.667 121.232 119.800 -0.392 0.000 2.322 298 Q HA 0.273 4.614 4.340 0.002 0.000 0.256 298 Q C -0.933 174.848 176.000 -0.364 0.000 0.960 298 Q CA -0.552 55.019 55.803 -0.388 0.000 0.934 298 Q CB 0.087 28.701 28.738 -0.207 0.000 1.200 298 Q HN 0.249 nan 8.270 nan 0.000 0.435 299 F N 0.726 120.494 119.950 -0.305 0.000 2.382 299 F HA 0.047 4.575 4.527 0.002 0.000 0.331 299 F C 1.941 177.473 175.800 -0.445 0.000 1.121 299 F CA -0.284 57.463 58.000 -0.422 0.000 1.183 299 F CB 1.004 39.523 39.000 -0.802 0.000 1.207 299 F HN 0.658 nan 8.300 nan 0.000 0.555 300 S N 1.858 117.545 115.700 -0.022 0.000 2.380 300 S HA -0.302 4.169 4.470 0.002 0.000 0.229 300 S C 1.509 176.117 174.600 0.013 0.000 1.043 300 S CA 1.842 60.056 58.200 0.023 0.000 1.038 300 S CB -1.321 61.953 63.200 0.122 0.000 0.872 300 S HN 0.619 nan 8.310 nan 0.000 0.456 301 F N 1.077 121.090 119.950 0.105 0.000 2.773 301 F HA 0.502 5.030 4.527 0.002 0.000 0.304 301 F C 0.941 176.784 175.800 0.072 0.000 1.129 301 F CA -0.683 57.359 58.000 0.070 0.000 1.378 301 F CB -0.619 38.412 39.000 0.051 0.000 1.095 301 F HN 0.109 nan 8.300 nan 0.000 0.565 302 E N 2.348 122.401 120.200 -0.245 0.000 2.368 302 E HA 0.099 4.450 4.350 0.002 0.000 0.283 302 E C 0.109 176.679 176.600 -0.052 0.000 1.476 302 E CA -0.191 56.125 56.400 -0.140 0.000 1.786 302 E CB -0.080 29.466 29.700 -0.257 0.000 1.518 302 E HN 0.446 nan 8.360 nan 0.000 0.456 303 T N -3.168 111.392 114.554 0.010 0.000 2.940 303 T HA 0.229 4.581 4.350 0.002 0.000 0.288 303 T C 1.027 175.745 174.700 0.029 0.000 1.033 303 T CA -0.951 61.157 62.100 0.013 0.000 1.033 303 T CB 2.444 71.325 68.868 0.021 0.000 1.079 303 T HN 0.052 nan 8.240 nan 0.000 0.496 304 K N 0.698 121.108 120.400 0.016 0.000 2.020 304 K HA -0.245 4.076 4.320 0.002 0.000 0.212 304 K C 1.778 178.393 176.600 0.025 0.000 1.050 304 K CA 2.207 58.503 56.287 0.015 0.000 0.929 304 K CB -0.305 32.200 32.500 0.008 0.000 0.714 304 K HN 0.696 nan 8.250 nan 0.000 0.443 305 E N 0.635 120.854 120.200 0.032 0.000 2.058 305 E HA -0.197 4.154 4.350 0.002 0.000 0.194 305 E C 2.140 178.773 176.600 0.055 0.000 0.997 305 E CA 1.739 58.164 56.400 0.042 0.000 0.801 305 E CB -0.050 29.675 29.700 0.041 0.000 0.746 305 E HN 0.453 nan 8.360 nan 0.000 0.450 306 Q N -0.455 119.389 119.800 0.074 0.000 2.331 306 Q HA 0.100 4.441 4.340 0.002 0.000 0.203 306 Q C 2.064 178.134 176.000 0.117 0.000 0.944 306 Q CA 0.289 56.156 55.803 0.107 0.000 0.892 306 Q CB 0.187 29.018 28.738 0.155 0.000 0.983 306 Q HN 0.283 nan 8.270 nan 0.000 0.482 307 L N 0.109 121.393 121.223 0.102 0.000 2.156 307 L HA -0.143 4.198 4.340 0.002 0.000 0.208 307 L C 2.112 178.984 176.870 0.003 0.000 1.095 307 L CA 0.673 55.565 54.840 0.086 0.000 0.770 307 L CB -0.209 41.894 42.059 0.073 0.000 0.914 307 L HN 0.248 nan 8.230 nan 0.000 0.439 308 L N -0.238 120.969 121.223 -0.027 0.000 2.012 308 L HA -0.273 4.068 4.340 0.002 0.000 0.210 308 L C 2.259 179.044 176.870 -0.143 0.000 1.073 308 L CA 1.327 56.084 54.840 -0.138 0.000 0.748 308 L CB -0.528 41.487 42.059 -0.073 0.000 0.891 308 L HN 0.304 nan 8.230 nan 0.000 0.431 309 D N -0.353 120.054 120.400 0.010 0.000 2.117 309 D HA -0.197 4.444 4.640 0.002 0.000 0.197 309 D C 2.009 178.340 176.300 0.051 0.000 0.987 309 D CA 1.072 55.115 54.000 0.071 0.000 0.829 309 D CB -0.235 40.608 40.800 0.072 0.000 0.961 309 D HN 0.152 nan 8.370 nan 0.000 0.460 310 L N 1.009 122.245 121.223 0.022 0.000 2.046 310 L HA -0.036 4.305 4.340 0.002 0.000 0.208 310 L C 2.123 179.011 176.870 0.031 0.000 1.077 310 L CA 1.753 56.593 54.840 0.001 0.000 0.747 310 L CB -0.893 41.157 42.059 -0.016 0.000 0.896 310 L HN -0.021 nan 8.230 nan 0.000 0.432 311 A N -1.319 121.509 122.820 0.013 0.000 1.908 311 A HA -0.260 4.061 4.320 0.002 0.000 0.218 311 A C 2.187 179.901 177.584 0.216 0.000 1.181 311 A CA 1.881 53.968 52.037 0.083 0.000 0.627 311 A CB -0.958 18.026 19.000 -0.026 0.000 0.818 311 A HN 0.671 nan 8.150 nan 0.000 0.445 312 H N -0.927 118.233 119.070 0.150 0.000 2.428 312 H HA -0.037 4.520 4.556 0.002 0.000 0.296 312 H C 2.151 177.490 175.328 0.019 0.000 1.062 312 H CA 1.515 57.606 56.048 0.072 0.000 1.350 312 H CB -0.259 29.532 29.762 0.048 0.000 1.403 312 H HN 0.610 nan 8.280 nan 0.000 0.533 313 R N 0.680 121.265 120.500 0.143 0.000 2.081 313 R HA -0.064 4.277 4.340 0.002 0.000 0.235 313 R C 2.148 178.473 176.300 0.043 0.000 1.131 313 R CA 1.151 57.288 56.100 0.061 0.000 0.960 313 R CB -0.181 30.134 30.300 0.025 0.000 0.856 313 R HN 0.212 nan 8.270 nan 0.000 0.436 314 I N 0.219 120.829 120.570 0.067 0.000 2.315 314 I HA -0.211 3.960 4.170 0.002 0.000 0.248 314 I C 2.645 178.796 176.117 0.057 0.000 1.117 314 I CA 1.012 62.351 61.300 0.065 0.000 1.404 314 I CB -0.274 37.785 38.000 0.098 0.000 1.071 314 I HN 0.192 nan 8.210 nan 0.000 0.419 315 R N 1.411 121.937 120.500 0.043 0.000 2.083 315 R HA -0.204 4.137 4.340 0.002 0.000 0.237 315 R C 1.824 178.063 176.300 -0.102 0.000 1.137 315 R CA 1.968 57.972 56.100 -0.160 0.000 0.951 315 R CB -0.253 29.768 30.300 -0.466 0.000 0.851 315 R HN 0.241 nan 8.270 nan 0.000 0.434 316 D N 0.174 120.543 120.400 -0.053 0.000 2.117 316 D HA -0.141 4.500 4.640 0.002 0.000 0.197 316 D C 1.704 177.987 176.300 -0.030 0.000 0.987 316 D CA 1.400 55.373 54.000 -0.045 0.000 0.829 316 D CB -0.157 40.626 40.800 -0.029 0.000 0.961 316 D HN 0.445 nan 8.370 nan 0.000 0.460 317 E N 0.339 120.529 120.200 -0.016 0.000 2.085 317 E HA -0.158 4.193 4.350 0.002 0.000 0.194 317 E C 1.800 178.393 176.600 -0.011 0.000 0.994 317 E CA 0.783 57.176 56.400 -0.012 0.000 0.801 317 E CB 0.007 29.703 29.700 -0.006 0.000 0.743 317 E HN 0.190 nan 8.360 nan 0.000 0.453 318 N N 0.042 118.736 118.700 -0.010 0.000 2.142 318 N HA -0.100 4.641 4.740 0.002 0.000 0.186 318 N C 1.860 177.361 175.510 -0.014 0.000 1.023 318 N CA 1.395 54.442 53.050 -0.005 0.000 0.852 318 N CB -0.657 37.834 38.487 0.007 0.000 0.998 318 N HN 0.074 nan 8.380 nan 0.000 0.424 319 T N 1.129 115.663 114.554 -0.034 0.000 2.652 319 T HA -0.115 4.236 4.350 0.002 0.000 0.267 319 T C 2.015 176.704 174.700 -0.019 0.000 1.039 319 T CA 1.130 63.209 62.100 -0.035 0.000 1.153 319 T CB -0.131 68.704 68.868 -0.056 0.000 0.863 319 T HN 0.232 nan 8.240 nan 0.000 0.428 320 R N 0.010 120.499 120.500 -0.018 0.000 2.096 320 R HA -0.100 4.242 4.340 0.002 0.000 0.240 320 R C 2.313 178.612 176.300 -0.000 0.000 1.139 320 R CA 1.201 57.295 56.100 -0.010 0.000 0.952 320 R CB -0.528 29.766 30.300 -0.011 0.000 0.854 320 R HN 0.195 nan 8.270 nan 0.000 0.436 321 L N 0.063 121.286 121.223 -0.000 0.000 1.994 321 L HA -0.118 4.223 4.340 0.002 0.000 0.208 321 L C 2.326 179.206 176.870 0.016 0.000 1.071 321 L CA 2.076 56.919 54.840 0.005 0.000 0.745 321 L CB -1.089 40.971 42.059 0.002 0.000 0.892 321 L HN 0.196 nan 8.230 nan 0.000 0.431 322 A N -0.917 121.911 122.820 0.014 0.000 1.858 322 A HA -0.223 4.098 4.320 0.002 0.000 0.216 322 A C 2.143 179.745 177.584 0.030 0.000 1.190 322 A CA 1.714 53.765 52.037 0.024 0.000 0.617 322 A CB -0.597 18.413 19.000 0.016 0.000 0.827 322 A HN 0.539 nan 8.150 nan 0.000 0.443 323 E N -0.238 119.971 120.200 0.015 0.000 2.160 323 E HA -0.246 4.105 4.350 0.002 0.000 0.195 323 E C 2.168 178.783 176.600 0.025 0.000 0.991 323 E CA 1.386 57.793 56.400 0.012 0.000 0.810 323 E CB -0.242 29.457 29.700 -0.001 0.000 0.742 323 E HN 0.767 nan 8.360 nan 0.000 0.466 324 Q N 0.028 119.848 119.800 0.034 0.000 2.291 324 Q HA -0.071 4.270 4.340 0.002 0.000 0.205 324 Q C 1.953 178.013 176.000 0.100 0.000 0.970 324 Q CA 0.792 56.628 55.803 0.054 0.000 0.876 324 Q CB 0.107 28.873 28.738 0.047 0.000 0.935 324 Q HN 0.311 nan 8.270 nan 0.000 0.455 325 L N -1.009 120.281 121.223 0.110 0.000 2.515 325 L HA 0.051 4.393 4.340 0.002 0.000 0.223 325 L C 2.035 179.036 176.870 0.218 0.000 1.079 325 L CA -0.046 54.922 54.840 0.214 0.000 0.857 325 L CB 0.109 42.267 42.059 0.164 0.000 1.050 325 L HN 0.037 nan 8.230 nan 0.000 0.476 326 V N 0.728 120.704 119.914 0.103 0.000 2.759 326 V HA -0.228 3.893 4.120 0.002 0.000 0.256 326 V C 2.332 178.422 176.094 -0.006 0.000 1.080 326 V CA 2.097 64.437 62.300 0.067 0.000 1.101 326 V CB 0.097 31.938 31.823 0.030 0.000 0.698 326 V HN 0.629 nan 8.190 nan 0.000 0.477 327 E N -0.581 119.571 120.200 -0.081 0.000 2.028 327 E HA -0.257 4.094 4.350 0.002 0.000 0.191 327 E C 2.058 178.424 176.600 -0.390 0.000 0.988 327 E CA 1.976 58.222 56.400 -0.257 0.000 0.799 327 E CB -0.404 29.083 29.700 -0.356 0.000 0.755 327 E HN 0.746 nan 8.360 nan 0.000 0.447 328 H N -1.652 117.324 119.070 -0.157 0.000 2.544 328 H HA 0.135 4.692 4.556 0.002 0.000 0.269 328 H C -0.131 174.762 175.328 -0.724 0.000 0.970 328 H CA 0.503 56.272 56.048 -0.465 0.000 1.219 328 H CB 0.316 29.696 29.762 -0.637 0.000 1.421 328 H HN 0.167 nan 8.280 nan 0.000 0.555 329 F N 1.590 121.606 119.950 0.110 0.000 2.660 329 F HA 0.280 4.808 4.527 0.002 0.000 0.352 329 F C -1.817 174.017 175.800 0.057 0.000 1.257 329 F CA -2.307 55.748 58.000 0.092 0.000 1.200 329 F CB 1.558 40.613 39.000 0.092 0.000 1.473 329 F HN -0.102 nan 8.300 nan 0.000 0.561 330 P HA -0.137 nan 4.420 nan 0.000 0.230 330 P C 1.001 178.362 177.300 0.102 0.000 1.158 330 P CA 1.005 64.159 63.100 0.089 0.000 0.769 330 P CB 0.089 31.817 31.700 0.047 0.000 0.807 331 N N 0.715 119.498 118.700 0.139 0.000 2.585 331 N HA -0.105 4.636 4.740 0.002 0.000 0.188 331 N C 1.380 176.935 175.510 0.075 0.000 1.102 331 N CA 1.148 54.254 53.050 0.094 0.000 0.920 331 N CB -1.802 36.741 38.487 0.093 0.000 0.963 331 N HN 0.185 nan 8.380 nan 0.000 0.447 332 V N -1.566 118.408 119.914 0.099 0.000 3.305 332 V HA -0.029 4.093 4.120 0.002 0.000 0.269 332 V C 2.136 178.257 176.094 0.044 0.000 1.157 332 V CA 1.214 63.554 62.300 0.068 0.000 1.157 332 V CB -0.820 31.049 31.823 0.077 0.000 0.772 332 V HN 0.362 nan 8.190 nan 0.000 0.498 333 K N 0.811 121.236 120.400 0.042 0.000 2.280 333 K HA -0.085 4.237 4.320 0.002 0.000 0.202 333 K C 1.756 178.366 176.600 0.016 0.000 1.047 333 K CA 1.730 58.032 56.287 0.026 0.000 0.942 333 K CB -0.440 32.074 32.500 0.024 0.000 0.739 333 K HN 0.469 nan 8.250 nan 0.000 0.457 334 V N 1.903 121.823 119.914 0.011 0.000 2.255 334 V HA -0.236 3.885 4.120 0.002 0.000 0.247 334 V C 1.976 178.072 176.094 0.004 0.000 1.051 334 V CA 2.308 64.606 62.300 -0.003 0.000 1.018 334 V CB -0.503 31.307 31.823 -0.022 0.000 0.641 334 V HN 0.381 nan 8.190 nan 0.000 0.445 335 E N -0.189 120.018 120.200 0.013 0.000 2.158 335 E HA -0.031 4.320 4.350 0.002 0.000 0.191 335 E C 2.014 178.629 176.600 0.025 0.000 0.982 335 E CA 0.729 57.141 56.400 0.019 0.000 0.823 335 E CB -0.283 29.432 29.700 0.025 0.000 0.766 335 E HN 0.538 nan 8.360 nan 0.000 0.468 336 I N 0.672 121.255 120.570 0.021 0.000 2.208 336 I HA -0.326 3.845 4.170 0.002 0.000 0.245 336 I C 2.378 178.509 176.117 0.022 0.000 1.097 336 I CA 1.309 62.620 61.300 0.019 0.000 1.363 336 I CB -0.164 37.844 38.000 0.014 0.000 1.051 336 I HN 0.164 nan 8.210 nan 0.000 0.413 337 Q N 0.968 120.779 119.800 0.019 0.000 2.123 337 Q HA -0.106 4.235 4.340 0.002 0.000 0.199 337 Q C 2.074 178.090 176.000 0.028 0.000 0.966 337 Q CA 1.579 57.394 55.803 0.020 0.000 0.845 337 Q CB -0.268 28.477 28.738 0.011 0.000 0.907 337 Q HN 0.328 nan 8.270 nan 0.000 0.439 338 V N 0.778 120.707 119.914 0.024 0.000 2.392 338 V HA -0.223 3.898 4.120 0.002 0.000 0.249 338 V C 2.249 178.383 176.094 0.066 0.000 1.059 338 V CA 1.460 63.776 62.300 0.027 0.000 1.051 338 V CB -0.745 31.086 31.823 0.013 0.000 0.658 338 V HN 0.402 nan 8.190 nan 0.000 0.455 339 L N 0.397 121.669 121.223 0.081 0.000 2.042 339 L HA -0.177 4.165 4.340 0.002 0.000 0.210 339 L C 2.455 179.432 176.870 0.179 0.000 1.076 339 L CA 2.292 57.218 54.840 0.142 0.000 0.749 339 L CB -1.149 40.957 42.059 0.079 0.000 0.893 339 L HN 0.441 nan 8.230 nan 0.000 0.432 340 E N -0.324 119.936 120.200 0.099 0.000 2.072 340 E HA -0.184 4.167 4.350 0.002 0.000 0.191 340 E C 1.811 178.479 176.600 0.114 0.000 0.985 340 E CA 1.404 57.863 56.400 0.098 0.000 0.801 340 E CB -0.030 29.701 29.700 0.052 0.000 0.750 340 E HN 0.482 nan 8.360 nan 0.000 0.452 341 D N -0.012 120.436 120.400 0.080 0.000 2.117 341 D HA -0.146 4.495 4.640 0.002 0.000 0.197 341 D C 2.095 178.435 176.300 0.067 0.000 0.987 341 D CA 1.008 55.043 54.000 0.058 0.000 0.829 341 D CB -0.231 40.583 40.800 0.024 0.000 0.961 341 D HN 0.305 nan 8.370 nan 0.000 0.460 342 I N 0.130 120.752 120.570 0.088 0.000 2.127 342 I HA -0.316 3.855 4.170 0.002 0.000 0.241 342 I C 2.198 178.321 176.117 0.011 0.000 1.075 342 I CA 1.253 62.582 61.300 0.048 0.000 1.334 342 I CB -0.309 37.733 38.000 0.071 0.000 1.040 342 I HN -0.026 nan 8.210 nan 0.000 0.405 343 Y N 0.656 120.987 120.300 0.052 0.000 2.439 343 Y HA -0.119 4.433 4.550 0.002 0.000 0.292 343 Y C 2.128 178.057 175.900 0.048 0.000 1.130 343 Y CA 1.125 59.258 58.100 0.055 0.000 1.254 343 Y CB -0.811 37.688 38.460 0.065 0.000 1.000 343 Y HN 0.241 nan 8.280 nan 0.000 0.554 344 N N -0.829 117.966 118.700 0.159 0.000 2.430 344 N HA -0.167 4.574 4.740 0.002 0.000 0.186 344 N C 1.719 177.266 175.510 0.062 0.000 1.032 344 N CA 0.996 54.105 53.050 0.098 0.000 0.893 344 N CB -0.092 38.438 38.487 0.072 0.000 0.957 344 N HN 0.156 nan 8.380 nan 0.000 0.442 345 S N 0.611 116.334 115.700 0.038 0.000 2.423 345 S HA -0.002 4.469 4.470 0.002 0.000 0.231 345 S C 1.721 176.330 174.600 0.014 0.000 1.014 345 S CA 0.619 58.828 58.200 0.015 0.000 0.965 345 S CB -0.071 63.126 63.200 -0.004 0.000 0.785 345 S HN 0.323 nan 8.310 nan 0.000 0.495 346 L N 1.563 122.799 121.223 0.023 0.000 2.362 346 L HA -0.053 4.288 4.340 0.002 0.000 0.219 346 L C 2.123 179.023 176.870 0.049 0.000 1.134 346 L CA 0.426 55.285 54.840 0.031 0.000 0.807 346 L CB -0.583 41.509 42.059 0.056 0.000 0.927 346 L HN 0.268 nan 8.230 nan 0.000 0.447 347 N N 0.907 119.641 118.700 0.056 0.000 2.069 347 N HA -0.176 4.565 4.740 0.002 0.000 0.191 347 N C 1.777 177.307 175.510 0.033 0.000 1.031 347 N CA 1.431 54.510 53.050 0.049 0.000 0.852 347 N CB -0.002 38.513 38.487 0.048 0.000 1.018 347 N HN 0.274 nan 8.380 nan 0.000 0.423 348 K N 0.787 121.203 120.400 0.025 0.000 2.103 348 K HA 0.011 4.332 4.320 0.002 0.000 0.204 348 K C 0.372 176.980 176.600 0.013 0.000 1.052 348 K CA 1.019 57.316 56.287 0.017 0.000 0.945 348 K CB 0.155 32.662 32.500 0.012 0.000 0.722 348 K HN 0.210 nan 8.250 nan 0.000 0.443 349 K N -0.534 119.873 120.400 0.012 0.000 2.557 349 K HA 0.276 4.597 4.320 0.002 0.000 0.257 349 K C -1.384 175.218 176.600 0.003 0.000 0.933 349 K CA -0.572 55.718 56.287 0.006 0.000 0.820 349 K CB 1.514 34.014 32.500 -0.000 0.000 1.330 349 K HN -0.194 nan 8.250 nan 0.000 0.432 350 V N 3.030 122.946 119.914 0.004 0.000 2.315 350 V HA 0.219 4.340 4.120 0.002 0.000 0.265 350 V C -1.070 175.021 176.094 -0.004 0.000 1.019 350 V CA -0.509 61.791 62.300 -0.000 0.000 0.824 350 V CB 0.354 32.184 31.823 0.012 0.000 1.072 350 V HN 0.925 nan 8.190 nan 0.000 0.448 351 D N 2.270 122.663 120.400 -0.011 0.000 2.493 351 D HA 0.440 5.081 4.640 0.002 0.000 0.239 351 D C 0.939 177.228 176.300 -0.018 0.000 1.049 351 D CA -0.817 53.175 54.000 -0.013 0.000 1.008 351 D CB 1.965 42.757 40.800 -0.014 0.000 1.398 351 D HN -0.104 nan 8.370 nan 0.000 0.513 352 V N -0.179 119.724 119.914 -0.018 0.000 2.332 352 V HA -0.229 3.892 4.120 0.002 0.000 0.248 352 V C 2.281 178.359 176.094 -0.026 0.000 1.055 352 V CA 2.380 64.668 62.300 -0.019 0.000 1.038 352 V CB -0.669 31.140 31.823 -0.023 0.000 0.651 352 V HN 0.677 nan 8.190 nan 0.000 0.450 353 E N 0.145 120.326 120.200 -0.032 0.000 2.072 353 E HA -0.164 4.188 4.350 0.002 0.000 0.191 353 E C 2.233 178.807 176.600 -0.043 0.000 0.985 353 E CA 1.957 58.333 56.400 -0.041 0.000 0.801 353 E CB -0.485 29.190 29.700 -0.041 0.000 0.750 353 E HN 0.580 nan 8.360 nan 0.000 0.452 354 T N 0.796 115.328 114.554 -0.037 0.000 2.746 354 T HA -0.080 4.271 4.350 0.002 0.000 0.267 354 T C 1.845 176.511 174.700 -0.057 0.000 1.039 354 T CA 1.175 63.251 62.100 -0.040 0.000 1.142 354 T CB -0.234 68.615 68.868 -0.031 0.000 0.866 354 T HN 0.111 nan 8.240 nan 0.000 0.444 355 L N 0.376 121.568 121.223 -0.051 0.000 2.046 355 L HA -0.101 4.240 4.340 0.002 0.000 0.208 355 L C 2.658 179.498 176.870 -0.049 0.000 1.077 355 L CA 1.389 56.193 54.840 -0.060 0.000 0.747 355 L CB -0.405 41.632 42.059 -0.037 0.000 0.896 355 L HN 0.197 nan 8.230 nan 0.000 0.432 356 K N -0.301 120.081 120.400 -0.031 0.000 2.057 356 K HA -0.178 4.144 4.320 0.002 0.000 0.207 356 K C 1.742 178.314 176.600 -0.047 0.000 1.049 356 K CA 1.461 57.740 56.287 -0.014 0.000 0.931 356 K CB -0.111 32.376 32.500 -0.021 0.000 0.714 356 K HN 0.257 nan 8.250 nan 0.000 0.440 357 D N 0.243 120.588 120.400 -0.093 0.000 2.117 357 D HA -0.112 4.529 4.640 0.002 0.000 0.198 357 D C 1.948 178.141 176.300 -0.179 0.000 0.982 357 D CA 0.836 54.733 54.000 -0.173 0.000 0.828 357 D CB -0.133 40.598 40.800 -0.115 0.000 0.967 357 D HN -0.085 nan 8.370 nan 0.000 0.464 358 V N 1.185 121.027 119.914 -0.119 0.000 2.295 358 V HA -0.224 3.898 4.120 0.002 0.000 0.246 358 V C 2.513 178.512 176.094 -0.158 0.000 1.049 358 V CA 1.162 63.354 62.300 -0.180 0.000 1.024 358 V CB -0.311 31.309 31.823 -0.337 0.000 0.648 358 V HN 0.167 nan 8.190 nan 0.000 0.447 359 I N -1.459 119.051 120.570 -0.099 0.000 2.286 359 I HA -0.268 3.903 4.170 0.002 0.000 0.248 359 I C 2.336 178.452 176.117 -0.002 0.000 1.115 359 I CA 1.748 63.031 61.300 -0.027 0.000 1.392 359 I CB -0.376 37.635 38.000 0.018 0.000 1.065 359 I HN 0.324 nan 8.210 nan 0.000 0.418 360 Y N 1.090 121.303 120.300 -0.145 0.000 2.114 360 Y HA -0.315 4.237 4.550 0.002 0.000 0.284 360 Y C 2.797 178.632 175.900 -0.108 0.000 1.143 360 Y CA 1.869 59.872 58.100 -0.161 0.000 1.135 360 Y CB -0.249 38.046 38.460 -0.276 0.000 0.980 360 Y HN 0.200 nan 8.280 nan 0.000 0.499 361 H N -0.749 118.389 119.070 0.114 0.000 2.421 361 H HA -0.047 4.510 4.556 0.002 0.000 0.298 361 H C 2.285 177.605 175.328 -0.013 0.000 1.087 361 H CA 1.043 57.114 56.048 0.039 0.000 1.330 361 H CB -0.831 28.958 29.762 0.045 0.000 1.388 361 H HN 0.496 nan 8.280 nan 0.000 0.526 362 A N 1.409 124.290 122.820 0.102 0.000 1.898 362 A HA -0.152 4.169 4.320 0.002 0.000 0.216 362 A C 2.334 179.946 177.584 0.046 0.000 1.181 362 A CA 1.361 53.470 52.037 0.120 0.000 0.620 362 A CB -0.213 18.901 19.000 0.190 0.000 0.819 362 A HN 0.319 nan 8.150 nan 0.000 0.442 363 K N -0.226 120.151 120.400 -0.038 0.000 2.097 363 K HA -0.139 4.182 4.320 0.002 0.000 0.206 363 K C 1.908 178.444 176.600 -0.106 0.000 1.049 363 K CA 1.472 57.704 56.287 -0.092 0.000 0.933 363 K CB -0.176 32.223 32.500 -0.168 0.000 0.717 363 K HN 0.604 nan 8.250 nan 0.000 0.442 364 E N 0.766 120.885 120.200 -0.136 0.000 2.077 364 E HA -0.196 4.155 4.350 0.002 0.000 0.193 364 E C 1.972 178.562 176.600 -0.016 0.000 0.989 364 E CA 0.811 57.157 56.400 -0.090 0.000 0.800 364 E CB -0.045 29.630 29.700 -0.043 0.000 0.746 364 E HN 0.089 nan 8.360 nan 0.000 0.452 365 L N 1.250 122.483 121.223 0.016 0.000 2.141 365 L HA -0.190 4.151 4.340 0.002 0.000 0.209 365 L C 2.424 179.311 176.870 0.028 0.000 1.094 365 L CA 1.636 56.496 54.840 0.033 0.000 0.763 365 L CB -0.315 41.782 42.059 0.063 0.000 0.908 365 L HN 0.073 nan 8.230 nan 0.000 0.437 366 Q N -1.175 118.637 119.800 0.021 0.000 2.124 366 Q HA -0.245 4.096 4.340 0.002 0.000 0.202 366 Q C 2.213 178.222 176.000 0.015 0.000 0.977 366 Q CA 1.717 57.529 55.803 0.016 0.000 0.850 366 Q CB -0.162 28.580 28.738 0.006 0.000 0.901 366 Q HN 0.474 nan 8.270 nan 0.000 0.429 367 L N 0.889 122.117 121.223 0.010 0.000 2.083 367 L HA -0.175 4.166 4.340 0.002 0.000 0.209 367 L C 2.148 179.051 176.870 0.056 0.000 1.083 367 L CA 1.648 56.506 54.840 0.030 0.000 0.752 367 L CB -0.247 41.820 42.059 0.014 0.000 0.899 367 L HN 0.198 nan 8.230 nan 0.000 0.433 368 E N -0.480 119.747 120.200 0.046 0.000 2.110 368 E HA -0.192 4.159 4.350 0.002 0.000 0.193 368 E C 2.312 178.943 176.600 0.053 0.000 0.988 368 E CA 1.232 57.669 56.400 0.061 0.000 0.804 368 E CB -0.334 29.391 29.700 0.042 0.000 0.745 368 E HN 0.490 nan 8.360 nan 0.000 0.458 369 L N 0.691 121.934 121.223 0.034 0.000 2.093 369 L HA -0.162 4.179 4.340 0.002 0.000 0.208 369 L C 2.398 179.270 176.870 0.003 0.000 1.085 369 L CA 1.163 56.015 54.840 0.020 0.000 0.755 369 L CB -0.265 41.804 42.059 0.016 0.000 0.904 369 L HN 0.025 nan 8.230 nan 0.000 0.435 370 K N 0.117 120.524 120.400 0.013 0.000 2.209 370 K HA -0.181 4.140 4.320 0.002 0.000 0.204 370 K C 2.046 178.638 176.600 -0.013 0.000 1.048 370 K CA 1.153 57.441 56.287 0.000 0.000 0.940 370 K CB -0.029 32.488 32.500 0.030 0.000 0.729 370 K HN 0.301 nan 8.250 nan 0.000 0.451 371 K N 0.680 121.097 120.400 0.029 0.000 2.103 371 K HA -0.058 4.263 4.320 0.002 0.000 0.204 371 K C 1.889 178.404 176.600 -0.142 0.000 1.052 371 K CA 0.900 57.175 56.287 -0.019 0.000 0.945 371 K CB 0.121 32.688 32.500 0.112 0.000 0.722 371 K HN 0.005 nan 8.250 nan 0.000 0.443 372 K N 1.119 121.480 120.400 -0.064 0.000 2.217 372 K HA -0.105 4.216 4.320 0.002 0.000 0.202 372 K C 1.952 178.402 176.600 -0.250 0.000 1.051 372 K CA 0.741 56.965 56.287 -0.106 0.000 0.952 372 K CB 0.011 32.506 32.500 -0.007 0.000 0.736 372 K HN 0.109 nan 8.250 nan 0.000 0.453 373 K N 1.530 121.816 120.400 -0.189 0.000 2.152 373 K HA -0.087 4.234 4.320 0.002 0.000 0.206 373 K C 2.045 178.446 176.600 -0.332 0.000 1.048 373 K CA 0.739 56.893 56.287 -0.222 0.000 0.933 373 K CB -0.066 32.358 32.500 -0.126 0.000 0.721 373 K HN 0.044 nan 8.250 nan 0.000 0.447 374 L N 0.817 121.817 121.223 -0.371 0.000 2.187 374 L HA -0.231 4.111 4.340 0.002 0.000 0.213 374 L C 2.459 178.951 176.870 -0.631 0.000 1.100 374 L CA 1.204 55.695 54.840 -0.583 0.000 0.765 374 L CB -0.316 41.371 42.059 -0.619 0.000 0.904 374 L HN 0.314 nan 8.230 nan 0.000 0.437 375 Q N -0.360 119.139 119.800 -0.501 0.000 2.061 375 Q HA -0.238 4.103 4.340 0.002 0.000 0.204 375 Q C 2.469 178.179 176.000 -0.483 0.000 0.984 375 Q CA 1.905 57.419 55.803 -0.481 0.000 0.846 375 Q CB -0.315 27.937 28.738 -0.809 0.000 0.902 375 Q HN 0.593 nan 8.270 nan 0.000 0.421 376 A N 1.245 123.688 122.820 -0.629 0.000 1.930 376 A HA -0.213 4.108 4.320 0.002 0.000 0.217 376 A C 1.555 179.077 177.584 -0.104 0.000 1.175 376 A CA 1.694 53.627 52.037 -0.174 0.000 0.627 376 A CB -0.412 18.561 19.000 -0.044 0.000 0.815 376 A HN 0.266 nan 8.150 nan 0.000 0.443 377 D N -0.476 119.770 120.400 -0.257 0.000 2.149 377 D HA -0.126 4.516 4.640 0.002 0.000 0.198 377 D C 1.120 177.335 176.300 -0.141 0.000 0.990 377 D CA 1.020 54.870 54.000 -0.251 0.000 0.839 377 D CB -0.437 40.092 40.800 -0.451 0.000 0.948 377 D HN 0.451 nan 8.370 nan 0.000 0.460 378 F N 1.157 121.062 119.950 -0.074 0.000 2.771 378 F HA 0.035 4.563 4.527 0.002 0.000 0.299 378 F C 1.815 177.608 175.800 -0.011 0.000 1.177 378 F CA -0.065 57.902 58.000 -0.055 0.000 1.450 378 F CB -0.562 38.380 39.000 -0.097 0.000 1.114 378 F HN -0.103 nan 8.300 nan 0.000 0.587 379 N N -0.036 118.760 118.700 0.160 0.000 2.381 379 N HA -0.129 4.612 4.740 0.002 0.000 0.182 379 N C 0.426 175.984 175.510 0.080 0.000 1.025 379 N CA 0.682 53.804 53.050 0.120 0.000 0.888 379 N CB -0.322 38.230 38.487 0.108 0.000 0.965 379 N HN 0.193 nan 8.380 nan 0.000 0.438 380 D N 1.415 121.862 120.400 0.079 0.000 2.325 380 D HA 0.065 4.707 4.640 0.002 0.000 0.251 380 D C -1.597 174.751 176.300 0.081 0.000 1.196 380 D CA -2.016 52.021 54.000 0.063 0.000 0.866 380 D CB 1.425 42.254 40.800 0.049 0.000 1.101 380 D HN 0.069 nan 8.370 nan 0.000 0.476 381 P HA -0.129 nan 4.420 nan 0.000 0.220 381 P C 1.129 178.459 177.300 0.051 0.000 1.148 381 P CA 0.649 63.774 63.100 0.042 0.000 0.803 381 P CB 0.379 32.089 31.700 0.017 0.000 0.782 382 R N -0.043 120.490 120.500 0.055 0.000 2.081 382 R HA -0.100 4.241 4.340 0.002 0.000 0.235 382 R C 2.360 178.718 176.300 0.096 0.000 1.131 382 R CA 1.020 57.157 56.100 0.063 0.000 0.960 382 R CB -1.095 29.237 30.300 0.053 0.000 0.856 382 R HN 0.325 nan 8.270 nan 0.000 0.436 383 Q N 0.949 120.826 119.800 0.129 0.000 2.020 383 Q HA -0.074 4.268 4.340 0.002 0.000 0.202 383 Q C 2.309 178.482 176.000 0.288 0.000 0.982 383 Q CA 1.070 57.002 55.803 0.215 0.000 0.838 383 Q CB -0.341 28.521 28.738 0.206 0.000 0.899 383 Q HN 0.306 nan 8.270 nan 0.000 0.423 384 L N 0.837 122.193 121.223 0.223 0.000 2.012 384 L HA -0.245 4.096 4.340 0.002 0.000 0.210 384 L C 2.379 179.226 176.870 -0.039 0.000 1.073 384 L CA 1.782 56.609 54.840 -0.022 0.000 0.748 384 L CB -0.180 41.850 42.059 -0.048 0.000 0.891 384 L HN 0.195 nan 8.230 nan 0.000 0.431 385 E N 0.075 120.288 120.200 0.021 0.000 2.204 385 E HA -0.248 4.103 4.350 0.002 0.000 0.194 385 E C 1.913 178.548 176.600 0.058 0.000 0.989 385 E CA 1.250 57.664 56.400 0.024 0.000 0.824 385 E CB 0.015 29.734 29.700 0.032 0.000 0.756 385 E HN 0.486 nan 8.360 nan 0.000 0.477 386 E N -0.686 119.569 120.200 0.093 0.000 2.110 386 E HA -0.158 4.193 4.350 0.002 0.000 0.193 386 E C 1.983 178.672 176.600 0.149 0.000 0.988 386 E CA 1.349 57.830 56.400 0.134 0.000 0.804 386 E CB 0.063 29.865 29.700 0.170 0.000 0.745 386 E HN 0.148 nan 8.360 nan 0.000 0.458 387 V N 1.116 121.089 119.914 0.098 0.000 2.358 387 V HA -0.250 3.871 4.120 0.002 0.000 0.246 387 V C 2.172 178.299 176.094 0.056 0.000 1.047 387 V CA 1.448 63.784 62.300 0.059 0.000 1.035 387 V CB -0.319 31.423 31.823 -0.136 0.000 0.658 387 V HN 0.290 nan 8.190 nan 0.000 0.452 388 I N 0.123 120.701 120.570 0.014 0.000 2.226 388 I HA -0.230 3.941 4.170 0.002 0.000 0.245 388 I C 2.257 178.436 176.117 0.105 0.000 1.100 388 I CA 1.587 62.910 61.300 0.039 0.000 1.374 388 I CB -0.453 37.555 38.000 0.013 0.000 1.057 388 I HN 0.327 nan 8.210 nan 0.000 0.413 389 D N 0.551 121.017 120.400 0.111 0.000 2.144 389 D HA -0.129 4.512 4.640 0.002 0.000 0.200 389 D C 2.107 178.512 176.300 0.174 0.000 0.978 389 D CA 1.099 55.178 54.000 0.132 0.000 0.833 389 D CB -0.171 40.698 40.800 0.115 0.000 0.961 389 D HN 0.131 nan 8.370 nan 0.000 0.470 390 L N 0.438 121.790 121.223 0.215 0.000 2.093 390 L HA -0.067 4.275 4.340 0.002 0.000 0.208 390 L C 2.439 179.521 176.870 0.355 0.000 1.085 390 L CA 0.969 55.985 54.840 0.293 0.000 0.755 390 L CB -0.877 41.412 42.059 0.384 0.000 0.904 390 L HN 0.069 nan 8.230 nan 0.000 0.435 391 L N -0.981 120.417 121.223 0.292 0.000 2.083 391 L HA -0.241 4.100 4.340 0.002 0.000 0.209 391 L C 2.416 179.461 176.870 0.291 0.000 1.083 391 L CA 1.117 56.147 54.840 0.317 0.000 0.752 391 L CB -0.345 41.825 42.059 0.187 0.000 0.899 391 L HN 0.299 nan 8.230 nan 0.000 0.433 392 E N -0.680 119.648 120.200 0.214 0.000 2.204 392 E HA -0.187 4.165 4.350 0.002 0.000 0.195 392 E C 2.173 178.878 176.600 0.176 0.000 0.990 392 E CA 0.875 57.396 56.400 0.201 0.000 0.821 392 E CB 0.056 29.886 29.700 0.216 0.000 0.750 392 E HN 0.252 nan 8.360 nan 0.000 0.477 393 V N 0.319 120.333 119.914 0.168 0.000 2.568 393 V HA -0.259 3.863 4.120 0.002 0.000 0.253 393 V C 1.302 177.354 176.094 -0.070 0.000 1.072 393 V CA 1.547 63.875 62.300 0.046 0.000 1.084 393 V CB -0.539 31.284 31.823 0.001 0.000 0.676 393 V HN 0.376 nan 8.190 nan 0.000 0.469 394 Y N -0.921 119.347 120.300 -0.053 0.000 2.632 394 Y HA -0.053 4.499 4.550 0.002 0.000 0.301 394 Y C 2.327 178.123 175.900 -0.173 0.000 1.172 394 Y CA 0.753 58.751 58.100 -0.170 0.000 1.328 394 Y CB -0.389 37.885 38.460 -0.311 0.000 1.016 394 Y HN 0.394 nan 8.280 nan 0.000 0.529 395 H N -0.535 118.598 119.070 0.104 0.000 2.551 395 H HA 0.059 4.616 4.556 0.002 0.000 0.266 395 H C 0.817 176.156 175.328 0.019 0.000 0.964 395 H CA 0.362 56.447 56.048 0.063 0.000 1.180 395 H CB 0.300 30.107 29.762 0.074 0.000 1.408 395 H HN 0.326 nan 8.280 nan 0.000 0.563 396 E N 1.515 121.770 120.200 0.092 0.000 2.405 396 E HA 0.112 4.463 4.350 0.002 0.000 0.253 396 E C 0.477 177.078 176.600 0.001 0.000 1.257 396 E CA -0.280 56.141 56.400 0.035 0.000 0.960 396 E CB 1.305 31.003 29.700 -0.002 0.000 1.077 396 E HN 0.192 nan 8.360 nan 0.000 0.512 397 K N 0.919 121.317 120.400 -0.004 0.000 2.219 397 K HA 0.015 4.336 4.320 0.002 0.000 0.258 397 K C 1.218 177.796 176.600 -0.037 0.000 1.008 397 K CA -0.066 56.214 56.287 -0.011 0.000 0.928 397 K CB 0.684 33.182 32.500 -0.003 0.000 0.983 397 K HN 0.356 nan 8.250 nan 0.000 0.484 398 K N 2.073 122.453 120.400 -0.033 0.000 2.074 398 K HA -0.260 4.061 4.320 0.002 0.000 0.209 398 K C 1.580 178.153 176.600 -0.045 0.000 1.048 398 K CA 2.137 58.397 56.287 -0.045 0.000 0.926 398 K CB -0.080 32.405 32.500 -0.024 0.000 0.713 398 K HN 0.673 nan 8.250 nan 0.000 0.444 399 N N 0.360 119.044 118.700 -0.027 0.000 2.166 399 N HA -0.143 4.598 4.740 0.002 0.000 0.186 399 N C 1.736 177.230 175.510 -0.026 0.000 1.019 399 N CA 1.639 54.678 53.050 -0.020 0.000 0.856 399 N CB -0.491 37.991 38.487 -0.009 0.000 0.993 399 N HN 0.075 nan 8.380 nan 0.000 0.426 400 V N 1.770 121.664 119.914 -0.033 0.000 2.453 400 V HA -0.113 4.008 4.120 0.002 0.000 0.247 400 V C 2.608 178.662 176.094 -0.066 0.000 1.048 400 V CA 0.942 63.221 62.300 -0.035 0.000 1.049 400 V CB -0.441 31.366 31.823 -0.026 0.000 0.672 400 V HN 0.197 nan 8.190 nan 0.000 0.457 401 I N 0.058 120.557 120.570 -0.118 0.000 2.163 401 I HA -0.274 3.898 4.170 0.002 0.000 0.243 401 I C 2.581 178.618 176.117 -0.134 0.000 1.085 401 I CA 1.802 62.974 61.300 -0.214 0.000 1.347 401 I CB -0.479 37.313 38.000 -0.347 0.000 1.044 401 I HN 0.364 nan 8.210 nan 0.000 0.408 402 E N 0.442 120.593 120.200 -0.081 0.000 2.097 402 E HA -0.286 4.065 4.350 0.002 0.000 0.196 402 E C 2.180 178.778 176.600 -0.003 0.000 1.000 402 E CA 1.412 57.794 56.400 -0.030 0.000 0.804 402 E CB -0.147 29.544 29.700 -0.015 0.000 0.740 402 E HN 0.409 nan 8.360 nan 0.000 0.454 403 E N 1.350 121.547 120.200 -0.005 0.000 2.047 403 E HA -0.215 4.136 4.350 0.002 0.000 0.191 403 E C 1.761 178.375 176.600 0.025 0.000 0.987 403 E CA 1.179 57.587 56.400 0.013 0.000 0.799 403 E CB 0.095 29.800 29.700 0.009 0.000 0.752 403 E HN 0.151 nan 8.360 nan 0.000 0.449 404 K N 0.036 120.444 120.400 0.013 0.000 2.148 404 K HA -0.065 4.256 4.320 0.002 0.000 0.204 404 K C 2.208 178.865 176.600 0.096 0.000 1.050 404 K CA 0.757 57.069 56.287 0.041 0.000 0.942 404 K CB 0.087 32.600 32.500 0.022 0.000 0.724 404 K HN 0.204 nan 8.250 nan 0.000 0.446 405 I N 1.664 122.291 120.570 0.094 0.000 2.277 405 I HA -0.172 3.999 4.170 0.002 0.000 0.243 405 I C 1.871 178.116 176.117 0.213 0.000 1.094 405 I CA 1.302 62.731 61.300 0.214 0.000 1.393 405 I CB -0.794 37.280 38.000 0.124 0.000 1.078 405 I HN 0.096 nan 8.210 nan 0.000 0.417 406 K N 1.152 121.622 120.400 0.117 0.000 2.218 406 K HA -0.135 4.186 4.320 0.002 0.000 0.205 406 K C 1.971 178.620 176.600 0.082 0.000 1.046 406 K CA 1.529 57.874 56.287 0.098 0.000 0.933 406 K CB -0.182 32.357 32.500 0.064 0.000 0.728 406 K HN 0.292 nan 8.250 nan 0.000 0.454 407 A N 0.978 123.841 122.820 0.071 0.000 2.119 407 A HA -0.034 4.287 4.320 0.002 0.000 0.216 407 A C 1.723 179.308 177.584 0.001 0.000 1.152 407 A CA 0.759 52.819 52.037 0.038 0.000 0.708 407 A CB 0.006 19.026 19.000 0.033 0.000 0.805 407 A HN 0.197 nan 8.150 nan 0.000 0.460 408 R N -2.771 117.731 120.500 0.004 0.000 2.419 408 R HA 0.379 4.721 4.340 0.002 0.000 0.235 408 R C -1.001 174.991 176.300 -0.513 0.000 0.899 408 R CA 0.020 55.988 56.100 -0.220 0.000 1.048 408 R CB 0.605 30.767 30.300 -0.231 0.000 1.182 408 R HN 0.405 nan 8.270 nan 0.000 0.544 409 F N -1.094 118.847 119.950 -0.015 0.000 2.613 409 F HA 0.376 4.905 4.527 0.002 0.000 0.314 409 F C 1.102 176.884 175.800 -0.030 0.000 1.075 409 F CA -1.032 56.935 58.000 -0.055 0.000 0.945 409 F CB 1.393 40.345 39.000 -0.080 0.000 1.310 409 F HN -0.315 nan 8.300 nan 0.000 0.467 410 I N 0.809 121.470 120.570 0.152 0.000 2.333 410 I HA 0.011 4.182 4.170 0.002 0.000 0.246 410 I C 1.337 177.511 176.117 0.095 0.000 1.106 410 I CA 0.533 61.893 61.300 0.099 0.000 1.411 410 I CB -0.274 37.770 38.000 0.072 0.000 1.082 410 I HN 0.600 nan 8.210 nan 0.000 0.420 411 A N 2.250 125.121 122.820 0.084 0.000 2.466 411 A HA 0.106 4.428 4.320 0.002 0.000 0.238 411 A C 0.182 177.785 177.584 0.032 0.000 1.074 411 A CA -0.255 51.801 52.037 0.032 0.000 0.774 411 A CB -0.190 18.785 19.000 -0.042 0.000 1.015 411 A HN 0.551 nan 8.150 nan 0.000 0.498 412 N N -0.125 118.593 118.700 0.030 0.000 2.347 412 N HA 0.169 4.910 4.740 0.002 0.000 0.253 412 N C 0.532 176.065 175.510 0.038 0.000 1.274 412 N CA 0.198 53.273 53.050 0.040 0.000 0.941 412 N CB 0.316 38.830 38.487 0.044 0.000 1.200 412 N HN 0.657 nan 8.380 nan 0.000 0.514 413 K N -0.873 119.567 120.400 0.067 0.000 2.288 413 K HA 0.021 4.342 4.320 0.002 0.000 0.201 413 K C 0.549 177.273 176.600 0.207 0.000 1.048 413 K CA 0.773 57.142 56.287 0.136 0.000 0.956 413 K CB -0.169 32.394 32.500 0.105 0.000 0.746 413 K HN 0.319 nan 8.250 nan 0.000 0.461 414 N N 0.936 119.722 118.700 0.144 0.000 2.216 414 N HA -0.072 4.669 4.740 0.002 0.000 0.183 414 N C 1.489 177.119 175.510 0.199 0.000 1.017 414 N CA 1.665 54.823 53.050 0.180 0.000 0.861 414 N CB -0.499 38.072 38.487 0.140 0.000 0.986 414 N HN 0.250 nan 8.380 nan 0.000 0.428 415 T N 0.775 115.409 114.554 0.133 0.000 2.821 415 T HA -0.012 4.339 4.350 0.002 0.000 0.267 415 T C 2.108 176.701 174.700 -0.179 0.000 1.046 415 T CA 0.640 62.733 62.100 -0.012 0.000 1.139 415 T CB -0.192 68.675 68.868 -0.003 0.000 0.871 415 T HN -0.034 nan 8.240 nan 0.000 0.454 416 V N 0.951 120.786 119.914 -0.132 0.000 2.515 416 V HA -0.074 4.047 4.120 0.002 0.000 0.250 416 V C 1.988 178.042 176.094 -0.067 0.000 1.058 416 V CA 1.187 63.344 62.300 -0.237 0.000 1.064 416 V CB -0.702 30.855 31.823 -0.444 0.000 0.675 416 V HN 0.381 nan 8.190 nan 0.000 0.461 417 F N 1.484 121.288 119.950 -0.243 0.000 2.171 417 F HA -0.156 4.373 4.527 0.002 0.000 0.300 417 F C 2.293 177.897 175.800 -0.328 0.000 1.090 417 F CA 1.813 59.537 58.000 -0.460 0.000 1.293 417 F CB -0.245 38.402 39.000 -0.589 0.000 1.013 417 F HN 0.278 nan 8.300 nan 0.000 0.486 418 E N -1.365 118.645 120.200 -0.316 0.000 2.051 418 E HA -0.297 4.054 4.350 0.002 0.000 0.192 418 E C 2.000 178.277 176.600 -0.538 0.000 0.991 418 E CA 1.573 57.680 56.400 -0.487 0.000 0.799 418 E CB -0.740 28.552 29.700 -0.681 0.000 0.748 418 E HN 0.612 nan 8.360 nan 0.000 0.449 419 W N 1.526 122.323 121.300 -0.839 0.000 2.363 419 W HA -0.117 4.545 4.660 0.002 0.000 0.296 419 W C 1.703 178.241 176.519 0.032 0.000 1.212 419 W CA 1.196 58.271 57.345 -0.450 0.000 1.260 419 W CB -0.098 29.150 29.460 -0.354 0.000 1.131 419 W HN -0.038 nan 8.180 nan 0.000 0.530 420 L N -0.564 120.676 121.223 0.028 0.000 2.072 420 L HA -0.193 4.148 4.340 0.002 0.000 0.205 420 L C 2.462 179.242 176.870 -0.150 0.000 1.079 420 L CA 1.702 56.500 54.840 -0.070 0.000 0.752 420 L CB -1.181 40.877 42.059 -0.002 0.000 0.906 420 L HN -0.132 nan 8.230 nan 0.000 0.436 421 T N -1.272 113.118 114.554 -0.274 0.000 2.746 421 T HA -0.256 4.095 4.350 0.002 0.000 0.267 421 T C 1.340 176.115 174.700 0.126 0.000 1.039 421 T CA 1.547 63.486 62.100 -0.269 0.000 1.142 421 T CB -0.370 68.139 68.868 -0.597 0.000 0.866 421 T HN 0.509 nan 8.240 nan 0.000 0.444 422 W N 2.770 124.091 121.300 0.035 0.000 2.338 422 W HA -0.133 4.528 4.660 0.002 0.000 0.304 422 W C 2.036 178.571 176.519 0.026 0.000 1.212 422 W CA 1.022 58.483 57.345 0.194 0.000 1.264 422 W CB -0.574 29.053 29.460 0.278 0.000 1.142 422 W HN 0.157 nan 8.180 nan 0.000 0.512 423 N N 0.173 118.779 118.700 -0.156 0.000 2.149 423 N HA -0.161 4.581 4.740 0.002 0.000 0.188 423 N C 1.855 177.147 175.510 -0.364 0.000 1.019 423 N CA 1.850 54.652 53.050 -0.412 0.000 0.857 423 N CB -1.076 37.158 38.487 -0.422 0.000 0.997 423 N HN 0.408 nan 8.380 nan 0.000 0.426 424 G N 0.619 109.299 108.800 -0.200 0.000 2.446 424 G HA2 -0.233 3.728 3.960 0.002 0.000 0.217 424 G HA3 -0.233 3.728 3.960 0.002 0.000 0.217 424 G C 1.304 176.077 174.900 -0.211 0.000 1.168 424 G CA 0.440 45.420 45.100 -0.200 0.000 0.771 424 G HN 0.197 nan 8.290 nan 0.000 0.551 425 F N 0.911 120.879 119.950 0.030 0.000 2.126 425 F HA 0.000 4.529 4.527 0.002 0.000 0.299 425 F C 2.660 178.404 175.800 -0.094 0.000 1.096 425 F CA 0.920 58.961 58.000 0.067 0.000 1.255 425 F CB -0.270 38.829 39.000 0.164 0.000 0.997 425 F HN 0.077 nan 8.300 nan 0.000 0.479 426 I N -0.439 119.931 120.570 -0.334 0.000 2.226 426 I HA -0.297 3.874 4.170 0.002 0.000 0.245 426 I C 2.302 178.286 176.117 -0.222 0.000 1.100 426 I CA 1.266 62.169 61.300 -0.662 0.000 1.374 426 I CB -0.515 36.953 38.000 -0.886 0.000 1.057 426 I HN 0.083 nan 8.210 nan 0.000 0.413 427 I N 0.676 121.080 120.570 -0.277 0.000 2.264 427 I HA -0.304 3.868 4.170 0.002 0.000 0.248 427 I C 2.340 178.410 176.117 -0.078 0.000 1.111 427 I CA 1.536 62.669 61.300 -0.278 0.000 1.382 427 I CB -0.223 37.445 38.000 -0.553 0.000 1.060 427 I HN 0.212 nan 8.210 nan 0.000 0.418 428 L N 0.161 121.364 121.223 -0.034 0.000 2.291 428 L HA 0.090 4.432 4.340 0.002 0.000 0.214 428 L C 1.322 178.322 176.870 0.217 0.000 1.120 428 L CA 0.509 55.400 54.840 0.085 0.000 0.799 428 L CB -1.195 40.918 42.059 0.090 0.000 0.925 428 L HN 0.489 nan 8.230 nan 0.000 0.446 429 G N 0.130 109.098 108.800 0.280 0.000 2.782 429 G HA2 -0.321 3.640 3.960 0.002 0.000 0.228 429 G HA3 -0.321 3.640 3.960 0.002 0.000 0.228 429 G C 0.190 175.355 174.900 0.443 0.000 1.372 429 G CA -0.040 45.280 45.100 0.366 0.000 0.862 429 G HN 0.459 nan 8.290 nan 0.000 0.547 430 N N -2.469 116.458 118.700 0.379 0.000 2.972 430 N HA -0.130 4.611 4.740 0.002 0.000 0.225 430 N C 0.734 176.359 175.510 0.191 0.000 0.883 430 N CA 1.756 54.997 53.050 0.317 0.000 1.010 430 N CB -1.129 37.586 38.487 0.379 0.000 1.052 430 N HN 2.047 nan 8.380 nan 0.000 0.598 431 A N 0.409 123.171 122.820 -0.097 0.000 2.351 431 A HA 0.500 4.822 4.320 0.002 0.000 0.257 431 A C 1.339 178.613 177.584 -0.517 0.000 1.087 431 A CA -0.241 51.374 52.037 -0.704 0.000 0.798 431 A CB 0.340 18.406 19.000 -1.558 0.000 1.033 431 A HN 0.241 nan 8.150 nan 0.000 0.488 432 L N -0.264 120.685 121.223 -0.457 0.000 2.179 432 L HA 0.094 4.435 4.340 0.002 0.000 0.208 432 L C 1.101 177.762 176.870 -0.347 0.000 1.096 432 L CA 1.257 55.922 54.840 -0.292 0.000 0.779 432 L CB -0.089 41.847 42.059 -0.205 0.000 0.922 432 L HN 0.885 nan 8.230 nan 0.000 0.443 433 E N -1.051 118.832 120.200 -0.529 0.000 2.335 433 E HA 0.201 4.552 4.350 0.002 0.000 0.280 433 E C -1.685 174.610 176.600 -0.508 0.000 0.918 433 E CA -0.614 55.552 56.400 -0.390 0.000 0.765 433 E CB 1.458 31.027 29.700 -0.218 0.000 1.218 433 E HN -0.025 nan 8.360 nan 0.000 0.425 434 Y N 3.041 123.282 120.300 -0.100 0.000 2.841 434 Y HA 0.261 4.813 4.550 0.002 0.000 0.329 434 Y C 0.209 176.202 175.900 0.155 0.000 1.062 434 Y CA -0.644 57.428 58.100 -0.046 0.000 1.281 434 Y CB 0.934 39.316 38.460 -0.130 0.000 1.147 434 Y HN 0.241 nan 8.280 nan 0.000 0.521 435 K N 4.850 125.302 120.400 0.086 0.000 2.183 435 K HA 0.101 4.422 4.320 0.002 0.000 0.272 435 K C -0.294 176.245 176.600 -0.102 0.000 1.113 435 K CA -0.398 55.883 56.287 -0.010 0.000 0.949 435 K CB -0.023 32.418 32.500 -0.098 0.000 1.365 435 K HN 0.680 nan 8.250 nan 0.000 0.420 436 N N 3.095 121.624 118.700 -0.286 0.000 2.492 436 N HA -0.042 4.700 4.740 0.002 0.000 0.262 436 N C -0.197 174.880 175.510 -0.721 0.000 1.202 436 N CA -0.123 52.354 53.050 -0.955 0.000 0.926 436 N CB 0.766 37.980 38.487 -2.123 0.000 1.078 436 N HN 0.431 nan 8.380 nan 0.000 0.454 437 N N 0.310 118.673 118.700 -0.562 0.000 2.282 437 N HA 0.069 4.810 4.740 0.002 0.000 0.185 437 N C -0.196 175.157 175.510 -0.261 0.000 1.099 437 N CA -0.107 52.753 53.050 -0.317 0.000 0.878 437 N CB 0.023 38.401 38.487 -0.181 0.000 0.993 437 N HN 0.587 nan 8.380 nan 0.000 0.481 438 F N 0.025 119.849 119.950 -0.209 0.000 2.406 438 F HA 0.467 4.995 4.527 0.002 0.000 0.327 438 F C 0.603 176.305 175.800 -0.163 0.000 1.153 438 F CA -1.224 56.663 58.000 -0.188 0.000 1.218 438 F CB 0.098 38.962 39.000 -0.226 0.000 1.215 438 F HN -0.399 nan 8.300 nan 0.000 0.570 439 V N 4.058 124.023 119.914 0.086 0.000 2.546 439 V HA 0.346 4.467 4.120 0.002 0.000 0.284 439 V C 0.492 176.641 176.094 0.091 0.000 1.050 439 V CA -0.690 61.622 62.300 0.019 0.000 0.981 439 V CB 0.844 32.689 31.823 0.037 0.000 0.990 439 V HN 0.781 nan 8.190 nan 0.000 0.474 440 I N 1.181 121.762 120.570 0.019 0.000 2.957 440 I HA 0.804 4.975 4.170 0.002 0.000 0.310 440 I C -0.481 175.677 176.117 0.068 0.000 1.063 440 I CA -0.943 60.401 61.300 0.073 0.000 1.033 440 I CB 2.293 40.334 38.000 0.069 0.000 1.230 440 I HN 0.619 nan 8.210 nan 0.000 0.447 441 D N 1.732 122.186 120.400 0.090 0.000 2.539 441 D HA 0.178 4.820 4.640 0.002 0.000 0.276 441 D C 0.497 176.844 176.300 0.078 0.000 1.206 441 D CA -0.315 53.737 54.000 0.086 0.000 1.081 441 D CB 0.450 41.313 40.800 0.105 0.000 1.142 441 D HN 0.529 nan 8.370 nan 0.000 0.595 442 E N -0.733 119.506 120.200 0.064 0.000 2.472 442 E HA -0.091 4.260 4.350 0.002 0.000 0.200 442 E C 0.285 176.927 176.600 0.070 0.000 1.046 442 E CA 0.587 57.015 56.400 0.046 0.000 0.871 442 E CB 0.030 29.743 29.700 0.022 0.000 0.806 442 E HN 0.576 nan 8.360 nan 0.000 0.533 443 E N 0.079 120.338 120.200 0.098 0.000 2.569 443 E HA 0.076 4.427 4.350 0.002 0.000 0.205 443 E C -0.292 176.422 176.600 0.189 0.000 1.006 443 E CA -0.257 56.212 56.400 0.115 0.000 0.985 443 E CB 0.416 30.173 29.700 0.095 0.000 1.060 443 E HN -0.074 nan 8.360 nan 0.000 0.460 444 L N 0.346 121.697 121.223 0.213 0.000 4.759 444 L HA -0.244 4.098 4.340 0.002 0.000 0.419 444 L C -0.199 176.944 176.870 0.455 0.000 1.093 444 L CA 1.232 56.286 54.840 0.357 0.000 1.037 444 L CB -1.550 40.778 42.059 0.448 0.000 2.095 444 L HN 0.268 nan 8.230 nan 0.000 0.739 445 Q N 1.135 121.068 119.800 0.222 0.000 2.299 445 Q HA 0.448 4.789 4.340 0.002 0.000 0.246 445 Q C -1.940 174.013 176.000 -0.078 0.000 0.935 445 Q CA -1.535 54.267 55.803 -0.001 0.000 0.887 445 Q CB 0.833 29.560 28.738 -0.019 0.000 1.223 445 Q HN 0.126 nan 8.270 nan 0.000 0.439 446 P HA 0.069 nan 4.420 nan 0.000 0.275 446 P C -0.109 177.164 177.300 -0.044 0.000 1.228 446 P CA 0.037 63.038 63.100 -0.166 0.000 0.786 446 P CB 1.176 32.635 31.700 -0.402 0.000 0.927 447 V N 1.562 121.499 119.914 0.038 0.000 3.134 447 V HA 0.187 4.308 4.120 0.002 0.000 0.222 447 V C 0.760 176.887 176.094 0.054 0.000 1.247 447 V CA 1.094 63.423 62.300 0.048 0.000 1.281 447 V CB -0.138 31.724 31.823 0.066 0.000 1.169 447 V HN 0.515 nan 8.190 nan 0.000 0.512 448 T N 0.241 114.842 114.554 0.079 0.000 2.886 448 T HA 0.412 4.763 4.350 0.002 0.000 0.292 448 T C -0.831 173.958 174.700 0.149 0.000 1.012 448 T CA -0.223 61.932 62.100 0.091 0.000 0.982 448 T CB 1.740 70.636 68.868 0.047 0.000 1.018 448 T HN 0.370 nan 8.240 nan 0.000 0.451 449 H N 1.765 120.866 119.070 0.052 0.000 2.836 449 H HA 0.385 4.942 4.556 0.002 0.000 0.368 449 H C 0.499 175.885 175.328 0.096 0.000 1.164 449 H CA 0.158 56.248 56.048 0.070 0.000 1.425 449 H CB 0.661 30.448 29.762 0.042 0.000 1.414 449 H HN 0.847 nan 8.280 nan 0.000 0.614 450 A N 2.670 125.435 122.820 -0.090 0.000 2.520 450 A HA 0.383 4.704 4.320 0.002 0.000 0.235 450 A C 0.376 178.067 177.584 0.179 0.000 1.065 450 A CA 0.190 52.250 52.037 0.038 0.000 0.764 450 A CB -0.366 18.606 19.000 -0.046 0.000 1.002 450 A HN 0.876 nan 8.150 nan 0.000 0.502 451 A N 1.405 124.266 122.820 0.068 0.000 2.520 451 A HA 0.429 4.751 4.320 0.002 0.000 0.235 451 A C 1.641 179.270 177.584 0.074 0.000 1.065 451 A CA 0.300 52.368 52.037 0.051 0.000 0.764 451 A CB -0.359 18.631 19.000 -0.016 0.000 1.002 451 A HN 1.813 nan 8.150 nan 0.000 0.502 452 G N 0.945 109.800 108.800 0.092 0.000 2.479 452 G HA2 -0.240 3.722 3.960 0.002 0.000 0.220 452 G HA3 -0.240 3.722 3.960 0.002 0.000 0.220 452 G C 0.794 175.810 174.900 0.194 0.000 1.115 452 G CA 1.095 46.282 45.100 0.145 0.000 0.757 452 G HN 0.945 nan 8.290 nan 0.000 0.560 453 N N -0.355 118.386 118.700 0.068 0.000 2.251 453 N HA 0.098 4.839 4.740 0.002 0.000 0.217 453 N C 0.202 175.566 175.510 -0.244 0.000 1.124 453 N CA -0.118 52.966 53.050 0.057 0.000 0.843 453 N CB 0.213 38.722 38.487 0.037 0.000 1.024 453 N HN 0.340 nan 8.380 nan 0.000 0.501 454 Q N 0.453 119.977 119.800 -0.460 0.000 2.413 454 Q HA 0.482 4.824 4.340 0.002 0.000 0.276 454 Q C -2.769 172.778 176.000 -0.754 0.000 1.099 454 Q CA -2.067 53.392 55.803 -0.574 0.000 0.814 454 Q CB 2.967 31.558 28.738 -0.245 0.000 1.379 454 Q HN 0.126 nan 8.270 nan 0.000 0.436 455 P HA -0.013 nan 4.420 nan 0.000 0.274 455 P C -0.284 176.983 177.300 -0.055 0.000 1.246 455 P CA -0.062 62.979 63.100 -0.098 0.000 0.795 455 P CB 0.908 32.607 31.700 -0.001 0.000 1.006 456 D N 0.053 120.472 120.400 0.030 0.000 2.178 456 D HA -0.054 4.587 4.640 0.002 0.000 0.201 456 D C 1.016 177.352 176.300 0.060 0.000 0.980 456 D CA 1.753 55.776 54.000 0.038 0.000 0.842 456 D CB 0.116 40.939 40.800 0.037 0.000 0.948 456 D HN 0.490 nan 8.370 nan 0.000 0.472 457 M N -1.461 118.149 119.600 0.016 0.000 2.603 457 M HA 0.434 4.915 4.480 0.002 0.000 0.275 457 M C -1.705 174.541 176.300 -0.090 0.000 1.226 457 M CA -0.798 54.482 55.300 -0.033 0.000 0.870 457 M CB 3.259 35.916 32.600 0.096 0.000 1.716 457 M HN -0.328 nan 8.290 nan 0.000 0.482 458 E N 2.374 122.499 120.200 -0.126 0.000 2.216 458 E HA 0.525 4.876 4.350 0.002 0.000 0.260 458 E C -1.687 174.777 176.600 -0.228 0.000 0.880 458 E CA -0.728 55.574 56.400 -0.163 0.000 0.765 458 E CB 1.531 31.145 29.700 -0.144 0.000 1.174 458 E HN 0.672 nan 8.360 nan 0.000 0.417 459 I N 6.416 126.786 120.570 -0.333 0.000 2.328 459 I HA 0.328 4.500 4.170 0.002 0.000 0.287 459 I C -0.025 175.754 176.117 -0.563 0.000 1.012 459 I CA -0.672 60.325 61.300 -0.505 0.000 1.195 459 I CB 0.663 38.265 38.000 -0.664 0.000 1.350 459 I HN 0.590 nan 8.210 nan 0.000 0.464 460 I N 7.122 127.334 120.570 -0.598 0.000 2.315 460 I HA 0.282 4.453 4.170 0.002 0.000 0.291 460 I C -0.272 175.458 176.117 -0.644 0.000 1.006 460 I CA -0.377 60.639 61.300 -0.473 0.000 1.265 460 I CB 0.694 38.511 38.000 -0.305 0.000 1.387 460 I HN 0.361 nan 8.210 nan 0.000 0.475 461 Y N 3.177 123.182 120.300 -0.492 0.000 2.654 461 Y HA 0.210 4.761 4.550 0.002 0.000 0.328 461 Y C 1.416 177.165 175.900 -0.251 0.000 1.174 461 Y CA -0.635 57.182 58.100 -0.472 0.000 1.293 461 Y CB 0.476 38.403 38.460 -0.889 0.000 1.464 461 Y HN 0.465 nan 8.280 nan 0.000 0.559 462 E N 0.660 120.913 120.200 0.087 0.000 2.077 462 E HA -0.187 4.164 4.350 0.002 0.000 0.193 462 E C 0.185 176.857 176.600 0.121 0.000 0.989 462 E CA 2.029 58.483 56.400 0.090 0.000 0.800 462 E CB -0.042 29.732 29.700 0.124 0.000 0.746 462 E HN 0.698 nan 8.360 nan 0.000 0.452 463 D N -1.512 119.026 120.400 0.231 0.000 2.636 463 D HA 0.126 4.767 4.640 0.002 0.000 0.270 463 D C -0.307 176.243 176.300 0.416 0.000 1.430 463 D CA -0.443 53.713 54.000 0.259 0.000 0.796 463 D CB -0.665 40.278 40.800 0.237 0.000 1.117 463 D HN 0.188 nan 8.370 nan 0.000 0.480 464 F N -1.283 118.757 119.950 0.150 0.000 2.773 464 F HA 0.685 5.213 4.527 0.002 0.000 0.314 464 F C -2.097 173.848 175.800 0.242 0.000 1.160 464 F CA -1.654 56.455 58.000 0.181 0.000 0.920 464 F CB 0.997 40.139 39.000 0.236 0.000 1.323 464 F HN -0.229 nan 8.300 nan 0.000 0.457 465 I N 1.942 122.631 120.570 0.197 0.000 2.619 465 I HA 0.600 4.771 4.170 0.002 0.000 0.292 465 I C -1.414 174.841 176.117 0.229 0.000 1.100 465 I CA -1.251 60.084 61.300 0.058 0.000 1.043 465 I CB 2.341 40.326 38.000 -0.024 0.000 1.239 465 I HN 0.531 nan 8.210 nan 0.000 0.420 466 V N 6.336 126.347 119.914 0.163 0.000 2.444 466 V HA 0.417 4.538 4.120 0.002 0.000 0.294 466 V C 0.014 176.125 176.094 0.028 0.000 1.022 466 V CA -0.600 61.834 62.300 0.223 0.000 0.850 466 V CB 1.806 33.832 31.823 0.338 0.000 0.992 466 V HN 0.465 nan 8.190 nan 0.000 0.426 467 L N 4.037 125.307 121.223 0.078 0.000 2.349 467 L HA 0.602 4.944 4.340 0.002 0.000 0.275 467 L C 0.941 177.845 176.870 0.057 0.000 1.115 467 L CA -0.036 54.820 54.840 0.027 0.000 0.820 467 L CB 0.893 42.997 42.059 0.075 0.000 1.135 467 L HN 0.768 nan 8.230 nan 0.000 0.445 468 G N 2.407 111.211 108.800 0.006 0.000 2.370 468 G HA2 0.458 4.419 3.960 0.002 0.000 0.317 468 G HA3 0.458 4.419 3.960 0.002 0.000 0.317 468 G C -0.564 174.394 174.900 0.096 0.000 1.162 468 G CA -0.336 44.828 45.100 0.107 0.000 0.922 468 G HN 0.534 nan 8.290 nan 0.000 0.454 469 E N 1.800 122.065 120.200 0.109 0.000 2.141 469 E HA 0.331 4.683 4.350 0.002 0.000 0.259 469 E C -0.249 176.354 176.600 0.004 0.000 0.883 469 E CA -0.526 55.961 56.400 0.145 0.000 0.744 469 E CB 2.259 32.133 29.700 0.289 0.000 1.150 469 E HN 0.466 nan 8.360 nan 0.000 0.420 470 V N 0.110 120.010 119.914 -0.023 0.000 2.960 470 V HA 0.901 5.022 4.120 0.002 0.000 0.315 470 V C -0.202 175.930 176.094 0.063 0.000 1.087 470 V CA -0.461 61.771 62.300 -0.112 0.000 0.982 470 V CB 2.191 33.872 31.823 -0.236 0.000 1.039 470 V HN 0.529 nan 8.190 nan 0.000 0.437 471 T N 0.770 115.376 114.554 0.086 0.000 2.885 471 T HA 0.520 4.871 4.350 0.002 0.000 0.322 471 T C 0.444 175.150 174.700 0.010 0.000 1.387 471 T CA 0.360 62.538 62.100 0.129 0.000 1.041 471 T CB 1.839 70.799 68.868 0.153 0.000 1.287 471 T HN 1.376 nan 8.240 nan 0.000 0.491 472 T N -0.128 114.389 114.554 -0.062 0.000 3.069 472 T HA 0.317 4.668 4.350 0.002 0.000 0.252 472 T C 1.065 175.743 174.700 -0.035 0.000 1.053 472 T CA -0.025 61.969 62.100 -0.177 0.000 0.964 472 T CB 0.103 68.867 68.868 -0.173 0.000 1.005 472 T HN 0.467 nan 8.240 nan 0.000 0.532 473 S N 1.557 117.278 115.700 0.034 0.000 2.558 473 S HA 0.227 4.698 4.470 0.002 0.000 0.287 473 S C -0.196 174.456 174.600 0.087 0.000 1.321 473 S CA 0.080 58.325 58.200 0.075 0.000 1.048 473 S CB 0.112 63.389 63.200 0.129 0.000 0.844 473 S HN 0.570 nan 8.310 nan 0.000 0.512 474 K N 1.799 122.248 120.400 0.082 0.000 2.435 474 K HA 0.618 4.939 4.320 0.002 0.000 0.251 474 K C 0.763 177.414 176.600 0.084 0.000 0.954 474 K CA -0.450 55.886 56.287 0.081 0.000 0.820 474 K CB 1.537 34.070 32.500 0.055 0.000 1.292 474 K HN 0.837 nan 8.250 nan 0.000 0.436 475 G N 1.263 110.111 108.800 0.080 0.000 2.634 475 G HA2 -0.434 3.527 3.960 0.002 0.000 0.309 475 G HA3 -0.434 3.527 3.960 0.002 0.000 0.309 475 G C 0.921 175.877 174.900 0.093 0.000 1.265 475 G CA 0.656 45.794 45.100 0.063 0.000 0.998 475 G HN 0.715 nan 8.290 nan 0.000 0.551 476 A N -1.628 121.248 122.820 0.093 0.000 1.969 476 A HA 0.165 4.486 4.320 0.002 0.000 0.218 476 A C 2.651 180.316 177.584 0.136 0.000 1.169 476 A CA 3.294 55.418 52.037 0.145 0.000 0.635 476 A CB -0.931 18.133 19.000 0.108 0.000 0.810 476 A HN 2.068 nan 8.150 nan 0.000 0.445 477 T N -1.394 113.216 114.554 0.092 0.000 2.995 477 T HA -0.180 4.171 4.350 0.002 0.000 0.269 477 T C 1.934 176.697 174.700 0.106 0.000 1.091 477 T CA 1.659 63.804 62.100 0.076 0.000 1.128 477 T CB -0.324 68.577 68.868 0.054 0.000 0.891 477 T HN 0.612 nan 8.240 nan 0.000 0.492 478 Q N -0.937 118.948 119.800 0.141 0.000 2.002 478 Q HA -0.132 4.209 4.340 0.002 0.000 0.204 478 Q C 1.993 178.125 176.000 0.221 0.000 0.988 478 Q CA 1.836 57.755 55.803 0.193 0.000 0.843 478 Q CB -0.427 28.440 28.738 0.216 0.000 0.908 478 Q HN 0.558 nan 8.270 nan 0.000 0.420 479 F N 2.077 122.032 119.950 0.009 0.000 2.065 479 F HA -0.284 4.244 4.527 0.002 0.000 0.298 479 F C 2.266 178.046 175.800 -0.032 0.000 1.112 479 F CA 2.126 60.094 58.000 -0.053 0.000 1.212 479 F CB -0.791 38.171 39.000 -0.063 0.000 0.975 479 F HN 0.100 nan 8.300 nan 0.000 0.476 480 K N 0.023 120.415 120.400 -0.014 0.000 2.049 480 K HA -0.318 4.003 4.320 0.002 0.000 0.219 480 K C 2.324 178.894 176.600 -0.050 0.000 1.056 480 K CA 2.543 58.771 56.287 -0.099 0.000 0.946 480 K CB -0.693 31.795 32.500 -0.019 0.000 0.723 480 K HN 0.406 nan 8.250 nan 0.000 0.453 481 M N -0.168 119.453 119.600 0.035 0.000 2.200 481 M HA -0.095 4.386 4.480 0.002 0.000 0.265 481 M C 1.343 177.697 176.300 0.089 0.000 1.066 481 M CA 1.436 56.775 55.300 0.064 0.000 1.127 481 M CB 0.314 32.977 32.600 0.106 0.000 1.379 481 M HN 0.146 nan 8.290 nan 0.000 0.420 482 E N -1.627 118.649 120.200 0.128 0.000 2.434 482 E HA 0.136 4.487 4.350 0.002 0.000 0.207 482 E C 1.921 178.599 176.600 0.129 0.000 0.929 482 E CA 0.276 56.790 56.400 0.190 0.000 1.001 482 E CB 0.065 29.991 29.700 0.377 0.000 1.016 482 E HN 0.277 nan 8.360 nan 0.000 0.502 483 S N 1.647 117.375 115.700 0.047 0.000 2.351 483 S HA -0.187 4.284 4.470 0.002 0.000 0.220 483 S C 1.822 176.410 174.600 -0.019 0.000 1.035 483 S CA 1.614 59.820 58.200 0.009 0.000 1.031 483 S CB -0.038 63.146 63.200 -0.026 0.000 0.928 483 S HN 0.306 nan 8.310 nan 0.000 0.433 484 E N 1.050 121.205 120.200 -0.075 0.000 2.028 484 E HA -0.070 4.281 4.350 0.002 0.000 0.190 484 E C -0.901 175.611 176.600 -0.147 0.000 0.984 484 E CA 1.160 57.499 56.400 -0.101 0.000 0.800 484 E CB -1.145 28.511 29.700 -0.074 0.000 0.758 484 E HN 0.302 nan 8.360 nan 0.000 0.448 485 P HA -0.119 nan 4.420 nan 0.000 0.215 485 P C 1.827 178.761 177.300 -0.610 0.000 1.153 485 P CA 1.147 63.999 63.100 -0.412 0.000 0.853 485 P CB -0.043 31.499 31.700 -0.263 0.000 0.788 486 V N 0.091 119.851 119.914 -0.256 0.000 2.255 486 V HA -0.270 3.851 4.120 0.002 0.000 0.247 486 V C 2.583 178.558 176.094 -0.197 0.000 1.051 486 V CA 2.814 65.006 62.300 -0.180 0.000 1.018 486 V CB -2.146 29.579 31.823 -0.162 0.000 0.641 486 V HN 0.298 nan 8.190 nan 0.000 0.445 487 T N -1.013 113.400 114.554 -0.235 0.000 2.867 487 T HA -0.241 4.111 4.350 0.002 0.000 0.268 487 T C 1.936 176.592 174.700 -0.074 0.000 1.057 487 T CA 1.522 63.461 62.100 -0.268 0.000 1.136 487 T CB -0.343 68.083 68.868 -0.737 0.000 0.874 487 T HN 0.452 nan 8.240 nan 0.000 0.466 488 R N 0.442 120.881 120.500 -0.103 0.000 2.075 488 R HA -0.081 4.261 4.340 0.002 0.000 0.232 488 R C 2.374 178.721 176.300 0.078 0.000 1.126 488 R CA 1.436 57.531 56.100 -0.009 0.000 0.963 488 R CB -0.459 29.815 30.300 -0.044 0.000 0.858 488 R HN 0.667 nan 8.270 nan 0.000 0.435 489 H N -1.623 117.472 119.070 0.042 0.000 2.387 489 H HA -0.188 4.369 4.556 0.002 0.000 0.299 489 H C 1.777 177.119 175.328 0.023 0.000 1.090 489 H CA 1.478 57.543 56.048 0.028 0.000 1.332 489 H CB -0.154 29.627 29.762 0.032 0.000 1.386 489 H HN 0.277 nan 8.280 nan 0.000 0.516 490 Y N 1.548 121.883 120.300 0.058 0.000 2.114 490 Y HA -0.236 4.315 4.550 0.002 0.000 0.284 490 Y C 2.186 178.093 175.900 0.012 0.000 1.143 490 Y CA 1.447 59.550 58.100 0.005 0.000 1.135 490 Y CB -0.352 38.077 38.460 -0.053 0.000 0.980 490 Y HN 0.038 nan 8.280 nan 0.000 0.499 491 L N 0.061 121.403 121.223 0.198 0.000 2.093 491 L HA -0.225 4.117 4.340 0.002 0.000 0.208 491 L C 2.064 178.950 176.870 0.027 0.000 1.085 491 L CA 1.117 56.036 54.840 0.131 0.000 0.755 491 L CB -0.644 41.520 42.059 0.174 0.000 0.904 491 L HN 0.258 nan 8.230 nan 0.000 0.435 492 N N 0.286 119.007 118.700 0.036 0.000 2.166 492 N HA -0.192 4.549 4.740 0.002 0.000 0.186 492 N C 1.799 177.280 175.510 -0.048 0.000 1.019 492 N CA 1.106 54.162 53.050 0.009 0.000 0.856 492 N CB -0.146 38.366 38.487 0.042 0.000 0.993 492 N HN 0.187 nan 8.380 nan 0.000 0.426 493 K N 1.605 121.946 120.400 -0.099 0.000 2.025 493 K HA -0.013 4.308 4.320 0.002 0.000 0.207 493 K C 1.857 178.343 176.600 -0.189 0.000 1.049 493 K CA 1.183 57.378 56.287 -0.154 0.000 0.933 493 K CB -0.116 32.257 32.500 -0.211 0.000 0.714 493 K HN 0.005 nan 8.250 nan 0.000 0.438 494 K N 0.594 120.829 120.400 -0.274 0.000 2.074 494 K HA -0.207 4.114 4.320 0.002 0.000 0.209 494 K C 1.926 178.459 176.600 -0.111 0.000 1.048 494 K CA 1.750 57.900 56.287 -0.228 0.000 0.926 494 K CB -0.047 32.309 32.500 -0.240 0.000 0.713 494 K HN 0.073 nan 8.250 nan 0.000 0.444 495 K N 0.434 120.791 120.400 -0.072 0.000 2.032 495 K HA -0.202 4.119 4.320 0.002 0.000 0.209 495 K C 2.127 178.701 176.600 -0.043 0.000 1.048 495 K CA 1.694 57.958 56.287 -0.038 0.000 0.927 495 K CB -0.067 32.423 32.500 -0.017 0.000 0.712 495 K HN 0.273 nan 8.250 nan 0.000 0.441 496 E N 0.699 120.865 120.200 -0.056 0.000 2.072 496 E HA -0.146 4.206 4.350 0.002 0.000 0.191 496 E C 2.059 178.625 176.600 -0.057 0.000 0.985 496 E CA 0.700 57.069 56.400 -0.053 0.000 0.801 496 E CB 0.073 29.737 29.700 -0.060 0.000 0.750 496 E HN 0.217 nan 8.360 nan 0.000 0.452 497 L N 0.709 121.887 121.223 -0.075 0.000 2.046 497 L HA -0.194 4.147 4.340 0.002 0.000 0.208 497 L C 2.320 179.159 176.870 -0.051 0.000 1.077 497 L CA 1.232 56.030 54.840 -0.071 0.000 0.747 497 L CB -0.355 41.648 42.059 -0.094 0.000 0.896 497 L HN 0.153 nan 8.230 nan 0.000 0.432 498 E N 0.091 120.262 120.200 -0.048 0.000 2.072 498 E HA -0.252 4.100 4.350 0.002 0.000 0.191 498 E C 2.083 178.669 176.600 -0.024 0.000 0.985 498 E CA 0.955 57.336 56.400 -0.032 0.000 0.801 498 E CB -0.008 29.675 29.700 -0.028 0.000 0.750 498 E HN 0.227 nan 8.360 nan 0.000 0.452 499 K N 1.340 121.725 120.400 -0.025 0.000 2.097 499 K HA -0.157 4.165 4.320 0.002 0.000 0.206 499 K C 1.844 178.431 176.600 -0.021 0.000 1.049 499 K CA 1.309 57.584 56.287 -0.020 0.000 0.933 499 K CB 0.118 32.606 32.500 -0.020 0.000 0.717 499 K HN 0.046 nan 8.250 nan 0.000 0.442 500 Q N -1.123 118.660 119.800 -0.028 0.000 2.403 500 Q HA 0.136 4.478 4.340 0.002 0.000 0.203 500 Q C 0.534 176.520 176.000 -0.024 0.000 0.932 500 Q CA 0.460 56.247 55.803 -0.028 0.000 0.945 500 Q CB 0.575 29.292 28.738 -0.035 0.000 1.045 500 Q HN 0.519 nan 8.270 nan 0.000 0.511 501 G N 1.020 109.807 108.800 -0.022 0.000 2.198 501 G HA2 -0.254 3.707 3.960 0.002 0.000 0.260 501 G HA3 -0.254 3.707 3.960 0.002 0.000 0.260 501 G C 0.039 174.929 174.900 -0.017 0.000 1.025 501 G CA 0.046 45.136 45.100 -0.016 0.000 0.769 501 G HN 0.236 nan 8.290 nan 0.000 0.507 502 V N 0.829 120.728 119.914 -0.024 0.000 2.408 502 V HA 0.251 4.372 4.120 0.002 0.000 0.267 502 V C 0.959 177.042 176.094 -0.018 0.000 1.047 502 V CA 0.054 62.341 62.300 -0.023 0.000 0.937 502 V CB 1.137 32.939 31.823 -0.036 0.000 0.999 502 V HN 0.514 nan 8.190 nan 0.000 0.472 503 E N 4.675 124.873 120.200 -0.003 0.000 2.422 503 E HA 0.201 4.552 4.350 0.002 0.000 0.267 503 E C -0.414 176.200 176.600 0.023 0.000 1.466 503 E CA -0.169 56.236 56.400 0.008 0.000 1.767 503 E CB 0.052 29.761 29.700 0.016 0.000 1.471 503 E HN 0.597 nan 8.360 nan 0.000 0.446 504 K N 1.512 121.920 120.400 0.015 0.000 2.324 504 K HA 0.230 4.551 4.320 0.002 0.000 0.253 504 K C -0.181 176.428 176.600 0.014 0.000 0.932 504 K CA -0.856 55.461 56.287 0.049 0.000 0.799 504 K CB 1.989 34.525 32.500 0.060 0.000 1.154 504 K HN 0.030 nan 8.250 nan 0.000 0.425 505 E N 1.967 122.189 120.200 0.037 0.000 2.413 505 E HA -0.010 4.341 4.350 0.002 0.000 0.263 505 E C -0.615 175.886 176.600 -0.164 0.000 1.015 505 E CA -0.134 56.197 56.400 -0.114 0.000 0.916 505 E CB 0.705 30.316 29.700 -0.149 0.000 0.947 505 E HN 0.256 nan 8.360 nan 0.000 0.440 506 L N 4.252 125.282 121.223 -0.322 0.000 2.296 506 L HA 0.317 4.658 4.340 0.002 0.000 0.286 506 L C -1.439 175.244 176.870 -0.312 0.000 1.023 506 L CA -0.454 54.243 54.840 -0.238 0.000 0.812 506 L CB 0.511 42.373 42.059 -0.329 0.000 1.223 506 L HN 0.306 nan 8.230 nan 0.000 0.421 507 Y N 3.397 123.815 120.300 0.195 0.000 2.549 507 Y HA 0.622 5.173 4.550 0.002 0.000 0.339 507 Y C -0.136 175.919 175.900 0.257 0.000 1.053 507 Y CA -0.458 57.772 58.100 0.216 0.000 1.105 507 Y CB 1.908 40.462 38.460 0.157 0.000 1.258 507 Y HN 0.671 nan 8.280 nan 0.000 0.478 508 C N 4.056 123.574 119.300 0.362 0.000 2.364 508 C HA 0.628 5.089 4.460 0.002 0.000 0.324 508 C C -0.990 174.111 174.990 0.186 0.000 1.234 508 C CA -0.883 58.283 59.018 0.247 0.000 1.417 508 C CB -0.753 27.106 27.740 0.199 0.000 2.101 508 C HN 0.820 nan 8.230 nan 0.000 0.466 509 L N 5.932 127.285 121.223 0.216 0.000 2.255 509 L HA 0.390 4.732 4.340 0.002 0.000 0.289 509 L C -0.425 176.552 176.870 0.179 0.000 1.046 509 L CA -0.298 54.663 54.840 0.201 0.000 0.816 509 L CB 0.682 42.901 42.059 0.266 0.000 1.197 509 L HN 0.694 nan 8.230 nan 0.000 0.427 510 F N 6.165 126.128 119.950 0.021 0.000 2.390 510 F HA 0.509 5.037 4.527 0.002 0.000 0.361 510 F C -0.275 175.574 175.800 0.082 0.000 1.124 510 F CA -0.417 57.608 58.000 0.042 0.000 1.149 510 F CB 0.510 39.533 39.000 0.038 0.000 1.160 510 F HN 0.209 nan 8.300 nan 0.000 0.501 511 I N 6.092 126.340 120.570 -0.537 0.000 2.406 511 I HA 0.703 4.874 4.170 0.002 0.000 0.290 511 I C -0.546 175.318 176.117 -0.421 0.000 0.999 511 I CA -0.663 60.407 61.300 -0.383 0.000 1.124 511 I CB 1.649 39.395 38.000 -0.424 0.000 1.289 511 I HN 0.730 nan 8.210 nan 0.000 0.441 512 A N 6.748 129.455 122.820 -0.189 0.000 2.539 512 A HA 0.739 5.060 4.320 0.002 0.000 0.296 512 A C -2.461 175.165 177.584 0.070 0.000 1.073 512 A CA -1.460 50.550 52.037 -0.045 0.000 0.700 512 A CB 1.508 20.489 19.000 -0.031 0.000 1.296 512 A HN 0.465 nan 8.150 nan 0.000 0.405 513 P HA -0.120 nan 4.420 nan 0.000 0.216 513 P C 0.138 177.534 177.300 0.159 0.000 1.150 513 P CA 1.472 64.625 63.100 0.088 0.000 0.843 513 P CB 0.404 32.112 31.700 0.014 0.000 0.787 514 E N -0.373 119.903 120.200 0.126 0.000 2.316 514 E HA 0.276 4.627 4.350 0.002 0.000 0.254 514 E C -0.924 175.781 176.600 0.176 0.000 0.902 514 E CA -0.527 55.958 56.400 0.141 0.000 0.801 514 E CB 0.652 30.418 29.700 0.111 0.000 1.270 514 E HN -0.041 nan 8.360 nan 0.000 0.414 515 I N 3.902 124.607 120.570 0.224 0.000 2.416 515 I HA 0.104 4.275 4.170 0.002 0.000 0.288 515 I C 0.433 176.695 176.117 0.242 0.000 1.051 515 I CA -0.424 61.074 61.300 0.330 0.000 1.375 515 I CB 0.697 38.978 38.000 0.467 0.000 1.407 515 I HN 0.507 nan 8.210 nan 0.000 0.516 516 N N 5.889 124.710 118.700 0.202 0.000 2.520 516 N HA -0.012 4.729 4.740 0.002 0.000 0.273 516 N C 1.082 176.594 175.510 0.002 0.000 1.155 516 N CA -0.169 52.919 53.050 0.063 0.000 0.967 516 N CB 0.947 39.451 38.487 0.028 0.000 1.092 516 N HN 0.542 nan 8.380 nan 0.000 0.457 517 K N 3.030 123.345 120.400 -0.143 0.000 2.152 517 K HA -0.204 4.117 4.320 0.002 0.000 0.206 517 K C 0.401 176.781 176.600 -0.367 0.000 1.048 517 K CA 1.364 57.410 56.287 -0.402 0.000 0.933 517 K CB -0.017 31.904 32.500 -0.965 0.000 0.721 517 K HN 0.566 nan 8.250 nan 0.000 0.447 518 N N 0.320 118.749 118.700 -0.452 0.000 2.250 518 N HA -0.063 4.679 4.740 0.002 0.000 0.181 518 N C 1.569 176.625 175.510 -0.758 0.000 1.017 518 N CA 1.506 54.134 53.050 -0.704 0.000 0.866 518 N CB -0.504 37.315 38.487 -1.113 0.000 0.985 518 N HN 0.223 nan 8.380 nan 0.000 0.429 519 T N 0.951 115.161 114.554 -0.573 0.000 2.652 519 T HA -0.124 4.227 4.350 0.002 0.000 0.267 519 T C 1.662 175.958 174.700 -0.674 0.000 1.039 519 T CA 0.878 62.642 62.100 -0.560 0.000 1.153 519 T CB -0.581 68.096 68.868 -0.319 0.000 0.863 519 T HN 0.164 nan 8.240 nan 0.000 0.428 520 F N 2.023 121.756 119.950 -0.362 0.000 2.063 520 F HA -0.195 4.334 4.527 0.002 0.000 0.298 520 F C 2.371 178.125 175.800 -0.077 0.000 1.109 520 F CA 1.784 59.732 58.000 -0.088 0.000 1.212 520 F CB -0.293 38.825 39.000 0.196 0.000 0.973 520 F HN 0.229 nan 8.300 nan 0.000 0.480 521 E N -0.672 119.639 120.200 0.184 0.000 2.150 521 E HA -0.248 4.103 4.350 0.002 0.000 0.193 521 E C 1.996 178.599 176.600 0.004 0.000 0.985 521 E CA 1.168 57.655 56.400 0.144 0.000 0.814 521 E CB -0.229 29.501 29.700 0.049 0.000 0.752 521 E HN 0.413 nan 8.360 nan 0.000 0.466 522 E N 0.327 120.440 120.200 -0.144 0.000 2.110 522 E HA -0.165 4.186 4.350 0.002 0.000 0.193 522 E C 1.418 178.056 176.600 0.064 0.000 0.988 522 E CA 1.062 57.432 56.400 -0.051 0.000 0.804 522 E CB -0.072 29.561 29.700 -0.112 0.000 0.745 522 E HN 0.149 nan 8.360 nan 0.000 0.458 523 F N -0.279 119.633 119.950 -0.063 0.000 2.259 523 F HA -0.039 4.490 4.527 0.002 0.000 0.298 523 F C 2.070 177.829 175.800 -0.068 0.000 1.088 523 F CA 0.731 58.659 58.000 -0.120 0.000 1.358 523 F CB -0.619 38.226 39.000 -0.259 0.000 1.040 523 F HN 0.117 nan 8.300 nan 0.000 0.505 524 M N 0.296 119.935 119.600 0.065 0.000 2.117 524 M HA -0.190 4.291 4.480 0.002 0.000 0.262 524 M C 2.239 178.591 176.300 0.086 0.000 1.065 524 M CA 1.411 56.731 55.300 0.033 0.000 1.114 524 M CB -1.318 31.300 32.600 0.030 0.000 1.361 524 M HN 0.155 nan 8.290 nan 0.000 0.408 525 K N -0.367 120.103 120.400 0.117 0.000 2.057 525 K HA -0.198 4.123 4.320 0.002 0.000 0.207 525 K C 1.954 178.607 176.600 0.088 0.000 1.049 525 K CA 1.504 57.846 56.287 0.092 0.000 0.931 525 K CB -0.232 32.325 32.500 0.095 0.000 0.714 525 K HN 0.142 nan 8.250 nan 0.000 0.440 526 Y N 1.453 121.781 120.300 0.046 0.000 2.242 526 Y HA -0.159 4.392 4.550 0.002 0.000 0.291 526 Y C 2.101 178.003 175.900 0.004 0.000 1.137 526 Y CA 1.474 59.593 58.100 0.032 0.000 1.181 526 Y CB -0.263 38.225 38.460 0.046 0.000 0.989 526 Y HN 0.243 nan 8.280 nan 0.000 0.527 527 N N 0.081 118.868 118.700 0.145 0.000 2.084 527 N HA -0.197 4.544 4.740 0.002 0.000 0.190 527 N C 1.894 177.454 175.510 0.083 0.000 1.030 527 N CA 1.617 54.725 53.050 0.097 0.000 0.849 527 N CB -0.504 38.038 38.487 0.093 0.000 1.012 527 N HN 0.395 nan 8.380 nan 0.000 0.423 528 I N -0.387 120.212 120.570 0.048 0.000 2.852 528 I HA -0.051 4.120 4.170 0.002 0.000 0.264 528 I C 1.364 177.486 176.117 0.008 0.000 1.179 528 I CA 0.447 61.761 61.300 0.024 0.000 1.480 528 I CB 0.354 38.359 38.000 0.009 0.000 1.111 528 I HN -0.127 nan 8.210 nan 0.000 0.441 529 V N 0.254 120.157 119.914 -0.018 0.000 2.575 529 V HA -0.029 4.092 4.120 0.002 0.000 0.242 529 V C 1.635 177.688 176.094 -0.068 0.000 1.045 529 V CA 1.097 63.361 62.300 -0.059 0.000 1.065 529 V CB -0.224 31.526 31.823 -0.122 0.000 0.717 529 V HN 0.411 nan 8.190 nan 0.000 0.467 530 Q N -0.405 119.353 119.800 -0.070 0.000 2.194 530 Q HA 0.212 4.554 4.340 0.002 0.000 0.214 530 Q C 0.297 176.327 176.000 0.049 0.000 0.838 530 Q CA -0.201 55.581 55.803 -0.035 0.000 0.972 530 Q CB 0.160 28.844 28.738 -0.091 0.000 1.131 530 Q HN 0.586 nan 8.270 nan 0.000 0.498 531 N N 2.086 120.819 118.700 0.055 0.000 2.735 531 N HA -0.129 4.612 4.740 0.002 0.000 0.248 531 N C -0.653 174.896 175.510 0.066 0.000 1.083 531 N CA 1.172 54.271 53.050 0.082 0.000 0.703 531 N CB -1.127 37.406 38.487 0.077 0.000 1.005 531 N HN 0.512 nan 8.380 nan 0.000 0.550 532 T N -2.138 112.414 114.554 -0.004 0.000 2.816 532 T HA 0.527 4.878 4.350 0.002 0.000 0.282 532 T C 0.727 175.221 174.700 -0.343 0.000 0.993 532 T CA -0.412 61.482 62.100 -0.343 0.000 0.994 532 T CB 1.224 69.827 68.868 -0.442 0.000 1.025 532 T HN 0.278 nan 8.240 nan 0.000 0.529 533 R N 0.752 120.822 120.500 -0.717 0.000 2.782 533 R HA 0.358 4.700 4.340 0.002 0.000 0.293 533 R C -0.791 175.388 176.300 -0.201 0.000 1.333 533 R CA -0.348 55.564 56.100 -0.313 0.000 1.479 533 R CB -0.031 29.958 30.300 -0.519 0.000 1.306 533 R HN 0.586 nan 8.270 nan 0.000 0.654 534 I N 2.072 122.485 120.570 -0.262 0.000 2.325 534 I HA 0.283 4.454 4.170 0.002 0.000 0.291 534 I C 0.208 176.286 176.117 -0.065 0.000 1.019 534 I CA -0.435 60.727 61.300 -0.231 0.000 1.302 534 I CB 1.057 38.746 38.000 -0.518 0.000 1.401 534 I HN 0.166 nan 8.210 nan 0.000 0.485 535 I N 8.718 129.298 120.570 0.018 0.000 2.354 535 I HA 0.319 4.490 4.170 0.002 0.000 0.286 535 I C -2.422 173.762 176.117 0.111 0.000 1.007 535 I CA -1.939 59.397 61.300 0.059 0.000 1.167 535 I CB 1.290 39.345 38.000 0.091 0.000 1.320 535 I HN 0.274 nan 8.210 nan 0.000 0.458 536 P HA 0.345 nan 4.420 nan 0.000 0.287 536 P C -0.898 176.576 177.300 0.290 0.000 1.294 536 P CA -0.178 63.114 63.100 0.319 0.000 0.776 536 P CB 0.755 32.639 31.700 0.307 0.000 0.889 537 L N 2.562 123.935 121.223 0.250 0.000 2.362 537 L HA 0.384 4.725 4.340 0.002 0.000 0.275 537 L C 0.679 177.653 176.870 0.174 0.000 0.998 537 L CA -0.789 54.162 54.840 0.184 0.000 0.820 537 L CB 2.047 44.188 42.059 0.136 0.000 1.270 537 L HN 0.384 nan 8.230 nan 0.000 0.415 538 S N 2.284 118.092 115.700 0.180 0.000 2.573 538 S HA 0.022 4.494 4.470 0.002 0.000 0.277 538 S C 0.940 175.646 174.600 0.177 0.000 1.346 538 S CA -0.516 57.789 58.200 0.176 0.000 1.034 538 S CB 1.030 64.331 63.200 0.168 0.000 0.879 538 S HN 0.606 nan 8.310 nan 0.000 0.528 539 L N 1.766 123.102 121.223 0.188 0.000 2.127 539 L HA -0.044 4.297 4.340 0.002 0.000 0.211 539 L C 2.421 179.447 176.870 0.260 0.000 1.089 539 L CA 2.054 57.016 54.840 0.204 0.000 0.757 539 L CB -0.937 41.210 42.059 0.147 0.000 0.899 539 L HN 0.967 nan 8.230 nan 0.000 0.434 540 K N -0.899 119.679 120.400 0.296 0.000 2.057 540 K HA -0.215 4.106 4.320 0.002 0.000 0.207 540 K C 2.099 178.787 176.600 0.147 0.000 1.049 540 K CA 1.830 58.269 56.287 0.253 0.000 0.931 540 K CB -0.126 32.484 32.500 0.182 0.000 0.714 540 K HN 0.540 nan 8.250 nan 0.000 0.440 541 Q N -0.564 119.312 119.800 0.128 0.000 2.079 541 Q HA -0.166 4.175 4.340 0.002 0.000 0.200 541 Q C 1.934 177.975 176.000 0.069 0.000 0.974 541 Q CA 1.624 57.470 55.803 0.071 0.000 0.840 541 Q CB -0.159 28.622 28.738 0.072 0.000 0.898 541 Q HN 0.308 nan 8.270 nan 0.000 0.430 542 F N 1.466 121.395 119.950 -0.034 0.000 2.134 542 F HA -0.175 4.353 4.527 0.002 0.000 0.299 542 F C 1.712 177.464 175.800 -0.080 0.000 1.097 542 F CA 1.502 59.443 58.000 -0.097 0.000 1.264 542 F CB -0.201 38.721 39.000 -0.130 0.000 1.001 542 F HN 0.036 nan 8.300 nan 0.000 0.479 543 N N -0.352 118.370 118.700 0.036 0.000 2.289 543 N HA -0.195 4.546 4.740 0.002 0.000 0.184 543 N C 2.007 177.481 175.510 -0.060 0.000 1.016 543 N CA 0.797 53.823 53.050 -0.040 0.000 0.872 543 N CB -0.113 38.439 38.487 0.108 0.000 0.973 543 N HN 0.343 nan 8.380 nan 0.000 0.433 544 M N 0.506 120.088 119.600 -0.031 0.000 2.080 544 M HA -0.181 4.300 4.480 0.002 0.000 0.260 544 M C 1.757 178.056 176.300 -0.002 0.000 1.068 544 M CA 1.365 56.655 55.300 -0.016 0.000 1.109 544 M CB -0.086 32.461 32.600 -0.088 0.000 1.342 544 M HN 0.212 nan 8.290 nan 0.000 0.405 545 L N -0.178 120.973 121.223 -0.120 0.000 2.013 545 L HA -0.271 4.070 4.340 0.002 0.000 0.212 545 L C 2.284 179.080 176.870 -0.123 0.000 1.073 545 L CA 1.297 56.068 54.840 -0.114 0.000 0.753 545 L CB -1.031 40.819 42.059 -0.348 0.000 0.890 545 L HN 0.385 nan 8.230 nan 0.000 0.432 546 L N -0.943 120.114 121.223 -0.276 0.000 2.083 546 L HA -0.209 4.132 4.340 0.002 0.000 0.209 546 L C 2.618 179.440 176.870 -0.081 0.000 1.083 546 L CA 1.312 56.011 54.840 -0.236 0.000 0.752 546 L CB -0.462 41.410 42.059 -0.311 0.000 0.899 546 L HN 0.330 nan 8.230 nan 0.000 0.433 547 M N -1.062 118.549 119.600 0.018 0.000 2.254 547 M HA -0.121 4.360 4.480 0.002 0.000 0.265 547 M C 2.272 178.651 176.300 0.132 0.000 1.066 547 M CA 1.030 56.389 55.300 0.099 0.000 1.123 547 M CB -0.356 32.402 32.600 0.262 0.000 1.388 547 M HN -0.008 nan 8.290 nan 0.000 0.425 548 V N 0.350 120.415 119.914 0.252 0.000 2.343 548 V HA -0.277 3.844 4.120 0.002 0.000 0.247 548 V C 2.421 178.561 176.094 0.077 0.000 1.051 548 V CA 2.111 64.551 62.300 0.233 0.000 1.036 548 V CB -0.688 31.303 31.823 0.281 0.000 0.654 548 V HN 0.475 nan 8.190 nan 0.000 0.451 549 Q N 0.574 120.406 119.800 0.055 0.000 2.119 549 Q HA -0.207 4.134 4.340 0.002 0.000 0.201 549 Q C 2.232 178.227 176.000 -0.009 0.000 0.972 549 Q CA 1.924 57.738 55.803 0.019 0.000 0.847 549 Q CB -0.372 28.366 28.738 0.000 0.000 0.903 549 Q HN 0.581 nan 8.270 nan 0.000 0.433 550 K N -0.053 120.330 120.400 -0.028 0.000 2.057 550 K HA -0.178 4.143 4.320 0.002 0.000 0.207 550 K C 1.828 178.399 176.600 -0.049 0.000 1.049 550 K CA 1.460 57.724 56.287 -0.040 0.000 0.931 550 K CB 0.023 32.492 32.500 -0.050 0.000 0.714 550 K HN 0.123 nan 8.250 nan 0.000 0.440 551 K N 0.445 120.801 120.400 -0.073 0.000 2.103 551 K HA -0.044 4.277 4.320 0.002 0.000 0.204 551 K C 2.134 178.693 176.600 -0.067 0.000 1.052 551 K CA 0.930 57.156 56.287 -0.101 0.000 0.945 551 K CB -0.011 32.383 32.500 -0.177 0.000 0.722 551 K HN 0.131 nan 8.250 nan 0.000 0.443 552 L N 0.686 121.881 121.223 -0.046 0.000 2.046 552 L HA -0.186 4.155 4.340 0.002 0.000 0.208 552 L C 2.279 179.133 176.870 -0.027 0.000 1.077 552 L CA 1.218 56.036 54.840 -0.036 0.000 0.747 552 L CB -0.379 41.664 42.059 -0.027 0.000 0.896 552 L HN 0.170 nan 8.230 nan 0.000 0.432 553 I N -0.334 120.226 120.570 -0.016 0.000 2.394 553 I HA -0.256 3.915 4.170 0.002 0.000 0.251 553 I C 2.351 178.456 176.117 -0.019 0.000 1.136 553 I CA 1.091 62.386 61.300 -0.008 0.000 1.425 553 I CB -0.199 37.810 38.000 0.014 0.000 1.079 553 I HN 0.276 nan 8.210 nan 0.000 0.425 554 E N 0.760 120.943 120.200 -0.028 0.000 2.160 554 E HA -0.223 4.129 4.350 0.002 0.000 0.195 554 E C 1.441 178.021 176.600 -0.034 0.000 0.991 554 E CA 1.047 57.428 56.400 -0.033 0.000 0.810 554 E CB 0.068 29.740 29.700 -0.046 0.000 0.742 554 E HN 0.399 nan 8.360 nan 0.000 0.466 555 K N -0.837 119.541 120.400 -0.036 0.000 2.437 555 K HA 0.135 4.456 4.320 0.002 0.000 0.205 555 K C 0.574 177.156 176.600 -0.031 0.000 1.026 555 K CA 0.357 56.623 56.287 -0.035 0.000 1.153 555 K CB 1.063 33.540 32.500 -0.039 0.000 0.863 555 K HN 0.189 nan 8.250 nan 0.000 0.502 556 G N 2.188 110.970 108.800 -0.031 0.000 2.168 556 G HA2 -0.325 3.636 3.960 0.002 0.000 0.257 556 G HA3 -0.325 3.636 3.960 0.002 0.000 0.257 556 G C -0.027 174.854 174.900 -0.032 0.000 0.997 556 G CA 0.459 45.539 45.100 -0.035 0.000 0.708 556 G HN 0.312 nan 8.290 nan 0.000 0.520 557 R N -0.699 119.785 120.500 -0.026 0.000 2.944 557 R HA 0.908 5.249 4.340 0.002 0.000 0.233 557 R C 0.541 176.837 176.300 -0.007 0.000 1.346 557 R CA -0.570 55.518 56.100 -0.020 0.000 1.082 557 R CB 1.158 31.443 30.300 -0.024 0.000 1.434 557 R HN 0.559 nan 8.270 nan 0.000 0.510 558 R N -0.440 120.065 120.500 0.007 0.000 2.712 558 R HA 0.324 4.665 4.340 0.002 0.000 0.272 558 R C -1.331 174.997 176.300 0.047 0.000 1.032 558 R CA -0.903 55.217 56.100 0.034 0.000 0.874 558 R CB 0.591 30.927 30.300 0.061 0.000 1.256 558 R HN 0.366 nan 8.270 nan 0.000 0.468 559 L N 1.922 123.189 121.223 0.075 0.000 2.461 559 L HA 0.232 4.573 4.340 0.002 0.000 0.272 559 L C 0.755 177.705 176.870 0.134 0.000 1.197 559 L CA -0.162 54.738 54.840 0.099 0.000 0.836 559 L CB 0.926 43.083 42.059 0.164 0.000 1.105 559 L HN 0.876 nan 8.230 nan 0.000 0.477 560 S N 0.095 115.878 115.700 0.140 0.000 2.713 560 S HA 0.190 4.661 4.470 0.002 0.000 0.283 560 S C 0.952 175.670 174.600 0.197 0.000 1.161 560 S CA -0.207 58.093 58.200 0.167 0.000 0.999 560 S CB 1.666 64.969 63.200 0.172 0.000 1.039 560 S HN 0.604 nan 8.310 nan 0.000 0.548 561 S N -0.228 115.605 115.700 0.221 0.000 2.370 561 S HA -0.186 4.285 4.470 0.002 0.000 0.226 561 S C 1.630 176.348 174.600 0.197 0.000 1.033 561 S CA 1.677 60.027 58.200 0.249 0.000 1.011 561 S CB -1.040 62.330 63.200 0.283 0.000 0.852 561 S HN 0.788 nan 8.310 nan 0.000 0.457 562 Y N 2.325 122.685 120.300 0.100 0.000 2.128 562 Y HA -0.149 4.402 4.550 0.002 0.000 0.284 562 Y C 1.974 177.897 175.900 0.038 0.000 1.154 562 Y CA 2.195 60.320 58.100 0.042 0.000 1.149 562 Y CB -0.820 37.661 38.460 0.036 0.000 0.976 562 Y HN 0.249 nan 8.280 nan 0.000 0.505 563 D N 0.500 120.840 120.400 -0.099 0.000 2.133 563 D HA -0.227 4.415 4.640 0.002 0.000 0.195 563 D C 2.266 178.598 176.300 0.052 0.000 0.997 563 D CA 2.128 56.092 54.000 -0.060 0.000 0.840 563 D CB -0.290 40.586 40.800 0.127 0.000 0.947 563 D HN 0.507 nan 8.370 nan 0.000 0.452 564 I N 0.560 121.124 120.570 -0.011 0.000 2.286 564 I HA -0.188 3.984 4.170 0.002 0.000 0.245 564 I C 2.468 178.329 176.117 -0.427 0.000 1.104 564 I CA 0.685 61.927 61.300 -0.096 0.000 1.397 564 I CB -0.115 37.885 38.000 -0.001 0.000 1.072 564 I HN -0.084 nan 8.210 nan 0.000 0.417 565 K N 1.296 121.282 120.400 -0.690 0.000 2.044 565 K HA -0.294 4.027 4.320 0.002 0.000 0.210 565 K C 1.989 178.140 176.600 -0.748 0.000 1.049 565 K CA 2.295 57.855 56.287 -1.212 0.000 0.927 565 K CB -0.181 31.721 32.500 -0.996 0.000 0.713 565 K HN 0.168 nan 8.250 nan 0.000 0.443 566 N N 0.502 118.834 118.700 -0.614 0.000 2.188 566 N HA -0.167 4.574 4.740 0.002 0.000 0.184 566 N C 1.704 177.040 175.510 -0.291 0.000 1.018 566 N CA 0.943 53.736 53.050 -0.429 0.000 0.858 566 N CB -0.181 37.967 38.487 -0.565 0.000 0.989 566 N HN 0.210 nan 8.380 nan 0.000 0.426 567 L N 0.241 121.242 121.223 -0.369 0.000 2.017 567 L HA -0.043 4.298 4.340 0.002 0.000 0.208 567 L C 2.029 178.617 176.870 -0.469 0.000 1.073 567 L CA 1.629 56.103 54.840 -0.609 0.000 0.745 567 L CB -0.644 40.727 42.059 -1.147 0.000 0.894 567 L HN 0.207 nan 8.230 nan 0.000 0.432 568 M N -1.480 117.791 119.600 -0.549 0.000 2.117 568 M HA -0.141 4.340 4.480 0.002 0.000 0.262 568 M C 2.292 178.254 176.300 -0.563 0.000 1.065 568 M CA 1.462 56.370 55.300 -0.655 0.000 1.114 568 M CB -1.300 30.657 32.600 -1.073 0.000 1.361 568 M HN 0.161 nan 8.290 nan 0.000 0.408 569 V N 0.133 119.765 119.914 -0.470 0.000 2.295 569 V HA -0.227 3.894 4.120 0.002 0.000 0.246 569 V C 2.506 178.611 176.094 0.019 0.000 1.049 569 V CA 1.933 64.180 62.300 -0.087 0.000 1.024 569 V CB -0.925 30.878 31.823 -0.034 0.000 0.648 569 V HN 0.433 nan 8.190 nan 0.000 0.447 570 S N 0.253 115.911 115.700 -0.070 0.000 2.359 570 S HA -0.150 4.321 4.470 0.002 0.000 0.224 570 S C 1.918 176.500 174.600 -0.029 0.000 1.035 570 S CA 1.622 59.804 58.200 -0.031 0.000 1.018 570 S CB -0.410 62.771 63.200 -0.031 0.000 0.876 570 S HN 0.462 nan 8.310 nan 0.000 0.448 571 L N -0.051 121.134 121.223 -0.063 0.000 2.056 571 L HA -0.119 4.222 4.340 0.002 0.000 0.207 571 L C 2.401 179.293 176.870 0.037 0.000 1.078 571 L CA 1.496 56.318 54.840 -0.030 0.000 0.749 571 L CB -0.689 41.330 42.059 -0.066 0.000 0.901 571 L HN 0.315 nan 8.230 nan 0.000 0.433 572 Y N 1.213 121.501 120.300 -0.020 0.000 2.081 572 Y HA -0.294 4.257 4.550 0.002 0.000 0.280 572 Y C 2.752 178.676 175.900 0.041 0.000 1.163 572 Y CA 1.544 59.680 58.100 0.060 0.000 1.135 572 Y CB -0.271 38.318 38.460 0.214 0.000 0.970 572 Y HN -0.025 nan 8.280 nan 0.000 0.498 573 R N -0.025 120.337 120.500 -0.231 0.000 2.091 573 R HA -0.138 4.203 4.340 0.002 0.000 0.238 573 R C 2.254 178.418 176.300 -0.227 0.000 1.136 573 R CA 1.801 57.709 56.100 -0.319 0.000 0.959 573 R CB -1.678 28.559 30.300 -0.106 0.000 0.856 573 R HN 0.424 nan 8.270 nan 0.000 0.437 574 T N 0.600 115.082 114.554 -0.119 0.000 2.759 574 T HA -0.157 4.194 4.350 0.002 0.000 0.269 574 T C 1.854 176.507 174.700 -0.079 0.000 1.042 574 T CA 2.109 64.166 62.100 -0.072 0.000 1.140 574 T CB -0.439 68.413 68.868 -0.027 0.000 0.864 574 T HN 0.582 nan 8.240 nan 0.000 0.455 575 T N 1.449 115.942 114.554 -0.101 0.000 2.833 575 T HA -0.062 4.289 4.350 0.002 0.000 0.269 575 T C 1.920 176.559 174.700 -0.101 0.000 1.054 575 T CA 1.326 63.380 62.100 -0.077 0.000 1.135 575 T CB -0.704 68.131 68.868 -0.054 0.000 0.869 575 T HN 0.697 nan 8.240 nan 0.000 0.466 576 I N -2.466 117.985 120.570 -0.199 0.000 4.070 576 I HA 0.451 4.623 4.170 0.002 0.000 0.328 576 I C 1.895 177.944 176.117 -0.112 0.000 1.298 576 I CA -0.126 61.079 61.300 -0.159 0.000 1.173 576 I CB 0.008 37.864 38.000 -0.241 0.000 1.051 576 I HN 0.056 nan 8.210 nan 0.000 0.409 577 E N 0.661 120.795 120.200 -0.111 0.000 2.307 577 E HA 0.094 4.445 4.350 0.002 0.000 0.195 577 E C 0.832 177.410 176.600 -0.038 0.000 0.975 577 E CA -0.055 56.305 56.400 -0.068 0.000 0.878 577 E CB 0.433 30.092 29.700 -0.068 0.000 0.845 577 E HN 0.512 nan 8.360 nan 0.000 0.488 578 C N 2.659 121.939 119.300 -0.033 0.000 2.703 578 C HA 0.003 4.464 4.460 0.002 0.000 0.411 578 C C 0.386 175.376 174.990 -0.001 0.000 1.290 578 C CA -0.422 58.589 59.018 -0.012 0.000 2.054 578 C CB -0.272 27.468 27.740 -0.001 0.000 2.732 578 C HN 0.277 nan 8.230 nan 0.000 0.650 579 E N 3.109 123.311 120.200 0.003 0.000 2.568 579 E HA 0.026 4.378 4.350 0.002 0.000 0.262 579 E C 0.080 176.694 176.600 0.024 0.000 0.961 579 E CA 0.578 56.984 56.400 0.010 0.000 0.945 579 E CB 0.232 29.936 29.700 0.008 0.000 0.924 579 E HN 0.354 nan 8.360 nan 0.000 0.467 580 R N 3.570 124.086 120.500 0.027 0.000 3.688 580 R HA 0.131 4.473 4.340 0.002 0.000 0.194 580 R C -0.307 176.026 176.300 0.056 0.000 1.677 580 R CA 0.162 56.288 56.100 0.043 0.000 1.351 580 R CB -0.671 29.649 30.300 0.033 0.000 1.338 580 R HN 0.309 nan 8.270 nan 0.000 0.731 581 K N 1.280 121.721 120.400 0.068 0.000 2.616 581 K HA 0.009 4.330 4.320 0.002 0.000 0.255 581 K C 0.128 176.788 176.600 0.100 0.000 0.995 581 K CA -0.536 55.800 56.287 0.082 0.000 0.860 581 K CB 1.344 33.873 32.500 0.049 0.000 1.264 581 K HN 0.123 nan 8.250 nan 0.000 0.451 582 Y N 3.248 123.560 120.300 0.019 0.000 2.038 582 Y HA -0.407 4.145 4.550 0.002 0.000 0.266 582 Y C 1.838 177.683 175.900 -0.093 0.000 1.220 582 Y CA 3.178 61.269 58.100 -0.017 0.000 1.107 582 Y CB -0.501 37.917 38.460 -0.070 0.000 0.932 582 Y HN 0.696 nan 8.280 nan 0.000 0.500 583 T N -0.355 114.122 114.554 -0.127 0.000 2.833 583 T HA -0.195 4.156 4.350 0.002 0.000 0.269 583 T C 1.634 176.211 174.700 -0.205 0.000 1.054 583 T CA 1.424 63.380 62.100 -0.241 0.000 1.135 583 T CB -0.259 68.586 68.868 -0.037 0.000 0.869 583 T HN 0.389 nan 8.240 nan 0.000 0.466 584 Q N 0.850 120.586 119.800 -0.106 0.000 2.062 584 Q HA 0.188 4.529 4.340 0.002 0.000 0.196 584 Q C 2.563 178.526 176.000 -0.062 0.000 0.967 584 Q CA 0.927 56.692 55.803 -0.064 0.000 0.832 584 Q CB -0.460 28.267 28.738 -0.019 0.000 0.899 584 Q HN 0.565 nan 8.270 nan 0.000 0.442 585 I N 0.952 121.500 120.570 -0.036 0.000 2.286 585 I HA -0.271 3.900 4.170 0.002 0.000 0.248 585 I C 2.533 178.674 176.117 0.039 0.000 1.115 585 I CA 1.165 62.498 61.300 0.055 0.000 1.392 585 I CB -0.308 37.812 38.000 0.200 0.000 1.065 585 I HN 0.178 nan 8.210 nan 0.000 0.418 586 K N 1.652 121.930 120.400 -0.205 0.000 2.057 586 K HA -0.175 4.146 4.320 0.002 0.000 0.207 586 K C 2.197 178.711 176.600 -0.143 0.000 1.049 586 K CA 1.585 57.686 56.287 -0.310 0.000 0.931 586 K CB -0.112 31.892 32.500 -0.826 0.000 0.714 586 K HN 0.285 nan 8.250 nan 0.000 0.440 587 A N 0.495 123.228 122.820 -0.144 0.000 1.968 587 A HA 0.018 4.339 4.320 0.002 0.000 0.217 587 A C 2.296 179.857 177.584 -0.039 0.000 1.169 587 A CA 1.495 53.483 52.037 -0.082 0.000 0.638 587 A CB -0.890 18.063 19.000 -0.078 0.000 0.812 587 A HN 0.552 nan 8.150 nan 0.000 0.446 588 G N -0.036 108.749 108.800 -0.025 0.000 2.402 588 G HA2 -0.131 3.830 3.960 0.002 0.000 0.216 588 G HA3 -0.131 3.830 3.960 0.002 0.000 0.216 588 G C 1.518 176.424 174.900 0.009 0.000 1.162 588 G CA 0.977 46.074 45.100 -0.004 0.000 0.777 588 G HN 0.426 nan 8.290 nan 0.000 0.539 589 L N 0.070 121.314 121.223 0.033 0.000 2.083 589 L HA -0.034 4.307 4.340 0.002 0.000 0.209 589 L C 2.766 179.648 176.870 0.020 0.000 1.083 589 L CA 1.252 56.118 54.840 0.043 0.000 0.752 589 L CB -0.222 41.903 42.059 0.110 0.000 0.899 589 L HN 0.189 nan 8.230 nan 0.000 0.433 590 E N 0.515 120.720 120.200 0.007 0.000 2.106 590 E HA -0.247 4.104 4.350 0.002 0.000 0.192 590 E C 1.953 178.551 176.600 -0.005 0.000 0.984 590 E CA 1.320 57.717 56.400 -0.004 0.000 0.806 590 E CB 0.026 29.715 29.700 -0.018 0.000 0.750 590 E HN 0.418 nan 8.360 nan 0.000 0.458 591 E N -0.777 119.421 120.200 -0.004 0.000 2.038 591 E HA -0.184 4.167 4.350 0.002 0.000 0.195 591 E C 1.781 178.390 176.600 0.015 0.000 1.000 591 E CA 1.945 58.346 56.400 0.002 0.000 0.803 591 E CB -0.173 29.526 29.700 -0.001 0.000 0.750 591 E HN 0.257 nan 8.360 nan 0.000 0.448 592 T N 1.643 116.206 114.554 0.014 0.000 2.720 592 T HA -0.201 4.150 4.350 0.002 0.000 0.268 592 T C 1.789 176.516 174.700 0.044 0.000 1.037 592 T CA 1.316 63.431 62.100 0.024 0.000 1.144 592 T CB -0.343 68.526 68.868 0.003 0.000 0.864 592 T HN 0.128 nan 8.240 nan 0.000 0.444 593 L N 2.105 123.339 121.223 0.017 0.000 1.989 593 L HA -0.080 4.262 4.340 0.002 0.000 0.211 593 L C 2.176 179.104 176.870 0.096 0.000 1.071 593 L CA 1.872 56.724 54.840 0.021 0.000 0.749 593 L CB -0.912 41.135 42.059 -0.020 0.000 0.890 593 L HN 0.300 nan 8.230 nan 0.000 0.431 594 N N -0.876 117.851 118.700 0.044 0.000 2.166 594 N HA -0.240 4.501 4.740 0.002 0.000 0.186 594 N C 1.502 177.049 175.510 0.062 0.000 1.019 594 N CA 1.340 54.408 53.050 0.029 0.000 0.856 594 N CB -0.076 38.408 38.487 -0.004 0.000 0.993 594 N HN 0.475 nan 8.380 nan 0.000 0.426 595 N N 0.630 119.375 118.700 0.075 0.000 2.043 595 N HA -0.211 4.530 4.740 0.002 0.000 0.193 595 N C 1.336 176.913 175.510 0.112 0.000 1.037 595 N CA 1.172 54.268 53.050 0.077 0.000 0.851 595 N CB -0.964 37.568 38.487 0.075 0.000 1.027 595 N HN 0.479 nan 8.380 nan 0.000 0.422 596 W N 1.906 123.183 121.300 -0.039 0.000 2.338 596 W HA -0.159 4.502 4.660 0.002 0.000 0.304 596 W C 2.093 178.592 176.519 -0.033 0.000 1.212 596 W CA 1.215 58.534 57.345 -0.044 0.000 1.264 596 W CB -0.378 29.042 29.460 -0.066 0.000 1.142 596 W HN -0.206 nan 8.180 nan 0.000 0.512 597 V N -0.074 119.991 119.914 0.251 0.000 2.295 597 V HA -0.325 3.796 4.120 0.002 0.000 0.246 597 V C 2.098 178.173 176.094 -0.032 0.000 1.049 597 V CA 1.904 64.256 62.300 0.088 0.000 1.024 597 V CB -1.245 30.623 31.823 0.075 0.000 0.648 597 V HN 0.117 nan 8.190 nan 0.000 0.447 598 V N 0.579 120.491 119.914 -0.003 0.000 2.407 598 V HA -0.290 3.831 4.120 0.002 0.000 0.248 598 V C 2.435 178.495 176.094 -0.056 0.000 1.055 598 V CA 2.294 64.588 62.300 -0.009 0.000 1.049 598 V CB -0.694 31.132 31.823 0.004 0.000 0.662 598 V HN 0.723 nan 8.190 nan 0.000 0.455 599 D N 0.078 120.418 120.400 -0.099 0.000 2.228 599 D HA -0.212 4.429 4.640 0.002 0.000 0.203 599 D C 1.791 177.976 176.300 -0.192 0.000 0.988 599 D CA 0.934 54.850 54.000 -0.140 0.000 0.864 599 D CB 0.080 40.774 40.800 -0.176 0.000 0.928 599 D HN 0.282 nan 8.370 nan 0.000 0.469 600 K N 0.758 121.003 120.400 -0.258 0.000 2.486 600 K HA -0.022 4.299 4.320 0.002 0.000 0.194 600 K C 0.237 176.764 176.600 -0.121 0.000 1.033 600 K CA 0.065 56.203 56.287 -0.249 0.000 1.004 600 K CB -0.148 32.147 32.500 -0.342 0.000 0.798 600 K HN 0.299 nan 8.250 nan 0.000 0.495 601 E N 0.226 120.380 120.200 -0.076 0.000 2.228 601 E HA -0.170 4.181 4.350 0.002 0.000 0.213 601 E C -0.709 175.874 176.600 -0.028 0.000 1.282 601 E CA 0.307 56.684 56.400 -0.038 0.000 0.707 601 E CB -1.467 28.207 29.700 -0.043 0.000 1.150 601 E HN 0.074 nan 8.360 nan 0.000 0.362 602 V N -0.738 119.176 119.914 0.000 0.000 2.815 602 V HA 0.536 4.657 4.120 0.002 0.000 0.314 602 V C 0.585 176.665 176.094 -0.023 0.000 1.064 602 V CA -1.346 60.940 62.300 -0.022 0.000 0.952 602 V CB 1.897 33.700 31.823 -0.033 0.000 1.020 602 V HN 0.172 nan 8.190 nan 0.000 0.439 603 R N 1.758 122.188 120.500 -0.117 0.000 2.710 603 R HA 0.325 4.667 4.340 0.002 0.000 0.301 603 R C -1.195 174.979 176.300 -0.210 0.000 1.331 603 R CA 0.155 56.179 56.100 -0.126 0.000 0.996 603 R CB -1.786 28.428 30.300 -0.143 0.000 1.075 603 R HN 0.615 nan 8.270 nan 0.000 0.500 604 F N 0.000 119.943 119.950 -0.011 0.000 2.286 604 F HA 0.000 4.528 4.527 0.002 0.000 0.279 604 F CA 0.000 57.998 58.000 -0.004 0.000 1.383 604 F CB 0.000 38.999 39.000 -0.001 0.000 1.145 604 F HN 0.000 nan 8.300 nan 0.000 0.574