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 3n75_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNVIAILNHM GVYFKEEPIR ELHRALERLN FQIVYPNDRD DLLKLIENNA DATA SEQUENCE RLCGVIFDWD KYNLELCEEI SKMNENLPLY AFANTYSTLD VSLNDLRLQI DATA SEQUENCE SFFEYALGAA EDIANKIKQT TDEYINTILP PLTKALFKYV REGKYTFCTP DATA SEQUENCE GHMGGTAFQK SPVGSLFYDF FGPNTMKSDI SISVSELGSL LDHSGPHKEA DATA SEQUENCE EQYIARVFNA DRSYMVTNGT STANKIVGMY SAPAGSTILI DRNCHKSLTH DATA SEQUENCE LMMMSDVTPI YFRPTRNAYG ILGGIPQSEF QHATIAKRVK ETPNATWPVH DATA SEQUENCE AVITNSTYDG LLYNTDFIKK TLDVKSIHFD SAWVPYTNFS PIYEGKCGMS DATA SEQUENCE GGRVEGKVIY ETQSTHXLLA AFSQASMIHV KGDVNEETFN EAYMMHTTTS DATA SEQUENCE PHYGIVASTE TAAAMMKGNA GKRLINGSIE RAIKFRKEIK RLRTESDGWF DATA SEQUENCE FDVWQPDHID TTECWPLRSD STWHGFKNID NEHMYLDPIK VTLLTPGMEK DATA SEQUENCE DGTMSDFGIP ASIVAKYLDE HGIVVEKTGP YNLLFLFSIG IDKTKALSLL DATA SEQUENCE RALTDFKRAF DLNLRVKNML PSLYREDPEF YENMRIQELA QNIHKLIVHH DATA SEQUENCE NLPDLMYRAF EVLPTMVMTP YAAFQKELHG MTEEVYLDEM VGRINANMIL DATA SEQUENCE PYPPGVPLVM PGEMITEESR PVLEFLQMLC EIGAHYPGFE TDIHGAYRQA DATA SEQUENCE DGRYTVKVLK E 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 0.000 176.357 176.300 0.095 0.000 1.140 1 M CA 0.000 55.358 55.300 0.096 0.000 0.988 1 M CB 0.000 32.664 32.600 0.107 0.000 1.302 2 N N 1.840 120.601 118.700 0.102 0.000 2.162 2 N HA 0.162 4.902 4.740 -0.001 0.000 0.232 2 N C -1.574 174.094 175.510 0.264 0.000 1.361 2 N CA -0.138 52.981 53.050 0.116 0.000 0.786 2 N CB 0.574 38.985 38.487 -0.126 0.000 1.290 2 N HN 0.277 nan 8.380 nan 0.000 0.505 3 V N 2.319 122.354 119.914 0.202 0.000 2.383 3 V HA 0.455 4.574 4.120 -0.001 0.000 0.275 3 V C -0.093 176.075 176.094 0.123 0.000 1.036 3 V CA -0.485 61.899 62.300 0.140 0.000 0.889 3 V CB 1.348 33.217 31.823 0.076 0.000 0.985 3 V HN 0.135 nan 8.190 nan 0.000 0.459 4 I N 4.172 124.777 120.570 0.058 0.000 2.406 4 I HA 0.586 4.755 4.170 -0.001 0.000 0.290 4 I C 0.440 176.502 176.117 -0.091 0.000 0.999 4 I CA -0.461 60.819 61.300 -0.032 0.000 1.124 4 I CB 1.702 39.602 38.000 -0.166 0.000 1.289 4 I HN 0.652 nan 8.210 nan 0.000 0.441 5 A N 7.819 130.593 122.820 -0.077 0.000 2.301 5 A HA 0.726 5.046 4.320 -0.001 0.000 0.298 5 A C -0.257 177.234 177.584 -0.155 0.000 1.185 5 A CA -0.396 51.561 52.037 -0.133 0.000 0.830 5 A CB 0.421 19.369 19.000 -0.087 0.000 1.112 5 A HN 0.654 nan 8.150 nan 0.000 0.508 6 I N 2.871 123.251 120.570 -0.318 0.000 2.339 6 I HA 0.205 4.374 4.170 -0.001 0.000 0.290 6 I C -0.736 175.309 176.117 -0.120 0.000 0.994 6 I CA -0.600 60.560 61.300 -0.233 0.000 1.191 6 I CB 1.669 39.459 38.000 -0.350 0.000 1.343 6 I HN 0.526 nan 8.210 nan 0.000 0.458 7 L N 8.213 129.421 121.223 -0.024 0.000 2.287 7 L HA 0.530 4.869 4.340 -0.001 0.000 0.280 7 L C -0.585 176.344 176.870 0.098 0.000 1.055 7 L CA 0.253 55.067 54.840 -0.044 0.000 0.863 7 L CB -0.632 41.254 42.059 -0.288 0.000 1.245 7 L HN 0.665 nan 8.230 nan 0.000 0.432 8 N N 2.583 121.364 118.700 0.135 0.000 7.486 8 N HA -0.063 4.677 4.740 -0.001 0.000 0.083 8 N C -1.414 174.078 175.510 -0.029 0.000 0.890 8 N CA -0.675 52.455 53.050 0.133 0.000 1.265 8 N CB 0.248 38.897 38.487 0.270 0.000 1.233 8 N HN 0.589 nan 8.380 nan 0.000 1.224 9 H N 2.886 122.003 119.070 0.078 0.000 2.864 9 H HA 0.223 4.779 4.556 -0.001 0.000 0.281 9 H C 0.891 176.224 175.328 0.007 0.000 1.093 9 H CA 0.064 56.124 56.048 0.021 0.000 1.453 9 H CB 0.722 30.491 29.762 0.012 0.000 1.462 9 H HN 0.362 nan 8.280 nan 0.000 0.480 10 M N 1.821 121.452 119.600 0.052 0.000 2.421 10 M HA 0.197 4.677 4.480 -0.001 0.000 0.258 10 M C 1.610 177.893 176.300 -0.030 0.000 1.122 10 M CA 0.739 56.026 55.300 -0.021 0.000 1.078 10 M CB 0.067 32.581 32.600 -0.143 0.000 1.380 10 M HN 0.946 nan 8.290 nan 0.000 0.499 11 G N 1.760 110.561 108.800 0.002 0.000 2.162 11 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.260 11 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.260 11 G C 0.075 174.978 174.900 0.004 0.000 0.976 11 G CA 0.369 45.477 45.100 0.014 0.000 0.655 11 G HN 0.520 nan 8.290 nan 0.000 0.533 12 V N -3.649 116.227 119.914 -0.063 0.000 2.623 12 V HA 0.671 4.791 4.120 -0.001 0.000 0.304 12 V C 0.881 176.933 176.094 -0.070 0.000 1.054 12 V CA -0.659 61.620 62.300 -0.035 0.000 0.882 12 V CB 1.437 33.200 31.823 -0.100 0.000 1.002 12 V HN 0.298 nan 8.190 nan 0.000 0.424 13 Y N 4.766 125.043 120.300 -0.040 0.000 2.256 13 Y HA -0.208 4.342 4.550 -0.001 0.000 0.288 13 Y C 1.921 177.799 175.900 -0.037 0.000 1.155 13 Y CA 2.684 60.766 58.100 -0.031 0.000 1.203 13 Y CB -0.092 38.386 38.460 0.029 0.000 0.980 13 Y HN 0.811 nan 8.280 nan 0.000 0.530 14 F N -0.331 119.684 119.950 0.108 0.000 2.333 14 F HA -0.045 4.482 4.527 -0.001 0.000 0.300 14 F C 1.670 177.390 175.800 -0.133 0.000 1.083 14 F CA 1.291 59.312 58.000 0.036 0.000 1.395 14 F CB -0.505 38.523 39.000 0.045 0.000 1.056 14 F HN -0.142 nan 8.300 nan 0.000 0.529 15 K N 0.455 120.260 120.400 -0.992 0.000 2.214 15 K HA 0.031 4.350 4.320 -0.001 0.000 0.201 15 K C 1.928 178.231 176.600 -0.495 0.000 1.049 15 K CA 0.979 56.610 56.287 -1.093 0.000 0.978 15 K CB -0.150 31.435 32.500 -1.525 0.000 0.842 15 K HN 0.299 nan 8.250 nan 0.000 0.474 16 E N 1.137 121.082 120.200 -0.425 0.000 2.106 16 E HA -0.211 4.139 4.350 -0.001 0.000 0.192 16 E C 1.904 178.297 176.600 -0.345 0.000 0.984 16 E CA 1.125 57.334 56.400 -0.319 0.000 0.806 16 E CB 0.140 29.682 29.700 -0.264 0.000 0.750 16 E HN 0.198 nan 8.360 nan 0.000 0.458 17 E N 0.580 120.469 120.200 -0.518 0.000 2.047 17 E HA -0.107 4.243 4.350 -0.001 0.000 0.191 17 E C -0.891 175.580 176.600 -0.215 0.000 0.987 17 E CA 1.184 57.279 56.400 -0.508 0.000 0.799 17 E CB -0.703 28.445 29.700 -0.919 0.000 0.752 17 E HN 0.089 nan 8.360 nan 0.000 0.449 18 P HA -0.151 nan 4.420 nan 0.000 0.218 18 P C 0.986 178.253 177.300 -0.057 0.000 1.148 18 P CA 1.068 64.163 63.100 -0.008 0.000 0.822 18 P CB 0.025 31.806 31.700 0.135 0.000 0.784 19 I N -0.912 119.592 120.570 -0.110 0.000 2.353 19 I HA -0.122 4.048 4.170 -0.001 0.000 0.248 19 I C 2.328 178.413 176.117 -0.054 0.000 1.119 19 I CA 1.287 62.505 61.300 -0.137 0.000 1.417 19 I CB -1.199 36.707 38.000 -0.157 0.000 1.078 19 I HN -0.008 nan 8.210 nan 0.000 0.421 20 R N 0.743 121.193 120.500 -0.085 0.000 2.083 20 R HA -0.193 4.146 4.340 -0.001 0.000 0.237 20 R C 2.132 178.430 176.300 -0.003 0.000 1.137 20 R CA 1.518 57.578 56.100 -0.066 0.000 0.951 20 R CB -0.239 29.980 30.300 -0.134 0.000 0.851 20 R HN 0.481 nan 8.270 nan 0.000 0.434 21 E N 0.426 120.612 120.200 -0.023 0.000 2.085 21 E HA -0.222 4.127 4.350 -0.001 0.000 0.194 21 E C 1.946 178.553 176.600 0.011 0.000 0.994 21 E CA 1.022 57.423 56.400 0.002 0.000 0.801 21 E CB -0.122 29.575 29.700 -0.005 0.000 0.743 21 E HN 0.110 nan 8.360 nan 0.000 0.453 22 L N 1.045 122.261 121.223 -0.012 0.000 2.056 22 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 22 L C 2.378 179.240 176.870 -0.014 0.000 1.078 22 L CA 1.791 56.602 54.840 -0.047 0.000 0.749 22 L CB -0.674 41.324 42.059 -0.102 0.000 0.901 22 L HN 0.237 nan 8.230 nan 0.000 0.433 23 H N 0.512 119.552 119.070 -0.050 0.000 2.289 23 H HA -0.212 4.343 4.556 -0.001 0.000 0.294 23 H C 2.247 177.579 175.328 0.007 0.000 1.095 23 H CA 2.422 58.469 56.048 -0.002 0.000 1.256 23 H CB 0.093 29.899 29.762 0.075 0.000 1.359 23 H HN 0.351 nan 8.280 nan 0.000 0.487 24 R N 0.098 120.735 120.500 0.228 0.000 2.081 24 R HA -0.054 4.286 4.340 -0.001 0.000 0.235 24 R C 2.709 179.031 176.300 0.037 0.000 1.131 24 R CA 1.044 57.231 56.100 0.146 0.000 0.960 24 R CB -0.376 29.998 30.300 0.123 0.000 0.856 24 R HN 0.352 nan 8.270 nan 0.000 0.436 25 A N 1.366 124.193 122.820 0.013 0.000 1.933 25 A HA -0.118 4.202 4.320 -0.001 0.000 0.218 25 A C 2.204 179.784 177.584 -0.006 0.000 1.175 25 A CA 1.150 53.183 52.037 -0.007 0.000 0.628 25 A CB -0.483 18.497 19.000 -0.033 0.000 0.814 25 A HN 0.169 nan 8.150 nan 0.000 0.444 26 L N -0.819 120.379 121.223 -0.043 0.000 2.093 26 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 26 L C 2.570 179.496 176.870 0.095 0.000 1.085 26 L CA 1.352 56.191 54.840 -0.000 0.000 0.755 26 L CB -0.548 41.410 42.059 -0.170 0.000 0.904 26 L HN 0.463 nan 8.230 nan 0.000 0.435 27 E N 0.054 120.235 120.200 -0.031 0.000 2.110 27 E HA -0.223 4.127 4.350 -0.001 0.000 0.193 27 E C 2.288 178.898 176.600 0.017 0.000 0.988 27 E CA 0.903 57.291 56.400 -0.021 0.000 0.804 27 E CB -0.039 29.616 29.700 -0.076 0.000 0.745 27 E HN 0.421 nan 8.360 nan 0.000 0.458 28 R N 0.340 120.854 120.500 0.024 0.000 2.152 28 R HA -0.044 4.295 4.340 -0.001 0.000 0.232 28 R C 1.874 178.187 176.300 0.022 0.000 1.117 28 R CA 0.695 56.807 56.100 0.021 0.000 0.981 28 R CB -0.059 30.253 30.300 0.020 0.000 0.870 28 R HN 0.174 nan 8.270 nan 0.000 0.451 29 L N 1.111 122.371 121.223 0.062 0.000 2.627 29 L HA 0.097 4.437 4.340 -0.001 0.000 0.232 29 L C -0.221 176.599 176.870 -0.085 0.000 1.150 29 L CA -0.076 54.794 54.840 0.050 0.000 0.917 29 L CB -0.222 41.961 42.059 0.206 0.000 1.104 29 L HN 0.280 nan 8.230 nan 0.000 0.445 30 N N -0.613 118.049 118.700 -0.064 0.000 2.776 30 N HA -0.196 4.544 4.740 -0.001 0.000 0.250 30 N C -0.359 175.010 175.510 -0.235 0.000 1.112 30 N CA 0.854 53.821 53.050 -0.137 0.000 0.733 30 N CB -1.626 36.763 38.487 -0.164 0.000 1.097 30 N HN 0.205 nan 8.380 nan 0.000 0.558 31 F N 1.108 121.025 119.950 -0.056 0.000 2.375 31 F HA 0.255 4.781 4.527 -0.001 0.000 0.333 31 F C 1.424 177.178 175.800 -0.077 0.000 1.104 31 F CA -0.339 57.625 58.000 -0.059 0.000 1.149 31 F CB 0.813 39.769 39.000 -0.074 0.000 1.190 31 F HN -0.088 nan 8.300 nan 0.000 0.533 32 Q N 3.570 123.453 119.800 0.138 0.000 2.296 32 Q HA 0.331 4.670 4.340 -0.001 0.000 0.257 32 Q C -0.984 175.035 176.000 0.032 0.000 0.942 32 Q CA -0.759 55.077 55.803 0.056 0.000 0.939 32 Q CB 0.699 29.465 28.738 0.047 0.000 1.198 32 Q HN 0.408 nan 8.270 nan 0.000 0.429 33 I N 5.225 125.768 120.570 -0.044 0.000 2.395 33 I HA 0.211 4.380 4.170 -0.001 0.000 0.289 33 I C 0.304 176.383 176.117 -0.063 0.000 1.023 33 I CA -0.455 60.779 61.300 -0.110 0.000 1.350 33 I CB 0.337 38.219 38.000 -0.197 0.000 1.409 33 I HN 0.404 nan 8.210 nan 0.000 0.507 34 V N 4.400 124.207 119.914 -0.178 0.000 2.769 34 V HA 0.551 4.670 4.120 -0.001 0.000 0.312 34 V C -1.322 174.598 176.094 -0.291 0.000 1.061 34 V CA -0.779 61.464 62.300 -0.096 0.000 0.931 34 V CB 1.942 33.748 31.823 -0.029 0.000 1.010 34 V HN 0.530 nan 8.190 nan 0.000 0.433 35 Y N 3.989 124.300 120.300 0.019 0.000 2.863 35 Y HA 0.519 5.069 4.550 -0.001 0.000 0.348 35 Y C -2.114 173.782 175.900 -0.006 0.000 1.028 35 Y CA -2.126 55.975 58.100 0.002 0.000 1.213 35 Y CB 1.102 39.560 38.460 -0.003 0.000 1.120 35 Y HN 0.598 nan 8.280 nan 0.000 0.598 36 P HA 0.050 nan 4.420 nan 0.000 0.268 36 P C -0.105 177.228 177.300 0.054 0.000 1.208 36 P CA 0.246 63.364 63.100 0.029 0.000 0.777 36 P CB 1.330 33.007 31.700 -0.037 0.000 0.875 37 N N 0.481 119.212 118.700 0.052 0.000 2.300 37 N HA -0.089 4.650 4.740 -0.001 0.000 0.179 37 N C 0.135 175.687 175.510 0.070 0.000 1.016 37 N CA 0.761 53.854 53.050 0.073 0.000 0.876 37 N CB 0.033 38.556 38.487 0.061 0.000 0.979 37 N HN 0.650 nan 8.380 nan 0.000 0.432 38 D N -2.442 117.974 120.400 0.027 0.000 2.779 38 D HA 0.135 4.774 4.640 -0.001 0.000 0.331 38 D C 0.260 176.529 176.300 -0.052 0.000 1.331 38 D CA -0.753 53.263 54.000 0.027 0.000 0.866 38 D CB 0.726 41.562 40.800 0.061 0.000 1.409 38 D HN -0.388 nan 8.370 nan 0.000 0.486 39 R N -0.204 120.272 120.500 -0.040 0.000 2.094 39 R HA -0.142 4.198 4.340 -0.001 0.000 0.239 39 R C 0.707 176.960 176.300 -0.079 0.000 1.137 39 R CA 2.094 58.136 56.100 -0.097 0.000 0.943 39 R CB -0.805 29.484 30.300 -0.017 0.000 0.850 39 R HN 0.548 nan 8.270 nan 0.000 0.433 40 D N 0.294 120.671 120.400 -0.037 0.000 2.144 40 D HA -0.139 4.500 4.640 -0.001 0.000 0.200 40 D C 1.568 177.849 176.300 -0.032 0.000 0.978 40 D CA 1.025 55.006 54.000 -0.032 0.000 0.833 40 D CB -0.465 40.327 40.800 -0.014 0.000 0.961 40 D HN 0.246 nan 8.370 nan 0.000 0.470 41 D N 0.013 120.398 120.400 -0.027 0.000 2.097 41 D HA -0.132 4.507 4.640 -0.001 0.000 0.195 41 D C 2.081 178.357 176.300 -0.039 0.000 0.989 41 D CA 0.377 54.365 54.000 -0.021 0.000 0.827 41 D CB -0.206 40.590 40.800 -0.006 0.000 0.966 41 D HN 0.105 nan 8.370 nan 0.000 0.456 42 L N 0.574 121.754 121.223 -0.071 0.000 1.989 42 L HA -0.143 4.197 4.340 -0.001 0.000 0.211 42 L C 2.333 179.154 176.870 -0.083 0.000 1.071 42 L CA 1.605 56.388 54.840 -0.096 0.000 0.749 42 L CB -0.771 41.188 42.059 -0.167 0.000 0.890 42 L HN 0.122 nan 8.230 nan 0.000 0.431 43 L N -0.696 120.477 121.223 -0.083 0.000 2.079 43 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 43 L C 2.666 179.511 176.870 -0.041 0.000 1.081 43 L CA 1.130 55.930 54.840 -0.067 0.000 0.752 43 L CB -0.850 41.171 42.059 -0.063 0.000 0.896 43 L HN 0.250 nan 8.230 nan 0.000 0.433 44 K N 0.352 120.733 120.400 -0.032 0.000 2.057 44 K HA -0.088 4.231 4.320 -0.001 0.000 0.206 44 K C 2.135 178.726 176.600 -0.014 0.000 1.050 44 K CA 1.149 57.426 56.287 -0.017 0.000 0.935 44 K CB -0.509 31.985 32.500 -0.010 0.000 0.715 44 K HN 0.292 nan 8.250 nan 0.000 0.439 45 L N 0.580 121.791 121.223 -0.019 0.000 2.012 45 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 45 L C 2.423 179.286 176.870 -0.012 0.000 1.073 45 L CA 1.182 56.014 54.840 -0.013 0.000 0.748 45 L CB -0.393 41.654 42.059 -0.019 0.000 0.891 45 L HN 0.095 nan 8.230 nan 0.000 0.431 46 I N -0.563 119.993 120.570 -0.024 0.000 2.179 46 I HA -0.306 3.863 4.170 -0.001 0.000 0.242 46 I C 2.629 178.742 176.117 -0.006 0.000 1.088 46 I CA 1.386 62.675 61.300 -0.019 0.000 1.357 46 I CB -0.351 37.626 38.000 -0.038 0.000 1.051 46 I HN 0.336 nan 8.210 nan 0.000 0.409 47 E N 1.112 121.306 120.200 -0.010 0.000 2.118 47 E HA -0.246 4.103 4.350 -0.001 0.000 0.195 47 E C 1.477 178.080 176.600 0.005 0.000 0.992 47 E CA 1.365 57.764 56.400 -0.003 0.000 0.804 47 E CB 0.073 29.769 29.700 -0.006 0.000 0.741 47 E HN 0.473 nan 8.360 nan 0.000 0.458 48 N N 0.496 119.199 118.700 0.006 0.000 2.353 48 N HA 0.027 4.767 4.740 -0.001 0.000 0.185 48 N C -0.496 175.023 175.510 0.015 0.000 1.098 48 N CA 0.299 53.355 53.050 0.010 0.000 0.872 48 N CB 0.428 38.921 38.487 0.010 0.000 0.970 48 N HN 0.094 nan 8.380 nan 0.000 0.467 49 N N 0.161 118.872 118.700 0.017 0.000 2.609 49 N HA 0.215 4.954 4.740 -0.001 0.000 0.268 49 N C 0.062 175.594 175.510 0.037 0.000 1.106 49 N CA -0.122 52.943 53.050 0.025 0.000 0.823 49 N CB 1.987 40.489 38.487 0.024 0.000 1.263 49 N HN -0.067 nan 8.380 nan 0.000 0.533 50 A N 1.651 124.496 122.820 0.042 0.000 2.070 50 A HA -0.120 4.200 4.320 -0.001 0.000 0.220 50 A C 1.812 179.449 177.584 0.088 0.000 1.159 50 A CA 1.119 53.192 52.037 0.061 0.000 0.656 50 A CB -0.058 18.971 19.000 0.047 0.000 0.800 50 A HN 0.505 nan 8.150 nan 0.000 0.453 51 R N -1.068 119.477 120.500 0.074 0.000 2.310 51 R HA 0.241 4.581 4.340 -0.001 0.000 0.202 51 R C 0.155 176.522 176.300 0.111 0.000 0.933 51 R CA -0.239 55.917 56.100 0.093 0.000 1.054 51 R CB -0.281 30.057 30.300 0.063 0.000 0.985 51 R HN 0.480 nan 8.270 nan 0.000 0.489 52 L N 1.682 122.958 121.223 0.088 0.000 2.456 52 L HA 0.012 4.352 4.340 -0.001 0.000 0.277 52 L C 0.766 177.687 176.870 0.085 0.000 1.124 52 L CA -0.218 54.665 54.840 0.071 0.000 0.880 52 L CB 0.533 42.609 42.059 0.030 0.000 1.192 52 L HN 0.330 nan 8.230 nan 0.000 0.463 53 C N 1.694 121.059 119.300 0.108 0.000 3.385 53 C HA 0.749 5.208 4.460 -0.001 0.000 0.288 53 C C 0.601 175.581 174.990 -0.016 0.000 1.429 53 C CA -0.038 59.045 59.018 0.108 0.000 1.778 53 C CB -0.978 26.951 27.740 0.314 0.000 2.503 53 C HN 0.842 nan 8.230 nan 0.000 0.646 54 G N 0.017 108.818 108.800 0.002 0.000 2.667 54 G HA2 0.573 4.533 3.960 -0.001 0.000 0.294 54 G HA3 0.573 4.533 3.960 -0.001 0.000 0.294 54 G C -1.895 173.026 174.900 0.035 0.000 1.467 54 G CA -0.247 44.867 45.100 0.023 0.000 0.852 54 G HN 0.413 nan 8.290 nan 0.000 0.521 55 V N 1.532 121.468 119.914 0.038 0.000 2.577 55 V HA 0.527 4.646 4.120 -0.001 0.000 0.303 55 V C -0.314 175.971 176.094 0.318 0.000 1.042 55 V CA -0.586 61.792 62.300 0.129 0.000 0.872 55 V CB 1.618 33.489 31.823 0.080 0.000 0.998 55 V HN 0.692 nan 8.190 nan 0.000 0.423 56 I N 6.238 126.987 120.570 0.298 0.000 2.377 56 I HA 0.719 4.889 4.170 -0.001 0.000 0.293 56 I C -0.638 175.697 176.117 0.363 0.000 0.987 56 I CA -0.321 61.171 61.300 0.321 0.000 1.185 56 I CB 1.250 39.347 38.000 0.162 0.000 1.341 56 I HN 0.731 nan 8.210 nan 0.000 0.455 57 F N 2.373 122.471 119.950 0.248 0.000 2.719 57 F HA 0.408 4.935 4.527 -0.001 0.000 0.309 57 F C -0.992 175.060 175.800 0.420 0.000 1.138 57 F CA -1.533 56.618 58.000 0.252 0.000 0.943 57 F CB 0.694 39.788 39.000 0.156 0.000 1.304 57 F HN 0.306 nan 8.300 nan 0.000 0.445 58 D N 3.159 123.917 120.400 0.596 0.000 2.371 58 D HA -0.007 4.632 4.640 -0.001 0.000 0.256 58 D C 0.782 177.445 176.300 0.605 0.000 1.193 58 D CA -0.094 54.232 54.000 0.544 0.000 0.881 58 D CB 0.653 41.720 40.800 0.445 0.000 1.143 58 D HN 0.635 nan 8.370 nan 0.000 0.473 59 W N 4.180 125.652 121.300 0.287 0.000 2.333 59 W HA -0.225 4.434 4.660 -0.001 0.000 0.316 59 W C 0.796 177.514 176.519 0.332 0.000 1.215 59 W CA 1.192 58.726 57.345 0.316 0.000 1.278 59 W CB -0.023 29.578 29.460 0.236 0.000 1.154 59 W HN 0.504 nan 8.180 nan 0.000 0.486 60 D N 0.157 120.745 120.400 0.314 0.000 2.117 60 D HA -0.213 4.427 4.640 -0.001 0.000 0.197 60 D C 2.013 178.310 176.300 -0.005 0.000 0.987 60 D CA 1.791 55.862 54.000 0.120 0.000 0.829 60 D CB -0.588 40.331 40.800 0.200 0.000 0.961 60 D HN 0.188 nan 8.370 nan 0.000 0.460 61 K N -0.945 119.455 120.400 -0.001 0.000 2.097 61 K HA -0.133 4.187 4.320 -0.001 0.000 0.206 61 K C 1.230 177.590 176.600 -0.400 0.000 1.049 61 K CA 1.179 57.304 56.287 -0.268 0.000 0.933 61 K CB 0.061 32.298 32.500 -0.438 0.000 0.717 61 K HN 0.275 nan 8.250 nan 0.000 0.442 62 Y N -0.963 119.365 120.300 0.046 0.000 2.423 62 Y HA 0.039 4.589 4.550 -0.001 0.000 0.257 62 Y C 1.640 177.400 175.900 -0.234 0.000 1.087 62 Y CA -0.005 58.053 58.100 -0.070 0.000 1.258 62 Y CB 0.210 38.630 38.460 -0.066 0.000 1.237 62 Y HN 0.250 nan 8.280 nan 0.000 0.517 63 N N 1.188 119.776 118.700 -0.187 0.000 2.149 63 N HA -0.198 4.542 4.740 -0.001 0.000 0.188 63 N C 1.246 176.556 175.510 -0.332 0.000 1.019 63 N CA 1.822 54.577 53.050 -0.490 0.000 0.857 63 N CB -0.720 36.809 38.487 -1.595 0.000 0.997 63 N HN 0.307 nan 8.380 nan 0.000 0.426 64 L N -0.653 120.424 121.223 -0.244 0.000 2.395 64 L HA 0.076 4.416 4.340 -0.001 0.000 0.218 64 L C 1.621 178.433 176.870 -0.097 0.000 1.130 64 L CA 0.579 55.334 54.840 -0.141 0.000 0.826 64 L CB -0.250 41.748 42.059 -0.101 0.000 0.941 64 L HN 0.239 nan 8.230 nan 0.000 0.451 65 E N -0.353 119.795 120.200 -0.086 0.000 2.400 65 E HA 0.076 4.426 4.350 -0.001 0.000 0.195 65 E C 2.004 178.545 176.600 -0.098 0.000 1.012 65 E CA 0.561 56.931 56.400 -0.050 0.000 0.875 65 E CB 0.538 30.257 29.700 0.033 0.000 0.859 65 E HN 0.468 nan 8.360 nan 0.000 0.498 66 L N -0.835 120.285 121.223 -0.173 0.000 2.600 66 L HA 0.094 4.434 4.340 -0.001 0.000 0.213 66 L C 2.200 178.952 176.870 -0.198 0.000 1.045 66 L CA 0.132 54.821 54.840 -0.251 0.000 0.863 66 L CB -0.018 41.737 42.059 -0.506 0.000 1.189 66 L HN 0.080 nan 8.230 nan 0.000 0.484 67 C N 0.415 119.615 119.300 -0.166 0.000 2.413 67 C HA -0.203 4.257 4.460 -0.001 0.000 0.277 67 C C 2.672 177.633 174.990 -0.049 0.000 1.228 67 C CA 1.411 60.383 59.018 -0.076 0.000 1.731 67 C CB -0.539 27.198 27.740 -0.005 0.000 2.042 67 C HN 0.535 nan 8.230 nan 0.000 0.468 68 E N 0.578 120.751 120.200 -0.045 0.000 2.085 68 E HA -0.220 4.129 4.350 -0.001 0.000 0.194 68 E C 2.087 178.662 176.600 -0.041 0.000 0.994 68 E CA 1.224 57.606 56.400 -0.031 0.000 0.801 68 E CB -0.063 29.622 29.700 -0.025 0.000 0.743 68 E HN 0.532 nan 8.360 nan 0.000 0.453 69 E N 0.484 120.649 120.200 -0.058 0.000 2.077 69 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 69 E C 2.240 178.804 176.600 -0.061 0.000 0.989 69 E CA 0.831 57.196 56.400 -0.058 0.000 0.800 69 E CB -0.228 29.431 29.700 -0.068 0.000 0.746 69 E HN 0.466 nan 8.360 nan 0.000 0.452 70 I N 1.555 122.077 120.570 -0.080 0.000 2.226 70 I HA -0.276 3.893 4.170 -0.001 0.000 0.245 70 I C 2.573 178.661 176.117 -0.048 0.000 1.100 70 I CA 1.431 62.685 61.300 -0.076 0.000 1.374 70 I CB -0.480 37.457 38.000 -0.105 0.000 1.057 70 I HN 0.077 nan 8.210 nan 0.000 0.413 71 S N 0.954 116.633 115.700 -0.036 0.000 2.400 71 S HA -0.215 4.254 4.470 -0.001 0.000 0.232 71 S C 1.894 176.485 174.600 -0.014 0.000 1.025 71 S CA 1.089 59.278 58.200 -0.019 0.000 0.993 71 S CB -0.428 62.768 63.200 -0.007 0.000 0.808 71 S HN 0.425 nan 8.310 nan 0.000 0.478 72 K N 0.178 120.566 120.400 -0.019 0.000 2.288 72 K HA 0.215 4.534 4.320 -0.001 0.000 0.201 72 K C 2.096 178.688 176.600 -0.013 0.000 1.048 72 K CA 1.144 57.422 56.287 -0.015 0.000 0.956 72 K CB -0.174 32.315 32.500 -0.018 0.000 0.746 72 K HN 0.447 nan 8.250 nan 0.000 0.461 73 M N -0.355 119.235 119.600 -0.017 0.000 2.447 73 M HA 0.015 4.495 4.480 -0.001 0.000 0.266 73 M C 0.135 176.435 176.300 -0.000 0.000 1.120 73 M CA 0.476 55.769 55.300 -0.012 0.000 1.166 73 M CB 0.564 33.152 32.600 -0.020 0.000 1.349 73 M HN -0.037 nan 8.290 nan 0.000 0.463 74 N N 0.255 118.954 118.700 -0.002 0.000 2.752 74 N HA 0.087 4.827 4.740 -0.001 0.000 0.268 74 N C -0.741 174.775 175.510 0.009 0.000 1.190 74 N CA 0.053 53.114 53.050 0.019 0.000 0.897 74 N CB 0.951 39.456 38.487 0.030 0.000 1.515 74 N HN -0.078 nan 8.380 nan 0.000 0.567 75 E N 1.534 121.750 120.200 0.026 0.000 2.333 75 E HA -0.017 4.332 4.350 -0.001 0.000 0.198 75 E C 0.324 176.936 176.600 0.020 0.000 1.007 75 E CA 1.310 57.722 56.400 0.020 0.000 0.845 75 E CB 0.089 29.803 29.700 0.024 0.000 0.766 75 E HN 0.636 nan 8.360 nan 0.000 0.507 76 N N -1.034 117.691 118.700 0.041 0.000 2.168 76 N HA 0.107 4.846 4.740 -0.001 0.000 0.216 76 N C -0.733 174.721 175.510 -0.093 0.000 1.259 76 N CA -0.339 52.769 53.050 0.096 0.000 0.902 76 N CB 0.740 39.399 38.487 0.286 0.000 1.079 76 N HN -0.012 nan 8.380 nan 0.000 0.507 77 L N 3.077 124.181 121.223 -0.199 0.000 2.500 77 L HA 0.284 4.624 4.340 -0.001 0.000 0.272 77 L C -2.488 174.128 176.870 -0.422 0.000 1.149 77 L CA -1.655 52.908 54.840 -0.462 0.000 0.897 77 L CB 0.115 42.017 42.059 -0.262 0.000 1.178 77 L HN -0.101 nan 8.230 nan 0.000 0.473 78 P HA 0.102 nan 4.420 nan 0.000 0.263 78 P C -1.070 175.824 177.300 -0.677 0.000 1.195 78 P CA 0.367 63.133 63.100 -0.557 0.000 0.762 78 P CB 0.384 31.780 31.700 -0.507 0.000 0.799 79 L N 4.608 125.469 121.223 -0.603 0.000 2.307 79 L HA 0.424 4.764 4.340 -0.001 0.000 0.284 79 L C -0.316 176.166 176.870 -0.648 0.000 1.023 79 L CA -0.728 53.884 54.840 -0.380 0.000 0.810 79 L CB 0.975 43.054 42.059 0.034 0.000 1.231 79 L HN 0.399 nan 8.230 nan 0.000 0.423 80 Y N 1.955 122.232 120.300 -0.038 0.000 2.575 80 Y HA 0.559 5.109 4.550 -0.001 0.000 0.326 80 Y C 0.332 176.106 175.900 -0.210 0.000 0.979 80 Y CA -0.796 57.277 58.100 -0.046 0.000 1.286 80 Y CB 1.494 40.095 38.460 0.235 0.000 1.093 80 Y HN 0.608 nan 8.280 nan 0.000 0.501 81 A N 3.743 126.316 122.820 -0.411 0.000 2.260 81 A HA 0.685 5.005 4.320 -0.001 0.000 0.314 81 A C -1.258 176.181 177.584 -0.241 0.000 1.257 81 A CA -0.448 51.282 52.037 -0.511 0.000 0.871 81 A CB 0.123 18.825 19.000 -0.496 0.000 1.166 81 A HN 0.584 nan 8.150 nan 0.000 0.522 82 F N 2.010 121.864 119.950 -0.160 0.000 2.405 82 F HA 0.544 5.070 4.527 -0.001 0.000 0.355 82 F C 0.832 176.633 175.800 0.002 0.000 1.121 82 F CA -0.092 57.779 58.000 -0.215 0.000 1.112 82 F CB 1.702 40.318 39.000 -0.640 0.000 1.126 82 F HN 0.678 nan 8.300 nan 0.000 0.481 83 A N 4.240 127.107 122.820 0.079 0.000 2.303 83 A HA 0.538 4.857 4.320 -0.001 0.000 0.317 83 A C -0.255 177.480 177.584 0.252 0.000 1.149 83 A CA -0.704 51.429 52.037 0.160 0.000 0.822 83 A CB 0.514 19.488 19.000 -0.044 0.000 1.131 83 A HN 0.871 nan 8.150 nan 0.000 0.493 84 N N -0.028 118.838 118.700 0.277 0.000 2.458 84 N HA 0.291 5.030 4.740 -0.001 0.000 0.271 84 N C 0.955 176.496 175.510 0.052 0.000 1.210 84 N CA -0.260 52.932 53.050 0.236 0.000 0.978 84 N CB 0.821 39.463 38.487 0.257 0.000 1.206 84 N HN 0.625 nan 8.380 nan 0.000 0.536 85 T N 0.042 114.541 114.554 -0.093 0.000 2.649 85 T HA -0.230 4.120 4.350 -0.001 0.000 0.268 85 T C 0.911 175.366 174.700 -0.408 0.000 1.036 85 T CA 1.746 63.621 62.100 -0.375 0.000 1.157 85 T CB -0.399 68.035 68.868 -0.723 0.000 0.861 85 T HN 0.495 nan 8.240 nan 0.000 0.445 86 Y N 1.017 121.365 120.300 0.080 0.000 2.493 86 Y HA 0.360 4.910 4.550 -0.001 0.000 0.275 86 Y C 1.206 177.158 175.900 0.088 0.000 1.183 86 Y CA -0.834 57.306 58.100 0.066 0.000 1.258 86 Y CB 0.137 38.635 38.460 0.064 0.000 1.108 86 Y HN -0.010 nan 8.280 nan 0.000 0.521 87 S N 0.825 116.640 115.700 0.191 0.000 2.558 87 S HA 0.103 4.573 4.470 -0.001 0.000 0.293 87 S C 0.470 175.154 174.600 0.140 0.000 1.292 87 S CA 0.352 58.693 58.200 0.236 0.000 1.063 87 S CB 0.865 64.185 63.200 0.200 0.000 0.831 87 S HN 0.393 nan 8.310 nan 0.000 0.499 88 T N 2.024 116.723 114.554 0.243 0.000 2.696 88 T HA 0.595 4.945 4.350 -0.001 0.000 0.291 88 T C -1.613 173.268 174.700 0.303 0.000 1.095 88 T CA -0.783 61.408 62.100 0.152 0.000 1.026 88 T CB 0.482 69.422 68.868 0.120 0.000 1.390 88 T HN 0.422 nan 8.240 nan 0.000 0.513 89 L N 2.704 124.045 121.223 0.197 0.000 2.280 89 L HA 0.470 4.810 4.340 -0.001 0.000 0.287 89 L C -0.312 176.683 176.870 0.209 0.000 1.023 89 L CA -0.883 54.127 54.840 0.283 0.000 0.819 89 L CB 1.338 43.499 42.059 0.170 0.000 1.212 89 L HN 0.700 nan 8.230 nan 0.000 0.420 90 D N 1.463 121.997 120.400 0.223 0.000 2.382 90 D HA 0.014 4.654 4.640 -0.001 0.000 0.245 90 D C 0.884 177.249 176.300 0.107 0.000 1.120 90 D CA -0.038 54.039 54.000 0.129 0.000 0.890 90 D CB 1.848 42.702 40.800 0.091 0.000 1.201 90 D HN 0.250 nan 8.370 nan 0.000 0.433 91 V N 3.066 123.023 119.914 0.073 0.000 2.469 91 V HA -0.237 3.883 4.120 -0.001 0.000 0.251 91 V C 2.009 178.136 176.094 0.054 0.000 1.064 91 V CA 2.549 64.884 62.300 0.058 0.000 1.066 91 V CB -0.690 31.157 31.823 0.041 0.000 0.667 91 V HN 0.789 nan 8.190 nan 0.000 0.461 92 S N -0.268 115.461 115.700 0.048 0.000 2.440 92 S HA -0.169 4.301 4.470 -0.001 0.000 0.240 92 S C 1.706 176.337 174.600 0.051 0.000 1.014 92 S CA 1.933 60.157 58.200 0.039 0.000 0.980 92 S CB -0.674 62.540 63.200 0.024 0.000 0.775 92 S HN 0.631 nan 8.310 nan 0.000 0.499 93 L N 0.738 122.011 121.223 0.082 0.000 2.509 93 L HA 0.129 4.468 4.340 -0.001 0.000 0.222 93 L C 2.119 179.044 176.870 0.092 0.000 1.123 93 L CA 0.144 55.049 54.840 0.107 0.000 0.856 93 L CB -0.674 41.500 42.059 0.192 0.000 0.985 93 L HN 0.206 nan 8.230 nan 0.000 0.456 94 N N 0.759 119.503 118.700 0.074 0.000 2.094 94 N HA -0.196 4.543 4.740 -0.001 0.000 0.191 94 N C 1.150 176.688 175.510 0.047 0.000 1.023 94 N CA 1.513 54.599 53.050 0.060 0.000 0.857 94 N CB -0.139 38.376 38.487 0.045 0.000 1.013 94 N HN 0.290 nan 8.380 nan 0.000 0.426 95 D N -0.142 120.281 120.400 0.039 0.000 2.349 95 D HA 0.122 4.762 4.640 -0.001 0.000 0.214 95 D C 0.189 176.506 176.300 0.028 0.000 1.063 95 D CA -0.027 53.990 54.000 0.028 0.000 0.847 95 D CB 0.323 41.135 40.800 0.020 0.000 0.933 95 D HN 0.216 nan 8.370 nan 0.000 0.513 96 L N 1.109 122.354 121.223 0.037 0.000 2.397 96 L HA 0.251 4.591 4.340 -0.001 0.000 0.271 96 L C 0.914 177.804 176.870 0.033 0.000 1.148 96 L CA -0.264 54.596 54.840 0.033 0.000 0.825 96 L CB 0.895 42.979 42.059 0.042 0.000 1.117 96 L HN -0.368 nan 8.230 nan 0.000 0.456 97 R N 4.495 125.008 120.500 0.022 0.000 2.210 97 R HA 0.559 4.899 4.340 -0.001 0.000 0.338 97 R C -1.018 175.291 176.300 0.015 0.000 1.062 97 R CA -0.247 55.864 56.100 0.019 0.000 0.902 97 R CB 0.414 30.723 30.300 0.014 0.000 1.050 97 R HN 0.491 nan 8.270 nan 0.000 0.461 98 L N 2.264 123.497 121.223 0.017 0.000 2.409 98 L HA 0.304 4.643 4.340 -0.001 0.000 0.262 98 L C -0.653 176.202 176.870 -0.026 0.000 0.992 98 L CA -1.099 53.744 54.840 0.005 0.000 0.817 98 L CB 2.358 44.447 42.059 0.049 0.000 1.350 98 L HN 0.347 nan 8.230 nan 0.000 0.411 99 Q N 3.385 123.142 119.800 -0.072 0.000 2.425 99 Q HA 0.632 4.972 4.340 -0.001 0.000 0.254 99 Q C -1.615 174.259 176.000 -0.209 0.000 1.032 99 Q CA 0.084 55.817 55.803 -0.116 0.000 0.798 99 Q CB 0.884 29.554 28.738 -0.113 0.000 1.210 99 Q HN 0.520 nan 8.270 nan 0.000 0.491 100 I N 2.056 122.474 120.570 -0.253 0.000 2.465 100 I HA 0.488 4.658 4.170 -0.001 0.000 0.291 100 I C -0.464 175.304 176.117 -0.583 0.000 1.014 100 I CA -0.793 60.227 61.300 -0.466 0.000 1.093 100 I CB 2.416 40.047 38.000 -0.614 0.000 1.267 100 I HN 0.433 nan 8.210 nan 0.000 0.431 101 S N 5.090 120.394 115.700 -0.659 0.000 2.472 101 S HA 0.643 5.113 4.470 -0.001 0.000 0.303 101 S C -0.721 173.193 174.600 -1.142 0.000 1.099 101 S CA -0.534 57.225 58.200 -0.735 0.000 1.077 101 S CB 1.027 63.927 63.200 -0.501 0.000 1.031 101 S HN 0.261 nan 8.310 nan 0.000 0.487 102 F N 2.124 121.560 119.950 -0.856 0.000 2.420 102 F HA 0.620 5.147 4.527 -0.001 0.000 0.342 102 F C -0.146 175.021 175.800 -1.055 0.000 1.113 102 F CA -0.596 56.906 58.000 -0.830 0.000 1.059 102 F CB 0.832 39.475 39.000 -0.595 0.000 1.128 102 F HN 0.473 nan 8.300 nan 0.000 0.475 103 F N 0.521 120.161 119.950 -0.516 0.000 2.611 103 F HA 0.471 4.998 4.527 -0.001 0.000 0.324 103 F C -0.131 175.292 175.800 -0.629 0.000 1.061 103 F CA -1.073 56.491 58.000 -0.727 0.000 0.954 103 F CB 1.751 39.900 39.000 -1.420 0.000 1.301 103 F HN 0.341 nan 8.300 nan 0.000 0.482 104 E N 0.069 120.183 120.200 -0.144 0.000 2.212 104 E HA 0.270 4.619 4.350 -0.001 0.000 0.270 104 E C -1.722 174.959 176.600 0.135 0.000 0.956 104 E CA -0.908 55.489 56.400 -0.004 0.000 0.825 104 E CB 1.694 31.435 29.700 0.068 0.000 1.167 104 E HN 0.455 nan 8.360 nan 0.000 0.400 105 Y N 0.835 121.352 120.300 0.362 0.000 2.452 105 Y HA 0.416 4.966 4.550 -0.001 0.000 0.348 105 Y C 0.190 176.240 175.900 0.251 0.000 0.985 105 Y CA -0.413 57.890 58.100 0.338 0.000 1.214 105 Y CB 0.954 39.595 38.460 0.301 0.000 1.136 105 Y HN 0.396 nan 8.280 nan 0.000 0.523 106 A N 4.155 127.168 122.820 0.323 0.000 2.517 106 A HA 0.609 4.929 4.320 -0.001 0.000 0.297 106 A C -1.160 176.518 177.584 0.157 0.000 1.050 106 A CA -0.873 51.294 52.037 0.216 0.000 0.694 106 A CB 0.963 20.054 19.000 0.152 0.000 1.277 106 A HN 0.721 nan 8.150 nan 0.000 0.400 107 L N 1.752 123.058 121.223 0.137 0.000 2.456 107 L HA 0.422 4.761 4.340 -0.001 0.000 0.272 107 L C 1.595 178.509 176.870 0.074 0.000 1.189 107 L CA 1.391 56.290 54.840 0.099 0.000 0.846 107 L CB 0.513 42.636 42.059 0.108 0.000 1.111 107 L HN 1.510 nan 8.230 nan 0.000 0.475 108 G N 1.954 110.786 108.800 0.053 0.000 2.205 108 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.261 108 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.261 108 G C 0.867 175.782 174.900 0.025 0.000 0.980 108 G CA 0.477 45.599 45.100 0.037 0.000 0.632 108 G HN 0.856 nan 8.290 nan 0.000 0.533 109 A N 0.173 123.011 122.820 0.029 0.000 2.169 109 A HA 0.686 5.006 4.320 -0.001 0.000 0.212 109 A C 2.608 180.172 177.584 -0.034 0.000 1.153 109 A CA 1.679 53.720 52.037 0.007 0.000 0.756 109 A CB -0.479 18.537 19.000 0.027 0.000 0.813 109 A HN 1.721 nan 8.150 nan 0.000 0.471 110 A N 0.448 123.252 122.820 -0.027 0.000 1.908 110 A HA -0.230 4.090 4.320 -0.001 0.000 0.218 110 A C 1.980 179.516 177.584 -0.080 0.000 1.181 110 A CA 1.845 53.845 52.037 -0.062 0.000 0.627 110 A CB -0.492 18.487 19.000 -0.034 0.000 0.818 110 A HN 0.677 nan 8.150 nan 0.000 0.445 111 E N -0.307 119.865 120.200 -0.047 0.000 2.051 111 E HA -0.282 4.067 4.350 -0.001 0.000 0.192 111 E C 1.734 178.299 176.600 -0.057 0.000 0.991 111 E CA 1.554 57.930 56.400 -0.041 0.000 0.799 111 E CB -0.236 29.454 29.700 -0.017 0.000 0.748 111 E HN 0.603 nan 8.360 nan 0.000 0.449 112 D N 0.032 120.398 120.400 -0.056 0.000 2.097 112 D HA -0.156 4.483 4.640 -0.001 0.000 0.195 112 D C 2.007 178.237 176.300 -0.118 0.000 0.989 112 D CA 1.581 55.546 54.000 -0.058 0.000 0.827 112 D CB -0.115 40.665 40.800 -0.033 0.000 0.966 112 D HN 0.293 nan 8.370 nan 0.000 0.456 113 I N 0.468 120.908 120.570 -0.217 0.000 2.179 113 I HA -0.256 3.914 4.170 -0.001 0.000 0.242 113 I C 2.518 178.393 176.117 -0.403 0.000 1.088 113 I CA 1.122 62.141 61.300 -0.469 0.000 1.357 113 I CB -0.428 37.164 38.000 -0.680 0.000 1.051 113 I HN 0.067 nan 8.210 nan 0.000 0.409 114 A N 0.985 123.642 122.820 -0.271 0.000 1.902 114 A HA -0.249 4.071 4.320 -0.001 0.000 0.217 114 A C 2.034 179.535 177.584 -0.138 0.000 1.181 114 A CA 2.277 54.176 52.037 -0.228 0.000 0.623 114 A CB -1.097 17.826 19.000 -0.128 0.000 0.818 114 A HN 0.519 nan 8.150 nan 0.000 0.443 115 N N -0.528 118.123 118.700 -0.081 0.000 2.166 115 N HA -0.152 4.587 4.740 -0.001 0.000 0.186 115 N C 1.731 177.233 175.510 -0.014 0.000 1.019 115 N CA 1.436 54.474 53.050 -0.020 0.000 0.856 115 N CB -0.154 38.327 38.487 -0.009 0.000 0.993 115 N HN 0.496 nan 8.380 nan 0.000 0.426 116 K N 0.711 121.086 120.400 -0.043 0.000 2.097 116 K HA -0.051 4.268 4.320 -0.001 0.000 0.206 116 K C 1.894 178.487 176.600 -0.010 0.000 1.049 116 K CA 0.869 57.166 56.287 0.017 0.000 0.933 116 K CB -0.060 32.501 32.500 0.102 0.000 0.717 116 K HN 0.199 nan 8.250 nan 0.000 0.442 117 I N 1.201 121.649 120.570 -0.203 0.000 2.226 117 I HA -0.289 3.881 4.170 -0.001 0.000 0.245 117 I C 2.413 178.492 176.117 -0.064 0.000 1.100 117 I CA 1.042 62.121 61.300 -0.369 0.000 1.374 117 I CB -0.155 37.366 38.000 -0.799 0.000 1.057 117 I HN 0.071 nan 8.210 nan 0.000 0.413 118 K N 1.273 121.700 120.400 0.045 0.000 2.032 118 K HA -0.276 4.044 4.320 -0.001 0.000 0.209 118 K C 2.122 178.836 176.600 0.189 0.000 1.048 118 K CA 1.828 58.271 56.287 0.259 0.000 0.927 118 K CB -0.396 32.240 32.500 0.227 0.000 0.712 118 K HN 0.273 nan 8.250 nan 0.000 0.441 119 Q N -0.655 119.218 119.800 0.122 0.000 2.050 119 Q HA -0.133 4.207 4.340 -0.001 0.000 0.202 119 Q C 1.655 177.740 176.000 0.142 0.000 0.980 119 Q CA 2.348 58.218 55.803 0.112 0.000 0.840 119 Q CB -0.166 28.622 28.738 0.084 0.000 0.898 119 Q HN 0.448 nan 8.270 nan 0.000 0.424 120 T N -0.019 114.636 114.554 0.168 0.000 2.833 120 T HA -0.110 4.239 4.350 -0.001 0.000 0.269 120 T C 1.731 176.583 174.700 0.254 0.000 1.054 120 T CA 1.564 63.791 62.100 0.212 0.000 1.135 120 T CB -0.357 68.695 68.868 0.307 0.000 0.869 120 T HN 0.385 nan 8.240 nan 0.000 0.466 121 T N 2.036 116.761 114.554 0.286 0.000 2.746 121 T HA -0.111 4.239 4.350 -0.001 0.000 0.267 121 T C 1.696 176.571 174.700 0.291 0.000 1.039 121 T CA 1.184 63.492 62.100 0.346 0.000 1.142 121 T CB -0.409 68.714 68.868 0.425 0.000 0.866 121 T HN 0.333 nan 8.240 nan 0.000 0.444 122 D N 1.189 121.716 120.400 0.212 0.000 2.144 122 D HA -0.071 4.568 4.640 -0.001 0.000 0.199 122 D C 2.197 178.576 176.300 0.133 0.000 0.984 122 D CA 0.961 55.048 54.000 0.146 0.000 0.834 122 D CB -0.231 40.635 40.800 0.110 0.000 0.955 122 D HN 0.545 nan 8.370 nan 0.000 0.465 123 E N -0.374 119.915 120.200 0.149 0.000 2.110 123 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 123 E C 1.984 178.684 176.600 0.166 0.000 0.988 123 E CA 0.564 57.044 56.400 0.132 0.000 0.804 123 E CB -0.242 29.530 29.700 0.121 0.000 0.745 123 E HN 0.467 nan 8.360 nan 0.000 0.458 124 Y N 1.341 121.684 120.300 0.073 0.000 2.114 124 Y HA -0.249 4.300 4.550 -0.001 0.000 0.284 124 Y C 2.103 178.041 175.900 0.063 0.000 1.143 124 Y CA 1.389 59.526 58.100 0.062 0.000 1.135 124 Y CB -0.065 38.438 38.460 0.072 0.000 0.980 124 Y HN -0.076 nan 8.280 nan 0.000 0.499 125 I N 0.901 121.426 120.570 -0.075 0.000 2.163 125 I HA -0.395 3.774 4.170 -0.001 0.000 0.243 125 I C 1.896 177.959 176.117 -0.090 0.000 1.085 125 I CA 1.578 62.784 61.300 -0.157 0.000 1.347 125 I CB -0.548 37.447 38.000 -0.008 0.000 1.044 125 I HN 0.381 nan 8.210 nan 0.000 0.408 126 N N 0.160 118.854 118.700 -0.010 0.000 2.244 126 N HA -0.121 4.618 4.740 -0.001 0.000 0.183 126 N C 1.812 177.318 175.510 -0.007 0.000 1.016 126 N CA 1.545 54.595 53.050 0.000 0.000 0.866 126 N CB -0.461 38.044 38.487 0.031 0.000 0.980 126 N HN 0.340 nan 8.380 nan 0.000 0.430 127 T N 1.800 116.356 114.554 0.004 0.000 2.821 127 T HA -0.025 4.325 4.350 -0.001 0.000 0.267 127 T C 2.001 176.697 174.700 -0.007 0.000 1.046 127 T CA 0.907 63.020 62.100 0.022 0.000 1.139 127 T CB -0.059 68.852 68.868 0.073 0.000 0.871 127 T HN 0.444 nan 8.240 nan 0.000 0.454 128 I N -1.392 119.121 120.570 -0.095 0.000 2.852 128 I HA 0.283 4.453 4.170 -0.001 0.000 0.264 128 I C 0.462 176.536 176.117 -0.071 0.000 1.179 128 I CA 0.119 61.362 61.300 -0.095 0.000 1.480 128 I CB -0.343 37.522 38.000 -0.226 0.000 1.111 128 I HN 0.030 nan 8.210 nan 0.000 0.441 129 L N 3.997 125.160 121.223 -0.099 0.000 2.453 129 L HA 0.274 4.614 4.340 -0.001 0.000 0.272 129 L C -1.931 174.839 176.870 -0.167 0.000 1.182 129 L CA -1.589 53.172 54.840 -0.132 0.000 0.858 129 L CB 0.165 42.142 42.059 -0.138 0.000 1.120 129 L HN 0.056 nan 8.230 nan 0.000 0.474 130 P HA 0.199 nan 4.420 nan 0.000 0.276 130 P C -2.354 174.702 177.300 -0.406 0.000 1.252 130 P CA -1.648 61.120 63.100 -0.553 0.000 0.802 130 P CB 0.379 31.528 31.700 -0.918 0.000 1.035 131 P HA -0.097 nan 4.420 nan 0.000 0.216 131 P C 1.826 179.000 177.300 -0.210 0.000 1.153 131 P CA 1.185 64.159 63.100 -0.210 0.000 0.848 131 P CB 0.002 31.619 31.700 -0.138 0.000 0.787 132 L N -0.908 120.157 121.223 -0.264 0.000 2.044 132 L HA -0.084 4.255 4.340 -0.001 0.000 0.205 132 L C 2.210 178.928 176.870 -0.253 0.000 1.075 132 L CA 1.888 56.575 54.840 -0.254 0.000 0.747 132 L CB -1.123 40.734 42.059 -0.337 0.000 0.903 132 L HN -0.048 nan 8.230 nan 0.000 0.435 133 T N -0.181 114.167 114.554 -0.344 0.000 2.720 133 T HA -0.268 4.082 4.350 -0.001 0.000 0.268 133 T C 1.820 176.115 174.700 -0.676 0.000 1.037 133 T CA 1.807 63.581 62.100 -0.544 0.000 1.144 133 T CB -0.203 68.304 68.868 -0.602 0.000 0.864 133 T HN 0.297 nan 8.240 nan 0.000 0.444 134 K N 1.093 121.236 120.400 -0.428 0.000 2.032 134 K HA -0.119 4.200 4.320 -0.001 0.000 0.209 134 K C 2.544 179.091 176.600 -0.088 0.000 1.048 134 K CA 1.461 57.605 56.287 -0.238 0.000 0.927 134 K CB -0.383 32.029 32.500 -0.145 0.000 0.712 134 K HN 0.295 nan 8.250 nan 0.000 0.441 135 A N 1.333 124.111 122.820 -0.070 0.000 1.902 135 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 135 A C 2.056 179.706 177.584 0.110 0.000 1.181 135 A CA 1.379 53.433 52.037 0.028 0.000 0.623 135 A CB -0.611 18.398 19.000 0.016 0.000 0.818 135 A HN 0.402 nan 8.150 nan 0.000 0.443 136 L N -1.216 120.051 121.223 0.072 0.000 2.017 136 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 136 L C 2.163 179.263 176.870 0.383 0.000 1.073 136 L CA 1.965 56.931 54.840 0.209 0.000 0.745 136 L CB -0.805 41.357 42.059 0.171 0.000 0.894 136 L HN 0.352 nan 8.230 nan 0.000 0.432 137 F N 0.356 120.361 119.950 0.093 0.000 2.171 137 F HA -0.163 4.364 4.527 -0.001 0.000 0.300 137 F C 2.576 178.412 175.800 0.060 0.000 1.090 137 F CA 1.409 59.449 58.000 0.067 0.000 1.293 137 F CB -1.198 37.823 39.000 0.035 0.000 1.013 137 F HN 0.238 nan 8.300 nan 0.000 0.486 138 K N -0.566 119.990 120.400 0.260 0.000 2.057 138 K HA -0.244 4.075 4.320 -0.001 0.000 0.206 138 K C 2.276 178.957 176.600 0.136 0.000 1.050 138 K CA 1.240 57.621 56.287 0.157 0.000 0.935 138 K CB -0.614 31.959 32.500 0.122 0.000 0.715 138 K HN 0.196 nan 8.250 nan 0.000 0.439 139 Y N 1.308 121.669 120.300 0.101 0.000 2.128 139 Y HA -0.271 4.278 4.550 -0.001 0.000 0.284 139 Y C 1.868 177.814 175.900 0.076 0.000 1.154 139 Y CA 1.681 59.833 58.100 0.087 0.000 1.149 139 Y CB -0.461 38.061 38.460 0.104 0.000 0.976 139 Y HN -0.146 nan 8.280 nan 0.000 0.505 140 V N 1.115 121.062 119.914 0.056 0.000 2.287 140 V HA -0.361 3.759 4.120 -0.001 0.000 0.248 140 V C 2.471 178.498 176.094 -0.112 0.000 1.053 140 V CA 2.451 64.731 62.300 -0.032 0.000 1.027 140 V CB -0.614 31.264 31.823 0.091 0.000 0.646 140 V HN 0.398 nan 8.190 nan 0.000 0.447 141 R N -0.330 120.135 120.500 -0.058 0.000 2.075 141 R HA -0.132 4.207 4.340 -0.001 0.000 0.232 141 R C 2.077 178.314 176.300 -0.106 0.000 1.126 141 R CA 1.740 57.801 56.100 -0.064 0.000 0.963 141 R CB -0.139 30.150 30.300 -0.019 0.000 0.858 141 R HN 0.644 nan 8.270 nan 0.000 0.435 142 E N -0.673 119.439 120.200 -0.146 0.000 2.399 142 E HA 0.117 4.467 4.350 -0.001 0.000 0.205 142 E C 0.792 177.249 176.600 -0.238 0.000 0.906 142 E CA -0.099 56.215 56.400 -0.143 0.000 0.998 142 E CB 0.525 30.183 29.700 -0.071 0.000 1.002 142 E HN 0.203 nan 8.360 nan 0.000 0.501 143 G N 1.353 109.868 108.800 -0.474 0.000 2.636 143 G HA2 0.121 4.081 3.960 -0.001 0.000 0.246 143 G HA3 0.121 4.081 3.960 -0.001 0.000 0.246 143 G C 0.135 174.794 174.900 -0.402 0.000 1.216 143 G CA -0.124 44.618 45.100 -0.596 0.000 0.854 143 G HN -0.012 nan 8.290 nan 0.000 0.572 144 K N 0.111 120.346 120.400 -0.275 0.000 2.972 144 K HA 0.095 4.415 4.320 -0.001 0.000 0.187 144 K C -1.193 175.388 176.600 -0.032 0.000 1.122 144 K CA -0.288 55.918 56.287 -0.134 0.000 1.080 144 K CB 0.642 33.066 32.500 -0.126 0.000 0.720 144 K HN 0.468 nan 8.250 nan 0.000 0.429 145 Y N 1.728 122.113 120.300 0.142 0.000 2.425 145 Y HA 0.065 4.614 4.550 -0.001 0.000 0.331 145 Y C 1.370 177.334 175.900 0.106 0.000 1.157 145 Y CA 0.169 58.352 58.100 0.140 0.000 1.372 145 Y CB 0.654 39.209 38.460 0.160 0.000 1.253 145 Y HN 0.069 nan 8.280 nan 0.000 0.536 146 T N -1.602 113.124 114.554 0.288 0.000 2.940 146 T HA 0.582 4.931 4.350 -0.001 0.000 0.288 146 T C -0.642 174.230 174.700 0.287 0.000 1.045 146 T CA -0.906 61.312 62.100 0.197 0.000 1.018 146 T CB 0.970 69.954 68.868 0.194 0.000 1.151 146 T HN 0.488 nan 8.240 nan 0.000 0.529 147 F N -1.616 118.357 119.950 0.039 0.000 3.030 147 F HA -0.132 4.394 4.527 -0.001 0.000 0.309 147 F C 0.371 176.165 175.800 -0.010 0.000 0.941 147 F CA -0.273 57.734 58.000 0.012 0.000 1.082 147 F CB -1.835 37.175 39.000 0.016 0.000 1.113 147 F HN 0.854 nan 8.300 nan 0.000 0.716 148 C N 0.900 120.215 119.300 0.026 0.000 2.563 148 C HA 0.800 5.260 4.460 -0.001 0.000 0.314 148 C C 0.595 175.538 174.990 -0.080 0.000 1.199 148 C CA 0.184 59.189 59.018 -0.021 0.000 1.564 148 C CB 1.334 29.070 27.740 -0.006 0.000 2.173 148 C HN 0.575 nan 8.230 nan 0.000 0.485 149 T N 2.381 116.877 114.554 -0.096 0.000 2.928 149 T HA 0.580 4.930 4.350 -0.001 0.000 0.284 149 T C -2.783 171.813 174.700 -0.173 0.000 1.008 149 T CA -1.462 60.563 62.100 -0.125 0.000 1.057 149 T CB 1.039 69.854 68.868 -0.088 0.000 1.018 149 T HN 0.486 nan 8.240 nan 0.000 0.493 150 P HA 0.153 nan 4.420 nan 0.000 0.265 150 P C 1.294 178.420 177.300 -0.290 0.000 1.187 150 P CA 0.015 62.959 63.100 -0.260 0.000 0.766 150 P CB 0.067 31.510 31.700 -0.428 0.000 0.820 151 G N 1.876 110.574 108.800 -0.170 0.000 2.501 151 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.220 151 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.220 151 G C 1.077 175.900 174.900 -0.128 0.000 1.114 151 G CA 0.959 45.977 45.100 -0.137 0.000 0.757 151 G HN 0.749 nan 8.290 nan 0.000 0.559 152 H N -1.820 117.207 119.070 -0.072 0.000 2.495 152 H HA 0.257 4.813 4.556 -0.001 0.000 0.287 152 H C 1.341 176.689 175.328 0.034 0.000 1.033 152 H CA 0.474 56.487 56.048 -0.059 0.000 1.307 152 H CB -0.412 29.359 29.762 0.014 0.000 1.401 152 H HN 0.226 nan 8.280 nan 0.000 0.555 153 M N 0.679 120.161 119.600 -0.196 0.000 3.355 153 M HA -0.172 4.308 4.480 -0.001 0.000 0.169 153 M C 0.884 177.272 176.300 0.148 0.000 1.360 153 M CA 0.854 56.124 55.300 -0.050 0.000 0.874 153 M CB -1.612 30.960 32.600 -0.047 0.000 1.274 153 M HN 0.906 nan 8.290 nan 0.000 0.621 154 G N -0.104 108.825 108.800 0.214 0.000 2.283 154 G HA2 0.016 3.975 3.960 -0.001 0.000 0.280 154 G HA3 0.016 3.975 3.960 -0.001 0.000 0.280 154 G C 1.120 176.318 174.900 0.496 0.000 1.029 154 G CA 1.102 46.408 45.100 0.343 0.000 0.840 154 G HN 2.172 nan 8.290 nan 0.000 0.505 155 G N -2.454 106.818 108.800 0.787 0.000 2.205 155 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.261 155 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.261 155 G C 1.493 176.714 174.900 0.534 0.000 0.980 155 G CA 1.546 47.102 45.100 0.759 0.000 0.632 155 G HN 1.499 nan 8.290 nan 0.000 0.533 156 T N 1.043 115.782 114.554 0.309 0.000 2.620 156 T HA -0.135 4.214 4.350 -0.001 0.000 0.267 156 T C 2.766 177.505 174.700 0.065 0.000 1.044 156 T CA 3.160 65.323 62.100 0.106 0.000 1.161 156 T CB -0.541 68.361 68.868 0.057 0.000 0.862 156 T HN 1.397 nan 8.240 nan 0.000 0.438 157 A N 0.208 123.068 122.820 0.066 0.000 1.972 157 A HA 0.033 4.353 4.320 -0.001 0.000 0.219 157 A C 1.995 179.529 177.584 -0.084 0.000 1.169 157 A CA 1.224 53.222 52.037 -0.065 0.000 0.635 157 A CB -0.939 17.968 19.000 -0.154 0.000 0.810 157 A HN 0.532 nan 8.150 nan 0.000 0.446 158 F N 0.182 120.170 119.950 0.063 0.000 2.216 158 F HA -0.175 4.351 4.527 -0.001 0.000 0.300 158 F C 2.656 178.464 175.800 0.013 0.000 1.085 158 F CA 1.641 59.684 58.000 0.072 0.000 1.326 158 F CB -0.173 38.954 39.000 0.212 0.000 1.027 158 F HN 0.291 nan 8.300 nan 0.000 0.497 159 Q N -0.010 119.843 119.800 0.088 0.000 2.436 159 Q HA -0.092 4.247 4.340 -0.001 0.000 0.209 159 Q C 1.359 177.346 176.000 -0.021 0.000 0.965 159 Q CA 0.588 56.359 55.803 -0.053 0.000 0.910 159 Q CB -0.034 28.561 28.738 -0.238 0.000 0.980 159 Q HN 0.265 nan 8.270 nan 0.000 0.491 160 K N 0.251 120.646 120.400 -0.008 0.000 2.444 160 K HA 0.114 4.434 4.320 -0.001 0.000 0.193 160 K C 0.557 177.156 176.600 -0.001 0.000 1.024 160 K CA 0.110 56.388 56.287 -0.015 0.000 1.077 160 K CB 0.695 33.177 32.500 -0.030 0.000 0.833 160 K HN -0.068 nan 8.250 nan 0.000 0.517 161 S N 1.001 116.716 115.700 0.024 0.000 2.482 161 S HA 0.379 4.848 4.470 -0.001 0.000 0.303 161 S C -2.151 172.484 174.600 0.059 0.000 1.091 161 S CA -1.711 56.508 58.200 0.032 0.000 1.057 161 S CB 1.714 64.934 63.200 0.033 0.000 1.031 161 S HN -0.222 nan 8.310 nan 0.000 0.485 162 P HA -0.128 nan 4.420 nan 0.000 0.213 162 P C 1.560 178.911 177.300 0.085 0.000 1.170 162 P CA 0.810 63.943 63.100 0.055 0.000 0.902 162 P CB 0.014 31.736 31.700 0.038 0.000 0.789 163 V N -0.215 119.750 119.914 0.085 0.000 2.515 163 V HA -0.119 4.000 4.120 -0.001 0.000 0.250 163 V C 2.219 178.428 176.094 0.191 0.000 1.058 163 V CA 2.554 64.921 62.300 0.113 0.000 1.064 163 V CB -1.529 30.344 31.823 0.083 0.000 0.675 163 V HN 0.166 nan 8.190 nan 0.000 0.461 164 G N -0.266 108.659 108.800 0.209 0.000 2.422 164 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.218 164 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.218 164 G C 1.865 177.008 174.900 0.405 0.000 1.146 164 G CA 1.407 46.740 45.100 0.388 0.000 0.769 164 G HN 0.735 nan 8.290 nan 0.000 0.547 165 S N 0.509 116.361 115.700 0.253 0.000 2.399 165 S HA -0.001 4.468 4.470 -0.001 0.000 0.231 165 S C 2.354 177.097 174.600 0.237 0.000 1.022 165 S CA 1.124 59.451 58.200 0.212 0.000 0.983 165 S CB -0.366 62.901 63.200 0.111 0.000 0.803 165 S HN 0.304 nan 8.310 nan 0.000 0.480 166 L N -0.649 120.700 121.223 0.210 0.000 2.056 166 L HA 0.060 4.399 4.340 -0.001 0.000 0.207 166 L C 2.492 179.491 176.870 0.215 0.000 1.078 166 L CA 1.580 56.526 54.840 0.178 0.000 0.749 166 L CB -0.587 41.552 42.059 0.133 0.000 0.901 166 L HN 0.295 nan 8.230 nan 0.000 0.433 167 F N -0.406 119.609 119.950 0.108 0.000 2.113 167 F HA -0.294 4.233 4.527 -0.001 0.000 0.297 167 F C 2.603 178.456 175.800 0.087 0.000 1.103 167 F CA 1.467 59.515 58.000 0.080 0.000 1.248 167 F CB -0.345 38.670 39.000 0.024 0.000 0.999 167 F HN -0.032 nan 8.300 nan 0.000 0.475 168 Y N 1.271 121.642 120.300 0.119 0.000 2.128 168 Y HA -0.288 4.261 4.550 -0.001 0.000 0.284 168 Y C 2.205 178.120 175.900 0.024 0.000 1.154 168 Y CA 2.255 60.366 58.100 0.018 0.000 1.149 168 Y CB -0.727 37.788 38.460 0.092 0.000 0.976 168 Y HN 0.058 nan 8.280 nan 0.000 0.505 169 D N -0.515 120.037 120.400 0.253 0.000 2.144 169 D HA -0.190 4.450 4.640 -0.001 0.000 0.200 169 D C 1.971 178.249 176.300 -0.036 0.000 0.978 169 D CA 1.247 55.325 54.000 0.130 0.000 0.833 169 D CB -0.697 40.191 40.800 0.146 0.000 0.961 169 D HN 0.432 nan 8.370 nan 0.000 0.470 170 F N 0.246 120.059 119.950 -0.228 0.000 2.075 170 F HA -0.181 4.346 4.527 -0.001 0.000 0.297 170 F C 1.946 177.411 175.800 -0.559 0.000 1.113 170 F CA 1.401 59.140 58.000 -0.435 0.000 1.218 170 F CB -0.267 38.359 39.000 -0.623 0.000 0.984 170 F HN -0.166 nan 8.300 nan 0.000 0.472 171 F N 0.632 120.417 119.950 -0.275 0.000 2.234 171 F HA 0.286 4.813 4.527 -0.001 0.000 0.296 171 F C 1.459 177.023 175.800 -0.393 0.000 1.089 171 F CA 1.079 58.855 58.000 -0.373 0.000 1.343 171 F CB -0.877 37.887 39.000 -0.393 0.000 1.040 171 F HN 0.177 nan 8.300 nan 0.000 0.498 172 G N -0.306 108.308 108.800 -0.310 0.000 2.662 172 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.686 172 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.686 172 G C -2.253 172.371 174.900 -0.461 0.000 1.271 172 G CA -0.647 44.238 45.100 -0.357 0.000 0.816 172 G HN -0.047 nan 8.290 nan 0.000 0.608 173 P HA -0.080 nan 4.420 nan 0.000 0.216 173 P C 1.560 178.787 177.300 -0.121 0.000 1.153 173 P CA 1.713 64.679 63.100 -0.224 0.000 0.848 173 P CB -0.071 31.626 31.700 -0.006 0.000 0.787 174 N N -1.211 117.422 118.700 -0.111 0.000 2.120 174 N HA -0.107 4.633 4.740 -0.001 0.000 0.188 174 N C 1.608 177.091 175.510 -0.044 0.000 1.024 174 N CA 1.494 54.497 53.050 -0.079 0.000 0.852 174 N CB -0.494 37.918 38.487 -0.126 0.000 1.003 174 N HN 0.104 nan 8.380 nan 0.000 0.424 175 T N 1.191 115.705 114.554 -0.067 0.000 2.720 175 T HA -0.103 4.246 4.350 -0.001 0.000 0.268 175 T C 1.873 176.536 174.700 -0.061 0.000 1.037 175 T CA 1.006 63.078 62.100 -0.045 0.000 1.144 175 T CB -0.047 68.796 68.868 -0.042 0.000 0.864 175 T HN 0.182 nan 8.240 nan 0.000 0.444 176 M N 1.155 120.696 119.600 -0.100 0.000 2.099 176 M HA 0.053 4.533 4.480 -0.001 0.000 0.262 176 M C 2.051 178.450 176.300 0.165 0.000 1.067 176 M CA 1.499 56.782 55.300 -0.027 0.000 1.124 176 M CB -0.998 31.547 32.600 -0.090 0.000 1.353 176 M HN 0.209 nan 8.290 nan 0.000 0.410 177 K N 0.419 120.894 120.400 0.125 0.000 2.288 177 K HA -0.028 4.292 4.320 -0.001 0.000 0.201 177 K C 1.878 178.583 176.600 0.174 0.000 1.048 177 K CA 1.432 57.820 56.287 0.167 0.000 0.956 177 K CB -0.218 32.349 32.500 0.112 0.000 0.746 177 K HN 0.396 nan 8.250 nan 0.000 0.461 178 S N 0.480 116.257 115.700 0.128 0.000 2.603 178 S HA -0.055 4.415 4.470 -0.001 0.000 0.220 178 S C 0.402 175.027 174.600 0.041 0.000 0.967 178 S CA 0.063 58.345 58.200 0.136 0.000 0.920 178 S CB -0.028 63.274 63.200 0.170 0.000 0.773 178 S HN 0.075 nan 8.310 nan 0.000 0.529 179 D N 2.147 122.568 120.400 0.035 0.000 2.468 179 D HA 0.425 5.065 4.640 -0.001 0.000 0.218 179 D C 0.083 176.327 176.300 -0.093 0.000 1.155 179 D CA -0.590 53.387 54.000 -0.039 0.000 0.924 179 D CB -0.109 40.752 40.800 0.102 0.000 1.029 179 D HN 0.616 nan 8.370 nan 0.000 0.515 180 I N -0.527 119.858 120.570 -0.309 0.000 3.522 180 I HA 0.740 4.910 4.170 -0.001 0.000 0.292 180 I C -0.145 175.631 176.117 -0.568 0.000 1.147 180 I CA -1.006 60.017 61.300 -0.461 0.000 1.032 180 I CB 1.792 39.425 38.000 -0.612 0.000 1.337 180 I HN 0.229 nan 8.210 nan 0.000 0.496 181 S N 0.141 115.542 115.700 -0.499 0.000 2.806 181 S HA 0.469 4.938 4.470 -0.001 0.000 0.306 181 S C 0.781 175.261 174.600 -0.201 0.000 1.167 181 S CA -0.446 57.603 58.200 -0.250 0.000 0.847 181 S CB 1.142 64.256 63.200 -0.143 0.000 1.216 181 S HN 0.922 nan 8.310 nan 0.000 0.532 182 I N -0.652 119.901 120.570 -0.028 0.000 3.010 182 I HA -0.019 4.150 4.170 -0.001 0.000 0.271 182 I C 1.697 177.729 176.117 -0.142 0.000 1.293 182 I CA 1.015 62.298 61.300 -0.029 0.000 1.452 182 I CB -0.783 37.206 38.000 -0.019 0.000 1.082 182 I HN 0.470 nan 8.210 nan 0.000 0.484 183 S N 1.013 116.583 115.700 -0.217 0.000 2.419 183 S HA -0.022 4.447 4.470 -0.001 0.000 0.235 183 S C 1.131 175.387 174.600 -0.574 0.000 1.019 183 S CA 0.748 58.748 58.200 -0.333 0.000 0.982 183 S CB -0.349 62.665 63.200 -0.310 0.000 0.789 183 S HN 0.362 nan 8.310 nan 0.000 0.490 184 V N 3.490 123.096 119.914 -0.513 0.000 2.287 184 V HA 0.083 4.202 4.120 -0.001 0.000 0.246 184 V C 1.381 177.351 176.094 -0.207 0.000 1.165 184 V CA 0.172 62.171 62.300 -0.503 0.000 1.088 184 V CB 0.014 31.446 31.823 -0.651 0.000 1.242 184 V HN 0.542 nan 8.190 nan 0.000 0.497 185 S N 3.046 118.662 115.700 -0.140 0.000 2.423 185 S HA -0.160 4.310 4.470 -0.001 0.000 0.231 185 S C 1.626 176.257 174.600 0.052 0.000 1.014 185 S CA 0.937 59.122 58.200 -0.025 0.000 0.965 185 S CB -0.143 63.055 63.200 -0.003 0.000 0.785 185 S HN 0.842 nan 8.310 nan 0.000 0.495 186 E N 1.105 121.365 120.200 0.099 0.000 2.409 186 E HA -0.056 4.294 4.350 -0.001 0.000 0.198 186 E C 1.404 178.064 176.600 0.100 0.000 1.024 186 E CA 0.499 56.965 56.400 0.110 0.000 0.861 186 E CB -0.444 29.345 29.700 0.147 0.000 0.788 186 E HN 0.511 nan 8.360 nan 0.000 0.521 187 L N 0.497 121.782 121.223 0.104 0.000 2.592 187 L HA 0.211 4.551 4.340 -0.001 0.000 0.227 187 L C 1.302 178.327 176.870 0.258 0.000 1.127 187 L CA 0.901 55.841 54.840 0.166 0.000 0.884 187 L CB 0.048 42.252 42.059 0.240 0.000 1.065 187 L HN 0.383 nan 8.230 nan 0.000 0.457 188 G N -0.343 108.561 108.800 0.174 0.000 2.552 188 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.265 188 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.265 188 G C -0.101 174.848 174.900 0.082 0.000 1.234 188 G CA -0.075 45.111 45.100 0.144 0.000 0.944 188 G HN 0.484 nan 8.290 nan 0.000 0.568 189 S N -1.658 113.978 115.700 -0.108 0.000 2.566 189 S HA 0.529 4.999 4.470 -0.001 0.000 0.273 189 S C 0.703 174.847 174.600 -0.761 0.000 1.157 189 S CA 0.540 58.489 58.200 -0.419 0.000 0.938 189 S CB 1.564 64.647 63.200 -0.195 0.000 1.087 189 S HN 1.956 nan 8.310 nan 0.000 0.474 190 L N 4.981 125.535 121.223 -1.114 0.000 1.994 190 L HA 0.129 4.468 4.340 -0.001 0.000 0.208 190 L C 1.685 178.270 176.870 -0.475 0.000 1.071 190 L CA 1.973 56.403 54.840 -0.684 0.000 0.745 190 L CB -0.738 41.073 42.059 -0.413 0.000 0.892 190 L HN 0.787 nan 8.230 nan 0.000 0.431 191 L N -0.263 120.763 121.223 -0.330 0.000 2.083 191 L HA -0.170 4.169 4.340 -0.001 0.000 0.209 191 L C 1.909 178.592 176.870 -0.312 0.000 1.083 191 L CA 1.540 56.244 54.840 -0.226 0.000 0.752 191 L CB -1.090 40.909 42.059 -0.100 0.000 0.899 191 L HN 0.343 nan 8.230 nan 0.000 0.433 192 D N -1.846 118.404 120.400 -0.251 0.000 2.355 192 D HA -0.037 4.603 4.640 -0.001 0.000 0.218 192 D C 0.165 176.441 176.300 -0.040 0.000 1.004 192 D CA 0.149 54.090 54.000 -0.099 0.000 0.880 192 D CB -0.137 40.632 40.800 -0.052 0.000 0.911 192 D HN 0.347 nan 8.370 nan 0.000 0.528 193 H N 0.014 119.073 119.070 -0.018 0.000 2.604 193 H HA -0.135 4.421 4.556 -0.001 0.000 0.321 193 H C 0.010 175.341 175.328 0.006 0.000 1.132 193 H CA 0.931 56.969 56.048 -0.016 0.000 1.129 193 H CB -2.175 27.558 29.762 -0.050 0.000 1.526 193 H HN 0.232 nan 8.280 nan 0.000 0.415 194 S N -1.779 113.960 115.700 0.066 0.000 2.638 194 S HA 0.766 5.236 4.470 -0.001 0.000 0.302 194 S C 1.025 175.685 174.600 0.101 0.000 1.096 194 S CA 0.204 58.446 58.200 0.069 0.000 0.953 194 S CB 3.439 66.660 63.200 0.035 0.000 1.107 194 S HN 1.047 nan 8.310 nan 0.000 0.503 195 G N 1.996 110.843 108.800 0.078 0.000 2.594 195 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.297 195 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.297 195 G C -1.855 173.087 174.900 0.070 0.000 1.273 195 G CA 0.213 45.359 45.100 0.077 0.000 0.974 195 G HN 0.681 nan 8.290 nan 0.000 0.552 196 P HA -0.051 nan 4.420 nan 0.000 0.221 196 P C 1.463 178.715 177.300 -0.079 0.000 1.145 196 P CA 1.734 64.816 63.100 -0.029 0.000 0.795 196 P CB -0.218 31.445 31.700 -0.063 0.000 0.775 197 H N -0.658 118.397 119.070 -0.024 0.000 2.357 197 H HA -0.077 4.478 4.556 -0.001 0.000 0.301 197 H C 2.053 177.376 175.328 -0.009 0.000 1.082 197 H CA 1.320 57.347 56.048 -0.035 0.000 1.342 197 H CB -0.082 29.646 29.762 -0.057 0.000 1.389 197 H HN 0.198 nan 8.280 nan 0.000 0.511 198 K N 1.338 121.811 120.400 0.123 0.000 2.057 198 K HA -0.142 4.177 4.320 -0.001 0.000 0.206 198 K C 1.885 178.505 176.600 0.033 0.000 1.050 198 K CA 1.292 57.620 56.287 0.068 0.000 0.935 198 K CB 0.144 32.680 32.500 0.059 0.000 0.715 198 K HN 0.348 nan 8.250 nan 0.000 0.439 199 E N 0.119 120.334 120.200 0.025 0.000 2.085 199 E HA -0.208 4.141 4.350 -0.001 0.000 0.194 199 E C 1.985 178.600 176.600 0.025 0.000 0.994 199 E CA 1.121 57.534 56.400 0.022 0.000 0.801 199 E CB -0.149 29.552 29.700 0.001 0.000 0.743 199 E HN 0.424 nan 8.360 nan 0.000 0.453 200 A N 1.569 124.368 122.820 -0.034 0.000 1.902 200 A HA -0.256 4.064 4.320 -0.001 0.000 0.217 200 A C 1.945 179.556 177.584 0.045 0.000 1.181 200 A CA 1.629 53.637 52.037 -0.048 0.000 0.623 200 A CB -0.443 18.480 19.000 -0.127 0.000 0.818 200 A HN 0.179 nan 8.150 nan 0.000 0.443 201 E N -0.384 119.829 120.200 0.022 0.000 2.077 201 E HA -0.223 4.127 4.350 -0.001 0.000 0.193 201 E C 2.289 178.895 176.600 0.010 0.000 0.989 201 E CA 1.402 57.795 56.400 -0.012 0.000 0.800 201 E CB -0.200 29.440 29.700 -0.100 0.000 0.746 201 E HN 0.740 nan 8.360 nan 0.000 0.452 202 Q N -0.353 119.464 119.800 0.028 0.000 2.119 202 Q HA -0.177 4.162 4.340 -0.001 0.000 0.201 202 Q C 1.905 177.968 176.000 0.105 0.000 0.972 202 Q CA 1.151 56.975 55.803 0.036 0.000 0.847 202 Q CB -0.184 28.569 28.738 0.025 0.000 0.903 202 Q HN 0.350 nan 8.270 nan 0.000 0.433 203 Y N 1.256 121.562 120.300 0.010 0.000 2.145 203 Y HA -0.227 4.323 4.550 -0.001 0.000 0.286 203 Y C 1.882 177.837 175.900 0.091 0.000 1.145 203 Y CA 1.411 59.531 58.100 0.034 0.000 1.148 203 Y CB -0.105 38.366 38.460 0.018 0.000 0.981 203 Y HN 0.000 nan 8.280 nan 0.000 0.507 204 I N -0.134 120.653 120.570 0.361 0.000 2.226 204 I HA -0.332 3.838 4.170 -0.001 0.000 0.245 204 I C 2.647 178.957 176.117 0.322 0.000 1.100 204 I CA 1.249 62.771 61.300 0.370 0.000 1.374 204 I CB -0.704 37.431 38.000 0.226 0.000 1.057 204 I HN 0.329 nan 8.210 nan 0.000 0.413 205 A N 0.572 123.495 122.820 0.171 0.000 1.902 205 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 205 A C 2.446 180.072 177.584 0.070 0.000 1.181 205 A CA 1.676 53.780 52.037 0.112 0.000 0.623 205 A CB -0.639 18.377 19.000 0.027 0.000 0.818 205 A HN 0.341 nan 8.150 nan 0.000 0.443 206 R N -0.339 120.181 120.500 0.034 0.000 2.073 206 R HA -0.109 4.230 4.340 -0.001 0.000 0.234 206 R C 1.946 178.230 176.300 -0.026 0.000 1.134 206 R CA 1.900 57.984 56.100 -0.027 0.000 0.952 206 R CB -0.431 29.819 30.300 -0.084 0.000 0.850 206 R HN 0.315 nan 8.270 nan 0.000 0.433 207 V N 0.293 120.213 119.914 0.010 0.000 2.407 207 V HA -0.200 3.920 4.120 -0.001 0.000 0.248 207 V C 1.551 177.642 176.094 -0.005 0.000 1.055 207 V CA 1.596 63.907 62.300 0.018 0.000 1.049 207 V CB -0.418 31.437 31.823 0.053 0.000 0.662 207 V HN 0.253 nan 8.190 nan 0.000 0.455 208 F N -0.291 119.641 119.950 -0.030 0.000 2.727 208 F HA 0.303 4.830 4.527 -0.001 0.000 0.302 208 F C 1.271 176.866 175.800 -0.342 0.000 1.097 208 F CA 0.209 58.067 58.000 -0.236 0.000 1.330 208 F CB -0.395 38.317 39.000 -0.481 0.000 1.084 208 F HN 0.235 nan 8.300 nan 0.000 0.578 209 N N 0.313 118.957 118.700 -0.093 0.000 2.780 209 N HA -0.190 4.550 4.740 -0.001 0.000 0.248 209 N C -0.567 174.888 175.510 -0.093 0.000 1.102 209 N CA 0.605 53.590 53.050 -0.108 0.000 0.697 209 N CB -1.046 37.352 38.487 -0.149 0.000 1.028 209 N HN 0.283 nan 8.380 nan 0.000 0.554 210 A N -0.777 122.004 122.820 -0.065 0.000 2.320 210 A HA 0.567 4.886 4.320 -0.001 0.000 0.334 210 A C 0.896 178.462 177.584 -0.031 0.000 1.147 210 A CA -0.254 51.764 52.037 -0.030 0.000 0.820 210 A CB 0.747 19.780 19.000 0.055 0.000 1.218 210 A HN 0.196 nan 8.150 nan 0.000 0.482 211 D N 0.002 120.374 120.400 -0.047 0.000 2.144 211 D HA 0.005 4.645 4.640 -0.001 0.000 0.200 211 D C 0.543 176.793 176.300 -0.084 0.000 0.978 211 D CA 1.432 55.393 54.000 -0.065 0.000 0.833 211 D CB 0.200 40.952 40.800 -0.081 0.000 0.961 211 D HN 0.485 nan 8.370 nan 0.000 0.470 212 R N -0.629 119.817 120.500 -0.091 0.000 2.584 212 R HA 0.429 4.768 4.340 -0.001 0.000 0.276 212 R C -1.409 174.819 176.300 -0.120 0.000 1.046 212 R CA -0.348 55.647 56.100 -0.174 0.000 0.906 212 R CB 2.134 32.296 30.300 -0.230 0.000 1.215 212 R HN -0.163 nan 8.270 nan 0.000 0.449 213 S N 1.722 117.292 115.700 -0.217 0.000 2.536 213 S HA 0.577 5.047 4.470 -0.001 0.000 0.287 213 S C -1.698 172.671 174.600 -0.385 0.000 1.101 213 S CA -0.546 57.582 58.200 -0.119 0.000 0.950 213 S CB 1.236 64.477 63.200 0.068 0.000 1.056 213 S HN 0.374 nan 8.310 nan 0.000 0.481 214 Y N 1.176 121.393 120.300 -0.138 0.000 2.446 214 Y HA 0.541 5.091 4.550 -0.001 0.000 0.345 214 Y C 0.131 176.021 175.900 -0.017 0.000 0.984 214 Y CA -0.900 57.133 58.100 -0.111 0.000 1.058 214 Y CB 1.293 39.681 38.460 -0.121 0.000 1.220 214 Y HN 0.421 nan 8.280 nan 0.000 0.455 215 M N 3.676 123.405 119.600 0.214 0.000 2.113 215 M HA 0.472 4.951 4.480 -0.001 0.000 0.352 215 M C -1.151 175.332 176.300 0.304 0.000 1.170 215 M CA -0.656 54.754 55.300 0.183 0.000 1.053 215 M CB 0.957 33.641 32.600 0.140 0.000 1.601 215 M HN 0.294 nan 8.290 nan 0.000 0.459 216 V N 2.518 122.550 119.914 0.197 0.000 2.513 216 V HA 0.375 4.494 4.120 -0.001 0.000 0.299 216 V C 0.794 176.938 176.094 0.082 0.000 1.035 216 V CA -0.406 61.985 62.300 0.153 0.000 0.889 216 V CB 1.878 33.762 31.823 0.103 0.000 0.988 216 V HN 0.955 nan 8.190 nan 0.000 0.440 217 T N -0.676 113.903 114.554 0.042 0.000 3.174 217 T HA 0.190 4.540 4.350 -0.001 0.000 0.269 217 T C 0.509 175.212 174.700 0.006 0.000 1.017 217 T CA -0.095 62.028 62.100 0.038 0.000 0.899 217 T CB -0.356 68.543 68.868 0.053 0.000 1.077 217 T HN 0.441 nan 8.240 nan 0.000 0.552 218 N N 1.038 119.736 118.700 -0.004 0.000 2.517 218 N HA 0.436 5.176 4.740 -0.001 0.000 0.285 218 N C 0.469 175.977 175.510 -0.003 0.000 1.528 218 N CA 0.691 53.733 53.050 -0.013 0.000 0.892 218 N CB 0.592 39.069 38.487 -0.018 0.000 1.356 218 N HN 0.709 nan 8.380 nan 0.000 0.495 219 G N -0.572 108.238 108.800 0.017 0.000 2.829 219 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.628 219 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.628 219 G C 0.687 175.595 174.900 0.014 0.000 1.412 219 G CA -0.096 45.034 45.100 0.051 0.000 0.864 219 G HN 0.138 nan 8.290 nan 0.000 0.544 220 T N 0.751 115.298 114.554 -0.013 0.000 2.962 220 T HA -0.023 4.326 4.350 -0.001 0.000 0.270 220 T C 2.743 177.404 174.700 -0.066 0.000 1.088 220 T CA 1.917 63.973 62.100 -0.074 0.000 1.127 220 T CB -0.252 68.518 68.868 -0.165 0.000 0.883 220 T HN 0.673 nan 8.240 nan 0.000 0.493 221 S N 1.215 116.893 115.700 -0.036 0.000 2.374 221 S HA -0.152 4.318 4.470 -0.001 0.000 0.227 221 S C 2.301 176.898 174.600 -0.005 0.000 1.037 221 S CA 1.666 59.889 58.200 0.040 0.000 1.024 221 S CB -0.490 62.772 63.200 0.103 0.000 0.861 221 S HN 0.567 nan 8.310 nan 0.000 0.456 222 T N 1.692 116.221 114.554 -0.042 0.000 2.894 222 T HA 0.179 4.529 4.350 -0.001 0.000 0.258 222 T C 2.198 176.797 174.700 -0.168 0.000 1.043 222 T CA 0.865 62.895 62.100 -0.115 0.000 1.141 222 T CB -0.445 68.381 68.868 -0.071 0.000 0.873 222 T HN 0.419 nan 8.240 nan 0.000 0.449 223 A N 2.344 125.107 122.820 -0.095 0.000 1.917 223 A HA -0.222 4.097 4.320 -0.001 0.000 0.219 223 A C 2.087 179.589 177.584 -0.137 0.000 1.182 223 A CA 2.036 54.017 52.037 -0.093 0.000 0.633 223 A CB -1.021 17.951 19.000 -0.047 0.000 0.819 223 A HN 0.622 nan 8.150 nan 0.000 0.448 224 N N -0.645 118.013 118.700 -0.069 0.000 2.149 224 N HA -0.167 4.573 4.740 -0.001 0.000 0.188 224 N C 1.711 177.161 175.510 -0.100 0.000 1.019 224 N CA 1.491 54.547 53.050 0.010 0.000 0.857 224 N CB -0.138 38.410 38.487 0.101 0.000 0.997 224 N HN 0.532 nan 8.380 nan 0.000 0.426 225 K N 0.545 120.818 120.400 -0.212 0.000 2.116 225 K HA 0.029 4.348 4.320 -0.001 0.000 0.203 225 K C 1.914 178.245 176.600 -0.448 0.000 1.052 225 K CA 0.608 56.692 56.287 -0.338 0.000 0.952 225 K CB 0.035 32.226 32.500 -0.515 0.000 0.729 225 K HN 0.180 nan 8.250 nan 0.000 0.446 226 I N 0.911 121.191 120.570 -0.484 0.000 2.163 226 I HA -0.295 3.875 4.170 -0.001 0.000 0.243 226 I C 2.260 178.101 176.117 -0.460 0.000 1.085 226 I CA 1.181 62.239 61.300 -0.404 0.000 1.347 226 I CB -0.353 37.459 38.000 -0.313 0.000 1.044 226 I HN -0.097 nan 8.210 nan 0.000 0.408 227 V N 0.995 120.649 119.914 -0.433 0.000 2.295 227 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 227 V C 2.578 178.421 176.094 -0.418 0.000 1.049 227 V CA 2.247 64.229 62.300 -0.529 0.000 1.024 227 V CB -1.460 29.874 31.823 -0.815 0.000 0.648 227 V HN 0.590 nan 8.190 nan 0.000 0.447 228 G N -0.897 107.734 108.800 -0.281 0.000 2.421 228 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.216 228 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.216 228 G C 1.619 176.374 174.900 -0.241 0.000 1.171 228 G CA 1.026 45.992 45.100 -0.222 0.000 0.775 228 G HN 0.400 nan 8.290 nan 0.000 0.543 229 M N -0.897 118.595 119.600 -0.180 0.000 2.175 229 M HA 0.012 4.492 4.480 -0.001 0.000 0.264 229 M C 2.390 178.607 176.300 -0.139 0.000 1.063 229 M CA 1.088 56.315 55.300 -0.121 0.000 1.119 229 M CB -0.389 32.196 32.600 -0.025 0.000 1.377 229 M HN 0.376 nan 8.290 nan 0.000 0.415 230 Y N 0.613 120.727 120.300 -0.309 0.000 2.207 230 Y HA -0.243 4.306 4.550 -0.001 0.000 0.287 230 Y C 2.236 178.020 175.900 -0.193 0.000 1.156 230 Y CA 1.921 59.861 58.100 -0.267 0.000 1.182 230 Y CB 0.023 38.254 38.460 -0.381 0.000 0.979 230 Y HN 0.115 nan 8.280 nan 0.000 0.521 231 S N -0.710 114.806 115.700 -0.307 0.000 2.503 231 S HA 0.364 4.834 4.470 -0.001 0.000 0.217 231 S C 0.504 174.902 174.600 -0.336 0.000 0.999 231 S CA 0.306 58.266 58.200 -0.399 0.000 0.914 231 S CB 0.341 63.046 63.200 -0.825 0.000 0.782 231 S HN 0.430 nan 8.310 nan 0.000 0.520 232 A N 2.704 125.354 122.820 -0.283 0.000 2.943 232 A HA 0.620 4.940 4.320 -0.001 0.000 0.327 232 A C -3.012 174.480 177.584 -0.153 0.000 1.141 232 A CA -1.450 50.481 52.037 -0.177 0.000 0.773 232 A CB 0.402 19.324 19.000 -0.129 0.000 1.143 232 A HN 0.069 nan 8.150 nan 0.000 0.463 233 P HA 0.369 nan 4.420 nan 0.000 0.272 233 P C 0.447 177.671 177.300 -0.126 0.000 1.240 233 P CA -0.118 62.905 63.100 -0.130 0.000 0.791 233 P CB 0.662 32.293 31.700 -0.114 0.000 0.978 234 A N 1.133 123.874 122.820 -0.132 0.000 2.531 234 A HA 0.395 4.714 4.320 -0.001 0.000 0.236 234 A C 1.523 179.037 177.584 -0.117 0.000 1.062 234 A CA 0.871 52.814 52.037 -0.156 0.000 0.760 234 A CB -1.474 17.434 19.000 -0.153 0.000 0.995 234 A HN 0.904 nan 8.150 nan 0.000 0.501 235 G N 0.745 109.473 108.800 -0.120 0.000 2.225 235 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.254 235 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.254 235 G C 0.681 175.538 174.900 -0.073 0.000 0.988 235 G CA 1.027 46.079 45.100 -0.081 0.000 0.625 235 G HN 2.207 nan 8.290 nan 0.000 0.527 236 S N -0.311 115.337 115.700 -0.086 0.000 2.669 236 S HA 0.742 5.212 4.470 -0.001 0.000 0.270 236 S C 0.051 174.596 174.600 -0.092 0.000 1.225 236 S CA 0.569 58.724 58.200 -0.075 0.000 0.991 236 S CB 2.002 65.160 63.200 -0.071 0.000 0.987 236 S HN 0.570 nan 8.310 nan 0.000 0.552 237 T N 1.627 116.121 114.554 -0.100 0.000 2.859 237 T HA 0.632 4.982 4.350 -0.001 0.000 0.281 237 T C -0.108 174.490 174.700 -0.169 0.000 1.005 237 T CA -0.571 61.439 62.100 -0.149 0.000 1.025 237 T CB 0.516 69.279 68.868 -0.176 0.000 0.977 237 T HN 0.748 nan 8.240 nan 0.000 0.458 238 I N -0.025 120.420 120.570 -0.209 0.000 2.689 238 I HA 0.669 4.838 4.170 -0.001 0.000 0.299 238 I C -1.244 174.648 176.117 -0.375 0.000 1.059 238 I CA -1.322 59.847 61.300 -0.217 0.000 1.055 238 I CB 1.562 39.497 38.000 -0.109 0.000 1.243 238 I HN 0.426 nan 8.210 nan 0.000 0.425 239 L N 6.008 126.962 121.223 -0.448 0.000 2.275 239 L HA 0.598 4.937 4.340 -0.001 0.000 0.288 239 L C -0.542 175.971 176.870 -0.595 0.000 1.046 239 L CA -0.475 53.929 54.840 -0.726 0.000 0.805 239 L CB 1.614 43.065 42.059 -1.014 0.000 1.193 239 L HN 0.626 nan 8.230 nan 0.000 0.426 240 I N 2.549 122.784 120.570 -0.559 0.000 2.533 240 I HA 0.277 4.447 4.170 -0.001 0.000 0.290 240 I C -0.531 175.627 176.117 0.068 0.000 1.056 240 I CA -0.611 60.571 61.300 -0.196 0.000 1.057 240 I CB 1.939 39.835 38.000 -0.174 0.000 1.240 240 I HN 0.465 nan 8.210 nan 0.000 0.423 241 D N 5.427 125.985 120.400 0.264 0.000 2.472 241 D HA -0.049 4.591 4.640 -0.001 0.000 0.248 241 D C 1.091 177.559 176.300 0.280 0.000 1.174 241 D CA 0.357 54.552 54.000 0.324 0.000 0.883 241 D CB 1.119 42.058 40.800 0.232 0.000 1.149 241 D HN 0.539 nan 8.370 nan 0.000 0.488 242 R N 3.189 123.856 120.500 0.278 0.000 2.159 242 R HA -0.137 4.202 4.340 -0.001 0.000 0.237 242 R C 0.479 176.845 176.300 0.110 0.000 1.131 242 R CA 0.768 56.962 56.100 0.157 0.000 0.982 242 R CB -0.293 30.041 30.300 0.057 0.000 0.868 242 R HN 0.267 nan 8.270 nan 0.000 0.453 243 N N 0.439 119.220 118.700 0.135 0.000 2.895 243 N HA 0.036 4.775 4.740 -0.001 0.000 0.277 243 N C -1.419 174.178 175.510 0.146 0.000 1.185 243 N CA -0.265 52.859 53.050 0.124 0.000 1.106 243 N CB -0.319 38.248 38.487 0.133 0.000 1.422 243 N HN 0.331 nan 8.380 nan 0.000 0.521 244 C N 1.381 120.756 119.300 0.126 0.000 2.507 244 C HA 0.513 4.973 4.460 -0.001 0.000 0.319 244 C C 0.555 175.616 174.990 0.118 0.000 1.208 244 C CA -1.402 57.692 59.018 0.128 0.000 1.619 244 C CB 0.762 28.575 27.740 0.120 0.000 2.230 244 C HN 0.603 nan 8.230 nan 0.000 0.492 245 H N 1.698 120.790 119.070 0.037 0.000 2.771 245 H HA 0.069 4.625 4.556 -0.001 0.000 0.364 245 H C 1.039 176.353 175.328 -0.024 0.000 1.133 245 H CA 0.842 56.900 56.048 0.017 0.000 1.423 245 H CB 0.991 30.747 29.762 -0.010 0.000 1.425 245 H HN 0.921 nan 8.280 nan 0.000 0.606 246 K N 2.030 122.057 120.400 -0.621 0.000 2.160 246 K HA -0.179 4.141 4.320 -0.001 0.000 0.206 246 K C 2.157 178.491 176.600 -0.443 0.000 1.047 246 K CA 1.822 57.805 56.287 -0.506 0.000 0.930 246 K CB -0.423 31.765 32.500 -0.520 0.000 0.720 246 K HN 0.617 nan 8.250 nan 0.000 0.450 247 S N -0.162 115.477 115.700 -0.101 0.000 2.419 247 S HA -0.145 4.324 4.470 -0.001 0.000 0.235 247 S C 1.914 176.557 174.600 0.072 0.000 1.019 247 S CA 1.275 59.551 58.200 0.127 0.000 0.982 247 S CB -0.476 62.904 63.200 0.299 0.000 0.789 247 S HN 0.331 nan 8.310 nan 0.000 0.490 248 L N 0.856 122.110 121.223 0.052 0.000 2.209 248 L HA 0.012 4.352 4.340 -0.001 0.000 0.207 248 L C 2.881 179.764 176.870 0.023 0.000 1.094 248 L CA 1.163 56.036 54.840 0.054 0.000 0.790 248 L CB -0.972 41.131 42.059 0.074 0.000 0.932 248 L HN 0.305 nan 8.230 nan 0.000 0.447 249 T N -1.543 112.983 114.554 -0.046 0.000 2.684 249 T HA -0.230 4.120 4.350 -0.001 0.000 0.267 249 T C 1.704 176.388 174.700 -0.027 0.000 1.036 249 T CA 1.649 63.716 62.100 -0.056 0.000 1.148 249 T CB -0.399 68.383 68.868 -0.144 0.000 0.863 249 T HN 0.460 nan 8.240 nan 0.000 0.436 250 H N 0.220 119.271 119.070 -0.031 0.000 2.352 250 H HA -0.041 4.515 4.556 -0.001 0.000 0.299 250 H C 2.292 177.597 175.328 -0.038 0.000 1.097 250 H CA 1.084 57.089 56.048 -0.071 0.000 1.311 250 H CB -0.218 29.506 29.762 -0.062 0.000 1.377 250 H HN 0.098 nan 8.280 nan 0.000 0.504 251 L N 0.728 122.020 121.223 0.115 0.000 2.013 251 L HA -0.244 4.096 4.340 -0.001 0.000 0.212 251 L C 2.146 179.057 176.870 0.068 0.000 1.073 251 L CA 1.756 56.637 54.840 0.067 0.000 0.753 251 L CB -0.478 41.607 42.059 0.044 0.000 0.890 251 L HN 0.293 nan 8.230 nan 0.000 0.432 252 M N -1.722 117.918 119.600 0.067 0.000 2.213 252 M HA -0.235 4.245 4.480 -0.001 0.000 0.263 252 M C 2.221 178.609 176.300 0.146 0.000 1.062 252 M CA 1.892 57.239 55.300 0.078 0.000 1.105 252 M CB -0.331 32.310 32.600 0.069 0.000 1.385 252 M HN 0.330 nan 8.290 nan 0.000 0.417 253 M N -0.857 118.812 119.600 0.116 0.000 2.394 253 M HA -0.111 4.369 4.480 -0.001 0.000 0.264 253 M C 1.803 178.232 176.300 0.214 0.000 1.073 253 M CA 1.341 56.704 55.300 0.105 0.000 1.111 253 M CB -0.133 32.377 32.600 -0.149 0.000 1.401 253 M HN 0.301 nan 8.290 nan 0.000 0.448 254 M N -1.782 117.937 119.600 0.197 0.000 2.492 254 M HA 0.103 4.582 4.480 -0.001 0.000 0.255 254 M C -0.002 176.471 176.300 0.290 0.000 1.139 254 M CA 0.218 55.664 55.300 0.242 0.000 1.096 254 M CB 0.616 33.291 32.600 0.124 0.000 1.360 254 M HN -0.129 nan 8.290 nan 0.000 0.480 255 S N 0.775 116.577 115.700 0.169 0.000 2.473 255 S HA 0.186 4.656 4.470 -0.001 0.000 0.307 255 S C -0.594 173.784 174.600 -0.369 0.000 1.094 255 S CA -0.787 57.366 58.200 -0.078 0.000 1.070 255 S CB 1.562 64.723 63.200 -0.065 0.000 1.019 255 S HN 0.119 nan 8.310 nan 0.000 0.480 256 D N 3.311 123.225 120.400 -0.808 0.000 2.600 256 D HA 0.246 4.886 4.640 -0.001 0.000 0.226 256 D C -0.044 176.023 176.300 -0.389 0.000 1.119 256 D CA -0.168 53.212 54.000 -1.034 0.000 1.051 256 D CB -0.525 39.654 40.800 -1.034 0.000 1.106 256 D HN 0.320 nan 8.370 nan 0.000 0.491 257 V N -0.401 119.376 119.914 -0.227 0.000 3.074 257 V HA 0.713 4.832 4.120 -0.001 0.000 0.314 257 V C 0.143 176.182 176.094 -0.092 0.000 1.117 257 V CA -0.829 61.388 62.300 -0.137 0.000 1.014 257 V CB 1.973 33.727 31.823 -0.115 0.000 1.057 257 V HN 0.096 nan 8.190 nan 0.000 0.438 258 T N 4.423 118.914 114.554 -0.104 0.000 2.772 258 T HA 0.550 4.900 4.350 -0.001 0.000 0.288 258 T C -2.736 171.855 174.700 -0.182 0.000 0.994 258 T CA -0.842 61.194 62.100 -0.107 0.000 0.951 258 T CB 1.414 70.226 68.868 -0.093 0.000 0.933 258 T HN 0.800 nan 8.240 nan 0.000 0.447 259 P HA 0.500 nan 4.420 nan 0.000 0.288 259 P C -0.849 176.139 177.300 -0.519 0.000 1.267 259 P CA -0.592 62.237 63.100 -0.452 0.000 0.815 259 P CB 1.193 32.514 31.700 -0.632 0.000 0.989 260 I N 3.204 123.428 120.570 -0.576 0.000 2.433 260 I HA 0.296 4.466 4.170 -0.001 0.000 0.292 260 I C -0.247 175.492 176.117 -0.631 0.000 1.001 260 I CA -1.009 59.990 61.300 -0.501 0.000 1.119 260 I CB 1.234 38.995 38.000 -0.397 0.000 1.289 260 I HN 0.263 nan 8.210 nan 0.000 0.438 261 Y N 5.299 125.464 120.300 -0.225 0.000 2.320 261 Y HA 0.369 4.919 4.550 -0.001 0.000 0.334 261 Y C 0.038 175.834 175.900 -0.173 0.000 1.055 261 Y CA -0.339 57.650 58.100 -0.186 0.000 1.143 261 Y CB 0.733 39.145 38.460 -0.079 0.000 1.193 261 Y HN 0.324 nan 8.280 nan 0.000 0.477 262 F N 4.234 124.190 119.950 0.010 0.000 2.484 262 F HA 0.278 4.805 4.527 -0.001 0.000 0.360 262 F C 0.575 176.371 175.800 -0.007 0.000 1.101 262 F CA -0.449 57.502 58.000 -0.083 0.000 1.251 262 F CB 0.587 39.505 39.000 -0.137 0.000 1.132 262 F HN 0.253 nan 8.300 nan 0.000 0.570 263 R N 3.832 124.432 120.500 0.167 0.000 2.239 263 R HA 0.351 4.691 4.340 -0.001 0.000 0.332 263 R C -2.826 173.517 176.300 0.071 0.000 0.988 263 R CA -2.071 54.087 56.100 0.097 0.000 0.859 263 R CB 0.738 31.070 30.300 0.052 0.000 1.148 263 R HN 0.251 nan 8.270 nan 0.000 0.482 264 P HA 0.077 nan 4.420 nan 0.000 0.272 264 P C 0.272 177.583 177.300 0.017 0.000 1.240 264 P CA -0.163 62.973 63.100 0.060 0.000 0.791 264 P CB 0.538 32.278 31.700 0.067 0.000 0.978 265 T N -1.467 113.077 114.554 -0.016 0.000 2.852 265 T HA 0.727 5.077 4.350 -0.001 0.000 0.281 265 T C 0.115 174.850 174.700 0.059 0.000 0.993 265 T CA -0.748 61.357 62.100 0.008 0.000 0.933 265 T CB 0.778 69.641 68.868 -0.008 0.000 1.187 265 T HN 0.692 nan 8.240 nan 0.000 0.559 266 R N -0.163 120.482 120.500 0.242 0.000 2.712 266 R HA 0.490 4.829 4.340 -0.001 0.000 0.272 266 R C -1.585 175.038 176.300 0.537 0.000 1.032 266 R CA -0.979 55.346 56.100 0.374 0.000 0.874 266 R CB 0.798 31.142 30.300 0.073 0.000 1.256 266 R HN 0.780 nan 8.270 nan 0.000 0.468 267 N N 0.171 119.066 118.700 0.324 0.000 2.592 267 N HA 0.405 5.144 4.740 -0.001 0.000 0.292 267 N C 0.527 176.080 175.510 0.071 0.000 1.260 267 N CA -0.305 52.778 53.050 0.055 0.000 0.910 267 N CB 1.071 39.342 38.487 -0.361 0.000 1.257 267 N HN 0.677 nan 8.380 nan 0.000 0.569 268 A N -0.925 121.846 122.820 -0.082 0.000 2.015 268 A HA -0.076 4.243 4.320 -0.001 0.000 0.219 268 A C 1.279 178.796 177.584 -0.112 0.000 1.163 268 A CA 0.899 52.856 52.037 -0.135 0.000 0.646 268 A CB -1.185 17.647 19.000 -0.279 0.000 0.806 268 A HN 0.643 nan 8.150 nan 0.000 0.448 269 Y N -0.564 119.702 120.300 -0.057 0.000 2.497 269 Y HA 0.147 4.697 4.550 -0.001 0.000 0.292 269 Y C 2.089 177.943 175.900 -0.076 0.000 1.137 269 Y CA 0.657 58.722 58.100 -0.060 0.000 1.285 269 Y CB -0.349 38.010 38.460 -0.168 0.000 0.991 269 Y HN 0.488 nan 8.280 nan 0.000 0.556 270 G N -0.039 108.794 108.800 0.054 0.000 2.157 270 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.239 270 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.239 270 G C 0.158 175.000 174.900 -0.097 0.000 0.982 270 G CA 0.002 45.077 45.100 -0.041 0.000 0.650 270 G HN 0.267 nan 8.290 nan 0.000 0.527 271 I N 1.076 121.595 120.570 -0.085 0.000 2.496 271 I HA 0.300 4.470 4.170 -0.001 0.000 0.285 271 I C 1.014 177.178 176.117 0.079 0.000 1.080 271 I CA -0.732 60.493 61.300 -0.124 0.000 1.404 271 I CB 0.781 38.541 38.000 -0.399 0.000 1.403 271 I HN -0.005 nan 8.210 nan 0.000 0.539 272 L N 5.822 127.074 121.223 0.047 0.000 2.426 272 L HA 0.316 4.655 4.340 -0.001 0.000 0.271 272 L C 0.840 177.789 176.870 0.131 0.000 1.169 272 L CA 0.682 55.570 54.840 0.081 0.000 0.836 272 L CB 0.693 42.760 42.059 0.013 0.000 1.112 272 L HN 0.699 nan 8.230 nan 0.000 0.465 273 G N 1.119 109.877 108.800 -0.070 0.000 2.705 273 G HA2 0.603 4.562 3.960 -0.001 0.000 0.299 273 G HA3 0.603 4.562 3.960 -0.001 0.000 0.299 273 G C -0.327 174.365 174.900 -0.347 0.000 1.315 273 G CA -0.420 44.294 45.100 -0.644 0.000 1.045 273 G HN 0.818 nan 8.290 nan 0.000 0.517 274 G N -1.231 107.303 108.800 -0.443 0.000 2.539 274 G HA2 0.433 4.392 3.960 -0.001 0.000 0.258 274 G HA3 0.433 4.392 3.960 -0.001 0.000 0.258 274 G C 0.113 175.067 174.900 0.091 0.000 1.202 274 G CA -0.671 44.289 45.100 -0.233 0.000 0.851 274 G HN 0.598 nan 8.290 nan 0.000 0.556 275 I N 2.522 123.314 120.570 0.370 0.000 2.742 275 I HA 0.017 4.186 4.170 -0.001 0.000 0.287 275 I C -1.691 174.651 176.117 0.375 0.000 1.186 275 I CA -0.869 60.577 61.300 0.242 0.000 1.417 275 I CB 0.732 38.739 38.000 0.012 0.000 1.377 275 I HN 0.231 nan 8.210 nan 0.000 0.556 276 P HA 0.010 nan 4.420 nan 0.000 0.269 276 P C 0.071 177.396 177.300 0.043 0.000 1.215 276 P CA -0.184 62.946 63.100 0.050 0.000 0.780 276 P CB 0.469 32.164 31.700 -0.008 0.000 0.898 277 Q N 0.806 120.490 119.800 -0.193 0.000 2.234 277 Q HA -0.154 4.186 4.340 -0.001 0.000 0.206 277 Q C 1.841 178.027 176.000 0.311 0.000 0.980 277 Q CA 1.884 57.722 55.803 0.059 0.000 0.869 277 Q CB -0.416 28.019 28.738 -0.505 0.000 0.912 277 Q HN 0.591 nan 8.270 nan 0.000 0.436 278 S N 0.626 116.395 115.700 0.115 0.000 2.423 278 S HA -0.118 4.351 4.470 -0.001 0.000 0.231 278 S C 1.582 176.237 174.600 0.093 0.000 1.014 278 S CA 0.643 58.914 58.200 0.118 0.000 0.965 278 S CB -0.027 63.209 63.200 0.061 0.000 0.785 278 S HN 0.262 nan 8.310 nan 0.000 0.495 279 E N 0.660 120.846 120.200 -0.023 0.000 2.268 279 E HA -0.011 4.339 4.350 -0.001 0.000 0.195 279 E C 0.883 177.399 176.600 -0.140 0.000 0.995 279 E CA 0.747 57.064 56.400 -0.139 0.000 0.836 279 E CB -0.284 29.230 29.700 -0.310 0.000 0.763 279 E HN 0.731 nan 8.360 nan 0.000 0.491 280 F N 0.821 120.894 119.950 0.205 0.000 2.776 280 F HA 0.139 4.665 4.527 -0.001 0.000 0.300 280 F C 1.145 177.047 175.800 0.170 0.000 1.116 280 F CA 0.051 58.167 58.000 0.192 0.000 1.375 280 F CB 0.197 39.277 39.000 0.132 0.000 1.109 280 F HN -0.208 nan 8.300 nan 0.000 0.585 281 Q N -0.193 119.791 119.800 0.307 0.000 2.259 281 Q HA 0.066 4.406 4.340 -0.001 0.000 0.246 281 Q C 1.287 177.454 176.000 0.278 0.000 0.920 281 Q CA -0.404 55.560 55.803 0.269 0.000 0.895 281 Q CB 1.040 29.919 28.738 0.235 0.000 1.220 281 Q HN 0.170 nan 8.270 nan 0.000 0.439 282 H N 1.988 121.193 119.070 0.225 0.000 2.319 282 H HA -0.195 4.361 4.556 -0.001 0.000 0.297 282 H C 1.520 177.007 175.328 0.266 0.000 1.097 282 H CA 2.182 58.412 56.048 0.304 0.000 1.285 282 H CB 0.297 30.171 29.762 0.186 0.000 1.368 282 H HN 0.810 nan 8.280 nan 0.000 0.495 283 A N -0.222 122.805 122.820 0.344 0.000 1.933 283 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 283 A C 2.675 180.355 177.584 0.159 0.000 1.175 283 A CA 1.940 54.124 52.037 0.245 0.000 0.628 283 A CB -0.864 18.239 19.000 0.172 0.000 0.814 283 A HN 0.524 nan 8.150 nan 0.000 0.444 284 T N 0.404 115.037 114.554 0.133 0.000 2.708 284 T HA -0.092 4.258 4.350 -0.001 0.000 0.266 284 T C 1.796 176.509 174.700 0.022 0.000 1.037 284 T CA 1.576 63.720 62.100 0.073 0.000 1.146 284 T CB -0.403 68.507 68.868 0.070 0.000 0.865 284 T HN 0.445 nan 8.240 nan 0.000 0.435 285 I N 1.448 122.016 120.570 -0.002 0.000 2.202 285 I HA -0.148 4.022 4.170 -0.001 0.000 0.242 285 I C 2.967 179.015 176.117 -0.115 0.000 1.091 285 I CA 1.081 62.278 61.300 -0.171 0.000 1.368 285 I CB -0.550 37.218 38.000 -0.386 0.000 1.058 285 I HN 0.177 nan 8.210 nan 0.000 0.410 286 A N 0.906 123.786 122.820 0.099 0.000 1.908 286 A HA -0.303 4.017 4.320 -0.001 0.000 0.218 286 A C 2.381 180.026 177.584 0.101 0.000 1.181 286 A CA 2.272 54.439 52.037 0.217 0.000 0.627 286 A CB -0.621 18.550 19.000 0.286 0.000 0.818 286 A HN 0.395 nan 8.150 nan 0.000 0.445 287 K N -0.516 119.927 120.400 0.072 0.000 2.057 287 K HA -0.140 4.179 4.320 -0.001 0.000 0.207 287 K C 2.272 178.876 176.600 0.007 0.000 1.049 287 K CA 1.400 57.714 56.287 0.043 0.000 0.931 287 K CB -0.173 32.352 32.500 0.043 0.000 0.714 287 K HN 0.450 nan 8.250 nan 0.000 0.440 288 R N 0.152 120.635 120.500 -0.028 0.000 2.092 288 R HA -0.076 4.264 4.340 -0.001 0.000 0.231 288 R C 2.290 178.544 176.300 -0.076 0.000 1.119 288 R CA 1.319 57.382 56.100 -0.062 0.000 0.970 288 R CB -0.386 29.850 30.300 -0.107 0.000 0.864 288 R HN 0.072 nan 8.270 nan 0.000 0.440 289 V N 1.805 121.666 119.914 -0.089 0.000 2.287 289 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 289 V C 2.472 178.556 176.094 -0.017 0.000 1.053 289 V CA 1.904 64.162 62.300 -0.071 0.000 1.027 289 V CB -0.512 31.289 31.823 -0.038 0.000 0.646 289 V HN 0.337 nan 8.190 nan 0.000 0.447 290 K N 0.031 120.438 120.400 0.012 0.000 2.103 290 K HA -0.219 4.100 4.320 -0.001 0.000 0.207 290 K C 1.910 178.514 176.600 0.007 0.000 1.048 290 K CA 1.899 58.199 56.287 0.021 0.000 0.930 290 K CB -0.088 32.433 32.500 0.035 0.000 0.716 290 K HN 0.585 nan 8.250 nan 0.000 0.444 291 E N -0.217 119.981 120.200 -0.002 0.000 2.478 291 E HA 0.000 4.350 4.350 -0.001 0.000 0.194 291 E C -0.456 176.138 176.600 -0.010 0.000 1.045 291 E CA 0.297 56.695 56.400 -0.003 0.000 0.868 291 E CB 0.665 30.363 29.700 -0.003 0.000 0.885 291 E HN 0.123 nan 8.360 nan 0.000 0.505 292 T N 2.943 117.484 114.554 -0.022 0.000 2.756 292 T HA 0.268 4.617 4.350 -0.001 0.000 0.290 292 T C -2.539 172.147 174.700 -0.022 0.000 0.985 292 T CA -1.810 60.273 62.100 -0.028 0.000 0.955 292 T CB 1.407 70.240 68.868 -0.058 0.000 0.930 292 T HN -0.156 nan 8.240 nan 0.000 0.451 293 P HA 0.136 nan 4.420 nan 0.000 0.264 293 P C 0.324 177.616 177.300 -0.013 0.000 1.193 293 P CA 0.309 63.405 63.100 -0.007 0.000 0.763 293 P CB 0.082 31.782 31.700 0.000 0.000 0.810 294 N N -0.716 117.977 118.700 -0.011 0.000 2.936 294 N HA -0.218 4.521 4.740 -0.001 0.000 0.236 294 N C 0.034 175.528 175.510 -0.026 0.000 0.930 294 N CA 0.608 53.649 53.050 -0.014 0.000 0.966 294 N CB -1.512 36.968 38.487 -0.012 0.000 1.090 294 N HN 0.547 nan 8.380 nan 0.000 0.592 295 A N 0.698 123.497 122.820 -0.035 0.000 2.407 295 A HA 0.576 4.896 4.320 -0.001 0.000 0.248 295 A C 0.904 178.471 177.584 -0.028 0.000 1.082 295 A CA 0.967 52.971 52.037 -0.055 0.000 0.785 295 A CB 0.378 19.331 19.000 -0.079 0.000 1.020 295 A HN 0.347 nan 8.150 nan 0.000 0.489 296 T N -1.209 113.326 114.554 -0.031 0.000 2.831 296 T HA 0.497 4.847 4.350 -0.001 0.000 0.287 296 T C -0.162 174.559 174.700 0.035 0.000 1.070 296 T CA -0.702 61.416 62.100 0.030 0.000 1.010 296 T CB 0.729 69.621 68.868 0.040 0.000 1.264 296 T HN 0.801 nan 8.240 nan 0.000 0.532 297 W N 3.008 124.279 121.300 -0.048 0.000 2.347 297 W HA 0.243 4.903 4.660 -0.001 0.000 0.333 297 W C -2.459 174.025 176.519 -0.058 0.000 1.383 297 W CA -1.293 56.017 57.345 -0.059 0.000 1.283 297 W CB 0.004 29.442 29.460 -0.038 0.000 1.253 297 W HN 0.449 nan 8.180 nan 0.000 0.563 298 P HA -0.109 nan 4.420 nan 0.000 0.265 298 P C 0.685 177.895 177.300 -0.150 0.000 1.193 298 P CA 0.371 63.214 63.100 -0.428 0.000 0.765 298 P CB 0.618 31.970 31.700 -0.579 0.000 0.823 299 V N -0.428 119.470 119.914 -0.027 0.000 3.506 299 V HA 0.213 4.332 4.120 -0.001 0.000 0.263 299 V C 0.365 176.549 176.094 0.149 0.000 1.203 299 V CA 0.831 63.178 62.300 0.078 0.000 1.133 299 V CB -1.174 30.677 31.823 0.046 0.000 0.802 299 V HN 0.572 nan 8.190 nan 0.000 0.459 300 H N -0.175 118.874 119.070 -0.036 0.000 3.086 300 H HA 0.759 5.315 4.556 -0.001 0.000 0.353 300 H C -0.997 174.305 175.328 -0.044 0.000 1.134 300 H CA 0.118 56.167 56.048 0.003 0.000 1.248 300 H CB 1.756 31.520 29.762 0.004 0.000 1.878 300 H HN 0.397 nan 8.280 nan 0.000 0.527 301 A N 3.798 126.373 122.820 -0.408 0.000 2.393 301 A HA 0.680 5.000 4.320 -0.001 0.000 0.306 301 A C -1.436 175.913 177.584 -0.392 0.000 1.050 301 A CA -0.583 51.282 52.037 -0.287 0.000 0.724 301 A CB 1.419 20.423 19.000 0.006 0.000 1.248 301 A HN 0.426 nan 8.150 nan 0.000 0.424 302 V N 3.166 122.951 119.914 -0.214 0.000 2.444 302 V HA 0.521 4.641 4.120 -0.001 0.000 0.294 302 V C -0.665 175.396 176.094 -0.055 0.000 1.022 302 V CA -0.146 62.021 62.300 -0.223 0.000 0.850 302 V CB 1.188 32.910 31.823 -0.169 0.000 0.992 302 V HN 0.732 nan 8.190 nan 0.000 0.426 303 I N 2.941 123.394 120.570 -0.195 0.000 2.498 303 I HA 0.395 4.565 4.170 -0.001 0.000 0.290 303 I C 0.209 176.328 176.117 0.004 0.000 1.032 303 I CA -0.265 60.981 61.300 -0.091 0.000 1.073 303 I CB 2.449 40.299 38.000 -0.249 0.000 1.251 303 I HN 0.480 nan 8.210 nan 0.000 0.426 304 T N 4.318 118.941 114.554 0.114 0.000 2.727 304 T HA 0.249 4.598 4.350 -0.001 0.000 0.295 304 T C -0.292 174.604 174.700 0.327 0.000 0.915 304 T CA -0.219 61.992 62.100 0.185 0.000 1.066 304 T CB -0.134 68.855 68.868 0.202 0.000 0.891 304 T HN 0.475 nan 8.240 nan 0.000 0.516 305 N N 2.159 121.047 118.700 0.314 0.000 2.430 305 N HA 0.355 5.095 4.740 -0.001 0.000 0.290 305 N C -0.113 175.525 175.510 0.213 0.000 1.063 305 N CA -0.570 52.689 53.050 0.348 0.000 0.883 305 N CB 1.415 40.103 38.487 0.336 0.000 1.465 305 N HN 0.537 nan 8.380 nan 0.000 0.493 306 S N 1.467 117.289 115.700 0.204 0.000 2.634 306 S HA 0.347 4.816 4.470 -0.001 0.000 0.261 306 S C 0.631 175.392 174.600 0.269 0.000 1.271 306 S CA -0.361 57.973 58.200 0.224 0.000 0.985 306 S CB 0.087 63.400 63.200 0.189 0.000 0.968 306 S HN 0.695 nan 8.310 nan 0.000 0.568 307 T N -1.399 113.280 114.554 0.210 0.000 2.734 307 T HA 0.063 4.413 4.350 -0.001 0.000 0.314 307 T C 0.801 175.612 174.700 0.185 0.000 1.057 307 T CA -0.087 62.141 62.100 0.213 0.000 1.047 307 T CB -0.285 68.674 68.868 0.151 0.000 0.991 307 T HN 0.655 nan 8.240 nan 0.000 0.540 308 Y N 1.036 121.323 120.300 -0.023 0.000 2.165 308 Y HA -0.150 4.399 4.550 -0.001 0.000 0.286 308 Y C 1.801 177.525 175.900 -0.293 0.000 1.155 308 Y CA 1.554 59.431 58.100 -0.370 0.000 1.164 308 Y CB -0.092 38.231 38.460 -0.228 0.000 0.978 308 Y HN 0.745 nan 8.280 nan 0.000 0.513 309 D N -0.804 119.657 120.400 0.102 0.000 2.323 309 D HA 0.164 4.804 4.640 -0.001 0.000 0.239 309 D C 1.145 177.593 176.300 0.248 0.000 1.129 309 D CA 0.878 54.934 54.000 0.092 0.000 0.865 309 D CB 0.079 40.876 40.800 -0.005 0.000 0.913 309 D HN 0.460 nan 8.370 nan 0.000 0.517 310 G N 0.340 109.271 108.800 0.220 0.000 2.131 310 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.223 310 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.223 310 G C -0.005 175.062 174.900 0.278 0.000 0.990 310 G CA -0.574 44.686 45.100 0.268 0.000 0.671 310 G HN 0.342 nan 8.290 nan 0.000 0.521 311 L N 0.847 122.210 121.223 0.232 0.000 2.278 311 L HA 0.578 4.918 4.340 -0.001 0.000 0.287 311 L C 0.710 177.590 176.870 0.016 0.000 1.072 311 L CA -0.554 54.363 54.840 0.128 0.000 0.819 311 L CB 0.962 43.049 42.059 0.047 0.000 1.176 311 L HN 0.067 nan 8.230 nan 0.000 0.435 312 L N 3.460 124.717 121.223 0.057 0.000 2.334 312 L HA 0.433 4.773 4.340 -0.001 0.000 0.275 312 L C -0.507 176.355 176.870 -0.014 0.000 1.036 312 L CA -0.560 54.328 54.840 0.079 0.000 0.807 312 L CB 1.188 43.358 42.059 0.184 0.000 1.231 312 L HN 0.318 nan 8.230 nan 0.000 0.438 313 Y N 0.547 120.870 120.300 0.038 0.000 2.307 313 Y HA 0.115 4.664 4.550 -0.001 0.000 0.324 313 Y C 0.811 176.769 175.900 0.097 0.000 1.238 313 Y CA -0.366 57.710 58.100 -0.041 0.000 1.280 313 Y CB 0.516 38.941 38.460 -0.059 0.000 1.248 313 Y HN 0.476 nan 8.280 nan 0.000 0.508 314 N N 1.438 120.333 118.700 0.326 0.000 2.406 314 N HA -0.053 4.687 4.740 -0.001 0.000 0.269 314 N C 0.769 176.413 175.510 0.223 0.000 1.210 314 N CA 0.344 53.604 53.050 0.350 0.000 0.966 314 N CB 0.503 39.210 38.487 0.367 0.000 1.293 314 N HN 0.849 nan 8.380 nan 0.000 0.491 315 T N -0.403 114.195 114.554 0.073 0.000 3.043 315 T HA -0.017 4.333 4.350 -0.001 0.000 0.263 315 T C 1.029 175.744 174.700 0.026 0.000 1.094 315 T CA 0.469 62.548 62.100 -0.034 0.000 1.127 315 T CB 0.146 68.809 68.868 -0.342 0.000 0.905 315 T HN 0.220 nan 8.240 nan 0.000 0.490 316 D N 0.958 121.390 120.400 0.053 0.000 2.104 316 D HA -0.063 4.577 4.640 -0.001 0.000 0.194 316 D C 1.533 177.888 176.300 0.091 0.000 0.994 316 D CA 0.941 54.978 54.000 0.061 0.000 0.830 316 D CB -0.527 40.314 40.800 0.068 0.000 0.959 316 D HN 0.456 nan 8.370 nan 0.000 0.452 317 F N 1.522 121.486 119.950 0.024 0.000 2.069 317 F HA -0.192 4.335 4.527 -0.001 0.000 0.298 317 F C 2.263 178.029 175.800 -0.057 0.000 1.113 317 F CA 1.308 59.318 58.000 0.016 0.000 1.214 317 F CB -0.279 38.761 39.000 0.066 0.000 0.978 317 F HN -0.134 nan 8.300 nan 0.000 0.474 318 I N 0.437 120.965 120.570 -0.070 0.000 2.163 318 I HA -0.352 3.818 4.170 -0.001 0.000 0.243 318 I C 2.332 178.324 176.117 -0.209 0.000 1.085 318 I CA 1.769 62.867 61.300 -0.338 0.000 1.347 318 I CB -0.601 37.207 38.000 -0.320 0.000 1.044 318 I HN 0.130 nan 8.210 nan 0.000 0.408 319 K N 0.654 121.019 120.400 -0.059 0.000 2.147 319 K HA -0.220 4.100 4.320 -0.001 0.000 0.205 319 K C 2.162 178.728 176.600 -0.057 0.000 1.049 319 K CA 1.276 57.557 56.287 -0.010 0.000 0.936 319 K CB -0.117 32.402 32.500 0.032 0.000 0.722 319 K HN 0.238 nan 8.250 nan 0.000 0.446 320 K N 0.308 120.637 120.400 -0.119 0.000 2.116 320 K HA -0.051 4.269 4.320 -0.001 0.000 0.203 320 K C 1.517 178.016 176.600 -0.169 0.000 1.052 320 K CA 1.434 57.647 56.287 -0.124 0.000 0.952 320 K CB 0.252 32.678 32.500 -0.123 0.000 0.729 320 K HN -0.033 nan 8.250 nan 0.000 0.446 321 T N 0.737 115.098 114.554 -0.322 0.000 3.010 321 T HA 0.060 4.410 4.350 -0.001 0.000 0.252 321 T C 0.023 174.693 174.700 -0.051 0.000 1.047 321 T CA -0.105 61.813 62.100 -0.303 0.000 1.140 321 T CB 0.137 68.543 68.868 -0.770 0.000 0.885 321 T HN 0.057 nan 8.240 nan 0.000 0.464 322 L N 3.550 124.760 121.223 -0.021 0.000 2.325 322 L HA 0.271 4.611 4.340 -0.001 0.000 0.284 322 L C -0.669 176.312 176.870 0.184 0.000 1.089 322 L CA -0.215 54.717 54.840 0.152 0.000 0.836 322 L CB 0.219 42.374 42.059 0.161 0.000 1.184 322 L HN -0.038 nan 8.230 nan 0.000 0.444 323 D N 5.495 126.076 120.400 0.303 0.000 2.896 323 D HA 0.180 4.820 4.640 -0.001 0.000 0.240 323 D C -0.730 175.847 176.300 0.462 0.000 1.193 323 D CA 0.271 54.476 54.000 0.342 0.000 0.983 323 D CB 0.394 41.440 40.800 0.409 0.000 1.074 323 D HN 0.222 nan 8.370 nan 0.000 0.496 324 V N 1.520 121.616 119.914 0.303 0.000 2.638 324 V HA 0.115 4.235 4.120 -0.001 0.000 0.306 324 V C 1.214 177.424 176.094 0.194 0.000 1.052 324 V CA -0.944 61.519 62.300 0.273 0.000 0.885 324 V CB 2.575 34.485 31.823 0.145 0.000 0.999 324 V HN 0.187 nan 8.190 nan 0.000 0.424 325 K N 1.419 121.935 120.400 0.194 0.000 2.439 325 K HA 0.110 4.429 4.320 -0.001 0.000 0.197 325 K C 0.660 177.360 176.600 0.167 0.000 1.041 325 K CA 0.747 57.127 56.287 0.155 0.000 0.970 325 K CB 0.398 32.983 32.500 0.141 0.000 0.773 325 K HN 0.440 nan 8.250 nan 0.000 0.479 326 S N 0.775 116.602 115.700 0.212 0.000 2.733 326 S HA 0.491 4.961 4.470 -0.001 0.000 0.294 326 S C -1.195 173.554 174.600 0.247 0.000 1.149 326 S CA -0.897 57.500 58.200 0.329 0.000 1.034 326 S CB 0.614 64.131 63.200 0.529 0.000 1.015 326 S HN 0.277 nan 8.310 nan 0.000 0.486 327 I N 4.984 125.661 120.570 0.178 0.000 2.439 327 I HA 0.348 4.517 4.170 -0.001 0.000 0.285 327 I C -0.874 175.269 176.117 0.044 0.000 1.021 327 I CA -0.730 60.553 61.300 -0.028 0.000 1.091 327 I CB 1.746 39.673 38.000 -0.121 0.000 1.242 327 I HN 0.691 nan 8.210 nan 0.000 0.439 328 H N 7.150 126.104 119.070 -0.195 0.000 2.551 328 H HA 0.450 5.006 4.556 -0.001 0.000 0.321 328 H C -1.607 173.576 175.328 -0.242 0.000 1.028 328 H CA -1.182 54.864 56.048 -0.004 0.000 1.215 328 H CB 0.680 30.485 29.762 0.073 0.000 1.414 328 H HN 0.247 nan 8.280 nan 0.000 0.480 329 F N 3.742 123.822 119.950 0.217 0.000 2.413 329 F HA 0.122 4.649 4.527 -0.001 0.000 0.359 329 F C 0.725 176.491 175.800 -0.056 0.000 1.122 329 F CA -0.612 57.393 58.000 0.008 0.000 1.160 329 F CB 0.559 39.597 39.000 0.065 0.000 1.146 329 F HN 0.539 nan 8.300 nan 0.000 0.514 330 D N 2.402 122.699 120.400 -0.172 0.000 2.367 330 D HA 0.041 4.680 4.640 -0.001 0.000 0.255 330 D C 0.075 176.405 176.300 0.050 0.000 1.300 330 D CA 0.279 54.234 54.000 -0.075 0.000 0.959 330 D CB 0.517 41.224 40.800 -0.154 0.000 1.064 330 D HN 0.360 nan 8.370 nan 0.000 0.509 331 S N 2.500 118.245 115.700 0.074 0.000 2.537 331 S HA 0.268 4.738 4.470 -0.001 0.000 0.246 331 S C 1.647 176.199 174.600 -0.081 0.000 1.036 331 S CA -0.118 58.102 58.200 0.034 0.000 1.041 331 S CB 0.855 64.092 63.200 0.062 0.000 0.799 331 S HN 0.564 nan 8.310 nan 0.000 0.456 332 A N 0.996 123.693 122.820 -0.206 0.000 1.948 332 A HA -0.128 4.191 4.320 -0.001 0.000 0.220 332 A C 1.486 178.797 177.584 -0.455 0.000 1.177 332 A CA 1.214 52.996 52.037 -0.426 0.000 0.636 332 A CB -0.741 17.841 19.000 -0.697 0.000 0.815 332 A HN 0.785 nan 8.150 nan 0.000 0.449 333 W N -0.601 120.624 121.300 -0.125 0.000 3.047 333 W HA 0.223 4.883 4.660 -0.001 0.000 0.250 333 W C 0.646 177.073 176.519 -0.153 0.000 1.314 333 W CA 0.640 57.924 57.345 -0.100 0.000 1.540 333 W CB 0.384 29.808 29.460 -0.060 0.000 1.127 333 W HN 0.216 nan 8.180 nan 0.000 0.679 334 V N -2.395 117.447 119.914 -0.120 0.000 2.562 334 V HA 0.295 4.414 4.120 -0.001 0.000 0.274 334 V C -1.876 173.835 176.094 -0.637 0.000 1.075 334 V CA -1.457 60.470 62.300 -0.621 0.000 1.204 334 V CB 0.333 31.886 31.823 -0.449 0.000 1.478 334 V HN -0.192 nan 8.190 nan 0.000 0.622 335 P HA -0.011 nan 4.420 nan 0.000 0.242 335 P C 0.627 177.976 177.300 0.082 0.000 1.197 335 P CA 0.877 63.956 63.100 -0.034 0.000 0.765 335 P CB -0.143 31.642 31.700 0.142 0.000 0.936 336 Y N -1.918 118.435 120.300 0.089 0.000 2.467 336 Y HA 0.256 4.805 4.550 -0.001 0.000 0.250 336 Y C 1.919 177.678 175.900 -0.234 0.000 1.155 336 Y CA 0.048 58.237 58.100 0.148 0.000 1.249 336 Y CB -1.764 36.800 38.460 0.173 0.000 1.146 336 Y HN -0.177 nan 8.280 nan 0.000 0.524 337 T N -2.341 111.932 114.554 -0.468 0.000 2.881 337 T HA -0.226 4.124 4.350 -0.001 0.000 0.270 337 T C 1.509 176.001 174.700 -0.347 0.000 1.068 337 T CA 1.736 63.535 62.100 -0.502 0.000 1.131 337 T CB -0.467 68.118 68.868 -0.472 0.000 0.871 337 T HN 0.360 nan 8.240 nan 0.000 0.479 338 N N 0.391 118.645 118.700 -0.743 0.000 2.515 338 N HA 0.091 4.831 4.740 -0.001 0.000 0.185 338 N C 0.368 175.440 175.510 -0.729 0.000 1.109 338 N CA 0.277 52.844 53.050 -0.805 0.000 0.903 338 N CB -0.446 37.438 38.487 -1.005 0.000 0.969 338 N HN 0.517 nan 8.380 nan 0.000 0.450 339 F N -1.276 118.662 119.950 -0.020 0.000 2.695 339 F HA 0.413 4.940 4.527 -0.001 0.000 0.303 339 F C 0.799 176.632 175.800 0.055 0.000 1.091 339 F CA -0.480 57.511 58.000 -0.015 0.000 1.300 339 F CB -0.168 38.806 39.000 -0.044 0.000 1.071 339 F HN -0.138 nan 8.300 nan 0.000 0.578 340 S N 0.684 116.515 115.700 0.219 0.000 2.547 340 S HA 0.425 4.895 4.470 -0.001 0.000 0.281 340 S C -2.077 172.544 174.600 0.037 0.000 1.118 340 S CA -1.479 56.800 58.200 0.130 0.000 0.947 340 S CB 1.743 65.022 63.200 0.132 0.000 1.053 340 S HN -0.200 nan 8.310 nan 0.000 0.482 341 P HA -0.017 nan 4.420 nan 0.000 0.225 341 P C 1.495 178.689 177.300 -0.176 0.000 1.148 341 P CA 0.683 63.729 63.100 -0.089 0.000 0.779 341 P CB -0.499 31.153 31.700 -0.080 0.000 0.780 342 I N -4.645 115.746 120.570 -0.300 0.000 2.700 342 I HA -0.179 3.991 4.170 -0.001 0.000 0.261 342 I C 1.419 177.194 176.117 -0.570 0.000 1.219 342 I CA 1.382 62.388 61.300 -0.490 0.000 1.463 342 I CB -1.078 36.538 38.000 -0.641 0.000 1.092 342 I HN -0.155 nan 8.210 nan 0.000 0.452 343 Y N 1.642 121.857 120.300 -0.141 0.000 2.466 343 Y HA 0.304 4.854 4.550 -0.001 0.000 0.272 343 Y C 0.788 176.576 175.900 -0.188 0.000 1.169 343 Y CA -0.539 57.468 58.100 -0.156 0.000 1.285 343 Y CB -0.172 38.229 38.460 -0.099 0.000 1.078 343 Y HN 0.197 nan 8.280 nan 0.000 0.523 344 E N 0.376 120.524 120.200 -0.086 0.000 2.414 344 E HA 0.157 4.507 4.350 -0.001 0.000 0.263 344 E C 1.130 177.645 176.600 -0.141 0.000 1.000 344 E CA 0.828 57.165 56.400 -0.104 0.000 0.914 344 E CB 0.406 30.046 29.700 -0.100 0.000 0.948 344 E HN 0.524 nan 8.360 nan 0.000 0.444 345 G N 3.233 111.963 108.800 -0.117 0.000 2.168 345 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.263 345 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.263 345 G C 0.521 175.344 174.900 -0.128 0.000 0.977 345 G CA 0.693 45.728 45.100 -0.108 0.000 0.659 345 G HN 0.558 nan 8.290 nan 0.000 0.533 346 K N -0.594 119.718 120.400 -0.145 0.000 2.501 346 K HA 0.427 4.747 4.320 -0.001 0.000 0.204 346 K C 0.510 177.029 176.600 -0.134 0.000 1.067 346 K CA 0.298 56.514 56.287 -0.117 0.000 1.060 346 K CB 0.522 32.940 32.500 -0.137 0.000 0.873 346 K HN 0.735 nan 8.250 nan 0.000 0.540 347 C N -3.889 115.282 119.300 -0.216 0.000 3.171 347 C HA 0.655 5.114 4.460 -0.001 0.000 0.308 347 C C 1.887 176.630 174.990 -0.413 0.000 1.334 347 C CA -0.872 57.965 59.018 -0.302 0.000 1.473 347 C CB 0.880 28.494 27.740 -0.210 0.000 1.866 347 C HN 0.317 nan 8.230 nan 0.000 0.465 348 G N 0.680 109.194 108.800 -0.476 0.000 2.446 348 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.217 348 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.217 348 G C 1.066 175.921 174.900 -0.074 0.000 1.168 348 G CA 1.122 46.046 45.100 -0.293 0.000 0.771 348 G HN 0.727 nan 8.290 nan 0.000 0.551 349 M N 1.132 120.689 119.600 -0.072 0.000 2.595 349 M HA 0.195 4.675 4.480 -0.001 0.000 0.248 349 M C 1.425 177.671 176.300 -0.091 0.000 1.119 349 M CA -0.203 55.059 55.300 -0.064 0.000 1.079 349 M CB -0.615 31.931 32.600 -0.090 0.000 1.472 349 M HN 0.158 nan 8.290 nan 0.000 0.501 350 S N 0.727 116.359 115.700 -0.114 0.000 2.546 350 S HA 0.386 4.855 4.470 -0.001 0.000 0.290 350 S C 1.004 175.559 174.600 -0.075 0.000 1.290 350 S CA 0.855 58.992 58.200 -0.104 0.000 1.069 350 S CB 0.039 63.171 63.200 -0.113 0.000 0.846 350 S HN 0.796 nan 8.310 nan 0.000 0.495 351 G N 3.628 112.387 108.800 -0.068 0.000 2.542 351 G HA2 0.031 3.990 3.960 -0.001 0.000 0.235 351 G HA3 0.031 3.990 3.960 -0.001 0.000 0.235 351 G C 0.200 175.073 174.900 -0.045 0.000 1.286 351 G CA -0.163 44.907 45.100 -0.050 0.000 0.904 351 G HN 1.372 nan 8.290 nan 0.000 0.577 352 G N -1.177 107.602 108.800 -0.034 0.000 2.887 352 G HA2 0.661 4.621 3.960 -0.001 0.000 0.277 352 G HA3 0.661 4.621 3.960 -0.001 0.000 0.277 352 G C 0.103 174.986 174.900 -0.028 0.000 1.346 352 G CA -0.228 44.853 45.100 -0.032 0.000 1.058 352 G HN 0.732 nan 8.290 nan 0.000 0.535 353 R N -1.467 119.017 120.500 -0.027 0.000 2.679 353 R HA 0.307 4.646 4.340 -0.001 0.000 0.268 353 R C -0.491 175.800 176.300 -0.015 0.000 1.044 353 R CA -0.030 56.055 56.100 -0.025 0.000 1.105 353 R CB 0.740 31.024 30.300 -0.026 0.000 0.989 353 R HN 0.146 nan 8.270 nan 0.000 0.447 354 V N 3.784 123.692 119.914 -0.010 0.000 2.350 354 V HA 0.086 4.205 4.120 -0.001 0.000 0.276 354 V C -0.040 176.055 176.094 0.002 0.000 1.028 354 V CA -0.521 61.779 62.300 -0.000 0.000 0.860 354 V CB 1.258 33.088 31.823 0.011 0.000 0.990 354 V HN 0.756 nan 8.190 nan 0.000 0.453 355 E N 3.638 123.839 120.200 0.002 0.000 2.585 355 E HA 0.201 4.550 4.350 -0.001 0.000 0.252 355 E C 1.319 177.927 176.600 0.013 0.000 0.981 355 E CA 0.955 57.358 56.400 0.004 0.000 0.943 355 E CB 0.285 29.986 29.700 0.002 0.000 0.923 355 E HN 1.086 nan 8.360 nan 0.000 0.486 356 G N 3.331 112.140 108.800 0.015 0.000 2.162 356 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.260 356 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.260 356 G C -0.022 174.903 174.900 0.042 0.000 0.976 356 G CA 0.537 45.654 45.100 0.027 0.000 0.655 356 G HN 0.446 nan 8.290 nan 0.000 0.533 357 K N -0.783 119.637 120.400 0.033 0.000 2.385 357 K HA 0.720 5.040 4.320 -0.001 0.000 0.248 357 K C -0.870 175.736 176.600 0.010 0.000 0.955 357 K CA -0.893 55.420 56.287 0.043 0.000 0.816 357 K CB 3.296 35.825 32.500 0.048 0.000 1.250 357 K HN 0.276 nan 8.250 nan 0.000 0.434 358 V N 3.735 123.652 119.914 0.005 0.000 2.483 358 V HA 0.493 4.612 4.120 -0.001 0.000 0.295 358 V C -1.123 174.858 176.094 -0.188 0.000 1.035 358 V CA -0.759 61.464 62.300 -0.129 0.000 0.896 358 V CB 1.113 32.843 31.823 -0.155 0.000 0.986 358 V HN 0.537 nan 8.190 nan 0.000 0.447 359 I N 6.839 127.249 120.570 -0.266 0.000 2.474 359 I HA 0.520 4.690 4.170 -0.001 0.000 0.294 359 I C -0.814 175.142 176.117 -0.268 0.000 1.005 359 I CA -0.554 60.681 61.300 -0.108 0.000 1.113 359 I CB 1.540 39.581 38.000 0.069 0.000 1.289 359 I HN 0.591 nan 8.210 nan 0.000 0.436 360 Y N 2.692 123.122 120.300 0.216 0.000 2.524 360 Y HA 0.524 5.074 4.550 -0.001 0.000 0.344 360 Y C 0.207 176.315 175.900 0.345 0.000 1.012 360 Y CA -0.809 57.417 58.100 0.209 0.000 1.068 360 Y CB 1.862 40.379 38.460 0.095 0.000 1.249 360 Y HN 0.435 nan 8.280 nan 0.000 0.468 361 E N 1.057 121.526 120.200 0.448 0.000 2.222 361 E HA 0.430 4.780 4.350 -0.001 0.000 0.267 361 E C -1.157 175.618 176.600 0.292 0.000 0.884 361 E CA -0.909 55.735 56.400 0.405 0.000 0.764 361 E CB 2.128 32.019 29.700 0.319 0.000 1.169 361 E HN 0.662 nan 8.360 nan 0.000 0.413 362 T N 0.382 115.112 114.554 0.293 0.000 2.823 362 T HA 0.518 4.868 4.350 -0.001 0.000 0.279 362 T C -0.231 174.497 174.700 0.047 0.000 0.998 362 T CA -0.908 61.267 62.100 0.125 0.000 0.994 362 T CB 1.550 70.511 68.868 0.154 0.000 0.960 362 T HN 0.340 nan 8.240 nan 0.000 0.448 363 Q N 1.156 120.929 119.800 -0.045 0.000 2.331 363 Q HA 0.481 4.820 4.340 -0.001 0.000 0.272 363 Q C -1.014 174.903 176.000 -0.138 0.000 1.062 363 Q CA -0.803 54.953 55.803 -0.078 0.000 0.806 363 Q CB 2.574 31.308 28.738 -0.008 0.000 1.312 363 Q HN 0.682 nan 8.270 nan 0.000 0.431 364 S N 1.527 117.088 115.700 -0.230 0.000 2.642 364 S HA 0.067 4.537 4.470 -0.001 0.000 0.309 364 S C 0.864 175.283 174.600 -0.301 0.000 1.125 364 S CA -0.230 57.762 58.200 -0.347 0.000 1.055 364 S CB 0.350 63.172 63.200 -0.630 0.000 1.157 364 S HN 0.609 nan 8.310 nan 0.000 0.513 365 T N 2.256 116.744 114.554 -0.111 0.000 2.803 365 T HA -0.163 4.187 4.350 -0.001 0.000 0.269 365 T C 0.909 175.621 174.700 0.019 0.000 1.052 365 T CA 1.634 63.739 62.100 0.008 0.000 1.136 365 T CB -0.510 68.389 68.868 0.051 0.000 0.864 365 T HN 0.886 nan 8.240 nan 0.000 0.467 369 L N -0.373 120.961 121.223 0.185 0.000 2.535 369 L HA 0.861 5.201 4.340 -0.001 0.000 0.259 369 L C 0.203 177.140 176.870 0.110 0.000 1.263 369 L CA -0.712 54.232 54.840 0.173 0.000 1.282 369 L CB 1.251 43.441 42.059 0.220 0.000 1.901 369 L HN -0.026 nan 8.230 nan 0.000 0.572 370 A N 0.165 123.031 122.820 0.076 0.000 2.360 370 A HA 0.812 5.131 4.320 -0.001 0.000 0.309 370 A C -0.747 176.829 177.584 -0.012 0.000 1.311 370 A CA -0.180 51.874 52.037 0.027 0.000 0.805 370 A CB 0.565 19.565 19.000 -0.001 0.000 1.144 370 A HN 0.639 nan 8.150 nan 0.000 0.486 371 A N 1.504 124.322 122.820 -0.004 0.000 2.610 371 A HA 0.780 5.100 4.320 -0.001 0.000 0.291 371 A C -1.138 176.455 177.584 0.014 0.000 1.086 371 A CA -0.655 51.347 52.037 -0.060 0.000 0.677 371 A CB 0.450 19.482 19.000 0.052 0.000 1.278 371 A HN 0.583 nan 8.150 nan 0.000 0.414 372 F N 1.506 121.516 119.950 0.100 0.000 2.459 372 F HA 0.360 4.886 4.527 -0.001 0.000 0.346 372 F C 1.509 177.312 175.800 0.005 0.000 1.128 372 F CA 0.177 58.209 58.000 0.054 0.000 1.268 372 F CB 0.709 39.726 39.000 0.027 0.000 1.161 372 F HN 0.447 nan 8.300 nan 0.000 0.583 373 S N 2.065 117.848 115.700 0.139 0.000 2.573 373 S HA -0.034 4.436 4.470 -0.001 0.000 0.297 373 S C 0.557 175.020 174.600 -0.228 0.000 1.280 373 S CA 0.298 58.362 58.200 -0.226 0.000 1.061 373 S CB 0.182 63.282 63.200 -0.166 0.000 0.812 373 S HN 0.726 nan 8.310 nan 0.000 0.500 374 Q N -1.817 117.720 119.800 -0.438 0.000 2.402 374 Q HA -0.202 4.138 4.340 -0.001 0.000 0.156 374 Q C 0.135 176.153 176.000 0.029 0.000 0.563 374 Q CA 0.903 56.611 55.803 -0.158 0.000 1.312 374 Q CB -1.648 27.027 28.738 -0.105 0.000 1.149 374 Q HN 0.872 nan 8.270 nan 0.000 1.029 375 A N 1.397 124.292 122.820 0.124 0.000 2.454 375 A HA 0.554 4.874 4.320 -0.001 0.000 0.260 375 A C 0.117 177.813 177.584 0.187 0.000 1.106 375 A CA 0.871 53.006 52.037 0.164 0.000 0.780 375 A CB 1.029 20.129 19.000 0.166 0.000 1.044 375 A HN 0.211 nan 8.150 nan 0.000 0.498 376 S N 2.162 117.914 115.700 0.086 0.000 2.564 376 S HA 0.787 5.257 4.470 -0.001 0.000 0.274 376 S C -0.780 173.796 174.600 -0.039 0.000 1.124 376 S CA -0.669 57.541 58.200 0.017 0.000 0.869 376 S CB 0.893 64.105 63.200 0.018 0.000 1.105 376 S HN 0.659 nan 8.310 nan 0.000 0.472 377 M N 3.173 122.688 119.600 -0.142 0.000 2.465 377 M HA 0.558 5.038 4.480 -0.001 0.000 0.316 377 M C -1.240 174.878 176.300 -0.304 0.000 1.121 377 M CA -0.507 54.618 55.300 -0.292 0.000 0.934 377 M CB 2.004 34.235 32.600 -0.614 0.000 1.692 377 M HN 0.506 nan 8.290 nan 0.000 0.444 378 I N 2.634 123.078 120.570 -0.209 0.000 2.354 378 I HA 0.343 4.512 4.170 -0.001 0.000 0.292 378 I C -0.637 175.387 176.117 -0.154 0.000 0.989 378 I CA -0.742 60.505 61.300 -0.087 0.000 1.188 378 I CB 0.943 39.011 38.000 0.114 0.000 1.342 378 I HN 0.522 nan 8.210 nan 0.000 0.457 379 H N 5.547 124.692 119.070 0.124 0.000 2.466 379 H HA 0.548 5.103 4.556 -0.001 0.000 0.338 379 H C -0.786 174.599 175.328 0.094 0.000 1.091 379 H CA -0.619 55.477 56.048 0.080 0.000 1.207 379 H CB 2.338 32.133 29.762 0.056 0.000 1.466 379 H HN 0.192 nan 8.280 nan 0.000 0.493 380 V N 3.225 123.210 119.914 0.118 0.000 2.495 380 V HA 0.265 4.384 4.120 -0.001 0.000 0.298 380 V C 0.001 176.029 176.094 -0.110 0.000 1.031 380 V CA -0.872 61.377 62.300 -0.085 0.000 0.871 380 V CB 2.028 33.741 31.823 -0.183 0.000 0.988 380 V HN 0.529 nan 8.190 nan 0.000 0.432 381 K N 3.046 123.344 120.400 -0.171 0.000 2.535 381 K HA 0.762 5.081 4.320 -0.001 0.000 0.253 381 K C -0.235 176.278 176.600 -0.146 0.000 0.953 381 K CA 0.665 56.881 56.287 -0.118 0.000 0.863 381 K CB 1.166 33.627 32.500 -0.066 0.000 1.111 381 K HN 1.304 nan 8.250 nan 0.000 0.431 382 G N 2.428 111.157 108.800 -0.117 0.000 2.408 382 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.682 382 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.682 382 G C -1.703 173.136 174.900 -0.102 0.000 1.303 382 G CA -0.981 44.059 45.100 -0.099 0.000 0.966 382 G HN 0.510 nan 8.290 nan 0.000 0.560 383 D N 0.249 120.617 120.400 -0.053 0.000 2.256 383 D HA 0.529 5.169 4.640 -0.001 0.000 0.250 383 D C 0.841 177.144 176.300 0.004 0.000 1.093 383 D CA 0.379 54.362 54.000 -0.027 0.000 0.882 383 D CB 1.814 42.618 40.800 0.007 0.000 1.185 383 D HN 1.119 nan 8.370 nan 0.000 0.437 384 V N -0.083 119.824 119.914 -0.012 0.000 2.960 384 V HA 0.488 4.608 4.120 -0.001 0.000 0.315 384 V C 0.102 176.269 176.094 0.120 0.000 1.087 384 V CA -1.178 61.167 62.300 0.074 0.000 0.982 384 V CB 2.141 33.849 31.823 -0.192 0.000 1.039 384 V HN 0.374 nan 8.190 nan 0.000 0.437 385 N N 1.859 120.725 118.700 0.277 0.000 2.406 385 N HA 0.035 4.775 4.740 -0.001 0.000 0.265 385 N C 0.836 176.465 175.510 0.198 0.000 1.203 385 N CA 0.698 53.884 53.050 0.226 0.000 0.945 385 N CB 1.221 39.872 38.487 0.273 0.000 1.165 385 N HN 1.077 nan 8.380 nan 0.000 0.485 386 E N 3.308 123.574 120.200 0.111 0.000 2.150 386 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 386 E C 0.574 177.258 176.600 0.140 0.000 0.985 386 E CA 1.146 57.599 56.400 0.089 0.000 0.814 386 E CB 0.262 29.978 29.700 0.027 0.000 0.752 386 E HN 0.686 nan 8.360 nan 0.000 0.466 387 E N -0.293 119.986 120.200 0.132 0.000 2.076 387 E HA -0.084 4.266 4.350 -0.001 0.000 0.190 387 E C 2.056 178.750 176.600 0.158 0.000 0.979 387 E CA 1.472 57.950 56.400 0.130 0.000 0.807 387 E CB 0.078 29.837 29.700 0.098 0.000 0.761 387 E HN 0.203 nan 8.360 nan 0.000 0.454 388 T N 0.878 115.553 114.554 0.201 0.000 2.821 388 T HA -0.118 4.232 4.350 -0.001 0.000 0.267 388 T C 1.460 176.322 174.700 0.270 0.000 1.046 388 T CA 0.717 62.957 62.100 0.234 0.000 1.139 388 T CB -0.301 68.730 68.868 0.273 0.000 0.871 388 T HN 0.122 nan 8.240 nan 0.000 0.454 389 F N 2.496 122.502 119.950 0.093 0.000 2.102 389 F HA -0.121 4.405 4.527 -0.001 0.000 0.298 389 F C 2.270 178.022 175.800 -0.080 0.000 1.105 389 F CA 1.189 59.067 58.000 -0.204 0.000 1.239 389 F CB -0.285 38.390 39.000 -0.541 0.000 0.991 389 F HN 0.056 nan 8.300 nan 0.000 0.474 390 N N 0.398 119.228 118.700 0.218 0.000 2.205 390 N HA -0.197 4.543 4.740 -0.001 0.000 0.186 390 N C 1.729 177.353 175.510 0.191 0.000 1.015 390 N CA 1.503 54.702 53.050 0.248 0.000 0.862 390 N CB -0.227 38.423 38.487 0.271 0.000 0.986 390 N HN 0.292 nan 8.380 nan 0.000 0.429 391 E N 0.125 120.392 120.200 0.112 0.000 2.051 391 E HA -0.135 4.215 4.350 -0.001 0.000 0.192 391 E C 1.898 178.503 176.600 0.008 0.000 0.991 391 E CA 1.171 57.608 56.400 0.061 0.000 0.799 391 E CB -0.534 29.193 29.700 0.046 0.000 0.748 391 E HN 0.482 nan 8.360 nan 0.000 0.449 392 A N 0.663 123.452 122.820 -0.051 0.000 1.933 392 A HA -0.204 4.116 4.320 -0.001 0.000 0.218 392 A C 2.135 179.676 177.584 -0.072 0.000 1.175 392 A CA 1.448 53.419 52.037 -0.108 0.000 0.628 392 A CB -0.861 17.984 19.000 -0.257 0.000 0.814 392 A HN 0.372 nan 8.150 nan 0.000 0.444 393 Y N 0.167 120.313 120.300 -0.257 0.000 2.114 393 Y HA -0.237 4.313 4.550 -0.001 0.000 0.284 393 Y C 2.366 178.257 175.900 -0.014 0.000 1.143 393 Y CA 2.328 60.344 58.100 -0.140 0.000 1.135 393 Y CB -0.269 38.149 38.460 -0.071 0.000 0.980 393 Y HN 0.261 nan 8.280 nan 0.000 0.499 394 M N -0.529 119.097 119.600 0.044 0.000 2.279 394 M HA -0.255 4.225 4.480 -0.001 0.000 0.264 394 M C 2.142 178.361 176.300 -0.135 0.000 1.062 394 M CA 1.640 56.903 55.300 -0.062 0.000 1.099 394 M CB -0.302 32.326 32.600 0.047 0.000 1.394 394 M HN 0.417 nan 8.290 nan 0.000 0.426 395 M N -1.154 118.362 119.600 -0.141 0.000 2.374 395 M HA -0.173 4.306 4.480 -0.001 0.000 0.264 395 M C 1.198 177.240 176.300 -0.431 0.000 1.067 395 M CA 1.152 56.291 55.300 -0.268 0.000 1.103 395 M CB -0.173 32.238 32.600 -0.314 0.000 1.402 395 M HN 0.273 nan 8.290 nan 0.000 0.444 396 H N -1.806 117.155 119.070 -0.181 0.000 2.893 396 H HA 0.274 4.829 4.556 -0.001 0.000 0.270 396 H C -0.099 175.095 175.328 -0.223 0.000 1.095 396 H CA 0.205 56.146 56.048 -0.178 0.000 1.186 396 H CB 0.580 30.238 29.762 -0.172 0.000 1.562 396 H HN 0.100 nan 8.280 nan 0.000 0.536 397 T N 1.023 115.449 114.554 -0.214 0.000 2.823 397 T HA 0.142 4.492 4.350 -0.001 0.000 0.279 397 T C 0.482 175.084 174.700 -0.163 0.000 0.998 397 T CA -0.358 61.579 62.100 -0.272 0.000 0.994 397 T CB 2.644 71.161 68.868 -0.586 0.000 0.960 397 T HN 0.075 nan 8.240 nan 0.000 0.448 398 T N 1.235 115.724 114.554 -0.108 0.000 2.900 398 T HA 0.113 4.463 4.350 -0.001 0.000 0.307 398 T C 1.647 176.309 174.700 -0.063 0.000 1.065 398 T CA 0.011 62.071 62.100 -0.066 0.000 1.105 398 T CB 0.324 69.176 68.868 -0.028 0.000 0.979 398 T HN 0.745 nan 8.240 nan 0.000 0.544 399 T N 0.842 115.368 114.554 -0.047 0.000 3.118 399 T HA 0.115 4.465 4.350 -0.001 0.000 0.260 399 T C 0.739 175.430 174.700 -0.015 0.000 1.139 399 T CA 0.016 62.093 62.100 -0.039 0.000 1.085 399 T CB 0.126 68.973 68.868 -0.036 0.000 0.934 399 T HN 0.383 nan 8.240 nan 0.000 0.518 400 S N 3.131 118.834 115.700 0.004 0.000 2.062 400 S HA 0.366 4.835 4.470 -0.001 0.000 0.163 400 S C -2.570 172.079 174.600 0.082 0.000 1.612 400 S CA -1.139 57.087 58.200 0.042 0.000 1.251 400 S CB 0.650 63.870 63.200 0.032 0.000 1.174 400 S HN 0.399 nan 8.310 nan 0.000 0.428 401 P HA 0.053 nan 4.420 nan 0.000 0.272 401 P C -0.498 176.938 177.300 0.226 0.000 1.223 401 P CA -0.231 62.928 63.100 0.098 0.000 0.784 401 P CB 0.408 32.106 31.700 -0.002 0.000 0.923 402 H N 2.432 121.576 119.070 0.124 0.000 2.864 402 H HA 0.048 4.603 4.556 -0.001 0.000 0.281 402 H C 0.305 175.771 175.328 0.231 0.000 1.093 402 H CA 0.151 56.303 56.048 0.175 0.000 1.453 402 H CB 0.283 30.097 29.762 0.086 0.000 1.462 402 H HN 0.338 nan 8.280 nan 0.000 0.480 403 Y N 3.376 123.659 120.300 -0.028 0.000 2.352 403 Y HA -0.073 4.477 4.550 -0.001 0.000 0.292 403 Y C 2.483 178.478 175.900 0.159 0.000 1.136 403 Y CA 1.178 59.323 58.100 0.075 0.000 1.227 403 Y CB -0.200 38.278 38.460 0.030 0.000 0.991 403 Y HN 0.782 nan 8.280 nan 0.000 0.545 404 G N 0.099 109.096 108.800 0.329 0.000 2.421 404 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.216 404 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.216 404 G C 1.759 177.052 174.900 0.655 0.000 1.171 404 G CA 1.157 46.561 45.100 0.508 0.000 0.775 404 G HN 0.393 nan 8.290 nan 0.000 0.543 405 I N 0.361 121.322 120.570 0.651 0.000 2.179 405 I HA -0.171 3.998 4.170 -0.001 0.000 0.242 405 I C 2.805 179.089 176.117 0.279 0.000 1.088 405 I CA 0.560 62.115 61.300 0.425 0.000 1.357 405 I CB -0.284 37.837 38.000 0.201 0.000 1.051 405 I HN 0.035 nan 8.210 nan 0.000 0.409 406 V N 1.067 121.110 119.914 0.215 0.000 2.261 406 V HA -0.318 3.802 4.120 -0.001 0.000 0.246 406 V C 2.738 178.867 176.094 0.058 0.000 1.047 406 V CA 2.094 64.451 62.300 0.094 0.000 1.015 406 V CB -1.144 30.677 31.823 -0.002 0.000 0.642 406 V HN 0.510 nan 8.190 nan 0.000 0.446 407 A N 0.730 123.603 122.820 0.088 0.000 1.940 407 A HA -0.237 4.082 4.320 -0.001 0.000 0.219 407 A C 2.561 180.156 177.584 0.018 0.000 1.176 407 A CA 2.406 54.456 52.037 0.022 0.000 0.631 407 A CB -0.816 18.225 19.000 0.068 0.000 0.814 407 A HN 0.710 nan 8.150 nan 0.000 0.446 408 S N -0.824 114.928 115.700 0.086 0.000 2.399 408 S HA -0.144 4.326 4.470 -0.001 0.000 0.231 408 S C 1.810 176.408 174.600 -0.003 0.000 1.022 408 S CA 1.950 60.130 58.200 -0.033 0.000 0.983 408 S CB -1.084 62.008 63.200 -0.179 0.000 0.803 408 S HN 0.508 nan 8.310 nan 0.000 0.480 409 T N 1.853 116.432 114.554 0.042 0.000 2.777 409 T HA -0.047 4.302 4.350 -0.001 0.000 0.266 409 T C 1.780 176.505 174.700 0.042 0.000 1.040 409 T CA 1.468 63.593 62.100 0.043 0.000 1.141 409 T CB -0.398 68.497 68.868 0.044 0.000 0.868 409 T HN 0.644 nan 8.240 nan 0.000 0.444 410 E N 0.470 120.670 120.200 0.000 0.000 2.107 410 E HA -0.121 4.229 4.350 -0.001 0.000 0.191 410 E C 2.025 178.613 176.600 -0.019 0.000 0.982 410 E CA 1.082 57.468 56.400 -0.024 0.000 0.809 410 E CB -0.017 29.596 29.700 -0.146 0.000 0.756 410 E HN 0.359 nan 8.360 nan 0.000 0.459 411 T N 0.598 115.122 114.554 -0.051 0.000 2.867 411 T HA -0.050 4.300 4.350 -0.001 0.000 0.268 411 T C 1.789 176.502 174.700 0.022 0.000 1.057 411 T CA 0.948 63.021 62.100 -0.045 0.000 1.136 411 T CB -0.157 68.668 68.868 -0.072 0.000 0.874 411 T HN 0.295 nan 8.240 nan 0.000 0.466 412 A N 1.468 124.321 122.820 0.055 0.000 1.940 412 A HA 0.091 4.410 4.320 -0.001 0.000 0.219 412 A C 2.610 180.301 177.584 0.180 0.000 1.176 412 A CA 1.837 53.938 52.037 0.105 0.000 0.631 412 A CB -1.002 18.084 19.000 0.143 0.000 0.814 412 A HN 0.511 nan 8.150 nan 0.000 0.446 413 A N -0.144 122.858 122.820 0.304 0.000 1.873 413 A HA 0.189 4.509 4.320 -0.001 0.000 0.215 413 A C 2.533 180.264 177.584 0.245 0.000 1.186 413 A CA 2.033 54.325 52.037 0.424 0.000 0.616 413 A CB -1.105 18.263 19.000 0.612 0.000 0.823 413 A HN 1.093 nan 8.150 nan 0.000 0.442 414 A N -0.475 122.526 122.820 0.301 0.000 1.908 414 A HA -0.180 4.140 4.320 -0.001 0.000 0.218 414 A C 2.253 179.870 177.584 0.056 0.000 1.181 414 A CA 1.945 54.130 52.037 0.246 0.000 0.627 414 A CB -0.599 18.470 19.000 0.114 0.000 0.818 414 A HN 0.547 nan 8.150 nan 0.000 0.445 415 M N -1.578 118.023 119.600 0.001 0.000 2.213 415 M HA -0.103 4.376 4.480 -0.001 0.000 0.263 415 M C 1.623 177.826 176.300 -0.161 0.000 1.062 415 M CA 1.153 56.416 55.300 -0.061 0.000 1.105 415 M CB -0.243 32.326 32.600 -0.052 0.000 1.385 415 M HN 0.266 nan 8.290 nan 0.000 0.417 416 M N -0.213 119.211 119.600 -0.293 0.000 2.556 416 M HA 0.121 4.601 4.480 -0.001 0.000 0.245 416 M C 0.516 176.495 176.300 -0.535 0.000 1.128 416 M CA 0.404 55.303 55.300 -0.668 0.000 1.069 416 M CB -0.785 30.940 32.600 -1.457 0.000 1.469 416 M HN 0.029 nan 8.290 nan 0.000 0.494 417 K N 0.672 120.915 120.400 -0.262 0.000 2.350 417 K HA 0.348 4.668 4.320 -0.001 0.000 0.279 417 K C 0.963 177.501 176.600 -0.104 0.000 1.027 417 K CA 0.782 56.974 56.287 -0.158 0.000 0.969 417 K CB 0.497 32.937 32.500 -0.100 0.000 0.954 417 K HN 0.368 nan 8.250 nan 0.000 0.474 418 G N 3.325 112.084 108.800 -0.069 0.000 2.547 418 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.271 418 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.271 418 G C 0.503 175.386 174.900 -0.029 0.000 1.209 418 G CA 0.320 45.398 45.100 -0.037 0.000 0.959 418 G HN 0.721 nan 8.290 nan 0.000 0.563 419 N N 0.657 119.347 118.700 -0.017 0.000 2.250 419 N HA 0.185 4.924 4.740 -0.001 0.000 0.181 419 N C 2.614 178.115 175.510 -0.015 0.000 1.017 419 N CA 2.109 55.153 53.050 -0.011 0.000 0.866 419 N CB -0.698 37.787 38.487 -0.004 0.000 0.985 419 N HN 0.944 nan 8.380 nan 0.000 0.429 420 A N 0.361 123.170 122.820 -0.018 0.000 1.908 420 A HA -0.030 4.290 4.320 -0.001 0.000 0.218 420 A C 2.292 179.846 177.584 -0.051 0.000 1.181 420 A CA 1.990 54.014 52.037 -0.021 0.000 0.627 420 A CB -1.153 17.839 19.000 -0.013 0.000 0.818 420 A HN 0.351 nan 8.150 nan 0.000 0.445 421 G N -0.669 108.078 108.800 -0.088 0.000 2.394 421 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.215 421 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.215 421 G C 1.662 176.505 174.900 -0.095 0.000 1.165 421 G CA 0.897 45.898 45.100 -0.164 0.000 0.784 421 G HN 0.551 nan 8.290 nan 0.000 0.535 422 K N 0.145 120.527 120.400 -0.030 0.000 2.057 422 K HA -0.044 4.276 4.320 -0.001 0.000 0.207 422 K C 2.712 179.319 176.600 0.011 0.000 1.049 422 K CA 0.910 57.210 56.287 0.021 0.000 0.931 422 K CB -0.140 32.374 32.500 0.023 0.000 0.714 422 K HN 0.154 nan 8.250 nan 0.000 0.440 423 R N 0.740 121.236 120.500 -0.005 0.000 2.081 423 R HA -0.058 4.281 4.340 -0.001 0.000 0.235 423 R C 2.393 178.691 176.300 -0.003 0.000 1.131 423 R CA 1.046 57.144 56.100 -0.003 0.000 0.960 423 R CB -0.357 29.940 30.300 -0.005 0.000 0.856 423 R HN 0.143 nan 8.270 nan 0.000 0.436 424 L N 0.184 121.397 121.223 -0.016 0.000 1.989 424 L HA -0.241 4.098 4.340 -0.001 0.000 0.211 424 L C 2.223 179.091 176.870 -0.004 0.000 1.071 424 L CA 1.419 56.249 54.840 -0.016 0.000 0.749 424 L CB -0.376 41.657 42.059 -0.042 0.000 0.890 424 L HN 0.157 nan 8.230 nan 0.000 0.431 425 I N -0.377 120.198 120.570 0.009 0.000 2.353 425 I HA -0.207 3.962 4.170 -0.001 0.000 0.248 425 I C 2.183 178.316 176.117 0.027 0.000 1.119 425 I CA 0.910 62.229 61.300 0.033 0.000 1.417 425 I CB -0.509 37.572 38.000 0.134 0.000 1.078 425 I HN 0.226 nan 8.210 nan 0.000 0.421 426 N N 1.052 119.769 118.700 0.028 0.000 2.104 426 N HA -0.148 4.592 4.740 -0.001 0.000 0.190 426 N C 2.029 177.546 175.510 0.012 0.000 1.024 426 N CA 1.631 54.689 53.050 0.013 0.000 0.853 426 N CB -0.980 37.511 38.487 0.007 0.000 1.008 426 N HN 0.447 nan 8.380 nan 0.000 0.424 427 G N 0.440 109.249 108.800 0.015 0.000 2.459 427 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.217 427 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.217 427 G C 1.716 176.639 174.900 0.038 0.000 1.183 427 G CA 1.746 46.861 45.100 0.024 0.000 0.776 427 G HN 0.529 nan 8.290 nan 0.000 0.552 428 S N 0.490 116.208 115.700 0.030 0.000 2.402 428 S HA -0.018 4.452 4.470 -0.001 0.000 0.229 428 S C 2.355 176.988 174.600 0.054 0.000 1.021 428 S CA 1.170 59.400 58.200 0.051 0.000 0.974 428 S CB -0.341 62.863 63.200 0.006 0.000 0.800 428 S HN 0.351 nan 8.310 nan 0.000 0.484 429 I N 1.893 122.473 120.570 0.016 0.000 2.202 429 I HA -0.137 4.032 4.170 -0.001 0.000 0.242 429 I C 2.853 178.978 176.117 0.014 0.000 1.091 429 I CA 1.588 62.889 61.300 0.002 0.000 1.368 429 I CB -0.417 37.563 38.000 -0.033 0.000 1.058 429 I HN 0.333 nan 8.210 nan 0.000 0.410 430 E N 0.629 120.842 120.200 0.021 0.000 2.058 430 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 430 E C 2.360 178.987 176.600 0.045 0.000 0.997 430 E CA 1.186 57.603 56.400 0.030 0.000 0.801 430 E CB -0.090 29.625 29.700 0.027 0.000 0.746 430 E HN 0.387 nan 8.360 nan 0.000 0.450 431 R N 0.298 120.840 120.500 0.070 0.000 2.081 431 R HA -0.090 4.250 4.340 -0.001 0.000 0.235 431 R C 2.387 178.700 176.300 0.021 0.000 1.131 431 R CA 1.066 57.233 56.100 0.112 0.000 0.960 431 R CB -0.314 30.105 30.300 0.198 0.000 0.856 431 R HN 0.122 nan 8.270 nan 0.000 0.436 432 A N 1.299 124.078 122.820 -0.068 0.000 1.902 432 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 432 A C 2.152 179.626 177.584 -0.182 0.000 1.181 432 A CA 1.205 52.993 52.037 -0.415 0.000 0.623 432 A CB -0.445 18.461 19.000 -0.157 0.000 0.818 432 A HN 0.177 nan 8.150 nan 0.000 0.443 433 I N -0.572 119.994 120.570 -0.007 0.000 2.252 433 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 433 I C 2.542 178.674 176.117 0.027 0.000 1.102 433 I CA 1.719 63.063 61.300 0.073 0.000 1.385 433 I CB -0.216 37.864 38.000 0.134 0.000 1.064 433 I HN 0.407 nan 8.210 nan 0.000 0.414 434 K N 0.998 121.414 120.400 0.027 0.000 2.063 434 K HA -0.265 4.055 4.320 -0.001 0.000 0.208 434 K C 2.255 178.872 176.600 0.029 0.000 1.048 434 K CA 1.860 58.166 56.287 0.032 0.000 0.928 434 K CB -0.247 32.289 32.500 0.060 0.000 0.713 434 K HN 0.211 nan 8.250 nan 0.000 0.442 435 F N 1.476 121.341 119.950 -0.142 0.000 2.163 435 F HA -0.060 4.466 4.527 -0.001 0.000 0.297 435 F C 2.158 177.876 175.800 -0.135 0.000 1.094 435 F CA 1.143 59.054 58.000 -0.149 0.000 1.290 435 F CB -0.001 38.816 39.000 -0.305 0.000 1.017 435 F HN -0.058 nan 8.300 nan 0.000 0.483 436 R N 0.611 121.082 120.500 -0.049 0.000 2.096 436 R HA -0.188 4.151 4.340 -0.001 0.000 0.240 436 R C 2.204 178.407 176.300 -0.162 0.000 1.139 436 R CA 2.106 58.147 56.100 -0.099 0.000 0.952 436 R CB -0.430 29.842 30.300 -0.047 0.000 0.854 436 R HN 0.280 nan 8.270 nan 0.000 0.436 437 K N 0.517 120.842 120.400 -0.124 0.000 2.097 437 K HA -0.169 4.150 4.320 -0.001 0.000 0.206 437 K C 2.014 178.532 176.600 -0.136 0.000 1.049 437 K CA 1.428 57.646 56.287 -0.115 0.000 0.933 437 K CB -0.025 32.430 32.500 -0.075 0.000 0.717 437 K HN 0.269 nan 8.250 nan 0.000 0.442 438 E N 0.556 120.649 120.200 -0.179 0.000 2.077 438 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 438 E C 1.949 178.420 176.600 -0.215 0.000 0.989 438 E CA 0.836 57.116 56.400 -0.200 0.000 0.800 438 E CB 0.053 29.617 29.700 -0.227 0.000 0.746 438 E HN 0.182 nan 8.360 nan 0.000 0.452 439 I N 1.282 121.677 120.570 -0.292 0.000 2.179 439 I HA -0.244 3.925 4.170 -0.001 0.000 0.242 439 I C 2.103 178.232 176.117 0.019 0.000 1.088 439 I CA 1.284 62.530 61.300 -0.089 0.000 1.357 439 I CB -0.851 37.060 38.000 -0.148 0.000 1.051 439 I HN 0.053 nan 8.210 nan 0.000 0.409 440 K N 0.580 120.947 120.400 -0.055 0.000 2.057 440 K HA -0.188 4.132 4.320 -0.001 0.000 0.207 440 K C 2.111 178.674 176.600 -0.060 0.000 1.049 440 K CA 1.157 57.420 56.287 -0.041 0.000 0.931 440 K CB -0.564 31.889 32.500 -0.079 0.000 0.714 440 K HN 0.334 nan 8.250 nan 0.000 0.440 441 R N 1.015 121.459 120.500 -0.093 0.000 2.070 441 R HA -0.075 4.264 4.340 -0.001 0.000 0.233 441 R C 2.433 178.632 176.300 -0.169 0.000 1.137 441 R CA 1.245 57.277 56.100 -0.113 0.000 0.945 441 R CB -0.360 29.874 30.300 -0.110 0.000 0.845 441 R HN 0.077 nan 8.270 nan 0.000 0.430 442 L N 0.436 121.518 121.223 -0.235 0.000 2.131 442 L HA -0.126 4.213 4.340 -0.001 0.000 0.210 442 L C 2.937 179.443 176.870 -0.607 0.000 1.092 442 L CA 1.375 55.925 54.840 -0.484 0.000 0.759 442 L CB -0.460 41.181 42.059 -0.697 0.000 0.903 442 L HN 0.302 nan 8.230 nan 0.000 0.435 443 R N -0.255 120.085 120.500 -0.267 0.000 2.083 443 R HA -0.185 4.154 4.340 -0.001 0.000 0.237 443 R C 2.172 178.417 176.300 -0.092 0.000 1.137 443 R CA 2.190 58.274 56.100 -0.027 0.000 0.951 443 R CB -0.301 30.102 30.300 0.172 0.000 0.851 443 R HN 0.249 nan 8.270 nan 0.000 0.434 444 T N 0.555 115.050 114.554 -0.098 0.000 2.777 444 T HA -0.091 4.258 4.350 -0.001 0.000 0.266 444 T C 1.336 175.965 174.700 -0.118 0.000 1.040 444 T CA 1.599 63.647 62.100 -0.086 0.000 1.141 444 T CB -0.069 68.756 68.868 -0.072 0.000 0.868 444 T HN 0.457 nan 8.240 nan 0.000 0.444 445 E N 0.799 120.898 120.200 -0.168 0.000 2.299 445 E HA 0.109 4.458 4.350 -0.001 0.000 0.193 445 E C 0.655 177.139 176.600 -0.194 0.000 0.998 445 E CA 0.027 56.328 56.400 -0.165 0.000 0.851 445 E CB 0.243 29.840 29.700 -0.171 0.000 0.795 445 E HN 0.262 nan 8.360 nan 0.000 0.492 446 S N 1.121 116.659 115.700 -0.270 0.000 2.632 446 S HA 0.092 4.562 4.470 -0.001 0.000 0.267 446 S C -0.194 174.292 174.600 -0.189 0.000 1.276 446 S CA -0.689 57.338 58.200 -0.289 0.000 0.998 446 S CB 1.020 63.922 63.200 -0.496 0.000 0.953 446 S HN 0.082 nan 8.310 nan 0.000 0.547 447 D N 0.382 120.683 120.400 -0.165 0.000 2.339 447 D HA 0.506 5.145 4.640 -0.001 0.000 0.241 447 D C 0.781 177.014 176.300 -0.112 0.000 1.183 447 D CA 1.190 55.123 54.000 -0.111 0.000 0.859 447 D CB -0.274 40.474 40.800 -0.086 0.000 1.067 447 D HN 0.724 nan 8.370 nan 0.000 0.484 448 G N 3.529 112.289 108.800 -0.067 0.000 2.499 448 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.232 448 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.232 448 G C 0.052 174.955 174.900 0.005 0.000 1.251 448 G CA -0.276 44.816 45.100 -0.013 0.000 0.917 448 G HN 0.708 nan 8.290 nan 0.000 0.580 449 W N 0.121 121.443 121.300 0.037 0.000 2.148 449 W HA 0.646 5.306 4.660 -0.001 0.000 0.347 449 W C -0.385 176.237 176.519 0.171 0.000 1.288 449 W CA -0.282 57.120 57.345 0.094 0.000 1.252 449 W CB -0.004 29.555 29.460 0.164 0.000 1.156 449 W HN 0.672 nan 8.180 nan 0.000 0.580 450 F N 1.025 120.960 119.950 -0.025 0.000 2.715 450 F HA 0.482 5.008 4.527 -0.001 0.000 0.318 450 F C -0.569 175.252 175.800 0.035 0.000 1.141 450 F CA -1.481 56.344 58.000 -0.293 0.000 0.950 450 F CB 1.171 40.041 39.000 -0.217 0.000 1.374 450 F HN 0.171 nan 8.300 nan 0.000 0.477 451 F N 1.989 121.586 119.950 -0.588 0.000 2.539 451 F HA 0.189 4.715 4.527 -0.001 0.000 0.340 451 F C 0.380 176.179 175.800 -0.000 0.000 1.185 451 F CA 0.491 58.330 58.000 -0.269 0.000 1.333 451 F CB 0.141 38.844 39.000 -0.495 0.000 1.152 451 F HN 0.296 nan 8.300 nan 0.000 0.602 452 D N -0.284 120.258 120.400 0.237 0.000 2.450 452 D HA 0.577 5.217 4.640 -0.001 0.000 0.238 452 D C -1.416 174.984 176.300 0.166 0.000 1.020 452 D CA -0.381 53.731 54.000 0.186 0.000 1.010 452 D CB 2.160 43.057 40.800 0.161 0.000 1.342 452 D HN 0.124 nan 8.370 nan 0.000 0.530 453 V N 1.511 121.496 119.914 0.117 0.000 2.459 453 V HA 0.273 4.393 4.120 -0.001 0.000 0.295 453 V C -0.498 175.686 176.094 0.151 0.000 1.029 453 V CA -1.020 61.354 62.300 0.123 0.000 0.874 453 V CB 1.567 33.410 31.823 0.033 0.000 0.985 453 V HN 0.570 nan 8.190 nan 0.000 0.438 454 W N 6.901 128.219 121.300 0.031 0.000 2.581 454 W HA 0.497 5.157 4.660 -0.001 0.000 0.359 454 W C 0.293 176.826 176.519 0.024 0.000 1.167 454 W CA 0.140 57.554 57.345 0.116 0.000 1.517 454 W CB -0.055 29.489 29.460 0.140 0.000 1.519 454 W HN 0.795 nan 8.180 nan 0.000 0.431 455 Q N 4.662 124.131 119.800 -0.553 0.000 2.804 455 Q HA 0.480 4.820 4.340 -0.001 0.000 0.302 455 Q C -2.981 171.906 176.000 -1.855 0.000 0.885 455 Q CA -2.121 52.869 55.803 -1.356 0.000 0.759 455 Q CB 1.826 30.097 28.738 -0.779 0.000 1.465 455 Q HN -0.027 nan 8.270 nan 0.000 0.432 456 P HA 0.025 nan 4.420 nan 0.000 0.269 456 P C -0.202 176.593 177.300 -0.842 0.000 1.217 456 P CA 0.027 62.244 63.100 -1.472 0.000 0.783 456 P CB 0.410 31.533 31.700 -0.962 0.000 0.898 457 D N -0.651 119.387 120.400 -0.603 0.000 2.149 457 D HA -0.121 4.518 4.640 -0.001 0.000 0.198 457 D C 0.317 176.172 176.300 -0.743 0.000 0.990 457 D CA 1.782 55.414 54.000 -0.613 0.000 0.839 457 D CB -0.178 40.241 40.800 -0.634 0.000 0.948 457 D HN 0.476 nan 8.370 nan 0.000 0.460 458 H N -0.644 118.243 119.070 -0.305 0.000 2.547 458 H HA 0.376 4.931 4.556 -0.001 0.000 0.342 458 H C 0.307 175.375 175.328 -0.433 0.000 1.048 458 H CA -0.620 55.256 56.048 -0.286 0.000 1.204 458 H CB 1.406 31.069 29.762 -0.164 0.000 1.493 458 H HN -0.040 nan 8.280 nan 0.000 0.511 459 I N -0.774 119.595 120.570 -0.336 0.000 3.158 459 I HA 0.202 4.371 4.170 -0.001 0.000 0.344 459 I C 0.160 176.231 176.117 -0.078 0.000 1.459 459 I CA -0.648 60.342 61.300 -0.518 0.000 0.956 459 I CB 0.173 37.590 38.000 -0.973 0.000 1.793 459 I HN 0.187 nan 8.210 nan 0.000 0.522 460 D N -0.416 119.980 120.400 -0.007 0.000 2.324 460 D HA 0.033 4.673 4.640 -0.001 0.000 0.235 460 D C 0.597 176.951 176.300 0.091 0.000 1.095 460 D CA 0.213 54.231 54.000 0.030 0.000 0.871 460 D CB 0.147 40.936 40.800 -0.019 0.000 0.906 460 D HN 0.338 nan 8.370 nan 0.000 0.522 461 T N -0.974 113.702 114.554 0.203 0.000 2.900 461 T HA 0.418 4.768 4.350 -0.001 0.000 0.295 461 T C -0.970 173.889 174.700 0.265 0.000 1.044 461 T CA -0.599 61.620 62.100 0.199 0.000 0.995 461 T CB 1.564 70.546 68.868 0.190 0.000 1.072 461 T HN -0.116 nan 8.240 nan 0.000 0.473 462 T N 5.058 119.658 114.554 0.075 0.000 2.811 462 T HA 0.515 4.865 4.350 -0.001 0.000 0.309 462 T C -0.268 174.298 174.700 -0.224 0.000 1.005 462 T CA -0.457 61.611 62.100 -0.054 0.000 0.955 462 T CB -0.188 68.646 68.868 -0.058 0.000 0.970 462 T HN 0.748 nan 8.240 nan 0.000 0.496 463 E N 0.193 120.094 120.200 -0.498 0.000 2.442 463 E HA 0.379 4.729 4.350 -0.001 0.000 0.278 463 E C -1.363 174.677 176.600 -0.934 0.000 1.082 463 E CA -1.139 54.924 56.400 -0.561 0.000 0.861 463 E CB 0.472 29.983 29.700 -0.313 0.000 1.462 463 E HN 0.323 nan 8.360 nan 0.000 0.458 464 C N 2.171 121.094 119.300 -0.629 0.000 2.322 464 C HA 0.290 4.749 4.460 -0.001 0.000 0.343 464 C C -0.116 174.770 174.990 -0.173 0.000 1.190 464 C CA -0.669 58.067 59.018 -0.471 0.000 1.704 464 C CB -1.521 26.079 27.740 -0.232 0.000 2.293 464 C HN 0.369 nan 8.230 nan 0.000 0.523 465 W N 4.738 126.099 121.300 0.102 0.000 2.308 465 W HA 0.202 4.862 4.660 -0.001 0.000 0.324 465 W C -2.036 174.615 176.519 0.219 0.000 1.387 465 W CA -2.254 55.159 57.345 0.114 0.000 1.250 465 W CB -0.347 29.114 29.460 0.002 0.000 1.257 465 W HN 0.429 nan 8.180 nan 0.000 0.554 466 P HA 0.056 nan 4.420 nan 0.000 0.268 466 P C -0.402 177.032 177.300 0.224 0.000 1.205 466 P CA -0.140 63.085 63.100 0.208 0.000 0.771 466 P CB 0.714 32.514 31.700 0.167 0.000 0.858 467 L N 4.588 125.827 121.223 0.028 0.000 2.281 467 L HA 0.312 4.652 4.340 -0.001 0.000 0.285 467 L C 1.220 178.039 176.870 -0.085 0.000 1.074 467 L CA 0.492 55.300 54.840 -0.053 0.000 0.817 467 L CB -0.000 41.781 42.059 -0.463 0.000 1.168 467 L HN 0.262 nan 8.230 nan 0.000 0.434 468 R N 0.712 121.283 120.500 0.118 0.000 2.637 468 R HA 0.348 4.687 4.340 -0.001 0.000 0.291 468 R C 1.060 177.457 176.300 0.161 0.000 0.963 468 R CA -0.239 55.928 56.100 0.111 0.000 0.901 468 R CB 1.619 32.002 30.300 0.138 0.000 1.160 468 R HN 0.742 nan 8.270 nan 0.000 0.457 469 S N 0.126 115.873 115.700 0.080 0.000 2.447 469 S HA -0.164 4.306 4.470 -0.001 0.000 0.233 469 S C 1.096 175.736 174.600 0.067 0.000 1.006 469 S CA 1.383 59.633 58.200 0.083 0.000 0.957 469 S CB -0.203 63.020 63.200 0.039 0.000 0.773 469 S HN 0.784 nan 8.310 nan 0.000 0.507 470 D N 0.894 121.330 120.400 0.060 0.000 2.328 470 D HA 0.160 4.800 4.640 -0.001 0.000 0.226 470 D C -0.079 176.237 176.300 0.027 0.000 1.066 470 D CA -0.099 53.923 54.000 0.038 0.000 0.861 470 D CB -0.198 40.625 40.800 0.039 0.000 0.912 470 D HN 0.266 nan 8.370 nan 0.000 0.521 471 S N -1.051 114.664 115.700 0.025 0.000 2.503 471 S HA 0.425 4.895 4.470 -0.001 0.000 0.301 471 S C 0.822 175.241 174.600 -0.301 0.000 1.087 471 S CA -0.519 57.662 58.200 -0.031 0.000 1.042 471 S CB 1.872 65.149 63.200 0.129 0.000 1.043 471 S HN 0.324 nan 8.310 nan 0.000 0.489 472 T N -1.453 112.945 114.554 -0.260 0.000 3.040 472 T HA 0.033 4.383 4.350 -0.001 0.000 0.250 472 T C 1.672 176.105 174.700 -0.446 0.000 1.058 472 T CA -0.400 61.484 62.100 -0.359 0.000 0.988 472 T CB -0.222 68.550 68.868 -0.159 0.000 0.993 472 T HN 0.844 nan 8.240 nan 0.000 0.519 473 W N 3.562 124.616 121.300 -0.410 0.000 2.342 473 W HA -0.211 4.449 4.660 -0.001 0.000 0.297 473 W C 1.775 178.104 176.519 -0.317 0.000 1.213 473 W CA 1.294 58.456 57.345 -0.305 0.000 1.251 473 W CB -1.246 28.035 29.460 -0.298 0.000 1.136 473 W HN 0.582 nan 8.180 nan 0.000 0.526 474 H N -0.589 117.780 119.070 -1.167 0.000 2.529 474 H HA 0.225 4.780 4.556 -0.001 0.000 0.277 474 H C 2.048 177.050 175.328 -0.544 0.000 0.999 474 H CA 1.027 56.337 56.048 -1.231 0.000 1.256 474 H CB -0.841 27.937 29.762 -1.640 0.000 1.402 474 H HN 0.232 nan 8.280 nan 0.000 0.566 475 G N 0.806 109.339 108.800 -0.446 0.000 2.184 475 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.264 475 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.264 475 G C -0.154 174.591 174.900 -0.258 0.000 0.975 475 G CA 0.215 45.139 45.100 -0.293 0.000 0.642 475 G HN 0.407 nan 8.290 nan 0.000 0.536 476 F N 1.352 121.465 119.950 0.271 0.000 2.410 476 F HA 0.501 5.028 4.527 -0.001 0.000 0.348 476 F C 1.060 176.935 175.800 0.124 0.000 1.106 476 F CA -0.542 57.569 58.000 0.185 0.000 1.163 476 F CB 1.018 40.079 39.000 0.101 0.000 1.129 476 F HN -0.162 nan 8.300 nan 0.000 0.516 477 K N 2.435 122.985 120.400 0.251 0.000 2.234 477 K HA 0.182 4.502 4.320 -0.001 0.000 0.282 477 K C -0.090 176.587 176.600 0.128 0.000 1.039 477 K CA -0.468 55.902 56.287 0.138 0.000 0.928 477 K CB 0.465 33.017 32.500 0.087 0.000 1.039 477 K HN 0.665 nan 8.250 nan 0.000 0.470 478 N N 1.402 120.156 118.700 0.089 0.000 2.714 478 N HA -0.237 4.503 4.740 -0.001 0.000 0.252 478 N C -0.487 175.049 175.510 0.045 0.000 1.014 478 N CA 0.140 53.225 53.050 0.058 0.000 0.735 478 N CB -1.119 37.394 38.487 0.043 0.000 0.924 478 N HN 0.543 nan 8.380 nan 0.000 0.540 479 I N 0.404 121.007 120.570 0.056 0.000 2.754 479 I HA -0.021 4.148 4.170 -0.001 0.000 0.285 479 I C 0.479 176.568 176.117 -0.047 0.000 1.166 479 I CA -0.082 61.214 61.300 -0.007 0.000 1.417 479 I CB 0.452 38.409 38.000 -0.072 0.000 1.382 479 I HN 0.133 nan 8.210 nan 0.000 0.588 480 D N 6.318 126.662 120.400 -0.094 0.000 2.399 480 D HA 0.093 4.733 4.640 -0.001 0.000 0.241 480 D C -0.262 175.971 176.300 -0.113 0.000 1.133 480 D CA 0.216 54.128 54.000 -0.146 0.000 0.890 480 D CB 0.422 41.021 40.800 -0.335 0.000 1.201 480 D HN 0.426 nan 8.370 nan 0.000 0.432 481 N N 1.051 119.690 118.700 -0.101 0.000 2.495 481 N HA 0.061 4.800 4.740 -0.001 0.000 0.280 481 N C 0.011 175.466 175.510 -0.091 0.000 1.168 481 N CA -0.250 52.752 53.050 -0.081 0.000 0.978 481 N CB 0.783 39.248 38.487 -0.037 0.000 1.191 481 N HN 0.355 nan 8.380 nan 0.000 0.497 482 E N -0.540 119.604 120.200 -0.095 0.000 2.360 482 E HA -0.302 4.048 4.350 -0.001 0.000 0.238 482 E C -0.222 176.329 176.600 -0.083 0.000 1.186 482 E CA 0.588 56.952 56.400 -0.060 0.000 0.719 482 E CB -1.103 28.622 29.700 0.041 0.000 1.236 482 E HN 0.624 nan 8.360 nan 0.000 0.386 483 H N -0.893 117.942 119.070 -0.392 0.000 2.067 483 H HA 0.290 4.845 4.556 -0.001 0.000 0.220 483 H C 0.241 175.313 175.328 -0.427 0.000 0.883 483 H CA 0.692 56.538 56.048 -0.336 0.000 1.042 483 H CB 0.635 30.215 29.762 -0.304 0.000 1.305 483 H HN -0.002 nan 8.280 nan 0.000 0.430 484 M N 0.984 120.164 119.600 -0.700 0.000 2.508 484 M HA 0.326 4.805 4.480 -0.001 0.000 0.327 484 M C -1.429 174.442 176.300 -0.715 0.000 1.160 484 M CA -0.693 54.207 55.300 -0.667 0.000 0.980 484 M CB 1.363 33.645 32.600 -0.529 0.000 1.693 484 M HN 0.208 nan 8.290 nan 0.000 0.452 485 Y N 1.013 121.270 120.300 -0.072 0.000 2.524 485 Y HA 0.628 5.177 4.550 -0.001 0.000 0.347 485 Y C -0.677 175.288 175.900 0.110 0.000 1.005 485 Y CA -1.178 56.946 58.100 0.040 0.000 1.025 485 Y CB 1.634 40.096 38.460 0.003 0.000 1.275 485 Y HN 0.552 nan 8.280 nan 0.000 0.460 486 L N 3.193 124.632 121.223 0.360 0.000 2.264 486 L HA 0.425 4.764 4.340 -0.001 0.000 0.289 486 L C -0.363 176.641 176.870 0.224 0.000 1.044 486 L CA -0.319 54.742 54.840 0.368 0.000 0.807 486 L CB 0.538 42.897 42.059 0.501 0.000 1.192 486 L HN 0.603 nan 8.230 nan 0.000 0.425 487 D N 6.906 127.455 120.400 0.248 0.000 2.358 487 D HA 0.133 4.772 4.640 -0.001 0.000 0.258 487 D C -1.782 174.609 176.300 0.153 0.000 1.223 487 D CA -1.780 52.354 54.000 0.223 0.000 0.886 487 D CB 1.721 42.734 40.800 0.355 0.000 1.120 487 D HN 0.406 nan 8.370 nan 0.000 0.482 488 P HA -0.144 nan 4.420 nan 0.000 0.217 488 P C 1.395 178.779 177.300 0.140 0.000 1.148 488 P CA 1.106 64.191 63.100 -0.025 0.000 0.828 488 P CB -0.096 31.463 31.700 -0.234 0.000 0.783 489 I N -5.106 115.558 120.570 0.156 0.000 3.428 489 I HA 0.095 4.265 4.170 -0.001 0.000 0.286 489 I C 0.102 176.383 176.117 0.273 0.000 1.287 489 I CA 0.737 62.149 61.300 0.186 0.000 1.396 489 I CB -0.322 37.745 38.000 0.112 0.000 1.062 489 I HN -0.336 nan 8.210 nan 0.000 0.471 490 K N 2.656 123.223 120.400 0.278 0.000 2.300 490 K HA 0.437 4.757 4.320 -0.001 0.000 0.264 490 K C -0.907 175.876 176.600 0.306 0.000 1.083 490 K CA -0.508 55.947 56.287 0.280 0.000 0.958 490 K CB 1.594 34.245 32.500 0.252 0.000 1.318 490 K HN 0.005 nan 8.250 nan 0.000 0.448 491 V N 3.065 123.182 119.914 0.337 0.000 2.364 491 V HA 0.180 4.299 4.120 -0.001 0.000 0.272 491 V C 0.276 176.586 176.094 0.360 0.000 1.036 491 V CA -0.438 62.072 62.300 0.350 0.000 0.880 491 V CB 1.239 33.268 31.823 0.344 0.000 0.991 491 V HN 0.546 nan 8.190 nan 0.000 0.460 492 T N 7.312 122.066 114.554 0.333 0.000 2.743 492 T HA 0.548 4.898 4.350 -0.001 0.000 0.292 492 T C -0.139 174.711 174.700 0.251 0.000 0.972 492 T CA -0.208 62.035 62.100 0.238 0.000 0.967 492 T CB 0.458 69.447 68.868 0.202 0.000 0.926 492 T HN 0.331 nan 8.240 nan 0.000 0.459 493 L N 4.256 125.612 121.223 0.222 0.000 2.325 493 L HA 0.580 4.919 4.340 -0.001 0.000 0.279 493 L C -0.297 176.631 176.870 0.097 0.000 1.054 493 L CA -0.930 54.032 54.840 0.204 0.000 0.804 493 L CB 1.068 43.272 42.059 0.242 0.000 1.200 493 L HN 0.369 nan 8.230 nan 0.000 0.436 494 L N 2.056 123.349 121.223 0.116 0.000 2.329 494 L HA 0.519 4.859 4.340 -0.001 0.000 0.279 494 L C 0.293 177.261 176.870 0.164 0.000 1.014 494 L CA -0.559 54.296 54.840 0.025 0.000 0.814 494 L CB 2.051 44.088 42.059 -0.037 0.000 1.257 494 L HN 0.643 nan 8.230 nan 0.000 0.424 495 T N -0.180 114.457 114.554 0.140 0.000 2.943 495 T HA 0.586 4.936 4.350 -0.001 0.000 0.284 495 T C -2.630 172.081 174.700 0.019 0.000 1.015 495 T CA -2.231 59.912 62.100 0.072 0.000 1.042 495 T CB 1.568 70.450 68.868 0.024 0.000 1.055 495 T HN 0.199 nan 8.240 nan 0.000 0.500 496 P HA 0.434 nan 4.420 nan 0.000 0.269 496 P C 0.866 177.946 177.300 -0.367 0.000 1.209 496 P CA 0.359 63.322 63.100 -0.229 0.000 0.776 496 P CB 0.605 32.089 31.700 -0.360 0.000 0.876 497 G N 0.715 109.258 108.800 -0.428 0.000 3.655 497 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.219 497 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.219 497 G C -0.246 174.305 174.900 -0.583 0.000 0.933 497 G CA -0.272 44.410 45.100 -0.695 0.000 0.856 497 G HN 0.407 nan 8.290 nan 0.000 0.523 498 M N 1.498 120.826 119.600 -0.453 0.000 2.464 498 M HA 0.531 5.011 4.480 -0.001 0.000 0.308 498 M C -0.773 175.424 176.300 -0.172 0.000 1.127 498 M CA -0.830 54.272 55.300 -0.329 0.000 0.913 498 M CB 2.354 34.671 32.600 -0.471 0.000 1.689 498 M HN -0.063 nan 8.290 nan 0.000 0.445 499 E N 1.340 121.451 120.200 -0.149 0.000 2.312 499 E HA 0.246 4.596 4.350 -0.001 0.000 0.259 499 E C 0.228 176.770 176.600 -0.097 0.000 1.122 499 E CA -0.212 56.136 56.400 -0.087 0.000 0.922 499 E CB 1.028 30.686 29.700 -0.071 0.000 1.109 499 E HN 0.537 nan 8.360 nan 0.000 0.442 500 K N 0.535 120.903 120.400 -0.053 0.000 2.209 500 K HA -0.135 4.184 4.320 -0.001 0.000 0.204 500 K C 0.938 177.484 176.600 -0.089 0.000 1.048 500 K CA 1.150 57.407 56.287 -0.050 0.000 0.940 500 K CB 0.075 32.562 32.500 -0.021 0.000 0.729 500 K HN 0.320 nan 8.250 nan 0.000 0.451 501 D N -0.310 120.035 120.400 -0.092 0.000 2.309 501 D HA -0.085 4.555 4.640 -0.001 0.000 0.212 501 D C 1.288 177.502 176.300 -0.144 0.000 0.968 501 D CA 1.306 55.244 54.000 -0.104 0.000 0.882 501 D CB -0.094 40.654 40.800 -0.085 0.000 0.918 501 D HN 0.436 nan 8.370 nan 0.000 0.503 502 G N 0.333 109.021 108.800 -0.186 0.000 2.157 502 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.248 502 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.248 502 G C 0.630 175.410 174.900 -0.200 0.000 0.979 502 G CA 0.731 45.686 45.100 -0.241 0.000 0.650 502 G HN 0.544 nan 8.290 nan 0.000 0.529 503 T N -1.111 113.350 114.554 -0.155 0.000 2.816 503 T HA 0.736 5.085 4.350 -0.001 0.000 0.282 503 T C 0.714 175.339 174.700 -0.125 0.000 0.993 503 T CA -0.682 61.347 62.100 -0.119 0.000 0.994 503 T CB 1.376 70.194 68.868 -0.084 0.000 1.025 503 T HN 0.109 nan 8.240 nan 0.000 0.529 504 M N 1.813 121.359 119.600 -0.091 0.000 2.249 504 M HA 0.386 4.865 4.480 -0.001 0.000 0.351 504 M C 0.315 176.597 176.300 -0.031 0.000 1.180 504 M CA -0.431 54.822 55.300 -0.079 0.000 1.127 504 M CB 0.999 33.559 32.600 -0.067 0.000 1.546 504 M HN 0.723 nan 8.290 nan 0.000 0.461 505 S N 1.168 116.864 115.700 -0.007 0.000 2.632 505 S HA 0.092 4.562 4.470 -0.001 0.000 0.271 505 S C 0.885 175.573 174.600 0.147 0.000 1.260 505 S CA -0.635 57.583 58.200 0.030 0.000 1.010 505 S CB 1.149 64.326 63.200 -0.038 0.000 0.965 505 S HN 0.707 nan 8.310 nan 0.000 0.534 506 D N 0.283 120.758 120.400 0.124 0.000 2.117 506 D HA -0.070 4.569 4.640 -0.001 0.000 0.198 506 D C 0.055 176.473 176.300 0.196 0.000 0.982 506 D CA 0.919 55.019 54.000 0.166 0.000 0.828 506 D CB 0.074 40.944 40.800 0.117 0.000 0.967 506 D HN 0.370 nan 8.370 nan 0.000 0.464 507 F N 0.224 120.132 119.950 -0.071 0.000 2.415 507 F HA 0.605 5.131 4.527 -0.001 0.000 0.348 507 F C 0.162 175.661 175.800 -0.501 0.000 1.119 507 F CA -0.494 57.382 58.000 -0.206 0.000 1.069 507 F CB 1.472 40.391 39.000 -0.136 0.000 1.124 507 F HN -0.085 nan 8.300 nan 0.000 0.472 508 G N 6.498 114.401 108.800 -1.495 0.000 2.667 508 G HA2 0.605 4.564 3.960 -0.001 0.000 0.298 508 G HA3 0.605 4.564 3.960 -0.001 0.000 0.298 508 G C -1.823 172.420 174.900 -1.095 0.000 1.377 508 G CA -0.794 43.395 45.100 -1.518 0.000 0.964 508 G HN 0.656 nan 8.290 nan 0.000 0.493 509 I N 2.206 122.307 120.570 -0.781 0.000 2.437 509 I HA 0.248 4.418 4.170 -0.001 0.000 0.279 509 I C -2.423 173.570 176.117 -0.208 0.000 1.028 509 I CA -2.062 58.915 61.300 -0.538 0.000 1.142 509 I CB 2.404 39.890 38.000 -0.857 0.000 1.266 509 I HN 0.121 nan 8.210 nan 0.000 0.461 510 P HA -0.032 nan 4.420 nan 0.000 0.262 510 P C 0.744 177.939 177.300 -0.175 0.000 1.182 510 P CA 0.206 63.145 63.100 -0.269 0.000 0.761 510 P CB 1.000 32.580 31.700 -0.200 0.000 0.795 511 A N 3.479 126.176 122.820 -0.206 0.000 2.024 511 A HA -0.194 4.125 4.320 -0.001 0.000 0.220 511 A C 2.141 179.689 177.584 -0.059 0.000 1.164 511 A CA 2.096 54.067 52.037 -0.110 0.000 0.643 511 A CB -1.522 17.411 19.000 -0.111 0.000 0.806 511 A HN 0.605 nan 8.150 nan 0.000 0.451 512 S N 0.307 115.998 115.700 -0.014 0.000 2.383 512 S HA -0.179 4.291 4.470 -0.001 0.000 0.229 512 S C 1.796 176.501 174.600 0.176 0.000 1.030 512 S CA 1.535 59.789 58.200 0.091 0.000 1.002 512 S CB -0.781 62.557 63.200 0.230 0.000 0.829 512 S HN 0.519 nan 8.310 nan 0.000 0.467 513 I N 1.397 122.103 120.570 0.225 0.000 2.252 513 I HA -0.116 4.054 4.170 -0.001 0.000 0.245 513 I C 2.435 178.666 176.117 0.191 0.000 1.102 513 I CA 0.917 62.393 61.300 0.294 0.000 1.385 513 I CB -0.471 37.702 38.000 0.289 0.000 1.064 513 I HN 0.203 nan 8.210 nan 0.000 0.414 514 V N 1.078 120.947 119.914 -0.074 0.000 2.343 514 V HA -0.288 3.831 4.120 -0.001 0.000 0.247 514 V C 2.753 178.860 176.094 0.022 0.000 1.051 514 V CA 1.934 64.056 62.300 -0.297 0.000 1.036 514 V CB -1.130 30.467 31.823 -0.378 0.000 0.654 514 V HN 0.490 nan 8.190 nan 0.000 0.451 515 A N -0.135 122.700 122.820 0.025 0.000 1.883 515 A HA -0.267 4.053 4.320 -0.001 0.000 0.217 515 A C 2.316 179.945 177.584 0.075 0.000 1.186 515 A CA 2.149 54.207 52.037 0.035 0.000 0.624 515 A CB -0.475 18.510 19.000 -0.025 0.000 0.822 515 A HN 0.542 nan 8.150 nan 0.000 0.444 516 K N -1.916 118.540 120.400 0.092 0.000 2.057 516 K HA -0.172 4.148 4.320 -0.001 0.000 0.207 516 K C 1.979 178.696 176.600 0.195 0.000 1.049 516 K CA 1.695 58.039 56.287 0.095 0.000 0.931 516 K CB -0.383 32.164 32.500 0.078 0.000 0.714 516 K HN 0.609 nan 8.250 nan 0.000 0.440 517 Y N 1.801 122.227 120.300 0.210 0.000 2.128 517 Y HA -0.221 4.329 4.550 -0.001 0.000 0.284 517 Y C 1.815 177.912 175.900 0.328 0.000 1.154 517 Y CA 1.449 59.751 58.100 0.337 0.000 1.149 517 Y CB -0.247 38.545 38.460 0.554 0.000 0.976 517 Y HN -0.059 nan 8.280 nan 0.000 0.505 518 L N -0.214 121.166 121.223 0.263 0.000 2.083 518 L HA -0.221 4.119 4.340 -0.001 0.000 0.209 518 L C 2.160 179.076 176.870 0.077 0.000 1.083 518 L CA 1.836 56.776 54.840 0.166 0.000 0.752 518 L CB -0.638 41.536 42.059 0.192 0.000 0.899 518 L HN 0.226 nan 8.230 nan 0.000 0.433 519 D N -0.197 120.234 120.400 0.051 0.000 2.144 519 D HA -0.200 4.440 4.640 -0.001 0.000 0.199 519 D C 2.093 178.360 176.300 -0.055 0.000 0.984 519 D CA 0.863 54.866 54.000 0.004 0.000 0.834 519 D CB 0.174 40.972 40.800 -0.003 0.000 0.955 519 D HN 0.165 nan 8.370 nan 0.000 0.465 520 E N -0.338 119.796 120.200 -0.110 0.000 2.171 520 E HA -0.204 4.146 4.350 -0.001 0.000 0.197 520 E C 1.116 177.442 176.600 -0.457 0.000 0.997 520 E CA 1.125 57.353 56.400 -0.286 0.000 0.810 520 E CB -0.382 29.071 29.700 -0.411 0.000 0.738 520 E HN 0.633 nan 8.360 nan 0.000 0.467 521 H N -1.125 117.847 119.070 -0.163 0.000 2.505 521 H HA 0.298 4.854 4.556 -0.001 0.000 0.289 521 H C 0.954 176.250 175.328 -0.054 0.000 1.052 521 H CA 0.442 56.418 56.048 -0.119 0.000 1.156 521 H CB 0.574 30.237 29.762 -0.165 0.000 1.507 521 H HN 0.257 nan 8.280 nan 0.000 0.548 522 G N 1.039 109.838 108.800 -0.001 0.000 2.179 522 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.257 522 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.257 522 G C 0.004 174.924 174.900 0.034 0.000 1.010 522 G CA 0.124 45.231 45.100 0.012 0.000 0.736 522 G HN 0.412 nan 8.290 nan 0.000 0.513 523 I N 0.771 121.373 120.570 0.053 0.000 2.330 523 I HA 0.338 4.507 4.170 -0.001 0.000 0.289 523 I C 0.535 176.701 176.117 0.081 0.000 1.001 523 I CA -1.054 60.289 61.300 0.071 0.000 1.193 523 I CB 1.766 39.821 38.000 0.091 0.000 1.345 523 I HN -0.127 nan 8.210 nan 0.000 0.461 524 V N 7.543 127.497 119.914 0.067 0.000 2.530 524 V HA 0.154 4.274 4.120 -0.001 0.000 0.282 524 V C 0.281 176.395 176.094 0.033 0.000 1.048 524 V CA -0.508 61.818 62.300 0.043 0.000 0.997 524 V CB 1.572 33.416 31.823 0.034 0.000 0.987 524 V HN 0.360 nan 8.190 nan 0.000 0.477 525 V N 4.652 124.543 119.914 -0.038 0.000 2.385 525 V HA 0.174 4.293 4.120 -0.001 0.000 0.269 525 V C 1.190 177.167 176.094 -0.193 0.000 1.043 525 V CA -0.145 62.033 62.300 -0.203 0.000 0.906 525 V CB 1.158 32.842 31.823 -0.232 0.000 0.995 525 V HN 1.020 nan 8.190 nan 0.000 0.467 526 E N 4.630 124.689 120.200 -0.235 0.000 2.038 526 E HA -0.145 4.205 4.350 -0.001 0.000 0.195 526 E C 0.869 177.350 176.600 -0.198 0.000 1.000 526 E CA 1.687 58.008 56.400 -0.131 0.000 0.803 526 E CB 0.187 29.823 29.700 -0.107 0.000 0.750 526 E HN 0.651 nan 8.360 nan 0.000 0.448 527 K N -1.223 118.961 120.400 -0.361 0.000 2.523 527 K HA 0.333 4.652 4.320 -0.001 0.000 0.257 527 K C -1.617 174.777 176.600 -0.343 0.000 0.932 527 K CA -0.457 55.584 56.287 -0.409 0.000 0.812 527 K CB 1.971 34.001 32.500 -0.783 0.000 1.326 527 K HN 0.042 nan 8.250 nan 0.000 0.433 528 T N 1.240 115.652 114.554 -0.238 0.000 2.900 528 T HA 0.736 5.085 4.350 -0.001 0.000 0.295 528 T C -0.600 174.018 174.700 -0.137 0.000 1.044 528 T CA -0.404 61.579 62.100 -0.194 0.000 0.995 528 T CB 1.410 70.188 68.868 -0.151 0.000 1.072 528 T HN 0.726 nan 8.240 nan 0.000 0.473 529 G N 2.992 111.708 108.800 -0.140 0.000 3.013 529 G HA2 0.604 4.564 3.960 -0.001 0.000 0.278 529 G HA3 0.604 4.564 3.960 -0.001 0.000 0.278 529 G C -1.953 172.881 174.900 -0.109 0.000 1.353 529 G CA -1.511 43.533 45.100 -0.093 0.000 1.043 529 G HN 0.495 nan 8.290 nan 0.000 0.523 530 P HA -0.116 nan 4.420 nan 0.000 0.216 530 P C 0.037 176.936 177.300 -0.669 0.000 1.157 530 P CA 1.643 64.547 63.100 -0.326 0.000 0.880 530 P CB -0.002 31.605 31.700 -0.155 0.000 0.791 531 Y N -2.073 118.264 120.300 0.061 0.000 2.721 531 Y HA 0.243 4.793 4.550 -0.001 0.000 0.251 531 Y C 0.641 176.469 175.900 -0.120 0.000 1.136 531 Y CA -0.818 57.299 58.100 0.028 0.000 1.142 531 Y CB -0.076 38.498 38.460 0.190 0.000 1.212 531 Y HN 0.014 nan 8.280 nan 0.000 0.565 532 N N 0.339 118.983 118.700 -0.095 0.000 2.284 532 N HA 0.642 5.382 4.740 -0.001 0.000 0.289 532 N C -1.581 173.824 175.510 -0.176 0.000 1.179 532 N CA -0.634 52.299 53.050 -0.194 0.000 0.774 532 N CB 2.529 40.803 38.487 -0.355 0.000 1.548 532 N HN 0.122 nan 8.380 nan 0.000 0.473 533 L N 0.617 121.737 121.223 -0.172 0.000 2.436 533 L HA 0.480 4.819 4.340 -0.001 0.000 0.268 533 L C -1.145 175.496 176.870 -0.382 0.000 0.974 533 L CA -0.911 53.758 54.840 -0.285 0.000 0.826 533 L CB 2.202 44.150 42.059 -0.186 0.000 1.291 533 L HN 0.474 nan 8.230 nan 0.000 0.406 534 L N 2.976 123.862 121.223 -0.563 0.000 2.307 534 L HA 0.675 5.014 4.340 -0.001 0.000 0.284 534 L C -1.423 175.018 176.870 -0.715 0.000 1.023 534 L CA 0.184 54.757 54.840 -0.445 0.000 0.810 534 L CB 1.099 42.941 42.059 -0.361 0.000 1.231 534 L HN 0.275 nan 8.230 nan 0.000 0.423 535 F N 5.174 125.147 119.950 0.040 0.000 2.529 535 F HA 0.508 5.034 4.527 -0.001 0.000 0.320 535 F C -0.517 175.351 175.800 0.113 0.000 1.118 535 F CA -0.699 57.318 58.000 0.029 0.000 0.915 535 F CB 1.611 40.633 39.000 0.037 0.000 1.161 535 F HN 0.165 nan 8.300 nan 0.000 0.445 536 L N 4.050 125.373 121.223 0.165 0.000 2.255 536 L HA 0.326 4.666 4.340 -0.001 0.000 0.289 536 L C -0.744 176.169 176.870 0.072 0.000 1.046 536 L CA -0.423 54.520 54.840 0.171 0.000 0.816 536 L CB 0.558 42.698 42.059 0.134 0.000 1.197 536 L HN 0.569 nan 8.230 nan 0.000 0.427 537 F N 1.977 121.956 119.950 0.048 0.000 2.606 537 F HA 0.099 4.626 4.527 -0.001 0.000 0.347 537 F C 1.409 177.204 175.800 -0.008 0.000 1.207 537 F CA -0.407 57.592 58.000 -0.002 0.000 1.306 537 F CB 0.028 39.018 39.000 -0.016 0.000 1.657 537 F HN 0.497 nan 8.300 nan 0.000 0.606 538 S N 0.784 116.515 115.700 0.052 0.000 2.641 538 S HA 0.241 4.711 4.470 -0.001 0.000 0.261 538 S C 1.612 176.225 174.600 0.021 0.000 1.257 538 S CA -0.571 57.655 58.200 0.043 0.000 0.983 538 S CB 0.635 63.883 63.200 0.079 0.000 0.990 538 S HN 0.528 nan 8.310 nan 0.000 0.572 539 I N -1.795 118.788 120.570 0.021 0.000 2.676 539 I HA 0.211 4.381 4.170 -0.001 0.000 0.259 539 I C 2.190 178.316 176.117 0.016 0.000 1.194 539 I CA 0.826 62.136 61.300 0.016 0.000 1.473 539 I CB -1.426 36.584 38.000 0.017 0.000 1.096 539 I HN 0.723 nan 8.210 nan 0.000 0.443 540 G N 2.922 111.735 108.800 0.022 0.000 2.596 540 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.223 540 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.223 540 G C 0.919 175.807 174.900 -0.020 0.000 1.120 540 G CA 0.683 45.787 45.100 0.007 0.000 0.752 540 G HN 0.365 nan 8.290 nan 0.000 0.596 541 I N 2.474 123.014 120.570 -0.049 0.000 2.301 541 I HA 0.236 4.406 4.170 -0.001 0.000 0.292 541 I C -0.212 175.876 176.117 -0.048 0.000 1.046 541 I CA -1.266 59.969 61.300 -0.109 0.000 1.282 541 I CB 0.463 38.298 38.000 -0.275 0.000 1.409 541 I HN 0.263 nan 8.210 nan 0.000 0.484 542 D N 5.920 126.302 120.400 -0.031 0.000 2.478 542 D HA 0.246 4.886 4.640 -0.001 0.000 0.263 542 D C 1.035 177.349 176.300 0.023 0.000 1.153 542 D CA -0.699 53.306 54.000 0.007 0.000 1.038 542 D CB 0.770 41.575 40.800 0.008 0.000 1.120 542 D HN 0.455 nan 8.370 nan 0.000 0.564 543 K N -1.253 119.174 120.400 0.045 0.000 2.211 543 K HA -0.160 4.159 4.320 -0.001 0.000 0.204 543 K C 1.480 178.112 176.600 0.053 0.000 1.047 543 K CA 1.274 57.600 56.287 0.065 0.000 0.935 543 K CB -0.625 31.911 32.500 0.060 0.000 0.728 543 K HN 0.327 nan 8.250 nan 0.000 0.452 544 T N 1.358 115.931 114.554 0.030 0.000 2.812 544 T HA -0.024 4.326 4.350 -0.001 0.000 0.264 544 T C 1.565 176.271 174.700 0.011 0.000 1.042 544 T CA 1.334 63.448 62.100 0.024 0.000 1.140 544 T CB -0.005 68.873 68.868 0.016 0.000 0.870 544 T HN 0.332 nan 8.240 nan 0.000 0.445 545 K N 0.988 121.378 120.400 -0.017 0.000 2.097 545 K HA 0.122 4.442 4.320 -0.001 0.000 0.205 545 K C 2.521 179.071 176.600 -0.085 0.000 1.050 545 K CA 0.981 57.233 56.287 -0.060 0.000 0.938 545 K CB -0.152 32.288 32.500 -0.100 0.000 0.718 545 K HN 0.226 nan 8.250 nan 0.000 0.442 546 A N 1.307 124.102 122.820 -0.043 0.000 1.898 546 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 546 A C 2.087 179.761 177.584 0.149 0.000 1.181 546 A CA 1.201 53.264 52.037 0.043 0.000 0.620 546 A CB -0.569 18.569 19.000 0.230 0.000 0.819 546 A HN 0.147 nan 8.150 nan 0.000 0.442 547 L N -0.496 120.797 121.223 0.117 0.000 2.093 547 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 547 L C 2.821 179.745 176.870 0.090 0.000 1.085 547 L CA 1.298 56.207 54.840 0.115 0.000 0.755 547 L CB -0.321 41.786 42.059 0.080 0.000 0.904 547 L HN 0.315 nan 8.230 nan 0.000 0.435 548 S N 0.043 115.774 115.700 0.052 0.000 2.368 548 S HA -0.174 4.296 4.470 -0.001 0.000 0.225 548 S C 1.808 176.429 174.600 0.036 0.000 1.030 548 S CA 1.284 59.507 58.200 0.038 0.000 0.999 548 S CB -0.304 62.906 63.200 0.017 0.000 0.844 548 S HN 0.263 nan 8.310 nan 0.000 0.459 549 L N 1.609 122.834 121.223 0.004 0.000 2.005 549 L HA 0.036 4.376 4.340 -0.001 0.000 0.207 549 L C 2.073 179.000 176.870 0.095 0.000 1.072 549 L CA 1.488 56.306 54.840 -0.035 0.000 0.744 549 L CB -0.888 41.022 42.059 -0.248 0.000 0.895 549 L HN 0.232 nan 8.230 nan 0.000 0.433 550 L N -0.149 121.225 121.223 0.251 0.000 2.043 550 L HA -0.236 4.104 4.340 -0.001 0.000 0.212 550 L C 2.778 179.739 176.870 0.151 0.000 1.075 550 L CA 2.108 57.089 54.840 0.234 0.000 0.752 550 L CB -0.681 41.504 42.059 0.210 0.000 0.891 550 L HN 0.374 nan 8.230 nan 0.000 0.432 551 R N -0.309 120.263 120.500 0.121 0.000 2.096 551 R HA -0.070 4.270 4.340 -0.001 0.000 0.235 551 R C 2.140 178.516 176.300 0.127 0.000 1.127 551 R CA 1.573 57.737 56.100 0.106 0.000 0.968 551 R CB -0.766 29.580 30.300 0.077 0.000 0.861 551 R HN 0.452 nan 8.270 nan 0.000 0.440 552 A N 0.410 123.299 122.820 0.115 0.000 1.902 552 A HA -0.094 4.226 4.320 -0.001 0.000 0.217 552 A C 2.208 179.964 177.584 0.286 0.000 1.181 552 A CA 1.501 53.636 52.037 0.165 0.000 0.623 552 A CB -0.585 18.482 19.000 0.112 0.000 0.818 552 A HN 0.357 nan 8.150 nan 0.000 0.443 553 L N -0.160 121.171 121.223 0.181 0.000 2.056 553 L HA -0.162 4.178 4.340 -0.001 0.000 0.207 553 L C 3.063 180.188 176.870 0.424 0.000 1.078 553 L CA 1.829 56.773 54.840 0.175 0.000 0.749 553 L CB -1.016 40.947 42.059 -0.160 0.000 0.901 553 L HN 0.655 nan 8.230 nan 0.000 0.433 554 T N -3.865 110.909 114.554 0.367 0.000 2.788 554 T HA -0.201 4.149 4.350 -0.001 0.000 0.268 554 T C 1.578 176.425 174.700 0.244 0.000 1.044 554 T CA 1.419 63.729 62.100 0.350 0.000 1.139 554 T CB -0.351 68.633 68.868 0.192 0.000 0.867 554 T HN 0.174 nan 8.240 nan 0.000 0.454 555 D N 0.292 120.821 120.400 0.216 0.000 2.144 555 D HA 0.015 4.654 4.640 -0.001 0.000 0.200 555 D C 1.549 177.892 176.300 0.072 0.000 0.978 555 D CA 0.555 54.654 54.000 0.166 0.000 0.833 555 D CB -0.506 40.413 40.800 0.198 0.000 0.961 555 D HN 0.463 nan 8.370 nan 0.000 0.470 556 F N 1.880 121.793 119.950 -0.062 0.000 2.095 556 F HA -0.197 4.330 4.527 -0.001 0.000 0.298 556 F C 2.248 178.086 175.800 0.063 0.000 1.104 556 F CA 1.641 59.439 58.000 -0.337 0.000 1.232 556 F CB -0.005 38.930 39.000 -0.110 0.000 0.987 556 F HN -0.202 nan 8.300 nan 0.000 0.475 557 K N 0.396 120.966 120.400 0.284 0.000 2.026 557 K HA -0.251 4.068 4.320 -0.001 0.000 0.208 557 K C 2.519 179.175 176.600 0.093 0.000 1.048 557 K CA 1.552 57.938 56.287 0.165 0.000 0.929 557 K CB -0.383 32.057 32.500 -0.100 0.000 0.713 557 K HN 0.256 nan 8.250 nan 0.000 0.439 558 R N 0.134 120.664 120.500 0.050 0.000 2.083 558 R HA -0.157 4.183 4.340 -0.001 0.000 0.237 558 R C 2.110 178.414 176.300 0.007 0.000 1.137 558 R CA 1.699 57.816 56.100 0.029 0.000 0.951 558 R CB -0.375 29.946 30.300 0.035 0.000 0.851 558 R HN 0.314 nan 8.270 nan 0.000 0.434 559 A N -0.053 122.735 122.820 -0.053 0.000 1.968 559 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 559 A C 1.937 179.452 177.584 -0.115 0.000 1.169 559 A CA 0.841 52.831 52.037 -0.077 0.000 0.638 559 A CB -0.618 18.332 19.000 -0.084 0.000 0.812 559 A HN 0.527 nan 8.150 nan 0.000 0.446 560 F N 1.243 120.988 119.950 -0.341 0.000 2.113 560 F HA -0.171 4.356 4.527 -0.001 0.000 0.297 560 F C 1.632 177.415 175.800 -0.028 0.000 1.103 560 F CA 2.069 59.907 58.000 -0.270 0.000 1.248 560 F CB -0.043 38.745 39.000 -0.353 0.000 0.999 560 F HN 0.216 nan 8.300 nan 0.000 0.475 561 D N 0.498 121.017 120.400 0.198 0.000 2.219 561 D HA -0.121 4.518 4.640 -0.001 0.000 0.205 561 D C 2.231 178.520 176.300 -0.018 0.000 0.970 561 D CA 1.090 55.170 54.000 0.135 0.000 0.851 561 D CB -0.365 40.550 40.800 0.191 0.000 0.943 561 D HN 0.345 nan 8.370 nan 0.000 0.488 562 L N 0.051 121.251 121.223 -0.038 0.000 2.465 562 L HA -0.039 4.301 4.340 -0.001 0.000 0.224 562 L C 0.437 177.251 176.870 -0.093 0.000 1.145 562 L CA 0.011 54.820 54.840 -0.052 0.000 0.834 562 L CB -0.374 41.668 42.059 -0.029 0.000 0.944 562 L HN 0.008 nan 8.230 nan 0.000 0.451 563 N N 0.778 119.373 118.700 -0.175 0.000 2.738 563 N HA -0.200 4.539 4.740 -0.001 0.000 0.249 563 N C -0.200 175.238 175.510 -0.120 0.000 1.047 563 N CA 0.381 53.304 53.050 -0.212 0.000 0.707 563 N CB -1.290 37.089 38.487 -0.181 0.000 0.937 563 N HN 0.210 nan 8.380 nan 0.000 0.545 564 L N 0.227 121.396 121.223 -0.090 0.000 2.492 564 L HA 0.086 4.426 4.340 -0.001 0.000 0.280 564 L C 1.483 178.341 176.870 -0.020 0.000 1.240 564 L CA -0.124 54.694 54.840 -0.036 0.000 0.831 564 L CB 0.222 42.280 42.059 -0.002 0.000 1.100 564 L HN 0.106 nan 8.230 nan 0.000 0.505 565 R N 1.002 121.499 120.500 -0.005 0.000 2.623 565 R HA 0.013 4.352 4.340 -0.001 0.000 0.271 565 R C 1.129 177.448 176.300 0.032 0.000 1.043 565 R CA -0.176 55.930 56.100 0.010 0.000 1.083 565 R CB 0.607 30.898 30.300 -0.015 0.000 0.974 565 R HN 0.469 nan 8.270 nan 0.000 0.436 566 V N 3.642 123.602 119.914 0.076 0.000 2.324 566 V HA -0.327 3.793 4.120 -0.001 0.000 0.250 566 V C 2.581 178.709 176.094 0.056 0.000 1.060 566 V CA 2.211 64.571 62.300 0.099 0.000 1.042 566 V CB -0.538 31.373 31.823 0.147 0.000 0.650 566 V HN 0.782 nan 8.190 nan 0.000 0.450 567 K N -0.003 120.373 120.400 -0.041 0.000 2.127 567 K HA -0.258 4.062 4.320 -0.001 0.000 0.208 567 K C 1.836 178.313 176.600 -0.204 0.000 1.047 567 K CA 2.108 58.168 56.287 -0.377 0.000 0.927 567 K CB -0.115 32.004 32.500 -0.635 0.000 0.716 567 K HN 0.497 nan 8.250 nan 0.000 0.450 568 N N -0.273 118.381 118.700 -0.078 0.000 2.432 568 N HA -0.026 4.713 4.740 -0.001 0.000 0.174 568 N C 1.572 177.122 175.510 0.066 0.000 1.037 568 N CA 0.843 53.883 53.050 -0.016 0.000 0.892 568 N CB 0.064 38.546 38.487 -0.007 0.000 1.049 568 N HN 0.266 nan 8.380 nan 0.000 0.442 569 M N 0.007 119.670 119.600 0.105 0.000 2.357 569 M HA 0.156 4.635 4.480 -0.001 0.000 0.266 569 M C -0.248 176.212 176.300 0.266 0.000 1.095 569 M CA 1.050 56.481 55.300 0.218 0.000 1.156 569 M CB 0.487 33.207 32.600 0.199 0.000 1.365 569 M HN -0.118 nan 8.290 nan 0.000 0.447 570 L N 1.217 122.549 121.223 0.182 0.000 2.732 570 L HA 0.295 4.635 4.340 -0.001 0.000 0.246 570 L C -1.948 174.992 176.870 0.117 0.000 1.407 570 L CA -1.371 53.564 54.840 0.159 0.000 0.861 570 L CB 0.380 42.537 42.059 0.163 0.000 1.161 570 L HN 0.011 nan 8.230 nan 0.000 0.510 571 P HA -0.117 nan 4.420 nan 0.000 0.218 571 P C 1.378 178.779 177.300 0.168 0.000 1.148 571 P CA 1.159 64.344 63.100 0.142 0.000 0.822 571 P CB 0.399 32.148 31.700 0.081 0.000 0.784 572 S N 0.145 115.894 115.700 0.082 0.000 2.382 572 S HA -0.124 4.346 4.470 -0.001 0.000 0.228 572 S C 1.899 176.530 174.600 0.052 0.000 1.027 572 S CA 0.927 59.160 58.200 0.053 0.000 0.991 572 S CB -1.198 62.007 63.200 0.008 0.000 0.823 572 S HN 0.082 nan 8.310 nan 0.000 0.469 573 L N 1.000 122.246 121.223 0.038 0.000 2.017 573 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 573 L C 2.091 178.984 176.870 0.039 0.000 1.073 573 L CA 1.718 56.547 54.840 -0.018 0.000 0.745 573 L CB -0.992 41.005 42.059 -0.103 0.000 0.894 573 L HN 0.354 nan 8.230 nan 0.000 0.432 574 Y N 0.518 120.806 120.300 -0.019 0.000 2.114 574 Y HA -0.274 4.276 4.550 -0.001 0.000 0.282 574 Y C 2.600 178.615 175.900 0.191 0.000 1.165 574 Y CA 2.089 60.266 58.100 0.128 0.000 1.148 574 Y CB -0.229 38.298 38.460 0.112 0.000 0.972 574 Y HN 0.157 nan 8.280 nan 0.000 0.504 575 R N 0.298 120.801 120.500 0.006 0.000 2.153 575 R HA -0.093 4.247 4.340 -0.001 0.000 0.218 575 R C 2.029 178.304 176.300 -0.042 0.000 1.072 575 R CA 0.982 57.025 56.100 -0.095 0.000 0.990 575 R CB -0.235 30.084 30.300 0.033 0.000 0.889 575 R HN 0.559 nan 8.270 nan 0.000 0.452 576 E N 0.591 120.803 120.200 0.021 0.000 2.196 576 E HA -0.247 4.102 4.350 -0.001 0.000 0.222 576 E C 0.315 176.944 176.600 0.048 0.000 1.072 576 E CA 1.434 57.864 56.400 0.050 0.000 0.902 576 E CB -0.095 29.659 29.700 0.090 0.000 0.780 576 E HN 0.154 nan 8.360 nan 0.000 0.467 577 D N -1.846 118.613 120.400 0.098 0.000 2.584 577 D HA 0.139 4.778 4.640 -0.001 0.000 0.238 577 D C -2.310 174.013 176.300 0.038 0.000 1.302 577 D CA -1.718 52.320 54.000 0.064 0.000 0.884 577 D CB 1.002 41.834 40.800 0.053 0.000 1.456 577 D HN -0.254 nan 8.370 nan 0.000 0.528 578 P HA -0.133 nan 4.420 nan 0.000 0.215 578 P C 1.246 178.537 177.300 -0.014 0.000 1.153 578 P CA 0.959 63.767 63.100 -0.486 0.000 0.853 578 P CB 0.486 31.915 31.700 -0.453 0.000 0.788 579 E N -1.419 118.800 120.200 0.031 0.000 2.077 579 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 579 E C 1.838 178.490 176.600 0.087 0.000 0.989 579 E CA 0.735 57.179 56.400 0.074 0.000 0.800 579 E CB -0.581 29.149 29.700 0.049 0.000 0.746 579 E HN 0.099 nan 8.360 nan 0.000 0.452 580 F N -0.125 119.778 119.950 -0.078 0.000 2.134 580 F HA -0.188 4.338 4.527 -0.001 0.000 0.299 580 F C 1.275 176.966 175.800 -0.183 0.000 1.097 580 F CA 1.373 59.253 58.000 -0.201 0.000 1.264 580 F CB -0.014 38.756 39.000 -0.383 0.000 1.001 580 F HN 0.078 nan 8.300 nan 0.000 0.479 581 Y N -0.241 120.281 120.300 0.370 0.000 2.457 581 Y HA 0.116 4.665 4.550 -0.001 0.000 0.263 581 Y C 1.925 178.041 175.900 0.359 0.000 1.164 581 Y CA 0.217 58.553 58.100 0.393 0.000 1.274 581 Y CB -0.626 38.148 38.460 0.523 0.000 1.097 581 Y HN 0.061 nan 8.280 nan 0.000 0.523 582 E N 1.180 121.632 120.200 0.419 0.000 2.086 582 E HA -0.216 4.134 4.350 -0.001 0.000 0.200 582 E C 1.183 177.899 176.600 0.194 0.000 1.012 582 E CA 2.003 58.620 56.400 0.361 0.000 0.812 582 E CB -0.123 29.719 29.700 0.237 0.000 0.743 582 E HN 0.337 nan 8.360 nan 0.000 0.453 583 N N -0.831 117.948 118.700 0.131 0.000 2.205 583 N HA 0.065 4.804 4.740 -0.001 0.000 0.201 583 N C 0.061 175.620 175.510 0.082 0.000 1.128 583 N CA -0.117 52.980 53.050 0.077 0.000 0.867 583 N CB 0.257 38.767 38.487 0.038 0.000 0.996 583 N HN 0.245 nan 8.380 nan 0.000 0.503 584 M N 1.479 121.163 119.600 0.140 0.000 2.238 584 M HA 0.116 4.596 4.480 -0.001 0.000 0.347 584 M C -0.103 176.278 176.300 0.135 0.000 1.173 584 M CA 0.199 55.592 55.300 0.154 0.000 1.147 584 M CB 0.844 33.611 32.600 0.277 0.000 1.547 584 M HN -0.139 nan 8.290 nan 0.000 0.455 585 R N 2.696 123.245 120.500 0.082 0.000 2.720 585 R HA 0.313 4.652 4.340 -0.001 0.000 0.272 585 R C 0.819 177.136 176.300 0.028 0.000 0.991 585 R CA -0.848 55.272 56.100 0.033 0.000 1.010 585 R CB 1.019 31.308 30.300 -0.019 0.000 1.141 585 R HN 0.762 nan 8.270 nan 0.000 0.494 586 I N 1.759 122.318 120.570 -0.018 0.000 2.208 586 I HA -0.303 3.867 4.170 -0.001 0.000 0.245 586 I C 1.917 177.991 176.117 -0.072 0.000 1.097 586 I CA 1.894 63.190 61.300 -0.007 0.000 1.363 586 I CB -0.017 37.972 38.000 -0.018 0.000 1.051 586 I HN 0.594 nan 8.210 nan 0.000 0.413 587 Q N -0.419 119.201 119.800 -0.300 0.000 2.167 587 Q HA -0.253 4.087 4.340 -0.001 0.000 0.202 587 Q C 2.173 178.157 176.000 -0.027 0.000 0.970 587 Q CA 1.672 57.297 55.803 -0.297 0.000 0.855 587 Q CB -0.241 28.260 28.738 -0.396 0.000 0.911 587 Q HN 0.638 nan 8.270 nan 0.000 0.438 588 E N 0.585 120.776 120.200 -0.015 0.000 2.072 588 E HA -0.198 4.152 4.350 -0.001 0.000 0.191 588 E C 1.946 178.570 176.600 0.041 0.000 0.985 588 E CA 0.510 56.929 56.400 0.032 0.000 0.801 588 E CB 0.061 29.788 29.700 0.043 0.000 0.750 588 E HN 0.199 nan 8.360 nan 0.000 0.452 589 L N 1.230 122.482 121.223 0.049 0.000 1.989 589 L HA -0.150 4.189 4.340 -0.001 0.000 0.211 589 L C 2.362 179.164 176.870 -0.113 0.000 1.071 589 L CA 2.432 57.253 54.840 -0.032 0.000 0.749 589 L CB -0.945 41.150 42.059 0.060 0.000 0.890 589 L HN 0.176 nan 8.230 nan 0.000 0.431 590 A N -1.147 121.695 122.820 0.036 0.000 1.892 590 A HA -0.305 4.014 4.320 -0.001 0.000 0.218 590 A C 2.172 179.766 177.584 0.017 0.000 1.188 590 A CA 2.116 54.184 52.037 0.053 0.000 0.631 590 A CB -0.703 18.455 19.000 0.263 0.000 0.822 590 A HN 0.703 nan 8.150 nan 0.000 0.447 591 Q N -0.598 119.238 119.800 0.059 0.000 2.050 591 Q HA -0.183 4.157 4.340 -0.001 0.000 0.202 591 Q C 1.943 177.978 176.000 0.058 0.000 0.980 591 Q CA 1.529 57.382 55.803 0.084 0.000 0.840 591 Q CB -0.270 28.524 28.738 0.094 0.000 0.898 591 Q HN 0.643 nan 8.270 nan 0.000 0.424 592 N N 0.593 119.290 118.700 -0.004 0.000 2.166 592 N HA -0.092 4.647 4.740 -0.001 0.000 0.186 592 N C 1.728 177.187 175.510 -0.086 0.000 1.019 592 N CA 1.050 54.094 53.050 -0.010 0.000 0.856 592 N CB -0.119 38.401 38.487 0.054 0.000 0.993 592 N HN 0.253 nan 8.380 nan 0.000 0.426 593 I N 0.126 120.559 120.570 -0.228 0.000 2.286 593 I HA -0.221 3.949 4.170 -0.001 0.000 0.245 593 I C 2.373 178.461 176.117 -0.048 0.000 1.104 593 I CA 0.854 62.013 61.300 -0.234 0.000 1.397 593 I CB -0.362 37.379 38.000 -0.432 0.000 1.072 593 I HN 0.302 nan 8.210 nan 0.000 0.417 594 H N 1.909 120.933 119.070 -0.076 0.000 2.319 594 H HA -0.175 4.381 4.556 -0.001 0.000 0.299 594 H C 1.998 177.355 175.328 0.048 0.000 1.092 594 H CA 1.454 57.511 56.048 0.016 0.000 1.302 594 H CB 0.298 30.060 29.762 -0.001 0.000 1.373 594 H HN 0.052 nan 8.280 nan 0.000 0.497 595 K N 0.913 121.303 120.400 -0.016 0.000 2.103 595 K HA -0.101 4.218 4.320 -0.001 0.000 0.207 595 K C 2.608 179.206 176.600 -0.005 0.000 1.048 595 K CA 0.583 56.845 56.287 -0.041 0.000 0.930 595 K CB -0.667 31.843 32.500 0.016 0.000 0.716 595 K HN 0.373 nan 8.250 nan 0.000 0.444 596 L N 0.251 121.489 121.223 0.024 0.000 1.994 596 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 596 L C 2.388 179.378 176.870 0.200 0.000 1.071 596 L CA 1.094 56.013 54.840 0.131 0.000 0.745 596 L CB -0.416 41.673 42.059 0.051 0.000 0.892 596 L HN 0.085 nan 8.230 nan 0.000 0.431 597 I N -0.864 119.749 120.570 0.071 0.000 2.194 597 I HA -0.316 3.853 4.170 -0.001 0.000 0.246 597 I C 2.434 178.582 176.117 0.052 0.000 1.093 597 I CA 1.280 62.623 61.300 0.071 0.000 1.355 597 I CB -0.323 37.715 38.000 0.062 0.000 1.046 597 I HN 0.049 nan 8.210 nan 0.000 0.413 598 V N 0.303 120.180 119.914 -0.061 0.000 2.307 598 V HA -0.327 3.793 4.120 -0.001 0.000 0.245 598 V C 2.504 178.599 176.094 0.003 0.000 1.045 598 V CA 2.406 64.658 62.300 -0.080 0.000 1.024 598 V CB -0.921 30.786 31.823 -0.192 0.000 0.651 598 V HN 0.498 nan 8.190 nan 0.000 0.449 599 H N -0.165 118.866 119.070 -0.065 0.000 2.352 599 H HA -0.177 4.379 4.556 -0.001 0.000 0.299 599 H C 2.210 177.451 175.328 -0.146 0.000 1.097 599 H CA 2.107 58.085 56.048 -0.117 0.000 1.311 599 H CB -0.210 29.452 29.762 -0.168 0.000 1.377 599 H HN 0.518 nan 8.280 nan 0.000 0.504 600 H N -0.509 118.496 119.070 -0.107 0.000 2.555 600 H HA 0.008 4.563 4.556 -0.001 0.000 0.269 600 H C 0.728 176.016 175.328 -0.066 0.000 0.988 600 H CA 0.791 56.761 56.048 -0.130 0.000 1.178 600 H CB 0.040 29.797 29.762 -0.009 0.000 1.373 600 H HN 0.406 nan 8.280 nan 0.000 0.588 601 N N 0.258 118.983 118.700 0.041 0.000 2.747 601 N HA -0.197 4.542 4.740 -0.001 0.000 0.249 601 N C 1.149 176.719 175.510 0.100 0.000 1.107 601 N CA 0.515 53.588 53.050 0.038 0.000 0.707 601 N CB -1.651 36.839 38.487 0.004 0.000 1.054 601 N HN 0.428 nan 8.380 nan 0.000 0.555 602 L N 0.213 121.520 121.223 0.140 0.000 1.989 602 L HA -0.047 4.293 4.340 -0.001 0.000 0.211 602 L C -0.855 176.126 176.870 0.184 0.000 1.071 602 L CA 1.843 56.802 54.840 0.199 0.000 0.749 602 L CB -0.709 41.461 42.059 0.184 0.000 0.890 602 L HN 0.165 nan 8.230 nan 0.000 0.431 603 P HA -0.171 nan 4.420 nan 0.000 0.215 603 P C 0.879 178.219 177.300 0.066 0.000 1.153 603 P CA 1.806 64.960 63.100 0.089 0.000 0.853 603 P CB -0.049 31.679 31.700 0.046 0.000 0.788 604 D N -0.850 119.580 120.400 0.050 0.000 2.117 604 D HA -0.120 4.520 4.640 -0.001 0.000 0.198 604 D C 1.855 178.210 176.300 0.092 0.000 0.982 604 D CA 0.951 54.980 54.000 0.048 0.000 0.828 604 D CB -0.661 40.147 40.800 0.013 0.000 0.967 604 D HN 0.006 nan 8.370 nan 0.000 0.464 605 L N -0.089 121.197 121.223 0.105 0.000 2.083 605 L HA -0.105 4.235 4.340 -0.001 0.000 0.209 605 L C 2.605 179.456 176.870 -0.033 0.000 1.083 605 L CA 0.930 55.846 54.840 0.127 0.000 0.752 605 L CB -0.397 41.816 42.059 0.256 0.000 0.899 605 L HN 0.251 nan 8.230 nan 0.000 0.433 606 M N -1.393 118.118 119.600 -0.148 0.000 2.132 606 M HA -0.263 4.217 4.480 -0.001 0.000 0.263 606 M C 2.388 178.547 176.300 -0.236 0.000 1.065 606 M CA 1.720 56.623 55.300 -0.661 0.000 1.122 606 M CB -0.209 32.181 32.600 -0.350 0.000 1.365 606 M HN 0.168 nan 8.290 nan 0.000 0.411 607 Y N 0.967 121.182 120.300 -0.142 0.000 2.128 607 Y HA -0.239 4.311 4.550 -0.001 0.000 0.284 607 Y C 2.245 178.129 175.900 -0.027 0.000 1.154 607 Y CA 1.995 60.059 58.100 -0.060 0.000 1.149 607 Y CB -0.141 38.294 38.460 -0.043 0.000 0.976 607 Y HN 0.177 nan 8.280 nan 0.000 0.505 608 R N -0.222 120.331 120.500 0.090 0.000 2.090 608 R HA -0.069 4.270 4.340 -0.001 0.000 0.228 608 R C 2.499 178.743 176.300 -0.093 0.000 1.110 608 R CA 0.827 56.943 56.100 0.027 0.000 0.973 608 R CB -0.608 29.743 30.300 0.084 0.000 0.869 608 R HN 0.432 nan 8.270 nan 0.000 0.440 609 A N 0.622 123.349 122.820 -0.156 0.000 1.948 609 A HA -0.170 4.150 4.320 -0.001 0.000 0.220 609 A C 1.554 178.873 177.584 -0.443 0.000 1.177 609 A CA 1.427 53.291 52.037 -0.289 0.000 0.636 609 A CB -0.433 18.303 19.000 -0.440 0.000 0.815 609 A HN 0.265 nan 8.150 nan 0.000 0.449 610 F N -1.010 118.770 119.950 -0.283 0.000 2.695 610 F HA 0.180 4.707 4.527 -0.001 0.000 0.303 610 F C 1.986 177.634 175.800 -0.254 0.000 1.091 610 F CA 0.232 58.077 58.000 -0.257 0.000 1.300 610 F CB 0.502 39.332 39.000 -0.283 0.000 1.071 610 F HN 0.124 nan 8.300 nan 0.000 0.578 611 E N 0.202 120.308 120.200 -0.157 0.000 2.276 611 E HA 0.060 4.410 4.350 -0.001 0.000 0.193 611 E C 0.818 177.361 176.600 -0.095 0.000 0.983 611 E CA 0.506 56.808 56.400 -0.163 0.000 0.861 611 E CB 0.039 29.602 29.700 -0.228 0.000 0.817 611 E HN 0.147 nan 8.360 nan 0.000 0.485 612 V N 0.042 119.895 119.914 -0.101 0.000 2.997 612 V HA 0.417 4.536 4.120 -0.001 0.000 0.311 612 V C 0.386 176.414 176.094 -0.109 0.000 1.066 612 V CA -0.806 61.444 62.300 -0.083 0.000 1.039 612 V CB 1.511 33.289 31.823 -0.075 0.000 1.081 612 V HN -0.077 nan 8.190 nan 0.000 0.467 613 L N 2.447 123.617 121.223 -0.088 0.000 2.341 613 L HA 0.552 4.892 4.340 -0.001 0.000 0.278 613 L C -2.322 174.493 176.870 -0.092 0.000 1.005 613 L CA -1.793 52.983 54.840 -0.108 0.000 0.818 613 L CB 2.437 44.446 42.059 -0.083 0.000 1.259 613 L HN 0.519 nan 8.230 nan 0.000 0.418 614 P HA 0.030 nan 4.420 nan 0.000 0.269 614 P C -0.611 176.662 177.300 -0.046 0.000 1.217 614 P CA -0.135 62.919 63.100 -0.076 0.000 0.783 614 P CB 0.361 32.009 31.700 -0.087 0.000 0.898 615 T N 2.453 116.993 114.554 -0.023 0.000 2.794 615 T HA 0.234 4.583 4.350 -0.001 0.000 0.296 615 T C 0.442 175.148 174.700 0.011 0.000 0.949 615 T CA -0.211 61.887 62.100 -0.003 0.000 1.101 615 T CB -0.033 68.835 68.868 -0.000 0.000 0.905 615 T HN 0.358 nan 8.240 nan 0.000 0.516 616 M N 5.350 124.968 119.600 0.030 0.000 2.341 616 M HA 0.135 4.614 4.480 -0.001 0.000 0.336 616 M C 0.586 176.908 176.300 0.038 0.000 1.489 616 M CA -0.163 55.167 55.300 0.050 0.000 1.278 616 M CB -0.006 32.646 32.600 0.086 0.000 1.657 616 M HN 0.480 nan 8.290 nan 0.000 0.455 617 V N 5.864 125.799 119.914 0.034 0.000 2.407 617 V HA -0.066 4.054 4.120 -0.001 0.000 0.245 617 V C 0.958 177.074 176.094 0.035 0.000 1.041 617 V CA 1.476 63.793 62.300 0.029 0.000 1.040 617 V CB -0.434 31.404 31.823 0.024 0.000 0.671 617 V HN 0.921 nan 8.190 nan 0.000 0.455 618 M N -1.404 118.224 119.600 0.047 0.000 2.664 618 M HA 0.572 5.052 4.480 -0.001 0.000 0.279 618 M C -0.213 176.134 176.300 0.078 0.000 1.275 618 M CA -0.661 54.674 55.300 0.058 0.000 0.829 618 M CB 1.913 34.547 32.600 0.058 0.000 1.727 618 M HN 0.033 nan 8.290 nan 0.000 0.459 619 T N -2.113 112.497 114.554 0.094 0.000 2.813 619 T HA 0.351 4.701 4.350 -0.001 0.000 0.297 619 T C -2.201 172.586 174.700 0.145 0.000 1.036 619 T CA -1.038 61.130 62.100 0.113 0.000 1.044 619 T CB 0.197 69.135 68.868 0.117 0.000 0.993 619 T HN 0.549 nan 8.240 nan 0.000 0.535 620 P HA -0.086 nan 4.420 nan 0.000 0.216 620 P C 1.168 178.597 177.300 0.215 0.000 1.150 620 P CA 0.921 64.118 63.100 0.162 0.000 0.837 620 P CB -0.205 31.580 31.700 0.142 0.000 0.786 621 Y N 0.782 121.144 120.300 0.103 0.000 2.128 621 Y HA -0.229 4.321 4.550 -0.001 0.000 0.284 621 Y C 2.378 178.366 175.900 0.147 0.000 1.154 621 Y CA 1.997 60.177 58.100 0.133 0.000 1.149 621 Y CB -0.873 37.637 38.460 0.084 0.000 0.976 621 Y HN -0.111 nan 8.280 nan 0.000 0.505 622 A N 0.410 123.354 122.820 0.207 0.000 1.933 622 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 622 A C 2.360 179.967 177.584 0.039 0.000 1.175 622 A CA 1.734 53.823 52.037 0.086 0.000 0.628 622 A CB -1.428 17.647 19.000 0.126 0.000 0.814 622 A HN 0.630 nan 8.150 nan 0.000 0.444 623 A N -1.364 121.510 122.820 0.090 0.000 1.898 623 A HA -0.029 4.290 4.320 -0.001 0.000 0.216 623 A C 2.090 179.742 177.584 0.113 0.000 1.181 623 A CA 1.393 53.485 52.037 0.093 0.000 0.620 623 A CB -0.689 18.380 19.000 0.114 0.000 0.819 623 A HN 0.628 nan 8.150 nan 0.000 0.442 624 F N 0.294 120.221 119.950 -0.038 0.000 2.186 624 F HA -0.206 4.321 4.527 -0.001 0.000 0.299 624 F C 2.595 178.334 175.800 -0.101 0.000 1.090 624 F CA 1.540 59.505 58.000 -0.058 0.000 1.307 624 F CB 0.054 39.020 39.000 -0.058 0.000 1.019 624 F HN 0.182 nan 8.300 nan 0.000 0.489 625 Q N 0.797 120.475 119.800 -0.204 0.000 2.096 625 Q HA -0.204 4.136 4.340 -0.001 0.000 0.204 625 Q C 2.145 178.105 176.000 -0.066 0.000 0.982 625 Q CA 1.318 56.981 55.803 -0.234 0.000 0.850 625 Q CB -0.485 28.127 28.738 -0.209 0.000 0.901 625 Q HN 0.394 nan 8.270 nan 0.000 0.422 626 K N 0.781 121.157 120.400 -0.040 0.000 2.057 626 K HA -0.172 4.148 4.320 -0.001 0.000 0.207 626 K C 1.977 178.554 176.600 -0.038 0.000 1.049 626 K CA 1.094 57.380 56.287 -0.002 0.000 0.931 626 K CB -0.222 32.274 32.500 -0.006 0.000 0.714 626 K HN 0.402 nan 8.250 nan 0.000 0.440 627 E N 1.140 121.275 120.200 -0.107 0.000 2.077 627 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 627 E C 2.049 178.491 176.600 -0.264 0.000 0.989 627 E CA 0.740 57.055 56.400 -0.143 0.000 0.800 627 E CB -0.045 29.601 29.700 -0.089 0.000 0.746 627 E HN 0.181 nan 8.360 nan 0.000 0.452 628 L N -0.051 120.887 121.223 -0.474 0.000 2.265 628 L HA -0.160 4.179 4.340 -0.001 0.000 0.215 628 L C 1.489 178.116 176.870 -0.405 0.000 1.117 628 L CA 1.062 55.596 54.840 -0.511 0.000 0.782 628 L CB -0.295 41.368 42.059 -0.660 0.000 0.914 628 L HN 0.263 nan 8.230 nan 0.000 0.441 629 H N -0.792 118.161 119.070 -0.195 0.000 2.526 629 H HA 0.173 4.728 4.556 -0.001 0.000 0.274 629 H C 1.411 176.679 175.328 -0.101 0.000 0.999 629 H CA 0.521 56.492 56.048 -0.129 0.000 1.157 629 H CB 0.291 29.988 29.762 -0.109 0.000 1.407 629 H HN 0.315 nan 8.280 nan 0.000 0.568 630 G N 0.844 109.624 108.800 -0.034 0.000 2.147 630 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.244 630 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.244 630 G C 0.537 175.426 174.900 -0.018 0.000 1.005 630 G CA 0.277 45.357 45.100 -0.035 0.000 0.713 630 G HN 0.377 nan 8.290 nan 0.000 0.515 631 M N 1.857 121.451 119.600 -0.009 0.000 3.007 631 M HA 0.284 4.764 4.480 -0.001 0.000 0.288 631 M C 0.960 177.254 176.300 -0.010 0.000 1.246 631 M CA 0.684 55.979 55.300 -0.009 0.000 1.040 631 M CB 0.472 33.068 32.600 -0.006 0.000 1.254 631 M HN 0.434 nan 8.290 nan 0.000 0.517 632 T N -2.266 112.280 114.554 -0.014 0.000 2.932 632 T HA 0.787 5.137 4.350 -0.001 0.000 0.289 632 T C -0.546 174.142 174.700 -0.020 0.000 1.039 632 T CA -0.811 61.284 62.100 -0.008 0.000 1.024 632 T CB 2.281 71.151 68.868 0.003 0.000 1.090 632 T HN 0.441 nan 8.240 nan 0.000 0.496 633 E N 0.467 120.655 120.200 -0.020 0.000 2.449 633 E HA 0.486 4.835 4.350 -0.001 0.000 0.278 633 E C -1.416 175.160 176.600 -0.041 0.000 0.992 633 E CA -1.137 55.240 56.400 -0.038 0.000 0.807 633 E CB 1.645 31.323 29.700 -0.037 0.000 1.350 633 E HN 0.690 nan 8.360 nan 0.000 0.462 634 E N 0.802 120.957 120.200 -0.075 0.000 2.197 634 E HA 0.420 4.770 4.350 -0.001 0.000 0.281 634 E C -0.443 176.082 176.600 -0.125 0.000 0.995 634 E CA -0.882 55.464 56.400 -0.090 0.000 0.808 634 E CB 2.181 31.796 29.700 -0.142 0.000 1.093 634 E HN 0.427 nan 8.360 nan 0.000 0.394 635 V N 0.202 120.057 119.914 -0.099 0.000 3.001 635 V HA 0.453 4.572 4.120 -0.001 0.000 0.314 635 V C -0.729 175.285 176.094 -0.133 0.000 1.099 635 V CA -1.049 61.178 62.300 -0.123 0.000 0.989 635 V CB 0.785 32.600 31.823 -0.013 0.000 1.040 635 V HN 0.573 nan 8.190 nan 0.000 0.434 636 Y N 1.624 121.958 120.300 0.057 0.000 2.597 636 Y HA 0.167 4.717 4.550 -0.001 0.000 0.336 636 Y C 1.430 177.374 175.900 0.073 0.000 1.216 636 Y CA 0.572 58.715 58.100 0.072 0.000 1.463 636 Y CB 0.906 39.401 38.460 0.057 0.000 1.303 636 Y HN 0.776 nan 8.280 nan 0.000 0.576 637 L N 1.989 123.370 121.223 0.264 0.000 2.064 637 L HA -0.327 4.012 4.340 -0.001 0.000 0.216 637 L C 1.602 178.544 176.870 0.120 0.000 1.077 637 L CA 2.090 57.025 54.840 0.159 0.000 0.766 637 L CB -0.423 41.721 42.059 0.140 0.000 0.890 637 L HN 0.684 nan 8.230 nan 0.000 0.435 638 D N -0.297 120.187 120.400 0.139 0.000 2.263 638 D HA -0.168 4.472 4.640 -0.001 0.000 0.208 638 D C 1.438 177.788 176.300 0.085 0.000 0.971 638 D CA 1.296 55.350 54.000 0.090 0.000 0.867 638 D CB -0.051 40.791 40.800 0.070 0.000 0.929 638 D HN 0.626 nan 8.370 nan 0.000 0.492 639 E N -0.167 120.100 120.200 0.112 0.000 2.451 639 E HA 0.098 4.448 4.350 -0.001 0.000 0.194 639 E C 1.741 178.379 176.600 0.063 0.000 1.027 639 E CA -0.212 56.240 56.400 0.087 0.000 0.914 639 E CB 0.136 29.901 29.700 0.109 0.000 1.054 639 E HN 0.347 nan 8.360 nan 0.000 0.461 640 M N -1.240 118.395 119.600 0.058 0.000 2.558 640 M HA 0.141 4.621 4.480 -0.001 0.000 0.255 640 M C 0.246 176.563 176.300 0.028 0.000 1.113 640 M CA 0.303 55.629 55.300 0.043 0.000 1.097 640 M CB 0.249 32.875 32.600 0.043 0.000 1.426 640 M HN -0.260 nan 8.290 nan 0.000 0.488 641 V N 3.159 123.089 119.914 0.025 0.000 2.599 641 V HA 0.241 4.361 4.120 -0.001 0.000 0.300 641 V C 1.478 177.582 176.094 0.016 0.000 1.034 641 V CA 1.310 63.620 62.300 0.016 0.000 1.115 641 V CB 0.035 31.867 31.823 0.015 0.000 0.934 641 V HN 0.853 nan 8.190 nan 0.000 0.485 642 G N 3.925 112.732 108.800 0.012 0.000 2.162 642 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.260 642 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.260 642 G C 0.220 175.128 174.900 0.013 0.000 0.976 642 G CA -0.068 45.039 45.100 0.012 0.000 0.655 642 G HN 0.549 nan 8.290 nan 0.000 0.533 643 R N -0.262 120.248 120.500 0.016 0.000 2.604 643 R HA 0.647 4.986 4.340 -0.001 0.000 0.287 643 R C 0.446 176.757 176.300 0.019 0.000 0.970 643 R CA -1.207 54.904 56.100 0.018 0.000 0.946 643 R CB 0.893 31.207 30.300 0.022 0.000 1.127 643 R HN 0.270 nan 8.270 nan 0.000 0.473 644 I N 2.387 122.969 120.570 0.021 0.000 2.337 644 I HA 0.116 4.286 4.170 -0.001 0.000 0.291 644 I C 0.616 176.753 176.117 0.033 0.000 1.046 644 I CA -0.306 61.010 61.300 0.025 0.000 1.324 644 I CB 0.429 38.444 38.000 0.026 0.000 1.409 644 I HN 0.162 nan 8.210 nan 0.000 0.494 645 N N 4.653 123.373 118.700 0.035 0.000 2.483 645 N HA 0.089 4.829 4.740 -0.001 0.000 0.264 645 N C 0.707 176.254 175.510 0.062 0.000 1.197 645 N CA 0.029 53.106 53.050 0.045 0.000 0.927 645 N CB 1.851 40.359 38.487 0.034 0.000 1.065 645 N HN 0.769 nan 8.380 nan 0.000 0.461 646 A N 3.394 126.260 122.820 0.077 0.000 1.943 646 A HA 0.035 4.355 4.320 -0.001 0.000 0.213 646 A C 0.672 178.329 177.584 0.122 0.000 1.181 646 A CA 0.850 52.947 52.037 0.100 0.000 0.653 646 A CB 0.161 19.220 19.000 0.097 0.000 0.833 646 A HN 0.577 nan 8.150 nan 0.000 0.451 647 N N -0.895 117.872 118.700 0.112 0.000 2.404 647 N HA 0.387 5.127 4.740 -0.001 0.000 0.297 647 N C -0.622 174.930 175.510 0.071 0.000 1.163 647 N CA -0.516 52.600 53.050 0.110 0.000 0.864 647 N CB 1.089 39.653 38.487 0.128 0.000 1.247 647 N HN 0.371 nan 8.380 nan 0.000 0.510 648 M N 1.464 121.098 119.600 0.057 0.000 2.239 648 M HA 0.209 4.688 4.480 -0.001 0.000 0.348 648 M C -0.703 175.615 176.300 0.030 0.000 1.239 648 M CA 0.307 55.623 55.300 0.026 0.000 1.114 648 M CB 0.192 32.792 32.600 0.001 0.000 1.641 648 M HN 0.394 nan 8.290 nan 0.000 0.453 649 I N 6.126 126.700 120.570 0.007 0.000 2.339 649 I HA 0.255 4.425 4.170 -0.001 0.000 0.290 649 I C -1.088 175.028 176.117 -0.003 0.000 0.994 649 I CA -0.675 60.629 61.300 0.006 0.000 1.191 649 I CB 1.454 39.447 38.000 -0.012 0.000 1.343 649 I HN 0.525 nan 8.210 nan 0.000 0.458 650 L N 10.555 131.778 121.223 0.001 0.000 2.401 650 L HA 0.610 4.950 4.340 -0.001 0.000 0.263 650 L C -2.628 174.144 176.870 -0.162 0.000 1.004 650 L CA -1.908 52.877 54.840 -0.092 0.000 0.881 650 L CB 1.129 43.104 42.059 -0.140 0.000 1.219 650 L HN 0.223 nan 8.230 nan 0.000 0.441 651 P HA 0.284 nan 4.420 nan 0.000 0.286 651 P C -1.672 175.479 177.300 -0.247 0.000 1.261 651 P CA -0.244 62.827 63.100 -0.048 0.000 0.821 651 P CB 0.924 32.695 31.700 0.117 0.000 1.013 652 Y N 2.327 122.630 120.300 0.005 0.000 2.328 652 Y HA 0.353 4.903 4.550 -0.001 0.000 0.333 652 Y C -1.557 174.359 175.900 0.025 0.000 0.958 652 Y CA -2.030 56.071 58.100 0.003 0.000 1.167 652 Y CB 1.394 39.834 38.460 -0.034 0.000 1.151 652 Y HN 0.309 nan 8.280 nan 0.000 0.470 653 P HA 0.225 nan 4.420 nan 0.000 0.276 653 P C -2.495 174.920 177.300 0.192 0.000 1.261 653 P CA -1.894 61.281 63.100 0.125 0.000 0.800 653 P CB 1.631 33.398 31.700 0.113 0.000 1.066 654 P HA 0.121 nan 4.420 nan 0.000 0.263 654 P C 0.701 177.837 177.300 -0.273 0.000 1.448 654 P CA 0.297 63.285 63.100 -0.187 0.000 0.983 654 P CB -0.231 31.245 31.700 -0.373 0.000 1.481 655 G N 0.049 108.582 108.800 -0.446 0.000 2.160 655 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.244 655 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.244 655 G C -0.028 174.652 174.900 -0.368 0.000 1.022 655 G CA 0.145 44.804 45.100 -0.735 0.000 0.741 655 G HN 0.548 nan 8.290 nan 0.000 0.508 656 V N -4.044 115.706 119.914 -0.272 0.000 3.040 656 V HA 0.917 5.037 4.120 -0.001 0.000 0.312 656 V C -2.502 173.610 176.094 0.029 0.000 1.115 656 V CA -3.115 59.119 62.300 -0.109 0.000 0.998 656 V CB 2.142 33.893 31.823 -0.119 0.000 1.042 656 V HN 0.006 nan 8.190 nan 0.000 0.433 657 P HA 0.155 nan 4.420 nan 0.000 0.264 657 P C 0.027 177.407 177.300 0.133 0.000 1.193 657 P CA 0.179 63.306 63.100 0.045 0.000 0.763 657 P CB 0.816 32.511 31.700 -0.009 0.000 0.810 658 L N 5.113 126.352 121.223 0.028 0.000 2.433 658 L HA 0.228 4.568 4.340 -0.001 0.000 0.200 658 L C -0.019 176.734 176.870 -0.195 0.000 1.059 658 L CA 1.441 56.173 54.840 -0.179 0.000 0.835 658 L CB 0.408 42.332 42.059 -0.224 0.000 1.076 658 L HN 0.070 nan 8.230 nan 0.000 0.481 659 V N 1.438 121.282 119.914 -0.117 0.000 2.638 659 V HA 0.448 4.567 4.120 -0.001 0.000 0.306 659 V C -0.157 175.896 176.094 -0.067 0.000 1.052 659 V CA -0.782 61.457 62.300 -0.101 0.000 0.885 659 V CB 1.826 33.608 31.823 -0.067 0.000 0.999 659 V HN 0.037 nan 8.190 nan 0.000 0.424 660 M N 4.125 123.683 119.600 -0.069 0.000 2.444 660 M HA 0.505 4.984 4.480 -0.001 0.000 0.319 660 M C -2.623 173.693 176.300 0.026 0.000 1.183 660 M CA -2.732 52.559 55.300 -0.016 0.000 1.032 660 M CB 0.833 33.434 32.600 0.002 0.000 1.569 660 M HN 0.250 nan 8.290 nan 0.000 0.468 661 P HA 0.151 nan 4.420 nan 0.000 0.264 661 P C 0.747 178.097 177.300 0.084 0.000 1.183 661 P CA 1.067 64.215 63.100 0.080 0.000 0.763 661 P CB 0.383 32.147 31.700 0.107 0.000 0.807 662 G N 1.589 110.433 108.800 0.074 0.000 2.195 662 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.246 662 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.246 662 G C 0.015 174.945 174.900 0.051 0.000 0.984 662 G CA -0.284 44.858 45.100 0.069 0.000 0.633 662 G HN 0.543 nan 8.290 nan 0.000 0.525 663 E N -0.074 120.148 120.200 0.037 0.000 2.283 663 E HA 0.697 5.046 4.350 -0.001 0.000 0.267 663 E C 0.092 176.696 176.600 0.007 0.000 1.045 663 E CA -0.547 55.862 56.400 0.015 0.000 0.884 663 E CB 1.438 31.130 29.700 -0.014 0.000 1.106 663 E HN 0.326 nan 8.360 nan 0.000 0.408 664 M N 2.863 122.462 119.600 -0.001 0.000 2.327 664 M HA 0.388 4.868 4.480 -0.001 0.000 0.298 664 M C -1.610 174.683 176.300 -0.013 0.000 1.065 664 M CA -0.582 54.717 55.300 -0.001 0.000 0.916 664 M CB 1.143 33.747 32.600 0.006 0.000 1.630 664 M HN 0.500 nan 8.290 nan 0.000 0.442 665 I N 4.438 125.000 120.570 -0.014 0.000 2.471 665 I HA 0.204 4.373 4.170 -0.001 0.000 0.286 665 I C 0.761 176.872 176.117 -0.010 0.000 1.079 665 I CA 0.023 61.311 61.300 -0.020 0.000 1.398 665 I CB 1.155 39.143 38.000 -0.020 0.000 1.403 665 I HN 0.755 nan 8.210 nan 0.000 0.530 666 T N 1.215 115.761 114.554 -0.012 0.000 2.844 666 T HA 0.324 4.673 4.350 -0.001 0.000 0.274 666 T C 0.916 175.613 174.700 -0.005 0.000 0.991 666 T CA -0.697 61.400 62.100 -0.006 0.000 0.983 666 T CB 1.516 70.381 68.868 -0.005 0.000 1.310 666 T HN 0.434 nan 8.240 nan 0.000 0.596 667 E N 0.340 120.539 120.200 -0.001 0.000 2.077 667 E HA -0.140 4.209 4.350 -0.001 0.000 0.193 667 E C 1.899 178.497 176.600 -0.003 0.000 0.989 667 E CA 1.193 57.593 56.400 0.000 0.000 0.800 667 E CB -0.377 29.325 29.700 0.003 0.000 0.746 667 E HN 0.849 nan 8.360 nan 0.000 0.452 668 E N 0.708 120.905 120.200 -0.005 0.000 2.171 668 E HA -0.148 4.201 4.350 -0.001 0.000 0.197 668 E C 0.941 177.531 176.600 -0.017 0.000 0.997 668 E CA 1.491 57.886 56.400 -0.008 0.000 0.810 668 E CB 0.143 29.838 29.700 -0.008 0.000 0.738 668 E HN 0.158 nan 8.360 nan 0.000 0.467 669 S N -0.764 114.922 115.700 -0.023 0.000 2.663 669 S HA 0.221 4.690 4.470 -0.001 0.000 0.243 669 S C 1.226 175.805 174.600 -0.035 0.000 1.009 669 S CA -0.463 57.714 58.200 -0.040 0.000 0.988 669 S CB 0.480 63.647 63.200 -0.054 0.000 0.896 669 S HN 0.157 nan 8.310 nan 0.000 0.502 670 R N 2.317 122.806 120.500 -0.017 0.000 2.154 670 R HA -0.053 4.287 4.340 -0.001 0.000 0.248 670 R C -1.209 175.090 176.300 -0.002 0.000 1.155 670 R CA 1.738 57.834 56.100 -0.007 0.000 0.979 670 R CB -1.320 28.981 30.300 0.002 0.000 0.869 670 R HN 0.345 nan 8.270 nan 0.000 0.452 671 P HA -0.150 nan 4.420 nan 0.000 0.217 671 P C 1.248 178.552 177.300 0.007 0.000 1.148 671 P CA 1.061 64.164 63.100 0.005 0.000 0.828 671 P CB 0.030 31.722 31.700 -0.014 0.000 0.783 672 V N -0.367 119.518 119.914 -0.047 0.000 2.252 672 V HA -0.248 3.872 4.120 -0.001 0.000 0.249 672 V C 2.359 178.461 176.094 0.012 0.000 1.056 672 V CA 1.905 64.168 62.300 -0.063 0.000 1.022 672 V CB -1.295 30.456 31.823 -0.119 0.000 0.641 672 V HN 0.088 nan 8.190 nan 0.000 0.445 673 L N 0.203 121.426 121.223 0.001 0.000 2.056 673 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 673 L C 2.372 179.254 176.870 0.020 0.000 1.078 673 L CA 1.866 56.709 54.840 0.005 0.000 0.749 673 L CB -0.821 41.241 42.059 0.005 0.000 0.901 673 L HN 0.390 nan 8.230 nan 0.000 0.433 674 E N -1.065 119.162 120.200 0.045 0.000 2.085 674 E HA -0.288 4.061 4.350 -0.001 0.000 0.194 674 E C 2.077 178.735 176.600 0.096 0.000 0.994 674 E CA 1.739 58.175 56.400 0.061 0.000 0.801 674 E CB -0.400 29.341 29.700 0.067 0.000 0.743 674 E HN 0.595 nan 8.360 nan 0.000 0.453 675 F N 1.391 121.324 119.950 -0.029 0.000 2.075 675 F HA -0.202 4.324 4.527 -0.001 0.000 0.297 675 F C 2.001 177.778 175.800 -0.038 0.000 1.113 675 F CA 1.170 59.158 58.000 -0.021 0.000 1.218 675 F CB -0.026 38.959 39.000 -0.024 0.000 0.984 675 F HN -0.089 nan 8.300 nan 0.000 0.472 676 L N 0.198 121.284 121.223 -0.228 0.000 2.042 676 L HA -0.283 4.057 4.340 -0.001 0.000 0.210 676 L C 2.542 179.241 176.870 -0.284 0.000 1.076 676 L CA 1.681 56.324 54.840 -0.329 0.000 0.749 676 L CB -0.961 41.001 42.059 -0.162 0.000 0.893 676 L HN 0.280 nan 8.230 nan 0.000 0.432 677 Q N -0.883 118.825 119.800 -0.154 0.000 2.084 677 Q HA -0.254 4.086 4.340 -0.001 0.000 0.202 677 Q C 2.319 178.241 176.000 -0.130 0.000 0.978 677 Q CA 1.566 57.302 55.803 -0.112 0.000 0.844 677 Q CB -0.234 28.485 28.738 -0.032 0.000 0.898 677 Q HN 0.439 nan 8.270 nan 0.000 0.426 678 M N 0.780 120.309 119.600 -0.119 0.000 2.080 678 M HA -0.180 4.299 4.480 -0.001 0.000 0.260 678 M C 1.933 178.079 176.300 -0.258 0.000 1.068 678 M CA 1.618 56.849 55.300 -0.115 0.000 1.109 678 M CB -0.442 32.149 32.600 -0.015 0.000 1.342 678 M HN 0.291 nan 8.290 nan 0.000 0.405 679 L N -0.351 120.646 121.223 -0.378 0.000 2.079 679 L HA -0.310 4.030 4.340 -0.001 0.000 0.210 679 L C 2.616 179.303 176.870 -0.305 0.000 1.081 679 L CA 1.304 55.917 54.840 -0.378 0.000 0.752 679 L CB -0.850 40.899 42.059 -0.516 0.000 0.896 679 L HN 0.429 nan 8.230 nan 0.000 0.433 680 C N -0.229 118.854 119.300 -0.362 0.000 2.446 680 C HA -0.126 4.334 4.460 -0.001 0.000 0.277 680 C C 2.628 177.539 174.990 -0.132 0.000 1.275 680 C CA 0.570 59.354 59.018 -0.391 0.000 1.727 680 C CB -0.677 26.759 27.740 -0.506 0.000 2.010 680 C HN 0.519 nan 8.230 nan 0.000 0.486 681 E N 0.568 120.706 120.200 -0.104 0.000 2.015 681 E HA -0.181 4.168 4.350 -0.001 0.000 0.191 681 E C 2.041 178.648 176.600 0.011 0.000 0.991 681 E CA 1.080 57.477 56.400 -0.006 0.000 0.802 681 E CB -0.295 29.446 29.700 0.068 0.000 0.759 681 E HN 0.607 nan 8.360 nan 0.000 0.447 682 I N 0.942 121.373 120.570 -0.231 0.000 2.315 682 I HA -0.213 3.956 4.170 -0.001 0.000 0.251 682 I C 2.035 178.229 176.117 0.129 0.000 1.125 682 I CA 1.391 62.590 61.300 -0.169 0.000 1.392 682 I CB -0.080 37.702 38.000 -0.364 0.000 1.065 682 I HN 0.129 nan 8.210 nan 0.000 0.424 683 G N -0.644 108.196 108.800 0.066 0.000 2.813 683 G HA2 0.022 3.982 3.960 -0.001 0.000 0.209 683 G HA3 0.022 3.982 3.960 -0.001 0.000 0.209 683 G C 1.482 176.468 174.900 0.143 0.000 1.150 683 G CA 0.472 45.645 45.100 0.121 0.000 0.785 683 G HN 0.513 nan 8.290 nan 0.000 0.535 684 A N -0.027 122.853 122.820 0.100 0.000 2.169 684 A HA 0.212 4.531 4.320 -0.001 0.000 0.212 684 A C 1.810 179.320 177.584 -0.123 0.000 1.153 684 A CA 0.959 52.980 52.037 -0.026 0.000 0.756 684 A CB -0.272 18.664 19.000 -0.108 0.000 0.813 684 A HN 0.440 nan 8.150 nan 0.000 0.471 685 H N -2.479 116.607 119.070 0.027 0.000 2.370 685 H HA 0.194 4.749 4.556 -0.001 0.000 0.304 685 H C -0.426 174.701 175.328 -0.334 0.000 1.055 685 H CA 1.282 57.278 56.048 -0.088 0.000 1.373 685 H CB 0.046 29.833 29.762 0.042 0.000 1.423 685 H HN 0.487 nan 8.280 nan 0.000 0.533 686 Y N 0.557 120.933 120.300 0.126 0.000 2.328 686 Y HA 0.310 4.860 4.550 -0.001 0.000 0.333 686 Y C -2.324 173.625 175.900 0.082 0.000 0.958 686 Y CA -3.522 54.592 58.100 0.023 0.000 1.167 686 Y CB 1.222 39.776 38.460 0.157 0.000 1.151 686 Y HN -0.023 nan 8.280 nan 0.000 0.470 687 P HA 0.049 nan 4.420 nan 0.000 0.262 687 P C 0.826 178.316 177.300 0.318 0.000 1.182 687 P CA 1.591 64.701 63.100 0.016 0.000 0.761 687 P CB 0.538 32.138 31.700 -0.166 0.000 0.795 688 G N 1.914 110.792 108.800 0.131 0.000 2.195 688 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.246 688 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.246 688 G C 0.182 174.869 174.900 -0.355 0.000 0.984 688 G CA -0.406 44.632 45.100 -0.102 0.000 0.633 688 G HN 0.460 nan 8.290 nan 0.000 0.525 689 F N 1.680 121.701 119.950 0.118 0.000 2.761 689 F HA 0.506 5.033 4.527 -0.001 0.000 0.367 689 F C 0.512 176.367 175.800 0.093 0.000 1.386 689 F CA -0.804 57.259 58.000 0.106 0.000 1.177 689 F CB 0.731 39.817 39.000 0.143 0.000 1.092 689 F HN -0.017 nan 8.300 nan 0.000 0.517 690 E N 0.325 120.624 120.200 0.166 0.000 2.390 690 E HA 0.190 4.540 4.350 -0.001 0.000 0.261 690 E C 0.398 177.069 176.600 0.119 0.000 1.076 690 E CA -0.053 56.428 56.400 0.135 0.000 0.905 690 E CB 0.455 30.211 29.700 0.094 0.000 0.984 690 E HN 0.065 nan 8.360 nan 0.000 0.427 691 T N 2.137 116.760 114.554 0.116 0.000 2.923 691 T HA -0.006 4.344 4.350 -0.001 0.000 0.304 691 T C -0.182 174.578 174.700 0.100 0.000 1.044 691 T CA 0.500 62.636 62.100 0.061 0.000 1.141 691 T CB 0.056 68.922 68.868 -0.004 0.000 1.023 691 T HN 0.328 nan 8.240 nan 0.000 0.533 692 D N 2.780 123.234 120.400 0.089 0.000 2.363 692 D HA 0.339 4.978 4.640 -0.001 0.000 0.258 692 D C -0.900 175.534 176.300 0.224 0.000 1.259 692 D CA -0.449 53.650 54.000 0.166 0.000 0.921 692 D CB 0.004 40.894 40.800 0.149 0.000 1.201 692 D HN 0.411 nan 8.370 nan 0.000 0.524 693 I N 3.239 123.915 120.570 0.178 0.000 2.411 693 I HA 0.226 4.396 4.170 -0.001 0.000 0.284 693 I C 0.328 176.574 176.117 0.214 0.000 1.012 693 I CA -0.735 60.647 61.300 0.137 0.000 1.119 693 I CB 1.327 39.310 38.000 -0.029 0.000 1.261 693 I HN 0.185 nan 8.210 nan 0.000 0.448 694 H N 5.209 124.319 119.070 0.066 0.000 2.929 694 H HA 0.204 4.760 4.556 -0.001 0.000 0.317 694 H C 1.148 176.436 175.328 -0.067 0.000 1.031 694 H CA 0.556 56.611 56.048 0.012 0.000 1.466 694 H CB 0.871 30.686 29.762 0.089 0.000 1.482 694 H HN 1.016 nan 8.280 nan 0.000 0.561 695 G N 1.855 110.601 108.800 -0.090 0.000 2.176 695 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.232 695 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.232 695 G C 0.097 174.814 174.900 -0.304 0.000 0.986 695 G CA -0.130 44.876 45.100 -0.157 0.000 0.643 695 G HN 0.890 nan 8.290 nan 0.000 0.522 696 A N -0.315 122.301 122.820 -0.339 0.000 2.350 696 A HA 0.849 5.168 4.320 -0.001 0.000 0.324 696 A C -0.972 176.434 177.584 -0.298 0.000 1.118 696 A CA -0.707 51.217 52.037 -0.189 0.000 0.783 696 A CB 1.035 20.065 19.000 0.050 0.000 1.236 696 A HN 0.757 nan 8.150 nan 0.000 0.457 697 Y N 0.951 121.365 120.300 0.189 0.000 2.328 697 Y HA 0.487 5.036 4.550 -0.001 0.000 0.333 697 Y C 0.599 176.408 175.900 -0.152 0.000 0.958 697 Y CA -0.549 57.576 58.100 0.042 0.000 1.167 697 Y CB 1.449 39.910 38.460 0.001 0.000 1.151 697 Y HN 0.752 nan 8.280 nan 0.000 0.470 698 R N 3.418 123.754 120.500 -0.272 0.000 2.370 698 R HA 0.136 4.476 4.340 -0.001 0.000 0.309 698 R C -0.397 175.732 176.300 -0.285 0.000 1.059 698 R CA -0.350 55.312 56.100 -0.730 0.000 0.981 698 R CB 0.466 30.377 30.300 -0.648 0.000 0.972 698 R HN 0.653 nan 8.270 nan 0.000 0.437 699 Q N 2.149 121.814 119.800 -0.225 0.000 2.317 699 Q HA 0.164 4.503 4.340 -0.001 0.000 0.229 699 Q C 0.900 176.855 176.000 -0.075 0.000 0.984 699 Q CA 0.219 55.980 55.803 -0.070 0.000 0.911 699 Q CB 1.213 29.979 28.738 0.047 0.000 1.217 699 Q HN 0.782 nan 8.270 nan 0.000 0.501 700 A N 1.345 124.144 122.820 -0.035 0.000 1.978 700 A HA -0.187 4.133 4.320 -0.001 0.000 0.220 700 A C 1.156 178.722 177.584 -0.031 0.000 1.170 700 A CA 1.965 53.982 52.037 -0.033 0.000 0.636 700 A CB -0.365 18.623 19.000 -0.020 0.000 0.810 700 A HN 0.775 nan 8.150 nan 0.000 0.448 701 D N -1.826 118.562 120.400 -0.019 0.000 2.349 701 D HA 0.205 4.845 4.640 -0.001 0.000 0.224 701 D C 1.185 177.466 176.300 -0.031 0.000 1.029 701 D CA 1.021 55.009 54.000 -0.021 0.000 0.879 701 D CB -0.587 40.206 40.800 -0.012 0.000 0.906 701 D HN 0.795 nan 8.370 nan 0.000 0.528 702 G N 0.564 109.332 108.800 -0.054 0.000 2.176 702 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.253 702 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.253 702 G C 0.335 175.225 174.900 -0.016 0.000 0.979 702 G CA -0.001 45.064 45.100 -0.058 0.000 0.641 702 G HN 0.449 nan 8.290 nan 0.000 0.530 703 R N -0.706 119.793 120.500 -0.001 0.000 2.531 703 R HA 0.568 4.907 4.340 -0.001 0.000 0.273 703 R C -0.493 175.878 176.300 0.117 0.000 1.070 703 R CA -0.270 55.891 56.100 0.103 0.000 1.112 703 R CB 0.572 30.872 30.300 0.001 0.000 1.049 703 R HN 0.279 nan 8.270 nan 0.000 0.508 704 Y N -0.169 120.235 120.300 0.174 0.000 2.387 704 Y HA 0.257 4.806 4.550 -0.001 0.000 0.336 704 Y C 0.703 176.750 175.900 0.245 0.000 1.067 704 Y CA -0.479 57.727 58.100 0.177 0.000 1.114 704 Y CB 2.246 40.762 38.460 0.092 0.000 1.208 704 Y HN 0.584 nan 8.280 nan 0.000 0.458 705 T N -0.150 114.595 114.554 0.318 0.000 2.932 705 T HA 0.816 5.166 4.350 -0.001 0.000 0.289 705 T C -0.710 174.166 174.700 0.292 0.000 1.039 705 T CA -0.827 61.398 62.100 0.208 0.000 1.024 705 T CB 1.392 70.270 68.868 0.016 0.000 1.090 705 T HN 0.589 nan 8.240 nan 0.000 0.496 706 V N -1.420 118.615 119.914 0.202 0.000 3.040 706 V HA 0.743 4.863 4.120 -0.001 0.000 0.312 706 V C -0.616 175.580 176.094 0.169 0.000 1.115 706 V CA -1.388 61.041 62.300 0.214 0.000 0.998 706 V CB 1.783 33.679 31.823 0.122 0.000 1.042 706 V HN 1.118 nan 8.190 nan 0.000 0.433 707 K N 1.767 122.286 120.400 0.197 0.000 2.248 707 K HA 0.727 5.046 4.320 -0.001 0.000 0.281 707 K C -0.624 176.025 176.600 0.083 0.000 1.054 707 K CA -0.431 55.929 56.287 0.121 0.000 0.903 707 K CB 1.436 34.028 32.500 0.153 0.000 1.077 707 K HN 1.034 nan 8.250 nan 0.000 0.474 708 V N 1.629 121.571 119.914 0.047 0.000 3.074 708 V HA 0.527 4.647 4.120 -0.001 0.000 0.314 708 V C -0.472 175.637 176.094 0.025 0.000 1.117 708 V CA -1.309 61.014 62.300 0.038 0.000 1.014 708 V CB 1.401 33.242 31.823 0.030 0.000 1.057 708 V HN 0.608 nan 8.190 nan 0.000 0.438 709 L N 1.639 122.877 121.223 0.024 0.000 2.380 709 L HA 0.404 4.744 4.340 -0.001 0.000 0.273 709 L C 0.707 177.580 176.870 0.005 0.000 1.138 709 L CA -0.400 54.449 54.840 0.014 0.000 0.832 709 L CB 0.524 42.593 42.059 0.016 0.000 1.124 709 L HN 0.711 nan 8.230 nan 0.000 0.454 710 K N 2.250 122.649 120.400 -0.002 0.000 2.527 710 K HA 0.019 4.339 4.320 -0.001 0.000 0.278 710 K C -0.035 176.561 176.600 -0.006 0.000 0.981 710 K CA 0.185 56.468 56.287 -0.007 0.000 1.009 710 K CB 0.527 33.020 32.500 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