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_D 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 0.000 176.365 176.300 0.108 0.000 1.140 1 M CA 0.000 55.361 55.300 0.102 0.000 0.988 1 M CB 0.000 32.665 32.600 0.109 0.000 1.302 2 N N 0.890 119.657 118.700 0.112 0.000 2.193 2 N HA 0.167 4.907 4.740 -0.000 0.000 0.236 2 N C -1.471 174.205 175.510 0.276 0.000 1.347 2 N CA -0.103 53.027 53.050 0.135 0.000 0.812 2 N CB 0.695 39.109 38.487 -0.121 0.000 1.297 2 N HN 0.253 nan 8.380 nan 0.000 0.499 3 V N 2.441 122.478 119.914 0.205 0.000 2.383 3 V HA 0.445 4.565 4.120 -0.000 0.000 0.275 3 V C -0.120 176.043 176.094 0.116 0.000 1.036 3 V CA -0.511 61.873 62.300 0.139 0.000 0.889 3 V CB 1.340 33.208 31.823 0.075 0.000 0.985 3 V HN 0.126 nan 8.190 nan 0.000 0.459 4 I N 4.218 124.819 120.570 0.051 0.000 2.378 4 I HA 0.584 4.754 4.170 -0.000 0.000 0.291 4 I C 0.452 176.510 176.117 -0.098 0.000 0.992 4 I CA -0.478 60.798 61.300 -0.040 0.000 1.154 4 I CB 1.659 39.558 38.000 -0.168 0.000 1.315 4 I HN 0.646 nan 8.210 nan 0.000 0.448 5 A N 7.821 130.591 122.820 -0.084 0.000 2.301 5 A HA 0.728 5.048 4.320 -0.000 0.000 0.298 5 A C -0.245 177.243 177.584 -0.160 0.000 1.185 5 A CA -0.396 51.556 52.037 -0.142 0.000 0.830 5 A CB 0.395 19.337 19.000 -0.095 0.000 1.112 5 A HN 0.655 nan 8.150 nan 0.000 0.508 6 I N 2.963 123.337 120.570 -0.326 0.000 2.355 6 I HA 0.194 4.364 4.170 -0.000 0.000 0.288 6 I C -0.716 175.320 176.117 -0.136 0.000 0.999 6 I CA -0.611 60.545 61.300 -0.240 0.000 1.163 6 I CB 1.636 39.414 38.000 -0.371 0.000 1.316 6 I HN 0.518 nan 8.210 nan 0.000 0.454 7 L N 8.165 129.367 121.223 -0.036 0.000 2.288 7 L HA 0.511 4.851 4.340 -0.000 0.000 0.283 7 L C -0.589 176.338 176.870 0.096 0.000 1.072 7 L CA 0.256 55.063 54.840 -0.055 0.000 0.862 7 L CB -0.695 41.176 42.059 -0.313 0.000 1.245 7 L HN 0.659 nan 8.230 nan 0.000 0.432 8 N N 2.682 121.466 118.700 0.139 0.000 7.416 8 N HA -0.048 4.692 4.740 -0.000 0.000 0.085 8 N C -1.418 174.073 175.510 -0.033 0.000 0.891 8 N CA -0.676 52.458 53.050 0.139 0.000 1.286 8 N CB 0.270 38.913 38.487 0.261 0.000 1.226 8 N HN 0.584 nan 8.380 nan 0.000 1.268 9 H N 2.995 122.115 119.070 0.084 0.000 2.944 9 H HA 0.195 4.751 4.556 -0.000 0.000 0.278 9 H C 0.934 176.272 175.328 0.016 0.000 1.083 9 H CA 0.107 56.172 56.048 0.028 0.000 1.479 9 H CB 0.698 30.471 29.762 0.018 0.000 1.486 9 H HN 0.376 nan 8.280 nan 0.000 0.493 10 M N 1.812 121.448 119.600 0.059 0.000 2.514 10 M HA 0.191 4.671 4.480 -0.000 0.000 0.258 10 M C 1.688 177.979 176.300 -0.015 0.000 1.159 10 M CA 0.814 56.107 55.300 -0.012 0.000 1.116 10 M CB 0.021 32.541 32.600 -0.133 0.000 1.333 10 M HN 0.942 nan 8.290 nan 0.000 0.487 11 G N 1.623 110.432 108.800 0.015 0.000 2.179 11 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.260 11 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.260 11 G C 0.109 175.021 174.900 0.021 0.000 0.977 11 G CA 0.344 45.460 45.100 0.026 0.000 0.641 11 G HN 0.512 nan 8.290 nan 0.000 0.533 12 V N -3.434 116.458 119.914 -0.037 0.000 2.577 12 V HA 0.692 4.812 4.120 -0.000 0.000 0.303 12 V C 0.884 176.950 176.094 -0.046 0.000 1.042 12 V CA -0.641 61.657 62.300 -0.003 0.000 0.872 12 V CB 1.482 33.288 31.823 -0.028 0.000 0.998 12 V HN 0.302 nan 8.190 nan 0.000 0.423 13 Y N 4.801 125.084 120.300 -0.028 0.000 2.274 13 Y HA -0.188 4.362 4.550 -0.000 0.000 0.290 13 Y C 1.916 177.793 175.900 -0.038 0.000 1.145 13 Y CA 2.576 60.659 58.100 -0.028 0.000 1.203 13 Y CB -0.110 38.367 38.460 0.028 0.000 0.984 13 Y HN 0.806 nan 8.280 nan 0.000 0.533 14 F N -0.306 119.714 119.950 0.117 0.000 2.408 14 F HA -0.046 4.481 4.527 -0.000 0.000 0.300 14 F C 1.658 177.387 175.800 -0.118 0.000 1.090 14 F CA 1.277 59.303 58.000 0.045 0.000 1.427 14 F CB -0.467 38.564 39.000 0.052 0.000 1.070 14 F HN -0.131 nan 8.300 nan 0.000 0.549 15 K N 0.429 120.231 120.400 -0.995 0.000 2.214 15 K HA 0.043 4.363 4.320 -0.000 0.000 0.201 15 K C 1.917 178.198 176.600 -0.531 0.000 1.049 15 K CA 0.931 56.536 56.287 -1.136 0.000 0.978 15 K CB -0.086 31.506 32.500 -1.513 0.000 0.842 15 K HN 0.302 nan 8.250 nan 0.000 0.474 16 E N 1.092 121.029 120.200 -0.438 0.000 2.106 16 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 16 E C 1.843 178.228 176.600 -0.359 0.000 0.984 16 E CA 1.016 57.220 56.400 -0.328 0.000 0.806 16 E CB 0.142 29.683 29.700 -0.264 0.000 0.750 16 E HN 0.183 nan 8.360 nan 0.000 0.458 17 E N 0.806 120.683 120.200 -0.538 0.000 2.047 17 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 17 E C -0.864 175.596 176.600 -0.233 0.000 0.987 17 E CA 1.160 57.240 56.400 -0.533 0.000 0.799 17 E CB -0.763 28.376 29.700 -0.935 0.000 0.752 17 E HN 0.084 nan 8.360 nan 0.000 0.449 18 P HA -0.142 nan 4.420 nan 0.000 0.218 18 P C 0.940 178.194 177.300 -0.075 0.000 1.148 18 P CA 1.036 64.117 63.100 -0.031 0.000 0.822 18 P CB 0.048 31.809 31.700 0.102 0.000 0.784 19 I N -1.051 119.442 120.570 -0.128 0.000 2.406 19 I HA -0.089 4.081 4.170 -0.000 0.000 0.249 19 I C 2.282 178.366 176.117 -0.055 0.000 1.122 19 I CA 1.211 62.425 61.300 -0.143 0.000 1.431 19 I CB -1.119 36.784 38.000 -0.162 0.000 1.087 19 I HN -0.021 nan 8.210 nan 0.000 0.424 20 R N 0.769 121.218 120.500 -0.084 0.000 2.073 20 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 20 R C 2.144 178.442 176.300 -0.003 0.000 1.134 20 R CA 1.434 57.497 56.100 -0.062 0.000 0.952 20 R CB -0.177 30.044 30.300 -0.132 0.000 0.850 20 R HN 0.447 nan 8.270 nan 0.000 0.433 21 E N 0.433 120.616 120.200 -0.028 0.000 2.085 21 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 21 E C 1.925 178.529 176.600 0.007 0.000 0.994 21 E CA 1.032 57.430 56.400 -0.003 0.000 0.801 21 E CB -0.128 29.566 29.700 -0.010 0.000 0.743 21 E HN 0.108 nan 8.360 nan 0.000 0.453 22 L N 1.171 122.384 121.223 -0.017 0.000 2.046 22 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 22 L C 2.354 179.217 176.870 -0.012 0.000 1.077 22 L CA 1.875 56.686 54.840 -0.049 0.000 0.747 22 L CB -0.771 41.226 42.059 -0.102 0.000 0.896 22 L HN 0.249 nan 8.230 nan 0.000 0.432 23 H N 0.560 119.602 119.070 -0.046 0.000 2.267 23 H HA -0.243 4.313 4.556 -0.000 0.000 0.291 23 H C 2.290 177.625 175.328 0.011 0.000 1.094 23 H CA 2.630 58.681 56.048 0.006 0.000 1.227 23 H CB 0.064 29.875 29.762 0.081 0.000 1.351 23 H HN 0.360 nan 8.280 nan 0.000 0.483 24 R N 0.014 120.648 120.500 0.223 0.000 2.075 24 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 24 R C 2.714 179.043 176.300 0.049 0.000 1.126 24 R CA 0.930 57.122 56.100 0.154 0.000 0.963 24 R CB -0.316 30.058 30.300 0.122 0.000 0.858 24 R HN 0.350 nan 8.270 nan 0.000 0.435 25 A N 1.451 124.282 122.820 0.019 0.000 1.902 25 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 25 A C 2.201 179.786 177.584 0.001 0.000 1.181 25 A CA 1.190 53.225 52.037 -0.003 0.000 0.623 25 A CB -0.526 18.453 19.000 -0.034 0.000 0.818 25 A HN 0.164 nan 8.150 nan 0.000 0.443 26 L N -0.770 120.434 121.223 -0.032 0.000 2.056 26 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 26 L C 2.604 179.542 176.870 0.112 0.000 1.078 26 L CA 1.550 56.402 54.840 0.020 0.000 0.749 26 L CB -0.588 41.383 42.059 -0.146 0.000 0.901 26 L HN 0.461 nan 8.230 nan 0.000 0.433 27 E N -0.046 120.148 120.200 -0.009 0.000 2.118 27 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 27 E C 2.304 178.920 176.600 0.026 0.000 0.992 27 E CA 0.925 57.323 56.400 -0.003 0.000 0.804 27 E CB -0.068 29.604 29.700 -0.046 0.000 0.741 27 E HN 0.408 nan 8.360 nan 0.000 0.458 28 R N 0.313 120.832 120.500 0.032 0.000 2.152 28 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 28 R C 1.847 178.162 176.300 0.025 0.000 1.117 28 R CA 0.742 56.857 56.100 0.025 0.000 0.981 28 R CB -0.069 30.246 30.300 0.024 0.000 0.870 28 R HN 0.185 nan 8.270 nan 0.000 0.451 29 L N 1.035 122.298 121.223 0.067 0.000 2.629 29 L HA 0.108 4.448 4.340 -0.000 0.000 0.230 29 L C -0.245 176.564 176.870 -0.102 0.000 1.151 29 L CA -0.122 54.748 54.840 0.050 0.000 0.924 29 L CB -0.177 42.007 42.059 0.208 0.000 1.137 29 L HN 0.258 nan 8.230 nan 0.000 0.457 30 N N -0.445 118.210 118.700 -0.075 0.000 2.776 30 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 30 N C -0.442 174.914 175.510 -0.258 0.000 1.111 30 N CA 0.850 53.810 53.050 -0.150 0.000 0.711 30 N CB -1.656 36.727 38.487 -0.173 0.000 1.065 30 N HN 0.196 nan 8.380 nan 0.000 0.556 31 F N 1.105 121.022 119.950 -0.055 0.000 2.375 31 F HA 0.250 4.777 4.527 -0.000 0.000 0.333 31 F C 1.464 177.217 175.800 -0.077 0.000 1.104 31 F CA -0.402 57.562 58.000 -0.060 0.000 1.149 31 F CB 0.795 39.751 39.000 -0.074 0.000 1.190 31 F HN -0.069 nan 8.300 nan 0.000 0.533 32 Q N 3.612 123.488 119.800 0.126 0.000 2.279 32 Q HA 0.319 4.659 4.340 -0.000 0.000 0.256 32 Q C -0.958 175.059 176.000 0.027 0.000 0.937 32 Q CA -0.652 55.183 55.803 0.053 0.000 0.933 32 Q CB 0.653 29.418 28.738 0.045 0.000 1.189 32 Q HN 0.415 nan 8.270 nan 0.000 0.417 33 I N 5.085 125.625 120.570 -0.051 0.000 2.396 33 I HA 0.295 4.465 4.170 -0.000 0.000 0.292 33 I C 0.221 176.307 176.117 -0.052 0.000 0.999 33 I CA -0.648 60.584 61.300 -0.113 0.000 1.310 33 I CB 0.595 38.453 38.000 -0.236 0.000 1.404 33 I HN 0.445 nan 8.210 nan 0.000 0.496 34 V N 3.961 123.767 119.914 -0.181 0.000 2.914 34 V HA 0.576 4.696 4.120 -0.000 0.000 0.314 34 V C -1.475 174.440 176.094 -0.297 0.000 1.084 34 V CA -0.756 61.491 62.300 -0.089 0.000 0.963 34 V CB 2.047 33.853 31.823 -0.027 0.000 1.025 34 V HN 0.555 nan 8.190 nan 0.000 0.432 35 Y N 3.750 124.063 120.300 0.021 0.000 2.787 35 Y HA 0.532 5.082 4.550 -0.000 0.000 0.352 35 Y C -2.212 173.687 175.900 -0.002 0.000 1.027 35 Y CA -2.000 56.103 58.100 0.005 0.000 1.219 35 Y CB 1.347 39.808 38.460 0.002 0.000 1.110 35 Y HN 0.597 nan 8.280 nan 0.000 0.614 36 P HA 0.077 nan 4.420 nan 0.000 0.269 36 P C -0.092 177.245 177.300 0.061 0.000 1.209 36 P CA 0.171 63.291 63.100 0.034 0.000 0.776 36 P CB 1.332 33.012 31.700 -0.034 0.000 0.876 37 N N 0.567 119.303 118.700 0.061 0.000 2.331 37 N HA -0.100 4.640 4.740 -0.000 0.000 0.180 37 N C 0.060 175.618 175.510 0.080 0.000 1.019 37 N CA 0.806 53.905 53.050 0.081 0.000 0.881 37 N CB 0.009 38.537 38.487 0.068 0.000 0.972 37 N HN 0.649 nan 8.380 nan 0.000 0.435 38 D N -2.649 117.773 120.400 0.037 0.000 2.792 38 D HA 0.104 4.744 4.640 -0.000 0.000 0.335 38 D C 0.221 176.499 176.300 -0.037 0.000 1.353 38 D CA -0.759 53.267 54.000 0.043 0.000 0.839 38 D CB 0.704 41.547 40.800 0.072 0.000 1.396 38 D HN -0.384 nan 8.370 nan 0.000 0.479 39 R N -0.132 120.356 120.500 -0.020 0.000 2.083 39 R HA -0.120 4.220 4.340 -0.000 0.000 0.237 39 R C 0.673 176.931 176.300 -0.070 0.000 1.137 39 R CA 1.918 57.967 56.100 -0.086 0.000 0.951 39 R CB -0.821 29.475 30.300 -0.007 0.000 0.851 39 R HN 0.545 nan 8.270 nan 0.000 0.434 40 D N 0.493 120.875 120.400 -0.029 0.000 2.144 40 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 40 D C 1.551 177.834 176.300 -0.028 0.000 0.984 40 D CA 1.100 55.084 54.000 -0.026 0.000 0.834 40 D CB -0.438 40.356 40.800 -0.010 0.000 0.955 40 D HN 0.260 nan 8.370 nan 0.000 0.465 41 D N 0.047 120.434 120.400 -0.023 0.000 2.117 41 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 41 D C 2.085 178.363 176.300 -0.037 0.000 0.987 41 D CA 0.343 54.332 54.000 -0.017 0.000 0.829 41 D CB -0.165 40.635 40.800 -0.001 0.000 0.961 41 D HN 0.120 nan 8.370 nan 0.000 0.460 42 L N 0.413 121.595 121.223 -0.069 0.000 2.017 42 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 42 L C 2.263 179.084 176.870 -0.082 0.000 1.073 42 L CA 1.509 56.292 54.840 -0.094 0.000 0.745 42 L CB -0.666 41.295 42.059 -0.164 0.000 0.894 42 L HN 0.104 nan 8.230 nan 0.000 0.432 43 L N -0.636 120.539 121.223 -0.080 0.000 2.083 43 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 43 L C 2.631 179.477 176.870 -0.040 0.000 1.083 43 L CA 1.022 55.823 54.840 -0.065 0.000 0.752 43 L CB -0.788 41.235 42.059 -0.061 0.000 0.899 43 L HN 0.238 nan 8.230 nan 0.000 0.433 44 K N 0.328 120.710 120.400 -0.030 0.000 2.097 44 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 44 K C 2.116 178.708 176.600 -0.013 0.000 1.050 44 K CA 1.129 57.406 56.287 -0.016 0.000 0.938 44 K CB -0.475 32.019 32.500 -0.009 0.000 0.718 44 K HN 0.302 nan 8.250 nan 0.000 0.442 45 L N 0.567 121.779 121.223 -0.018 0.000 2.012 45 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 45 L C 2.434 179.296 176.870 -0.013 0.000 1.073 45 L CA 1.105 55.937 54.840 -0.013 0.000 0.748 45 L CB -0.387 41.659 42.059 -0.021 0.000 0.891 45 L HN 0.082 nan 8.230 nan 0.000 0.431 46 I N -0.454 120.101 120.570 -0.025 0.000 2.179 46 I HA -0.329 3.841 4.170 -0.000 0.000 0.242 46 I C 2.632 178.745 176.117 -0.007 0.000 1.088 46 I CA 1.476 62.764 61.300 -0.020 0.000 1.357 46 I CB -0.337 37.638 38.000 -0.041 0.000 1.051 46 I HN 0.336 nan 8.210 nan 0.000 0.409 47 E N 1.007 121.201 120.200 -0.010 0.000 2.085 47 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 47 E C 1.543 178.146 176.600 0.005 0.000 0.994 47 E CA 1.442 57.840 56.400 -0.003 0.000 0.801 47 E CB 0.070 29.767 29.700 -0.006 0.000 0.743 47 E HN 0.469 nan 8.360 nan 0.000 0.453 48 N N 0.430 119.133 118.700 0.006 0.000 2.373 48 N HA 0.020 4.760 4.740 -0.000 0.000 0.181 48 N C -0.461 175.058 175.510 0.014 0.000 1.082 48 N CA 0.323 53.379 53.050 0.010 0.000 0.885 48 N CB 0.402 38.895 38.487 0.010 0.000 0.977 48 N HN 0.091 nan 8.380 nan 0.000 0.462 49 N N 0.233 118.943 118.700 0.016 0.000 2.617 49 N HA 0.225 4.965 4.740 -0.000 0.000 0.263 49 N C 0.042 175.573 175.510 0.035 0.000 1.074 49 N CA -0.114 52.950 53.050 0.024 0.000 0.841 49 N CB 1.967 40.468 38.487 0.022 0.000 1.221 49 N HN -0.054 nan 8.380 nan 0.000 0.529 50 A N 1.626 124.470 122.820 0.040 0.000 2.067 50 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 50 A C 1.878 179.512 177.584 0.085 0.000 1.158 50 A CA 1.067 53.138 52.037 0.057 0.000 0.661 50 A CB -0.041 18.986 19.000 0.044 0.000 0.801 50 A HN 0.489 nan 8.150 nan 0.000 0.452 51 R N -1.088 119.455 120.500 0.072 0.000 2.313 51 R HA 0.219 4.559 4.340 -0.000 0.000 0.199 51 R C 0.240 176.607 176.300 0.112 0.000 0.958 51 R CA -0.217 55.938 56.100 0.092 0.000 1.047 51 R CB -0.287 30.051 30.300 0.063 0.000 0.955 51 R HN 0.491 nan 8.270 nan 0.000 0.481 52 L N 1.579 122.854 121.223 0.087 0.000 2.456 52 L HA -0.005 4.334 4.340 -0.000 0.000 0.277 52 L C 0.739 177.659 176.870 0.084 0.000 1.124 52 L CA -0.191 54.692 54.840 0.070 0.000 0.880 52 L CB 0.536 42.612 42.059 0.028 0.000 1.192 52 L HN 0.331 nan 8.230 nan 0.000 0.463 53 C N 1.707 121.071 119.300 0.106 0.000 3.385 53 C HA 0.742 5.202 4.460 -0.000 0.000 0.288 53 C C 0.603 175.578 174.990 -0.025 0.000 1.429 53 C CA -0.044 59.037 59.018 0.105 0.000 1.778 53 C CB -0.961 26.966 27.740 0.311 0.000 2.503 53 C HN 0.847 nan 8.230 nan 0.000 0.646 54 G N 0.080 108.877 108.800 -0.004 0.000 2.702 54 G HA2 0.570 4.529 3.960 -0.000 0.000 0.296 54 G HA3 0.570 4.529 3.960 -0.000 0.000 0.296 54 G C -1.850 173.070 174.900 0.034 0.000 1.463 54 G CA -0.245 44.869 45.100 0.023 0.000 0.890 54 G HN 0.395 nan 8.290 nan 0.000 0.534 55 V N 1.887 121.817 119.914 0.027 0.000 2.525 55 V HA 0.500 4.619 4.120 -0.000 0.000 0.299 55 V C -0.221 176.069 176.094 0.326 0.000 1.034 55 V CA -0.587 61.786 62.300 0.121 0.000 0.863 55 V CB 1.532 33.388 31.823 0.055 0.000 0.999 55 V HN 0.682 nan 8.190 nan 0.000 0.423 56 I N 6.564 127.318 120.570 0.307 0.000 2.336 56 I HA 0.674 4.844 4.170 -0.000 0.000 0.292 56 I C -0.553 175.790 176.117 0.375 0.000 0.991 56 I CA -0.223 61.281 61.300 0.341 0.000 1.227 56 I CB 1.001 39.106 38.000 0.175 0.000 1.366 56 I HN 0.726 nan 8.210 nan 0.000 0.466 57 F N 2.602 122.709 119.950 0.261 0.000 2.713 57 F HA 0.423 4.950 4.527 -0.000 0.000 0.311 57 F C -0.960 175.100 175.800 0.434 0.000 1.141 57 F CA -1.623 56.530 58.000 0.255 0.000 0.939 57 F CB 0.755 39.842 39.000 0.145 0.000 1.325 57 F HN 0.303 nan 8.300 nan 0.000 0.453 58 D N 3.077 123.830 120.400 0.589 0.000 2.339 58 D HA 0.009 4.649 4.640 -0.000 0.000 0.256 58 D C 0.863 177.513 176.300 0.583 0.000 1.214 58 D CA -0.240 54.083 54.000 0.537 0.000 0.877 58 D CB 0.613 41.688 40.800 0.459 0.000 1.111 58 D HN 0.635 nan 8.370 nan 0.000 0.478 59 W N 4.167 125.617 121.300 0.249 0.000 2.317 59 W HA -0.258 4.401 4.660 -0.000 0.000 0.318 59 W C 0.722 177.440 176.519 0.331 0.000 1.227 59 W CA 1.356 58.876 57.345 0.292 0.000 1.269 59 W CB -0.004 29.584 29.460 0.213 0.000 1.155 59 W HN 0.525 nan 8.180 nan 0.000 0.484 60 D N 0.017 120.604 120.400 0.313 0.000 2.117 60 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 60 D C 2.000 178.300 176.300 0.000 0.000 0.987 60 D CA 1.759 55.833 54.000 0.122 0.000 0.829 60 D CB -0.584 40.337 40.800 0.203 0.000 0.961 60 D HN 0.176 nan 8.370 nan 0.000 0.460 61 K N -0.978 119.430 120.400 0.012 0.000 2.103 61 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 61 K C 1.148 177.502 176.600 -0.410 0.000 1.048 61 K CA 1.292 57.426 56.287 -0.254 0.000 0.930 61 K CB 0.043 32.314 32.500 -0.382 0.000 0.716 61 K HN 0.274 nan 8.250 nan 0.000 0.444 62 Y N -1.363 118.966 120.300 0.049 0.000 2.425 62 Y HA 0.056 4.606 4.550 -0.000 0.000 0.261 62 Y C 1.549 177.312 175.900 -0.229 0.000 1.084 62 Y CA -0.059 58.004 58.100 -0.061 0.000 1.248 62 Y CB 0.237 38.675 38.460 -0.038 0.000 1.270 62 Y HN 0.240 nan 8.280 nan 0.000 0.524 63 N N 1.157 119.745 118.700 -0.186 0.000 2.149 63 N HA -0.184 4.555 4.740 -0.000 0.000 0.188 63 N C 1.239 176.548 175.510 -0.335 0.000 1.019 63 N CA 1.776 54.527 53.050 -0.498 0.000 0.857 63 N CB -0.697 36.833 38.487 -1.596 0.000 0.997 63 N HN 0.303 nan 8.380 nan 0.000 0.426 64 L N -0.546 120.530 121.223 -0.245 0.000 2.376 64 L HA 0.065 4.405 4.340 -0.000 0.000 0.219 64 L C 1.636 178.450 176.870 -0.095 0.000 1.133 64 L CA 0.621 55.377 54.840 -0.139 0.000 0.816 64 L CB -0.267 41.732 42.059 -0.101 0.000 0.933 64 L HN 0.248 nan 8.230 nan 0.000 0.449 65 E N -0.383 119.768 120.200 -0.082 0.000 2.400 65 E HA 0.073 4.423 4.350 -0.000 0.000 0.195 65 E C 1.997 178.544 176.600 -0.090 0.000 1.012 65 E CA 0.540 56.913 56.400 -0.045 0.000 0.875 65 E CB 0.565 30.287 29.700 0.037 0.000 0.859 65 E HN 0.480 nan 8.360 nan 0.000 0.498 66 L N -0.775 120.349 121.223 -0.165 0.000 2.600 66 L HA 0.095 4.435 4.340 -0.000 0.000 0.213 66 L C 2.197 178.948 176.870 -0.199 0.000 1.045 66 L CA 0.151 54.843 54.840 -0.246 0.000 0.863 66 L CB 0.008 41.768 42.059 -0.497 0.000 1.189 66 L HN 0.089 nan 8.230 nan 0.000 0.484 67 C N 0.363 119.561 119.300 -0.169 0.000 2.432 67 C HA -0.184 4.276 4.460 -0.000 0.000 0.277 67 C C 2.660 177.619 174.990 -0.052 0.000 1.249 67 C CA 1.314 60.282 59.018 -0.083 0.000 1.725 67 C CB -0.497 27.236 27.740 -0.011 0.000 2.028 67 C HN 0.535 nan 8.230 nan 0.000 0.477 68 E N 0.698 120.870 120.200 -0.047 0.000 2.077 68 E HA -0.208 4.141 4.350 -0.000 0.000 0.193 68 E C 2.047 178.622 176.600 -0.042 0.000 0.989 68 E CA 1.125 57.506 56.400 -0.032 0.000 0.800 68 E CB -0.061 29.624 29.700 -0.026 0.000 0.746 68 E HN 0.505 nan 8.360 nan 0.000 0.452 69 E N 0.539 120.703 120.200 -0.059 0.000 2.085 69 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 69 E C 2.205 178.767 176.600 -0.063 0.000 0.994 69 E CA 0.957 57.321 56.400 -0.060 0.000 0.801 69 E CB -0.238 29.419 29.700 -0.071 0.000 0.743 69 E HN 0.462 nan 8.360 nan 0.000 0.453 70 I N 1.367 121.888 120.570 -0.082 0.000 2.252 70 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 70 I C 2.567 178.653 176.117 -0.052 0.000 1.102 70 I CA 1.300 62.553 61.300 -0.080 0.000 1.385 70 I CB -0.374 37.559 38.000 -0.112 0.000 1.064 70 I HN 0.068 nan 8.210 nan 0.000 0.414 71 S N 1.032 116.708 115.700 -0.040 0.000 2.400 71 S HA -0.234 4.235 4.470 -0.000 0.000 0.232 71 S C 1.912 176.502 174.600 -0.018 0.000 1.025 71 S CA 1.150 59.336 58.200 -0.022 0.000 0.993 71 S CB -0.477 62.717 63.200 -0.010 0.000 0.808 71 S HN 0.417 nan 8.310 nan 0.000 0.478 72 K N 0.291 120.678 120.400 -0.022 0.000 2.211 72 K HA 0.155 4.474 4.320 -0.000 0.000 0.203 72 K C 2.137 178.728 176.600 -0.016 0.000 1.050 72 K CA 1.371 57.648 56.287 -0.017 0.000 0.945 72 K CB -0.220 32.268 32.500 -0.019 0.000 0.732 72 K HN 0.469 nan 8.250 nan 0.000 0.451 73 M N -0.372 119.216 119.600 -0.020 0.000 2.447 73 M HA 0.009 4.489 4.480 -0.000 0.000 0.266 73 M C 0.213 176.511 176.300 -0.004 0.000 1.120 73 M CA 0.475 55.766 55.300 -0.015 0.000 1.166 73 M CB 0.505 33.092 32.600 -0.023 0.000 1.349 73 M HN -0.039 nan 8.290 nan 0.000 0.463 74 N N 0.253 118.949 118.700 -0.006 0.000 2.812 74 N HA 0.085 4.825 4.740 -0.000 0.000 0.262 74 N C -0.656 174.856 175.510 0.004 0.000 1.241 74 N CA 0.062 53.119 53.050 0.013 0.000 0.854 74 N CB 0.892 39.390 38.487 0.018 0.000 1.506 74 N HN -0.070 nan 8.380 nan 0.000 0.576 75 E N 1.456 121.668 120.200 0.020 0.000 2.267 75 E HA -0.049 4.301 4.350 -0.000 0.000 0.197 75 E C 0.396 177.003 176.600 0.011 0.000 0.998 75 E CA 1.440 57.849 56.400 0.014 0.000 0.830 75 E CB 0.087 29.799 29.700 0.019 0.000 0.751 75 E HN 0.625 nan 8.360 nan 0.000 0.491 76 N N -0.985 117.734 118.700 0.033 0.000 2.193 76 N HA 0.109 4.849 4.740 -0.000 0.000 0.210 76 N C -0.723 174.721 175.510 -0.109 0.000 1.215 76 N CA -0.349 52.751 53.050 0.084 0.000 0.901 76 N CB 0.696 39.347 38.487 0.274 0.000 1.060 76 N HN -0.008 nan 8.380 nan 0.000 0.508 77 L N 3.011 124.105 121.223 -0.214 0.000 2.500 77 L HA 0.273 4.613 4.340 -0.000 0.000 0.272 77 L C -2.452 174.151 176.870 -0.445 0.000 1.149 77 L CA -1.728 52.822 54.840 -0.483 0.000 0.897 77 L CB 0.089 41.986 42.059 -0.270 0.000 1.178 77 L HN -0.089 nan 8.230 nan 0.000 0.473 78 P HA 0.098 nan 4.420 nan 0.000 0.263 78 P C -1.104 175.778 177.300 -0.696 0.000 1.195 78 P CA 0.373 63.125 63.100 -0.580 0.000 0.762 78 P CB 0.376 31.759 31.700 -0.528 0.000 0.799 79 L N 4.551 125.395 121.223 -0.632 0.000 2.322 79 L HA 0.425 4.765 4.340 -0.000 0.000 0.281 79 L C -0.421 176.084 176.870 -0.608 0.000 1.014 79 L CA -0.722 53.885 54.840 -0.389 0.000 0.815 79 L CB 1.097 43.171 42.059 0.026 0.000 1.247 79 L HN 0.402 nan 8.230 nan 0.000 0.421 80 Y N 2.091 122.377 120.300 -0.023 0.000 2.575 80 Y HA 0.563 5.113 4.550 -0.000 0.000 0.326 80 Y C 0.382 176.144 175.900 -0.231 0.000 0.979 80 Y CA -0.792 57.272 58.100 -0.060 0.000 1.286 80 Y CB 1.477 40.070 38.460 0.223 0.000 1.093 80 Y HN 0.608 nan 8.280 nan 0.000 0.501 81 A N 3.635 126.191 122.820 -0.439 0.000 2.260 81 A HA 0.670 4.989 4.320 -0.000 0.000 0.314 81 A C -1.200 176.205 177.584 -0.297 0.000 1.257 81 A CA -0.460 51.247 52.037 -0.550 0.000 0.871 81 A CB 0.106 18.838 19.000 -0.446 0.000 1.166 81 A HN 0.586 nan 8.150 nan 0.000 0.522 82 F N 2.085 121.920 119.950 -0.192 0.000 2.404 82 F HA 0.520 5.047 4.527 -0.000 0.000 0.358 82 F C 0.893 176.680 175.800 -0.022 0.000 1.120 82 F CA -0.015 57.838 58.000 -0.244 0.000 1.144 82 F CB 1.498 40.079 39.000 -0.699 0.000 1.133 82 F HN 0.678 nan 8.300 nan 0.000 0.495 83 A N 4.292 127.147 122.820 0.059 0.000 2.304 83 A HA 0.524 4.844 4.320 -0.000 0.000 0.301 83 A C -0.182 177.550 177.584 0.247 0.000 1.132 83 A CA -0.677 51.450 52.037 0.148 0.000 0.819 83 A CB 0.495 19.466 19.000 -0.048 0.000 1.094 83 A HN 0.866 nan 8.150 nan 0.000 0.492 84 N N -0.243 118.619 118.700 0.269 0.000 2.476 84 N HA 0.306 5.045 4.740 -0.000 0.000 0.276 84 N C 0.879 176.420 175.510 0.052 0.000 1.204 84 N CA -0.323 52.865 53.050 0.229 0.000 0.974 84 N CB 0.855 39.490 38.487 0.247 0.000 1.204 84 N HN 0.615 nan 8.380 nan 0.000 0.543 85 T N -0.080 114.417 114.554 -0.096 0.000 2.665 85 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 85 T C 0.932 175.414 174.700 -0.364 0.000 1.035 85 T CA 1.674 63.563 62.100 -0.352 0.000 1.151 85 T CB -0.379 68.069 68.868 -0.700 0.000 0.862 85 T HN 0.482 nan 8.240 nan 0.000 0.438 86 Y N 1.202 121.549 120.300 0.077 0.000 2.493 86 Y HA 0.353 4.903 4.550 -0.000 0.000 0.275 86 Y C 1.204 177.155 175.900 0.085 0.000 1.183 86 Y CA -0.839 57.299 58.100 0.064 0.000 1.258 86 Y CB 0.038 38.535 38.460 0.062 0.000 1.108 86 Y HN -0.011 nan 8.280 nan 0.000 0.521 87 S N 0.800 116.612 115.700 0.187 0.000 2.552 87 S HA 0.123 4.593 4.470 -0.000 0.000 0.289 87 S C 0.446 175.126 174.600 0.133 0.000 1.304 87 S CA 0.295 58.633 58.200 0.230 0.000 1.063 87 S CB 0.876 64.200 63.200 0.206 0.000 0.848 87 S HN 0.379 nan 8.310 nan 0.000 0.499 88 T N 2.154 116.851 114.554 0.238 0.000 2.812 88 T HA 0.585 4.934 4.350 -0.000 0.000 0.294 88 T C -1.612 173.272 174.700 0.307 0.000 1.159 88 T CA -0.767 61.425 62.100 0.153 0.000 1.008 88 T CB 0.512 69.455 68.868 0.125 0.000 1.289 88 T HN 0.422 nan 8.240 nan 0.000 0.514 89 L N 2.744 124.085 121.223 0.195 0.000 2.280 89 L HA 0.475 4.814 4.340 -0.000 0.000 0.287 89 L C -0.254 176.737 176.870 0.202 0.000 1.023 89 L CA -0.890 54.118 54.840 0.280 0.000 0.819 89 L CB 1.349 43.510 42.059 0.169 0.000 1.212 89 L HN 0.696 nan 8.230 nan 0.000 0.420 90 D N 1.426 121.955 120.400 0.215 0.000 2.382 90 D HA 0.016 4.655 4.640 -0.000 0.000 0.245 90 D C 0.889 177.251 176.300 0.104 0.000 1.120 90 D CA -0.039 54.036 54.000 0.125 0.000 0.890 90 D CB 1.864 42.717 40.800 0.089 0.000 1.201 90 D HN 0.260 nan 8.370 nan 0.000 0.433 91 V N 3.083 123.039 119.914 0.070 0.000 2.568 91 V HA -0.230 3.889 4.120 -0.000 0.000 0.253 91 V C 1.950 178.075 176.094 0.053 0.000 1.072 91 V CA 2.533 64.867 62.300 0.056 0.000 1.084 91 V CB -0.652 31.194 31.823 0.039 0.000 0.676 91 V HN 0.774 nan 8.190 nan 0.000 0.469 92 S N -0.472 115.257 115.700 0.048 0.000 2.469 92 S HA -0.099 4.371 4.470 -0.000 0.000 0.238 92 S C 1.650 176.279 174.600 0.049 0.000 0.998 92 S CA 1.683 59.905 58.200 0.037 0.000 0.957 92 S CB -0.578 62.635 63.200 0.022 0.000 0.764 92 S HN 0.636 nan 8.310 nan 0.000 0.514 93 L N 0.549 121.820 121.223 0.080 0.000 2.509 93 L HA 0.163 4.503 4.340 -0.000 0.000 0.222 93 L C 2.121 179.045 176.870 0.090 0.000 1.123 93 L CA 0.072 54.974 54.840 0.104 0.000 0.856 93 L CB -0.675 41.498 42.059 0.189 0.000 0.985 93 L HN 0.184 nan 8.230 nan 0.000 0.456 94 N N 0.905 119.648 118.700 0.072 0.000 2.060 94 N HA -0.208 4.532 4.740 -0.000 0.000 0.195 94 N C 1.147 176.683 175.510 0.045 0.000 1.028 94 N CA 1.612 54.697 53.050 0.057 0.000 0.861 94 N CB -0.147 38.366 38.487 0.043 0.000 1.029 94 N HN 0.300 nan 8.380 nan 0.000 0.428 95 D N -0.164 120.258 120.400 0.037 0.000 2.349 95 D HA 0.116 4.756 4.640 -0.000 0.000 0.214 95 D C 0.153 176.469 176.300 0.026 0.000 1.063 95 D CA -0.030 53.986 54.000 0.027 0.000 0.847 95 D CB 0.334 41.145 40.800 0.018 0.000 0.933 95 D HN 0.225 nan 8.370 nan 0.000 0.513 96 L N 1.084 122.328 121.223 0.035 0.000 2.397 96 L HA 0.242 4.582 4.340 -0.000 0.000 0.271 96 L C 0.961 177.849 176.870 0.030 0.000 1.148 96 L CA -0.247 54.612 54.840 0.031 0.000 0.825 96 L CB 0.956 43.039 42.059 0.040 0.000 1.117 96 L HN -0.379 nan 8.230 nan 0.000 0.456 97 R N 4.549 125.060 120.500 0.019 0.000 2.220 97 R HA 0.532 4.872 4.340 -0.000 0.000 0.340 97 R C -1.031 175.275 176.300 0.010 0.000 1.076 97 R CA -0.213 55.895 56.100 0.015 0.000 0.920 97 R CB 0.337 30.642 30.300 0.010 0.000 1.062 97 R HN 0.494 nan 8.270 nan 0.000 0.469 98 L N 2.280 123.510 121.223 0.011 0.000 2.409 98 L HA 0.305 4.645 4.340 -0.000 0.000 0.262 98 L C -0.582 176.268 176.870 -0.034 0.000 0.992 98 L CA -1.081 53.758 54.840 -0.002 0.000 0.817 98 L CB 2.343 44.428 42.059 0.043 0.000 1.350 98 L HN 0.322 nan 8.230 nan 0.000 0.411 99 Q N 3.413 123.164 119.800 -0.081 0.000 2.462 99 Q HA 0.604 4.944 4.340 -0.000 0.000 0.247 99 Q C -1.570 174.298 176.000 -0.219 0.000 1.044 99 Q CA 0.084 55.812 55.803 -0.126 0.000 0.803 99 Q CB 0.752 29.415 28.738 -0.124 0.000 1.190 99 Q HN 0.513 nan 8.270 nan 0.000 0.507 100 I N 1.878 122.291 120.570 -0.262 0.000 2.433 100 I HA 0.502 4.671 4.170 -0.000 0.000 0.292 100 I C -0.408 175.334 176.117 -0.626 0.000 1.001 100 I CA -0.780 60.231 61.300 -0.483 0.000 1.119 100 I CB 2.346 39.975 38.000 -0.619 0.000 1.289 100 I HN 0.408 nan 8.210 nan 0.000 0.438 101 S N 5.148 120.420 115.700 -0.714 0.000 2.482 101 S HA 0.637 5.107 4.470 -0.000 0.000 0.303 101 S C -0.726 173.168 174.600 -1.177 0.000 1.091 101 S CA -0.540 57.190 58.200 -0.783 0.000 1.057 101 S CB 1.035 63.900 63.200 -0.558 0.000 1.031 101 S HN 0.261 nan 8.310 nan 0.000 0.485 102 F N 2.191 121.631 119.950 -0.850 0.000 2.421 102 F HA 0.631 5.158 4.527 -0.000 0.000 0.337 102 F C -0.126 175.068 175.800 -1.010 0.000 1.105 102 F CA -0.580 56.930 58.000 -0.817 0.000 1.049 102 F CB 0.844 39.491 39.000 -0.588 0.000 1.139 102 F HN 0.474 nan 8.300 nan 0.000 0.479 103 F N 0.483 120.128 119.950 -0.508 0.000 2.620 103 F HA 0.466 4.993 4.527 -0.000 0.000 0.320 103 F C -0.173 175.274 175.800 -0.589 0.000 1.069 103 F CA -1.087 56.496 58.000 -0.696 0.000 0.953 103 F CB 1.821 40.027 39.000 -1.322 0.000 1.322 103 F HN 0.361 nan 8.300 nan 0.000 0.479 104 E N -0.007 120.129 120.200 -0.107 0.000 2.227 104 E HA 0.275 4.625 4.350 -0.000 0.000 0.268 104 E C -1.740 174.954 176.600 0.157 0.000 0.990 104 E CA -0.935 55.474 56.400 0.015 0.000 0.856 104 E CB 1.573 31.323 29.700 0.082 0.000 1.159 104 E HN 0.452 nan 8.360 nan 0.000 0.401 105 Y N 0.746 121.264 120.300 0.365 0.000 2.452 105 Y HA 0.419 4.969 4.550 -0.000 0.000 0.348 105 Y C 0.154 176.198 175.900 0.240 0.000 0.985 105 Y CA -0.406 57.882 58.100 0.314 0.000 1.214 105 Y CB 0.901 39.506 38.460 0.241 0.000 1.136 105 Y HN 0.404 nan 8.280 nan 0.000 0.523 106 A N 4.129 127.134 122.820 0.307 0.000 2.517 106 A HA 0.617 4.937 4.320 -0.000 0.000 0.297 106 A C -1.196 176.476 177.584 0.148 0.000 1.050 106 A CA -0.871 51.291 52.037 0.208 0.000 0.694 106 A CB 0.950 20.040 19.000 0.150 0.000 1.277 106 A HN 0.717 nan 8.150 nan 0.000 0.400 107 L N 1.753 123.054 121.223 0.130 0.000 2.456 107 L HA 0.440 4.780 4.340 -0.000 0.000 0.272 107 L C 1.587 178.499 176.870 0.070 0.000 1.189 107 L CA 1.319 56.216 54.840 0.094 0.000 0.846 107 L CB 0.569 42.691 42.059 0.105 0.000 1.111 107 L HN 1.512 nan 8.230 nan 0.000 0.475 108 G N 1.983 110.812 108.800 0.049 0.000 2.184 108 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.264 108 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.264 108 G C 0.880 175.793 174.900 0.022 0.000 0.975 108 G CA 0.502 45.622 45.100 0.033 0.000 0.642 108 G HN 0.866 nan 8.290 nan 0.000 0.536 109 A N 0.044 122.879 122.820 0.026 0.000 2.169 109 A HA 0.665 4.985 4.320 -0.000 0.000 0.212 109 A C 2.627 180.188 177.584 -0.038 0.000 1.153 109 A CA 1.693 53.733 52.037 0.004 0.000 0.756 109 A CB -0.486 18.529 19.000 0.024 0.000 0.813 109 A HN 1.721 nan 8.150 nan 0.000 0.471 110 A N 0.479 123.280 122.820 -0.032 0.000 1.908 110 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 110 A C 1.991 179.525 177.584 -0.083 0.000 1.181 110 A CA 1.845 53.843 52.037 -0.065 0.000 0.627 110 A CB -0.498 18.480 19.000 -0.037 0.000 0.818 110 A HN 0.687 nan 8.150 nan 0.000 0.445 111 E N -0.350 119.820 120.200 -0.049 0.000 2.077 111 E HA -0.277 4.073 4.350 -0.000 0.000 0.193 111 E C 1.693 178.257 176.600 -0.060 0.000 0.989 111 E CA 1.546 57.921 56.400 -0.043 0.000 0.800 111 E CB -0.235 29.454 29.700 -0.018 0.000 0.746 111 E HN 0.595 nan 8.360 nan 0.000 0.452 112 D N -0.043 120.320 120.400 -0.061 0.000 2.117 112 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 112 D C 1.995 178.219 176.300 -0.128 0.000 0.982 112 D CA 1.279 55.241 54.000 -0.063 0.000 0.828 112 D CB -0.052 40.727 40.800 -0.036 0.000 0.967 112 D HN 0.288 nan 8.370 nan 0.000 0.464 113 I N 0.428 120.862 120.570 -0.226 0.000 2.226 113 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 113 I C 2.484 178.347 176.117 -0.424 0.000 1.100 113 I CA 1.032 62.038 61.300 -0.488 0.000 1.374 113 I CB -0.362 37.220 38.000 -0.696 0.000 1.057 113 I HN 0.050 nan 8.210 nan 0.000 0.413 114 A N 1.033 123.683 122.820 -0.283 0.000 1.908 114 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 114 A C 2.021 179.519 177.584 -0.143 0.000 1.181 114 A CA 2.293 54.191 52.037 -0.233 0.000 0.627 114 A CB -1.107 17.813 19.000 -0.132 0.000 0.818 114 A HN 0.525 nan 8.150 nan 0.000 0.445 115 N N -0.574 118.075 118.700 -0.085 0.000 2.166 115 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 115 N C 1.721 177.219 175.510 -0.021 0.000 1.019 115 N CA 1.408 54.444 53.050 -0.025 0.000 0.856 115 N CB -0.149 38.332 38.487 -0.010 0.000 0.993 115 N HN 0.503 nan 8.380 nan 0.000 0.426 116 K N 0.762 121.131 120.400 -0.052 0.000 2.097 116 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 116 K C 1.891 178.486 176.600 -0.008 0.000 1.050 116 K CA 0.818 57.113 56.287 0.014 0.000 0.938 116 K CB -0.026 32.538 32.500 0.106 0.000 0.718 116 K HN 0.187 nan 8.250 nan 0.000 0.442 117 I N 1.234 121.682 120.570 -0.203 0.000 2.226 117 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 117 I C 2.410 178.476 176.117 -0.085 0.000 1.100 117 I CA 1.062 62.139 61.300 -0.371 0.000 1.374 117 I CB -0.196 37.321 38.000 -0.806 0.000 1.057 117 I HN 0.086 nan 8.210 nan 0.000 0.413 118 K N 1.360 121.770 120.400 0.016 0.000 2.009 118 K HA -0.263 4.057 4.320 -0.000 0.000 0.210 118 K C 2.133 178.839 176.600 0.178 0.000 1.049 118 K CA 1.772 58.197 56.287 0.231 0.000 0.929 118 K CB -0.425 32.209 32.500 0.223 0.000 0.714 118 K HN 0.223 nan 8.250 nan 0.000 0.440 119 Q N -0.639 119.230 119.800 0.115 0.000 2.077 119 Q HA -0.156 4.184 4.340 -0.000 0.000 0.206 119 Q C 1.654 177.737 176.000 0.137 0.000 0.989 119 Q CA 2.540 58.408 55.803 0.108 0.000 0.853 119 Q CB -0.191 28.596 28.738 0.081 0.000 0.907 119 Q HN 0.456 nan 8.270 nan 0.000 0.418 120 T N -0.356 114.296 114.554 0.163 0.000 2.904 120 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 120 T C 1.722 176.570 174.700 0.246 0.000 1.059 120 T CA 1.457 63.679 62.100 0.204 0.000 1.137 120 T CB -0.307 68.737 68.868 0.294 0.000 0.879 120 T HN 0.379 nan 8.240 nan 0.000 0.467 121 T N 2.147 116.867 114.554 0.277 0.000 2.708 121 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 121 T C 1.675 176.548 174.700 0.288 0.000 1.037 121 T CA 1.237 63.540 62.100 0.339 0.000 1.146 121 T CB -0.428 68.686 68.868 0.410 0.000 0.865 121 T HN 0.320 nan 8.240 nan 0.000 0.435 122 D N 1.067 121.593 120.400 0.210 0.000 2.144 122 D HA -0.067 4.572 4.640 -0.000 0.000 0.199 122 D C 2.201 178.580 176.300 0.132 0.000 0.984 122 D CA 0.964 55.051 54.000 0.146 0.000 0.834 122 D CB -0.232 40.635 40.800 0.112 0.000 0.955 122 D HN 0.528 nan 8.370 nan 0.000 0.465 123 E N -0.495 119.794 120.200 0.148 0.000 2.106 123 E HA -0.176 4.173 4.350 -0.000 0.000 0.192 123 E C 1.958 178.657 176.600 0.166 0.000 0.984 123 E CA 0.524 57.002 56.400 0.131 0.000 0.806 123 E CB -0.189 29.584 29.700 0.120 0.000 0.750 123 E HN 0.459 nan 8.360 nan 0.000 0.458 124 Y N 1.175 121.517 120.300 0.069 0.000 2.114 124 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 124 Y C 2.076 178.013 175.900 0.060 0.000 1.143 124 Y CA 1.364 59.499 58.100 0.059 0.000 1.135 124 Y CB -0.052 38.448 38.460 0.067 0.000 0.980 124 Y HN -0.070 nan 8.280 nan 0.000 0.499 125 I N 0.980 121.506 120.570 -0.073 0.000 2.151 125 I HA -0.405 3.764 4.170 -0.000 0.000 0.243 125 I C 1.897 177.963 176.117 -0.085 0.000 1.080 125 I CA 1.618 62.827 61.300 -0.152 0.000 1.339 125 I CB -0.559 37.435 38.000 -0.010 0.000 1.039 125 I HN 0.374 nan 8.210 nan 0.000 0.409 126 N N 0.119 118.814 118.700 -0.008 0.000 2.289 126 N HA -0.121 4.618 4.740 -0.000 0.000 0.184 126 N C 1.801 177.307 175.510 -0.006 0.000 1.016 126 N CA 1.545 54.596 53.050 0.002 0.000 0.872 126 N CB -0.429 38.077 38.487 0.031 0.000 0.973 126 N HN 0.368 nan 8.380 nan 0.000 0.433 127 T N 1.705 116.260 114.554 0.002 0.000 2.812 127 T HA -0.000 4.350 4.350 -0.000 0.000 0.264 127 T C 2.017 176.715 174.700 -0.003 0.000 1.042 127 T CA 0.845 62.958 62.100 0.022 0.000 1.140 127 T CB -0.042 68.870 68.868 0.073 0.000 0.870 127 T HN 0.427 nan 8.240 nan 0.000 0.445 128 I N -1.161 119.357 120.570 -0.087 0.000 3.030 128 I HA 0.277 4.447 4.170 -0.000 0.000 0.270 128 I C 0.436 176.511 176.117 -0.069 0.000 1.211 128 I CA 0.174 61.422 61.300 -0.087 0.000 1.479 128 I CB -0.378 37.494 38.000 -0.214 0.000 1.105 128 I HN 0.038 nan 8.210 nan 0.000 0.447 129 L N 3.900 125.064 121.223 -0.099 0.000 2.416 129 L HA 0.299 4.639 4.340 -0.000 0.000 0.272 129 L C -1.927 174.839 176.870 -0.174 0.000 1.161 129 L CA -1.648 53.109 54.840 -0.138 0.000 0.845 129 L CB 0.246 42.218 42.059 -0.146 0.000 1.119 129 L HN 0.039 nan 8.230 nan 0.000 0.464 130 P HA 0.202 nan 4.420 nan 0.000 0.276 130 P C -2.356 174.696 177.300 -0.412 0.000 1.261 130 P CA -1.627 61.125 63.100 -0.580 0.000 0.800 130 P CB 0.343 31.466 31.700 -0.961 0.000 1.066 131 P HA -0.093 nan 4.420 nan 0.000 0.216 131 P C 1.817 178.991 177.300 -0.209 0.000 1.153 131 P CA 1.209 64.185 63.100 -0.207 0.000 0.848 131 P CB 0.020 31.644 31.700 -0.126 0.000 0.787 132 L N -0.879 120.187 121.223 -0.261 0.000 2.072 132 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 132 L C 2.204 178.920 176.870 -0.256 0.000 1.079 132 L CA 1.833 56.523 54.840 -0.251 0.000 0.752 132 L CB -1.088 40.773 42.059 -0.330 0.000 0.906 132 L HN -0.054 nan 8.230 nan 0.000 0.436 133 T N -0.178 114.168 114.554 -0.346 0.000 2.708 133 T HA -0.266 4.084 4.350 -0.000 0.000 0.266 133 T C 1.784 176.076 174.700 -0.680 0.000 1.037 133 T CA 1.882 63.659 62.100 -0.538 0.000 1.146 133 T CB -0.165 68.350 68.868 -0.587 0.000 0.865 133 T HN 0.294 nan 8.240 nan 0.000 0.435 134 K N 1.162 121.296 120.400 -0.443 0.000 2.044 134 K HA -0.106 4.214 4.320 -0.000 0.000 0.210 134 K C 2.450 178.993 176.600 -0.095 0.000 1.049 134 K CA 1.452 57.588 56.287 -0.253 0.000 0.927 134 K CB -0.383 32.025 32.500 -0.154 0.000 0.713 134 K HN 0.279 nan 8.250 nan 0.000 0.443 135 A N 0.915 123.691 122.820 -0.073 0.000 1.933 135 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 135 A C 2.047 179.697 177.584 0.110 0.000 1.175 135 A CA 1.377 53.430 52.037 0.027 0.000 0.628 135 A CB -0.595 18.414 19.000 0.015 0.000 0.814 135 A HN 0.410 nan 8.150 nan 0.000 0.444 136 L N -1.382 119.884 121.223 0.071 0.000 2.017 136 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 136 L C 2.111 179.211 176.870 0.382 0.000 1.073 136 L CA 1.901 56.869 54.840 0.213 0.000 0.745 136 L CB -0.708 41.458 42.059 0.178 0.000 0.894 136 L HN 0.325 nan 8.230 nan 0.000 0.432 137 F N 0.494 120.500 119.950 0.092 0.000 2.171 137 F HA -0.152 4.374 4.527 -0.000 0.000 0.300 137 F C 2.577 178.412 175.800 0.059 0.000 1.090 137 F CA 1.427 59.467 58.000 0.065 0.000 1.293 137 F CB -1.174 37.846 39.000 0.033 0.000 1.013 137 F HN 0.233 nan 8.300 nan 0.000 0.486 138 K N -0.546 120.013 120.400 0.265 0.000 2.057 138 K HA -0.254 4.066 4.320 -0.000 0.000 0.207 138 K C 2.283 178.967 176.600 0.139 0.000 1.049 138 K CA 1.329 57.712 56.287 0.160 0.000 0.931 138 K CB -0.642 31.933 32.500 0.125 0.000 0.714 138 K HN 0.220 nan 8.250 nan 0.000 0.440 139 Y N 1.299 121.662 120.300 0.104 0.000 2.128 139 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 139 Y C 1.877 177.826 175.900 0.082 0.000 1.154 139 Y CA 1.613 59.769 58.100 0.093 0.000 1.149 139 Y CB -0.383 38.142 38.460 0.108 0.000 0.976 139 Y HN -0.145 nan 8.280 nan 0.000 0.505 140 V N 1.045 120.982 119.914 0.039 0.000 2.343 140 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 140 V C 2.442 178.460 176.094 -0.126 0.000 1.051 140 V CA 2.337 64.604 62.300 -0.054 0.000 1.036 140 V CB -0.582 31.288 31.823 0.078 0.000 0.654 140 V HN 0.385 nan 8.190 nan 0.000 0.451 141 R N -0.300 120.161 120.500 -0.066 0.000 2.081 141 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 141 R C 2.100 178.336 176.300 -0.107 0.000 1.131 141 R CA 1.767 57.826 56.100 -0.067 0.000 0.960 141 R CB -0.125 30.163 30.300 -0.020 0.000 0.856 141 R HN 0.637 nan 8.270 nan 0.000 0.436 142 E N -0.716 119.396 120.200 -0.147 0.000 2.364 142 E HA 0.113 4.463 4.350 -0.000 0.000 0.203 142 E C 0.859 177.322 176.600 -0.228 0.000 0.888 142 E CA -0.044 56.273 56.400 -0.140 0.000 0.989 142 E CB 0.346 30.007 29.700 -0.066 0.000 0.985 142 E HN 0.208 nan 8.360 nan 0.000 0.499 143 G N 1.302 109.830 108.800 -0.453 0.000 2.664 143 G HA2 0.080 4.040 3.960 -0.000 0.000 0.242 143 G HA3 0.080 4.040 3.960 -0.000 0.000 0.242 143 G C 0.112 174.787 174.900 -0.375 0.000 1.225 143 G CA -0.041 44.739 45.100 -0.533 0.000 0.849 143 G HN -0.019 nan 8.290 nan 0.000 0.581 144 K N 0.036 120.287 120.400 -0.249 0.000 3.147 144 K HA 0.129 4.449 4.320 -0.000 0.000 0.190 144 K C -1.138 175.429 176.600 -0.054 0.000 1.094 144 K CA -0.299 55.906 56.287 -0.136 0.000 1.024 144 K CB 0.428 32.851 32.500 -0.129 0.000 0.700 144 K HN 0.479 nan 8.250 nan 0.000 0.424 145 Y N 1.083 121.477 120.300 0.156 0.000 2.411 145 Y HA 0.098 4.648 4.550 -0.000 0.000 0.333 145 Y C 1.307 177.268 175.900 0.103 0.000 1.186 145 Y CA 0.285 58.467 58.100 0.137 0.000 1.381 145 Y CB 0.819 39.365 38.460 0.143 0.000 1.273 145 Y HN 0.077 nan 8.280 nan 0.000 0.546 146 T N -1.720 113.005 114.554 0.285 0.000 2.916 146 T HA 0.560 4.909 4.350 -0.000 0.000 0.292 146 T C -0.622 174.253 174.700 0.291 0.000 1.064 146 T CA -0.910 61.304 62.100 0.191 0.000 1.011 146 T CB 0.930 69.905 68.868 0.179 0.000 1.152 146 T HN 0.516 nan 8.240 nan 0.000 0.510 147 F N -0.457 119.518 119.950 0.042 0.000 3.080 147 F HA -0.188 4.339 4.527 -0.000 0.000 0.292 147 F C 0.809 176.608 175.800 -0.002 0.000 0.891 147 F CA 0.495 58.505 58.000 0.017 0.000 1.086 147 F CB -2.334 36.677 39.000 0.019 0.000 1.095 147 F HN 1.056 nan 8.300 nan 0.000 0.633 148 C N -2.321 117.012 119.300 0.056 0.000 2.973 148 C HA 0.952 5.412 4.460 -0.000 0.000 0.329 148 C C 0.623 175.574 174.990 -0.066 0.000 1.327 148 C CA -0.215 58.801 59.018 -0.003 0.000 1.632 148 C CB 1.187 28.904 27.740 -0.038 0.000 2.098 148 C HN 0.571 nan 8.230 nan 0.000 0.469 149 T N -1.544 112.959 114.554 -0.085 0.000 2.934 149 T HA 0.684 5.034 4.350 -0.000 0.000 0.283 149 T C -2.822 171.780 174.700 -0.164 0.000 1.005 149 T CA -1.258 60.773 62.100 -0.115 0.000 1.041 149 T CB 0.451 69.272 68.868 -0.079 0.000 1.042 149 T HN 0.681 nan 8.240 nan 0.000 0.505 150 P HA 0.176 nan 4.420 nan 0.000 0.266 150 P C 1.231 178.365 177.300 -0.276 0.000 1.195 150 P CA -0.042 62.912 63.100 -0.244 0.000 0.768 150 P CB 0.091 31.549 31.700 -0.402 0.000 0.838 151 G N 1.724 110.430 108.800 -0.158 0.000 2.535 151 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.218 151 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.218 151 G C 1.044 175.876 174.900 -0.114 0.000 1.122 151 G CA 0.792 45.816 45.100 -0.127 0.000 0.769 151 G HN 0.738 nan 8.290 nan 0.000 0.549 152 H N -1.810 117.235 119.070 -0.041 0.000 2.495 152 H HA 0.244 4.800 4.556 -0.000 0.000 0.287 152 H C 1.368 176.731 175.328 0.058 0.000 1.033 152 H CA 0.471 56.509 56.048 -0.017 0.000 1.307 152 H CB -0.389 29.432 29.762 0.099 0.000 1.401 152 H HN 0.220 nan 8.280 nan 0.000 0.555 153 M N 0.633 120.127 119.600 -0.177 0.000 2.981 153 M HA -0.171 4.308 4.480 -0.000 0.000 0.176 153 M C 0.887 177.276 176.300 0.149 0.000 1.201 153 M CA 0.836 56.112 55.300 -0.039 0.000 0.743 153 M CB -1.664 30.912 32.600 -0.040 0.000 1.223 153 M HN 0.919 nan 8.290 nan 0.000 0.747 154 G N -0.360 108.569 108.800 0.215 0.000 2.283 154 G HA2 0.019 3.979 3.960 -0.000 0.000 0.280 154 G HA3 0.019 3.979 3.960 -0.000 0.000 0.280 154 G C 1.080 176.275 174.900 0.491 0.000 1.029 154 G CA 1.092 46.396 45.100 0.341 0.000 0.840 154 G HN 2.164 nan 8.290 nan 0.000 0.505 155 G N -2.656 106.608 108.800 0.774 0.000 2.195 155 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.246 155 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.246 155 G C 1.406 176.613 174.900 0.512 0.000 0.984 155 G CA 1.436 46.984 45.100 0.747 0.000 0.633 155 G HN 1.439 nan 8.290 nan 0.000 0.525 156 T N 1.139 115.877 114.554 0.306 0.000 2.624 156 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 156 T C 2.789 177.527 174.700 0.065 0.000 1.041 156 T CA 2.987 65.150 62.100 0.104 0.000 1.159 156 T CB -0.530 68.374 68.868 0.059 0.000 0.863 156 T HN 1.343 nan 8.240 nan 0.000 0.434 157 A N 0.462 123.323 122.820 0.068 0.000 1.940 157 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 157 A C 2.002 179.531 177.584 -0.091 0.000 1.176 157 A CA 1.392 53.389 52.037 -0.067 0.000 0.631 157 A CB -1.032 17.871 19.000 -0.161 0.000 0.814 157 A HN 0.527 nan 8.150 nan 0.000 0.446 158 F N 0.129 120.107 119.950 0.048 0.000 2.216 158 F HA -0.189 4.338 4.527 -0.000 0.000 0.300 158 F C 2.679 178.477 175.800 -0.003 0.000 1.085 158 F CA 1.728 59.763 58.000 0.058 0.000 1.326 158 F CB -0.198 38.920 39.000 0.196 0.000 1.027 158 F HN 0.300 nan 8.300 nan 0.000 0.497 159 Q N -0.361 119.479 119.800 0.066 0.000 2.435 159 Q HA -0.128 4.212 4.340 -0.000 0.000 0.207 159 Q C 1.444 177.428 176.000 -0.028 0.000 0.956 159 Q CA 0.721 56.483 55.803 -0.069 0.000 0.917 159 Q CB -0.099 28.489 28.738 -0.251 0.000 0.997 159 Q HN 0.228 nan 8.270 nan 0.000 0.497 160 K N 0.161 120.552 120.400 -0.015 0.000 2.404 160 K HA 0.097 4.417 4.320 -0.000 0.000 0.194 160 K C -0.103 176.492 176.600 -0.008 0.000 1.023 160 K CA -0.080 56.194 56.287 -0.021 0.000 1.094 160 K CB 0.791 33.269 32.500 -0.036 0.000 0.841 160 K HN -0.092 nan 8.250 nan 0.000 0.523 161 S N -0.351 115.359 115.700 0.016 0.000 2.532 161 S HA 0.368 4.838 4.470 -0.000 0.000 0.299 161 S C -2.258 172.375 174.600 0.055 0.000 1.105 161 S CA -1.986 56.229 58.200 0.024 0.000 1.018 161 S CB 1.209 64.421 63.200 0.019 0.000 1.021 161 S HN -0.178 nan 8.310 nan 0.000 0.483 162 P HA -0.126 nan 4.420 nan 0.000 0.214 162 P C 1.537 178.889 177.300 0.086 0.000 1.163 162 P CA 0.810 63.943 63.100 0.055 0.000 0.889 162 P CB 0.062 31.785 31.700 0.037 0.000 0.790 163 V N -0.295 119.671 119.914 0.086 0.000 2.453 163 V HA -0.102 4.018 4.120 -0.000 0.000 0.247 163 V C 2.260 178.475 176.094 0.201 0.000 1.048 163 V CA 2.531 64.901 62.300 0.118 0.000 1.049 163 V CB -1.525 30.349 31.823 0.084 0.000 0.672 163 V HN 0.158 nan 8.190 nan 0.000 0.457 164 G N -0.209 108.716 108.800 0.209 0.000 2.442 164 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.219 164 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.219 164 G C 1.865 177.017 174.900 0.420 0.000 1.141 164 G CA 1.484 46.817 45.100 0.389 0.000 0.763 164 G HN 0.732 nan 8.290 nan 0.000 0.554 165 S N 0.431 116.284 115.700 0.255 0.000 2.399 165 S HA 0.009 4.478 4.470 -0.000 0.000 0.231 165 S C 2.346 177.096 174.600 0.250 0.000 1.022 165 S CA 1.117 59.448 58.200 0.218 0.000 0.983 165 S CB -0.346 62.922 63.200 0.115 0.000 0.803 165 S HN 0.305 nan 8.310 nan 0.000 0.480 166 L N -0.656 120.703 121.223 0.226 0.000 2.056 166 L HA 0.064 4.403 4.340 -0.000 0.000 0.207 166 L C 2.483 179.492 176.870 0.232 0.000 1.078 166 L CA 1.550 56.504 54.840 0.190 0.000 0.749 166 L CB -0.562 41.584 42.059 0.145 0.000 0.901 166 L HN 0.291 nan 8.230 nan 0.000 0.433 167 F N -0.390 119.646 119.950 0.144 0.000 2.075 167 F HA -0.312 4.215 4.527 -0.000 0.000 0.297 167 F C 2.602 178.485 175.800 0.137 0.000 1.113 167 F CA 1.597 59.677 58.000 0.133 0.000 1.218 167 F CB -0.386 38.680 39.000 0.109 0.000 0.984 167 F HN -0.026 nan 8.300 nan 0.000 0.472 168 Y N 1.212 121.599 120.300 0.145 0.000 2.128 168 Y HA -0.292 4.258 4.550 -0.000 0.000 0.284 168 Y C 2.212 178.127 175.900 0.024 0.000 1.154 168 Y CA 2.249 60.359 58.100 0.016 0.000 1.149 168 Y CB -0.683 37.826 38.460 0.082 0.000 0.976 168 Y HN 0.064 nan 8.280 nan 0.000 0.505 169 D N -0.550 120.003 120.400 0.256 0.000 2.178 169 D HA -0.181 4.459 4.640 -0.000 0.000 0.202 169 D C 1.953 178.233 176.300 -0.033 0.000 0.974 169 D CA 1.167 55.245 54.000 0.130 0.000 0.841 169 D CB -0.670 40.220 40.800 0.150 0.000 0.953 169 D HN 0.426 nan 8.370 nan 0.000 0.478 170 F N 0.325 120.143 119.950 -0.219 0.000 2.075 170 F HA -0.184 4.343 4.527 -0.000 0.000 0.297 170 F C 1.938 177.406 175.800 -0.553 0.000 1.113 170 F CA 1.422 59.166 58.000 -0.427 0.000 1.218 170 F CB -0.296 38.338 39.000 -0.610 0.000 0.984 170 F HN -0.166 nan 8.300 nan 0.000 0.472 171 F N 0.697 120.486 119.950 -0.270 0.000 2.293 171 F HA 0.270 4.797 4.527 -0.000 0.000 0.297 171 F C 1.476 177.042 175.800 -0.391 0.000 1.089 171 F CA 1.026 58.804 58.000 -0.370 0.000 1.377 171 F CB -0.908 37.859 39.000 -0.388 0.000 1.051 171 F HN 0.191 nan 8.300 nan 0.000 0.511 172 G N -0.147 108.471 108.800 -0.304 0.000 2.699 172 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.686 172 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.686 172 G C -2.171 172.443 174.900 -0.477 0.000 1.301 172 G CA -0.662 44.219 45.100 -0.364 0.000 0.816 172 G HN -0.028 nan 8.290 nan 0.000 0.595 173 P HA -0.107 nan 4.420 nan 0.000 0.215 173 P C 1.597 178.809 177.300 -0.147 0.000 1.157 173 P CA 1.852 64.796 63.100 -0.260 0.000 0.868 173 P CB -0.120 31.560 31.700 -0.034 0.000 0.788 174 N N -1.283 117.341 118.700 -0.126 0.000 2.120 174 N HA -0.113 4.627 4.740 -0.000 0.000 0.188 174 N C 1.631 177.106 175.510 -0.059 0.000 1.024 174 N CA 1.536 54.532 53.050 -0.090 0.000 0.852 174 N CB -0.542 37.864 38.487 -0.134 0.000 1.003 174 N HN 0.127 nan 8.380 nan 0.000 0.424 175 T N 1.238 115.742 114.554 -0.083 0.000 2.746 175 T HA -0.094 4.255 4.350 -0.000 0.000 0.267 175 T C 1.907 176.557 174.700 -0.082 0.000 1.039 175 T CA 0.988 63.052 62.100 -0.060 0.000 1.142 175 T CB -0.060 68.779 68.868 -0.049 0.000 0.866 175 T HN 0.176 nan 8.240 nan 0.000 0.444 176 M N 1.330 120.849 119.600 -0.135 0.000 2.086 176 M HA 0.005 4.485 4.480 -0.000 0.000 0.261 176 M C 2.082 178.464 176.300 0.137 0.000 1.067 176 M CA 1.583 56.840 55.300 -0.070 0.000 1.116 176 M CB -1.078 31.433 32.600 -0.149 0.000 1.348 176 M HN 0.219 nan 8.290 nan 0.000 0.407 177 K N 0.506 120.973 120.400 0.111 0.000 2.211 177 K HA -0.050 4.270 4.320 -0.000 0.000 0.203 177 K C 1.888 178.587 176.600 0.165 0.000 1.050 177 K CA 1.552 57.935 56.287 0.159 0.000 0.945 177 K CB -0.272 32.289 32.500 0.103 0.000 0.732 177 K HN 0.424 nan 8.250 nan 0.000 0.451 178 S N 0.572 116.342 115.700 0.117 0.000 2.603 178 S HA -0.058 4.412 4.470 -0.000 0.000 0.220 178 S C 0.332 174.953 174.600 0.034 0.000 0.967 178 S CA 0.083 58.360 58.200 0.128 0.000 0.920 178 S CB -0.049 63.248 63.200 0.162 0.000 0.773 178 S HN 0.070 nan 8.310 nan 0.000 0.529 179 D N 2.156 122.573 120.400 0.029 0.000 2.468 179 D HA 0.426 5.066 4.640 -0.000 0.000 0.218 179 D C 0.086 176.336 176.300 -0.085 0.000 1.155 179 D CA -0.577 53.404 54.000 -0.032 0.000 0.924 179 D CB -0.070 40.803 40.800 0.122 0.000 1.029 179 D HN 0.617 nan 8.370 nan 0.000 0.515 180 I N -0.618 119.770 120.570 -0.303 0.000 3.445 180 I HA 0.741 4.911 4.170 -0.000 0.000 0.303 180 I C -0.214 175.551 176.117 -0.587 0.000 1.129 180 I CA -1.017 60.007 61.300 -0.461 0.000 0.989 180 I CB 1.827 39.455 38.000 -0.620 0.000 1.314 180 I HN 0.234 nan 8.210 nan 0.000 0.488 181 S N 0.133 115.521 115.700 -0.521 0.000 2.806 181 S HA 0.470 4.940 4.470 -0.000 0.000 0.306 181 S C 0.767 175.237 174.600 -0.217 0.000 1.167 181 S CA -0.500 57.541 58.200 -0.266 0.000 0.847 181 S CB 1.176 64.290 63.200 -0.143 0.000 1.216 181 S HN 0.904 nan 8.310 nan 0.000 0.532 182 I N -0.644 119.908 120.570 -0.031 0.000 3.010 182 I HA -0.023 4.146 4.170 -0.000 0.000 0.271 182 I C 1.727 177.752 176.117 -0.153 0.000 1.293 182 I CA 0.975 62.256 61.300 -0.031 0.000 1.452 182 I CB -0.825 37.163 38.000 -0.020 0.000 1.082 182 I HN 0.472 nan 8.210 nan 0.000 0.484 183 S N 0.979 116.542 115.700 -0.228 0.000 2.419 183 S HA -0.029 4.441 4.470 -0.000 0.000 0.235 183 S C 1.119 175.347 174.600 -0.619 0.000 1.019 183 S CA 0.747 58.739 58.200 -0.346 0.000 0.982 183 S CB -0.337 62.678 63.200 -0.310 0.000 0.789 183 S HN 0.360 nan 8.310 nan 0.000 0.490 184 V N 3.403 122.976 119.914 -0.567 0.000 2.326 184 V HA 0.088 4.208 4.120 -0.000 0.000 0.249 184 V C 1.348 177.286 176.094 -0.260 0.000 1.114 184 V CA 0.116 62.062 62.300 -0.591 0.000 1.028 184 V CB 0.155 31.565 31.823 -0.689 0.000 1.170 184 V HN 0.532 nan 8.190 nan 0.000 0.494 185 S N 3.247 118.835 115.700 -0.188 0.000 2.402 185 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 185 S C 1.637 176.258 174.600 0.035 0.000 1.021 185 S CA 1.000 59.173 58.200 -0.046 0.000 0.974 185 S CB -0.176 63.019 63.200 -0.009 0.000 0.800 185 S HN 0.844 nan 8.310 nan 0.000 0.484 186 E N 1.163 121.412 120.200 0.082 0.000 2.409 186 E HA -0.074 4.276 4.350 -0.000 0.000 0.198 186 E C 1.376 178.030 176.600 0.089 0.000 1.024 186 E CA 0.556 57.016 56.400 0.099 0.000 0.861 186 E CB -0.451 29.332 29.700 0.139 0.000 0.788 186 E HN 0.501 nan 8.360 nan 0.000 0.521 187 L N 0.445 121.722 121.223 0.089 0.000 2.592 187 L HA 0.227 4.567 4.340 -0.000 0.000 0.227 187 L C 1.296 178.318 176.870 0.254 0.000 1.127 187 L CA 0.926 55.858 54.840 0.152 0.000 0.884 187 L CB 0.035 42.227 42.059 0.222 0.000 1.065 187 L HN 0.378 nan 8.230 nan 0.000 0.457 188 G N -0.351 108.550 108.800 0.168 0.000 2.539 188 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.256 188 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.256 188 G C -0.105 174.834 174.900 0.065 0.000 1.233 188 G CA -0.070 45.111 45.100 0.136 0.000 0.936 188 G HN 0.504 nan 8.290 nan 0.000 0.571 189 S N -1.684 113.932 115.700 -0.139 0.000 2.546 189 S HA 0.552 5.022 4.470 -0.000 0.000 0.272 189 S C 0.710 174.821 174.600 -0.814 0.000 1.140 189 S CA 0.518 58.453 58.200 -0.443 0.000 0.920 189 S CB 1.635 64.710 63.200 -0.207 0.000 1.083 189 S HN 1.927 nan 8.310 nan 0.000 0.476 190 L N 4.584 125.149 121.223 -1.098 0.000 2.027 190 L HA 0.173 4.513 4.340 -0.000 0.000 0.206 190 L C 1.667 178.234 176.870 -0.505 0.000 1.074 190 L CA 1.869 56.293 54.840 -0.694 0.000 0.745 190 L CB -0.680 41.151 42.059 -0.381 0.000 0.898 190 L HN 0.773 nan 8.230 nan 0.000 0.433 191 L N -0.370 120.650 121.223 -0.339 0.000 2.141 191 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 191 L C 1.875 178.542 176.870 -0.339 0.000 1.094 191 L CA 1.454 56.160 54.840 -0.224 0.000 0.763 191 L CB -1.142 40.866 42.059 -0.085 0.000 0.908 191 L HN 0.331 nan 8.230 nan 0.000 0.437 192 D N -1.811 118.415 120.400 -0.289 0.000 2.349 192 D HA -0.027 4.613 4.640 -0.000 0.000 0.215 192 D C 0.174 176.416 176.300 -0.098 0.000 1.016 192 D CA 0.150 54.068 54.000 -0.138 0.000 0.870 192 D CB -0.074 40.681 40.800 -0.075 0.000 0.917 192 D HN 0.343 nan 8.370 nan 0.000 0.524 193 H N -0.051 118.988 119.070 -0.053 0.000 2.677 193 H HA -0.130 4.426 4.556 -0.000 0.000 0.321 193 H C -0.037 175.280 175.328 -0.018 0.000 1.171 193 H CA 0.910 56.927 56.048 -0.052 0.000 1.139 193 H CB -2.264 27.439 29.762 -0.098 0.000 1.515 193 H HN 0.224 nan 8.280 nan 0.000 0.423 194 S N -1.795 113.928 115.700 0.039 0.000 2.638 194 S HA 0.772 5.242 4.470 -0.000 0.000 0.302 194 S C 1.033 175.685 174.600 0.088 0.000 1.096 194 S CA 0.204 58.436 58.200 0.052 0.000 0.953 194 S CB 3.445 66.656 63.200 0.020 0.000 1.107 194 S HN 1.068 nan 8.310 nan 0.000 0.503 195 G N 1.986 110.828 108.800 0.070 0.000 2.596 195 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.295 195 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.295 195 G C -1.820 173.121 174.900 0.069 0.000 1.240 195 G CA 0.259 45.403 45.100 0.072 0.000 0.985 195 G HN 0.680 nan 8.290 nan 0.000 0.555 196 P HA -0.064 nan 4.420 nan 0.000 0.218 196 P C 1.500 178.766 177.300 -0.056 0.000 1.146 196 P CA 1.791 64.881 63.100 -0.017 0.000 0.813 196 P CB -0.224 31.446 31.700 -0.051 0.000 0.778 197 H N -0.761 118.292 119.070 -0.029 0.000 2.389 197 H HA -0.076 4.480 4.556 -0.000 0.000 0.299 197 H C 2.059 177.378 175.328 -0.016 0.000 1.081 197 H CA 1.312 57.335 56.048 -0.041 0.000 1.345 197 H CB -0.090 29.632 29.762 -0.066 0.000 1.393 197 H HN 0.194 nan 8.280 nan 0.000 0.520 198 K N 1.340 121.812 120.400 0.120 0.000 2.057 198 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 198 K C 1.861 178.481 176.600 0.034 0.000 1.049 198 K CA 1.360 57.685 56.287 0.064 0.000 0.931 198 K CB 0.146 32.677 32.500 0.051 0.000 0.714 198 K HN 0.352 nan 8.250 nan 0.000 0.440 199 E N 0.038 120.256 120.200 0.029 0.000 2.110 199 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 199 E C 1.983 178.608 176.600 0.041 0.000 0.988 199 E CA 0.975 57.394 56.400 0.031 0.000 0.804 199 E CB -0.112 29.595 29.700 0.012 0.000 0.745 199 E HN 0.419 nan 8.360 nan 0.000 0.458 200 A N 1.689 124.499 122.820 -0.017 0.000 1.865 200 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 200 A C 1.961 179.581 177.584 0.061 0.000 1.191 200 A CA 1.668 53.685 52.037 -0.034 0.000 0.623 200 A CB -0.505 18.424 19.000 -0.117 0.000 0.826 200 A HN 0.171 nan 8.150 nan 0.000 0.444 201 E N -0.404 119.814 120.200 0.030 0.000 2.085 201 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 201 E C 2.310 178.923 176.600 0.023 0.000 0.994 201 E CA 1.549 57.948 56.400 -0.002 0.000 0.801 201 E CB -0.216 29.430 29.700 -0.090 0.000 0.743 201 E HN 0.752 nan 8.360 nan 0.000 0.453 202 Q N -0.414 119.408 119.800 0.038 0.000 2.123 202 Q HA -0.175 4.164 4.340 -0.000 0.000 0.199 202 Q C 1.931 177.994 176.000 0.106 0.000 0.966 202 Q CA 1.153 56.982 55.803 0.043 0.000 0.845 202 Q CB -0.206 28.548 28.738 0.027 0.000 0.907 202 Q HN 0.347 nan 8.270 nan 0.000 0.439 203 Y N 1.309 121.618 120.300 0.014 0.000 2.128 203 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 203 Y C 1.885 177.842 175.900 0.095 0.000 1.154 203 Y CA 1.458 59.581 58.100 0.038 0.000 1.149 203 Y CB -0.105 38.368 38.460 0.021 0.000 0.976 203 Y HN 0.007 nan 8.280 nan 0.000 0.505 204 I N -0.217 120.573 120.570 0.367 0.000 2.179 204 I HA -0.331 3.839 4.170 -0.000 0.000 0.242 204 I C 2.650 178.966 176.117 0.331 0.000 1.088 204 I CA 1.257 62.784 61.300 0.379 0.000 1.357 204 I CB -0.726 37.414 38.000 0.234 0.000 1.051 204 I HN 0.315 nan 8.210 nan 0.000 0.409 205 A N 0.626 123.555 122.820 0.181 0.000 1.933 205 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 205 A C 2.432 180.062 177.584 0.076 0.000 1.175 205 A CA 1.831 53.941 52.037 0.123 0.000 0.628 205 A CB -0.658 18.365 19.000 0.039 0.000 0.814 205 A HN 0.375 nan 8.150 nan 0.000 0.444 206 R N -0.458 120.063 120.500 0.036 0.000 2.075 206 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 206 R C 1.839 178.124 176.300 -0.025 0.000 1.126 206 R CA 1.740 57.823 56.100 -0.028 0.000 0.963 206 R CB -0.351 29.895 30.300 -0.090 0.000 0.858 206 R HN 0.292 nan 8.270 nan 0.000 0.435 207 V N 0.254 120.178 119.914 0.018 0.000 2.427 207 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 207 V C 1.360 177.445 176.094 -0.016 0.000 1.051 207 V CA 1.472 63.780 62.300 0.013 0.000 1.048 207 V CB -0.364 31.485 31.823 0.044 0.000 0.666 207 V HN 0.253 nan 8.190 nan 0.000 0.456 208 F N -0.166 119.768 119.950 -0.026 0.000 2.693 208 F HA 0.309 4.836 4.527 -0.000 0.000 0.303 208 F C 1.240 176.841 175.800 -0.332 0.000 1.097 208 F CA 0.141 58.001 58.000 -0.234 0.000 1.330 208 F CB -0.418 38.296 39.000 -0.476 0.000 1.067 208 F HN 0.248 nan 8.300 nan 0.000 0.565 209 N N 0.477 119.125 118.700 -0.087 0.000 2.780 209 N HA -0.197 4.543 4.740 -0.000 0.000 0.248 209 N C -0.615 174.846 175.510 -0.082 0.000 1.102 209 N CA 0.610 53.599 53.050 -0.101 0.000 0.697 209 N CB -1.023 37.378 38.487 -0.144 0.000 1.028 209 N HN 0.295 nan 8.380 nan 0.000 0.554 210 A N -0.699 122.091 122.820 -0.049 0.000 2.311 210 A HA 0.580 4.899 4.320 -0.000 0.000 0.334 210 A C 0.887 178.460 177.584 -0.018 0.000 1.139 210 A CA -0.224 51.805 52.037 -0.014 0.000 0.830 210 A CB 0.761 19.805 19.000 0.072 0.000 1.234 210 A HN 0.212 nan 8.150 nan 0.000 0.483 211 D N 0.223 120.604 120.400 -0.033 0.000 2.144 211 D HA -0.019 4.621 4.640 -0.000 0.000 0.200 211 D C 0.676 176.936 176.300 -0.066 0.000 0.978 211 D CA 1.456 55.424 54.000 -0.052 0.000 0.833 211 D CB 0.125 40.884 40.800 -0.069 0.000 0.961 211 D HN 0.678 nan 8.370 nan 0.000 0.470 212 R N -1.140 119.319 120.500 -0.068 0.000 2.643 212 R HA 0.633 4.973 4.340 -0.000 0.000 0.269 212 R C -1.377 174.876 176.300 -0.078 0.000 1.037 212 R CA -0.700 55.321 56.100 -0.132 0.000 0.894 212 R CB 1.421 31.579 30.300 -0.237 0.000 1.238 212 R HN -0.270 nan 8.270 nan 0.000 0.459 213 S N 0.948 116.555 115.700 -0.156 0.000 2.542 213 S HA 0.602 5.072 4.470 -0.000 0.000 0.293 213 S C -1.609 172.800 174.600 -0.317 0.000 1.089 213 S CA -0.548 57.615 58.200 -0.062 0.000 0.961 213 S CB 1.074 64.336 63.200 0.104 0.000 1.062 213 S HN 0.465 nan 8.310 nan 0.000 0.483 214 Y N 1.136 121.374 120.300 -0.102 0.000 2.409 214 Y HA 0.530 5.079 4.550 -0.000 0.000 0.343 214 Y C 0.094 176.002 175.900 0.013 0.000 0.973 214 Y CA -0.855 57.205 58.100 -0.068 0.000 1.064 214 Y CB 1.308 39.752 38.460 -0.026 0.000 1.207 214 Y HN 0.435 nan 8.280 nan 0.000 0.452 215 M N 3.795 123.532 119.600 0.229 0.000 2.157 215 M HA 0.511 4.991 4.480 -0.000 0.000 0.354 215 M C -1.119 175.369 176.300 0.313 0.000 1.170 215 M CA -0.671 54.745 55.300 0.195 0.000 1.060 215 M CB 1.006 33.690 32.600 0.140 0.000 1.615 215 M HN 0.278 nan 8.290 nan 0.000 0.460 216 V N 2.313 122.343 119.914 0.194 0.000 2.555 216 V HA 0.402 4.522 4.120 -0.000 0.000 0.302 216 V C 0.688 176.828 176.094 0.076 0.000 1.038 216 V CA -0.462 61.922 62.300 0.141 0.000 0.887 216 V CB 1.964 33.839 31.823 0.086 0.000 0.991 216 V HN 0.965 nan 8.190 nan 0.000 0.434 217 T N -0.719 113.858 114.554 0.038 0.000 3.174 217 T HA 0.196 4.546 4.350 -0.000 0.000 0.269 217 T C 0.464 175.165 174.700 0.001 0.000 1.017 217 T CA -0.113 62.008 62.100 0.036 0.000 0.899 217 T CB -0.383 68.517 68.868 0.054 0.000 1.077 217 T HN 0.437 nan 8.240 nan 0.000 0.552 218 N N 1.085 119.778 118.700 -0.012 0.000 2.497 218 N HA 0.441 5.181 4.740 -0.000 0.000 0.284 218 N C 0.499 176.001 175.510 -0.013 0.000 1.459 218 N CA 0.691 53.728 53.050 -0.022 0.000 0.899 218 N CB 0.515 38.986 38.487 -0.026 0.000 1.316 218 N HN 0.709 nan 8.380 nan 0.000 0.500 219 G N -0.513 108.290 108.800 0.006 0.000 2.829 219 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.628 219 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.628 219 G C 0.700 175.602 174.900 0.003 0.000 1.412 219 G CA -0.084 45.040 45.100 0.039 0.000 0.864 219 G HN 0.152 nan 8.290 nan 0.000 0.544 220 T N 0.800 115.341 114.554 -0.022 0.000 2.962 220 T HA -0.025 4.324 4.350 -0.000 0.000 0.270 220 T C 2.752 177.403 174.700 -0.081 0.000 1.088 220 T CA 1.923 63.972 62.100 -0.084 0.000 1.127 220 T CB -0.271 68.495 68.868 -0.170 0.000 0.883 220 T HN 0.684 nan 8.240 nan 0.000 0.493 221 S N 1.293 116.959 115.700 -0.057 0.000 2.372 221 S HA -0.164 4.306 4.470 -0.000 0.000 0.227 221 S C 2.313 176.904 174.600 -0.014 0.000 1.044 221 S CA 1.765 59.982 58.200 0.027 0.000 1.050 221 S CB -0.564 62.695 63.200 0.098 0.000 0.901 221 S HN 0.565 nan 8.310 nan 0.000 0.447 222 T N 1.772 116.295 114.554 -0.052 0.000 2.894 222 T HA 0.169 4.519 4.350 -0.000 0.000 0.258 222 T C 2.195 176.789 174.700 -0.176 0.000 1.043 222 T CA 0.886 62.910 62.100 -0.126 0.000 1.141 222 T CB -0.462 68.357 68.868 -0.083 0.000 0.873 222 T HN 0.429 nan 8.240 nan 0.000 0.449 223 A N 2.297 125.053 122.820 -0.107 0.000 1.917 223 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 223 A C 2.099 179.594 177.584 -0.149 0.000 1.182 223 A CA 2.033 54.007 52.037 -0.106 0.000 0.633 223 A CB -0.996 17.969 19.000 -0.057 0.000 0.819 223 A HN 0.620 nan 8.150 nan 0.000 0.448 224 N N -0.676 117.974 118.700 -0.083 0.000 2.120 224 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 224 N C 1.718 177.162 175.510 -0.111 0.000 1.024 224 N CA 1.463 54.511 53.050 -0.002 0.000 0.852 224 N CB -0.140 38.401 38.487 0.090 0.000 1.003 224 N HN 0.519 nan 8.380 nan 0.000 0.424 225 K N 0.559 120.831 120.400 -0.214 0.000 2.155 225 K HA 0.006 4.326 4.320 -0.000 0.000 0.203 225 K C 1.899 178.219 176.600 -0.467 0.000 1.052 225 K CA 0.636 56.713 56.287 -0.349 0.000 0.948 225 K CB 0.024 32.205 32.500 -0.531 0.000 0.728 225 K HN 0.194 nan 8.250 nan 0.000 0.448 226 I N 0.762 121.037 120.570 -0.491 0.000 2.142 226 I HA -0.291 3.879 4.170 -0.000 0.000 0.240 226 I C 2.260 178.095 176.117 -0.469 0.000 1.078 226 I CA 1.150 62.201 61.300 -0.415 0.000 1.343 226 I CB -0.306 37.486 38.000 -0.347 0.000 1.046 226 I HN -0.096 nan 8.210 nan 0.000 0.405 227 V N 0.976 120.623 119.914 -0.444 0.000 2.295 227 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 227 V C 2.586 178.429 176.094 -0.418 0.000 1.049 227 V CA 2.271 64.254 62.300 -0.528 0.000 1.024 227 V CB -1.486 29.851 31.823 -0.810 0.000 0.648 227 V HN 0.594 nan 8.190 nan 0.000 0.447 228 G N -0.890 107.741 108.800 -0.282 0.000 2.446 228 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 228 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 228 G C 1.621 176.378 174.900 -0.238 0.000 1.168 228 G CA 1.161 46.131 45.100 -0.217 0.000 0.771 228 G HN 0.415 nan 8.290 nan 0.000 0.551 229 M N -0.950 118.542 119.600 -0.180 0.000 2.200 229 M HA 0.034 4.514 4.480 -0.000 0.000 0.265 229 M C 2.373 178.594 176.300 -0.131 0.000 1.066 229 M CA 1.015 56.244 55.300 -0.117 0.000 1.127 229 M CB -0.299 32.289 32.600 -0.020 0.000 1.379 229 M HN 0.404 nan 8.290 nan 0.000 0.420 230 Y N 0.480 120.601 120.300 -0.298 0.000 2.224 230 Y HA -0.205 4.345 4.550 -0.000 0.000 0.289 230 Y C 2.181 177.972 175.900 -0.182 0.000 1.146 230 Y CA 1.824 59.775 58.100 -0.249 0.000 1.182 230 Y CB 0.034 38.284 38.460 -0.351 0.000 0.983 230 Y HN 0.098 nan 8.280 nan 0.000 0.524 231 S N -0.487 115.022 115.700 -0.319 0.000 2.503 231 S HA 0.352 4.822 4.470 -0.000 0.000 0.217 231 S C 0.585 174.978 174.600 -0.344 0.000 0.999 231 S CA 0.303 58.251 58.200 -0.420 0.000 0.914 231 S CB 0.308 63.024 63.200 -0.805 0.000 0.782 231 S HN 0.435 nan 8.310 nan 0.000 0.520 232 A N 2.723 125.372 122.820 -0.285 0.000 2.763 232 A HA 0.635 4.955 4.320 -0.000 0.000 0.325 232 A C -2.971 174.521 177.584 -0.154 0.000 1.209 232 A CA -1.519 50.412 52.037 -0.177 0.000 0.764 232 A CB 0.340 19.264 19.000 -0.128 0.000 1.120 232 A HN 0.073 nan 8.150 nan 0.000 0.463 233 P HA 0.329 nan 4.420 nan 0.000 0.271 233 P C 0.457 177.682 177.300 -0.125 0.000 1.233 233 P CA -0.093 62.930 63.100 -0.128 0.000 0.789 233 P CB 0.628 32.260 31.700 -0.113 0.000 0.951 234 A N 1.423 124.165 122.820 -0.129 0.000 2.565 234 A HA 0.374 4.694 4.320 -0.000 0.000 0.237 234 A C 1.542 179.055 177.584 -0.119 0.000 1.053 234 A CA 0.852 52.797 52.037 -0.154 0.000 0.755 234 A CB -1.525 17.389 19.000 -0.143 0.000 0.980 234 A HN 0.914 nan 8.150 nan 0.000 0.506 235 G N 1.087 109.812 108.800 -0.126 0.000 2.179 235 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.260 235 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.260 235 G C 0.643 175.497 174.900 -0.078 0.000 0.977 235 G CA 1.108 46.156 45.100 -0.086 0.000 0.641 235 G HN 2.205 nan 8.290 nan 0.000 0.533 236 S N -0.604 115.042 115.700 -0.091 0.000 2.669 236 S HA 0.751 5.221 4.470 -0.000 0.000 0.270 236 S C 0.063 174.602 174.600 -0.102 0.000 1.225 236 S CA 0.494 58.645 58.200 -0.082 0.000 0.991 236 S CB 1.997 65.150 63.200 -0.079 0.000 0.987 236 S HN 0.553 nan 8.310 nan 0.000 0.552 237 T N 1.584 116.068 114.554 -0.116 0.000 2.855 237 T HA 0.631 4.981 4.350 -0.000 0.000 0.281 237 T C -0.125 174.461 174.700 -0.189 0.000 1.007 237 T CA -0.594 61.407 62.100 -0.165 0.000 1.009 237 T CB 0.510 69.263 68.868 -0.192 0.000 0.983 237 T HN 0.732 nan 8.240 nan 0.000 0.455 238 I N 0.072 120.509 120.570 -0.221 0.000 2.689 238 I HA 0.669 4.839 4.170 -0.000 0.000 0.299 238 I C -1.218 174.672 176.117 -0.379 0.000 1.059 238 I CA -1.412 59.754 61.300 -0.224 0.000 1.055 238 I CB 1.571 39.508 38.000 -0.106 0.000 1.243 238 I HN 0.416 nan 8.210 nan 0.000 0.425 239 L N 5.840 126.789 121.223 -0.456 0.000 2.276 239 L HA 0.585 4.924 4.340 -0.000 0.000 0.286 239 L C -0.458 176.058 176.870 -0.591 0.000 1.061 239 L CA -0.423 53.978 54.840 -0.731 0.000 0.807 239 L CB 1.589 43.021 42.059 -1.045 0.000 1.177 239 L HN 0.609 nan 8.230 nan 0.000 0.429 240 I N 2.362 122.597 120.570 -0.558 0.000 2.533 240 I HA 0.290 4.460 4.170 -0.000 0.000 0.290 240 I C -0.539 175.615 176.117 0.061 0.000 1.056 240 I CA -0.608 60.575 61.300 -0.196 0.000 1.057 240 I CB 1.882 39.787 38.000 -0.158 0.000 1.240 240 I HN 0.473 nan 8.210 nan 0.000 0.423 241 D N 5.475 126.023 120.400 0.246 0.000 2.472 241 D HA -0.046 4.593 4.640 -0.000 0.000 0.248 241 D C 1.097 177.559 176.300 0.270 0.000 1.174 241 D CA 0.332 54.519 54.000 0.313 0.000 0.883 241 D CB 1.129 42.065 40.800 0.226 0.000 1.149 241 D HN 0.568 nan 8.370 nan 0.000 0.488 242 R N 3.280 123.941 120.500 0.269 0.000 2.127 242 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 242 R C 0.503 176.866 176.300 0.105 0.000 1.134 242 R CA 0.823 57.011 56.100 0.146 0.000 0.975 242 R CB -0.318 30.014 30.300 0.054 0.000 0.865 242 R HN 0.283 nan 8.270 nan 0.000 0.447 243 N N 0.481 119.263 118.700 0.137 0.000 2.968 243 N HA 0.031 4.771 4.740 -0.000 0.000 0.271 243 N C -1.390 174.207 175.510 0.146 0.000 1.174 243 N CA -0.305 52.821 53.050 0.127 0.000 1.096 243 N CB -0.361 38.210 38.487 0.141 0.000 1.403 243 N HN 0.334 nan 8.380 nan 0.000 0.522 244 C N 1.396 120.769 119.300 0.122 0.000 2.456 244 C HA 0.508 4.968 4.460 -0.000 0.000 0.325 244 C C 0.673 175.730 174.990 0.110 0.000 1.217 244 C CA -1.407 57.685 59.018 0.123 0.000 1.687 244 C CB 0.599 28.407 27.740 0.114 0.000 2.270 244 C HN 0.617 nan 8.230 nan 0.000 0.499 245 H N 1.739 120.828 119.070 0.033 0.000 2.948 245 H HA 0.023 4.578 4.556 -0.000 0.000 0.351 245 H C 1.087 176.396 175.328 -0.031 0.000 1.079 245 H CA 1.002 57.056 56.048 0.010 0.000 1.407 245 H CB 0.882 30.632 29.762 -0.020 0.000 1.373 245 H HN 0.930 nan 8.280 nan 0.000 0.605 246 K N 2.192 122.202 120.400 -0.651 0.000 2.160 246 K HA -0.179 4.140 4.320 -0.000 0.000 0.206 246 K C 2.148 178.464 176.600 -0.473 0.000 1.047 246 K CA 1.820 57.785 56.287 -0.537 0.000 0.930 246 K CB -0.348 31.834 32.500 -0.529 0.000 0.720 246 K HN 0.611 nan 8.250 nan 0.000 0.450 247 S N -0.227 115.419 115.700 -0.089 0.000 2.419 247 S HA -0.121 4.349 4.470 -0.000 0.000 0.233 247 S C 1.926 176.576 174.600 0.083 0.000 1.016 247 S CA 1.132 59.431 58.200 0.164 0.000 0.974 247 S CB -0.444 62.959 63.200 0.337 0.000 0.786 247 S HN 0.317 nan 8.310 nan 0.000 0.492 248 L N 1.006 122.261 121.223 0.054 0.000 2.131 248 L HA -0.012 4.327 4.340 -0.000 0.000 0.206 248 L C 2.895 179.774 176.870 0.015 0.000 1.087 248 L CA 1.279 56.150 54.840 0.052 0.000 0.767 248 L CB -1.045 41.057 42.059 0.072 0.000 0.917 248 L HN 0.314 nan 8.230 nan 0.000 0.441 249 T N -1.663 112.855 114.554 -0.061 0.000 2.720 249 T HA -0.227 4.122 4.350 -0.000 0.000 0.268 249 T C 1.689 176.358 174.700 -0.052 0.000 1.037 249 T CA 1.599 63.653 62.100 -0.076 0.000 1.144 249 T CB -0.394 68.374 68.868 -0.166 0.000 0.864 249 T HN 0.467 nan 8.240 nan 0.000 0.444 250 H N 0.172 119.222 119.070 -0.033 0.000 2.353 250 H HA -0.008 4.548 4.556 -0.000 0.000 0.300 250 H C 2.273 177.580 175.328 -0.036 0.000 1.090 250 H CA 1.016 57.022 56.048 -0.070 0.000 1.327 250 H CB -0.197 29.528 29.762 -0.061 0.000 1.383 250 H HN 0.098 nan 8.280 nan 0.000 0.508 251 L N 0.673 121.966 121.223 0.116 0.000 2.013 251 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 251 L C 2.128 179.040 176.870 0.069 0.000 1.073 251 L CA 1.722 56.603 54.840 0.067 0.000 0.753 251 L CB -0.474 41.610 42.059 0.042 0.000 0.890 251 L HN 0.294 nan 8.230 nan 0.000 0.432 252 M N -1.719 117.921 119.600 0.066 0.000 2.213 252 M HA -0.242 4.238 4.480 -0.000 0.000 0.263 252 M C 2.202 178.593 176.300 0.152 0.000 1.062 252 M CA 1.912 57.260 55.300 0.079 0.000 1.105 252 M CB -0.296 32.346 32.600 0.070 0.000 1.385 252 M HN 0.342 nan 8.290 nan 0.000 0.417 253 M N -0.309 119.364 119.600 0.122 0.000 2.319 253 M HA -0.102 4.378 4.480 -0.000 0.000 0.265 253 M C 2.087 178.538 176.300 0.250 0.000 1.068 253 M CA 1.201 56.575 55.300 0.123 0.000 1.118 253 M CB -0.179 32.338 32.600 -0.138 0.000 1.395 253 M HN 0.389 nan 8.290 nan 0.000 0.435 254 M N -2.498 117.234 119.600 0.220 0.000 2.382 254 M HA 0.284 4.764 4.480 -0.000 0.000 0.247 254 M C -0.256 176.218 176.300 0.291 0.000 1.104 254 M CA 0.149 55.623 55.300 0.290 0.000 1.030 254 M CB 0.457 33.150 32.600 0.156 0.000 1.424 254 M HN -0.197 nan 8.290 nan 0.000 0.486 255 S N 1.747 117.542 115.700 0.158 0.000 2.472 255 S HA 0.265 4.735 4.470 -0.000 0.000 0.303 255 S C -0.755 173.610 174.600 -0.392 0.000 1.099 255 S CA -0.655 57.489 58.200 -0.093 0.000 1.077 255 S CB 1.710 64.868 63.200 -0.070 0.000 1.031 255 S HN 0.272 nan 8.310 nan 0.000 0.487 256 D N 3.079 123.009 120.400 -0.784 0.000 2.608 256 D HA 0.262 4.902 4.640 -0.000 0.000 0.224 256 D C -0.059 176.007 176.300 -0.390 0.000 1.123 256 D CA -0.276 53.110 54.000 -1.023 0.000 1.030 256 D CB -0.508 39.697 40.800 -0.992 0.000 1.093 256 D HN 0.337 nan 8.370 nan 0.000 0.497 257 V N -0.518 119.256 119.914 -0.233 0.000 3.046 257 V HA 0.715 4.835 4.120 -0.000 0.000 0.316 257 V C 0.154 176.191 176.094 -0.096 0.000 1.104 257 V CA -0.793 61.422 62.300 -0.141 0.000 1.006 257 V CB 1.928 33.680 31.823 -0.118 0.000 1.058 257 V HN 0.099 nan 8.190 nan 0.000 0.440 258 T N 4.648 119.136 114.554 -0.109 0.000 2.756 258 T HA 0.541 4.890 4.350 -0.000 0.000 0.290 258 T C -2.715 171.870 174.700 -0.190 0.000 0.985 258 T CA -0.844 61.188 62.100 -0.113 0.000 0.955 258 T CB 1.343 70.152 68.868 -0.099 0.000 0.930 258 T HN 0.800 nan 8.240 nan 0.000 0.451 259 P HA 0.497 nan 4.420 nan 0.000 0.288 259 P C -0.842 176.131 177.300 -0.545 0.000 1.267 259 P CA -0.586 62.240 63.100 -0.458 0.000 0.815 259 P CB 1.153 32.492 31.700 -0.601 0.000 0.989 260 I N 3.318 123.525 120.570 -0.605 0.000 2.406 260 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 260 I C -0.268 175.444 176.117 -0.676 0.000 0.999 260 I CA -1.018 59.963 61.300 -0.532 0.000 1.124 260 I CB 1.244 38.991 38.000 -0.421 0.000 1.289 260 I HN 0.257 nan 8.210 nan 0.000 0.441 261 Y N 5.548 125.712 120.300 -0.225 0.000 2.327 261 Y HA 0.333 4.883 4.550 -0.000 0.000 0.336 261 Y C 0.106 175.900 175.900 -0.178 0.000 1.035 261 Y CA -0.283 57.705 58.100 -0.187 0.000 1.165 261 Y CB 0.515 38.927 38.460 -0.080 0.000 1.181 261 Y HN 0.323 nan 8.280 nan 0.000 0.494 262 F N 3.405 123.349 119.950 -0.010 0.000 2.529 262 F HA 0.256 4.782 4.527 -0.000 0.000 0.365 262 F C 0.670 176.468 175.800 -0.003 0.000 1.102 262 F CA -0.196 57.748 58.000 -0.094 0.000 1.271 262 F CB 0.550 39.455 39.000 -0.158 0.000 1.120 262 F HN 0.258 nan 8.300 nan 0.000 0.579 263 R N 4.389 124.997 120.500 0.179 0.000 2.239 263 R HA 0.303 4.643 4.340 -0.000 0.000 0.332 263 R C -2.522 173.832 176.300 0.091 0.000 0.988 263 R CA -1.882 54.284 56.100 0.110 0.000 0.859 263 R CB 0.759 31.098 30.300 0.066 0.000 1.148 263 R HN 0.248 nan 8.270 nan 0.000 0.482 264 P HA 0.045 nan 4.420 nan 0.000 0.274 264 P C 0.001 177.327 177.300 0.045 0.000 1.246 264 P CA -0.336 62.815 63.100 0.085 0.000 0.795 264 P CB 0.686 32.443 31.700 0.095 0.000 1.006 265 T N -1.582 112.980 114.554 0.015 0.000 2.852 265 T HA 0.725 5.074 4.350 -0.000 0.000 0.281 265 T C 0.154 174.923 174.700 0.115 0.000 0.993 265 T CA -0.756 61.373 62.100 0.049 0.000 0.933 265 T CB 0.810 69.691 68.868 0.022 0.000 1.187 265 T HN 0.699 nan 8.240 nan 0.000 0.559 266 R N -0.039 120.649 120.500 0.312 0.000 2.692 266 R HA 0.486 4.826 4.340 -0.000 0.000 0.269 266 R C -1.538 175.079 176.300 0.528 0.000 1.030 266 R CA -0.970 55.379 56.100 0.415 0.000 0.882 266 R CB 0.836 31.210 30.300 0.123 0.000 1.250 266 R HN 0.788 nan 8.270 nan 0.000 0.465 267 N N 0.397 119.267 118.700 0.283 0.000 2.563 267 N HA 0.389 5.128 4.740 -0.000 0.000 0.288 267 N C 0.580 176.093 175.510 0.005 0.000 1.246 267 N CA -0.303 52.736 53.050 -0.019 0.000 0.946 267 N CB 0.968 39.192 38.487 -0.439 0.000 1.213 267 N HN 0.675 nan 8.380 nan 0.000 0.578 268 A N -1.022 121.714 122.820 -0.140 0.000 2.067 268 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 268 A C 1.262 178.732 177.584 -0.190 0.000 1.158 268 A CA 0.883 52.802 52.037 -0.196 0.000 0.661 268 A CB -1.174 17.633 19.000 -0.321 0.000 0.801 268 A HN 0.649 nan 8.150 nan 0.000 0.452 269 Y N -0.721 119.524 120.300 -0.091 0.000 2.497 269 Y HA 0.179 4.729 4.550 -0.000 0.000 0.292 269 Y C 2.086 177.929 175.900 -0.094 0.000 1.137 269 Y CA 0.699 58.746 58.100 -0.089 0.000 1.285 269 Y CB -0.208 38.129 38.460 -0.204 0.000 0.991 269 Y HN 0.478 nan 8.280 nan 0.000 0.556 270 G N 0.032 108.847 108.800 0.026 0.000 2.157 270 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.239 270 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.239 270 G C 0.148 174.988 174.900 -0.101 0.000 0.982 270 G CA -0.039 45.026 45.100 -0.057 0.000 0.650 270 G HN 0.255 nan 8.290 nan 0.000 0.527 271 I N 1.216 121.733 120.570 -0.088 0.000 2.533 271 I HA 0.257 4.426 4.170 -0.000 0.000 0.284 271 I C 1.037 177.212 176.117 0.096 0.000 1.109 271 I CA -0.638 60.593 61.300 -0.115 0.000 1.412 271 I CB 0.691 38.459 38.000 -0.386 0.000 1.396 271 I HN 0.008 nan 8.210 nan 0.000 0.543 272 L N 6.147 127.409 121.223 0.064 0.000 2.453 272 L HA 0.273 4.613 4.340 -0.000 0.000 0.272 272 L C 0.867 177.839 176.870 0.169 0.000 1.182 272 L CA 0.723 55.625 54.840 0.102 0.000 0.858 272 L CB 0.595 42.677 42.059 0.038 0.000 1.120 272 L HN 0.705 nan 8.230 nan 0.000 0.474 273 G N 1.457 110.249 108.800 -0.014 0.000 2.705 273 G HA2 0.580 4.540 3.960 -0.000 0.000 0.299 273 G HA3 0.580 4.540 3.960 -0.000 0.000 0.299 273 G C -0.267 174.436 174.900 -0.328 0.000 1.315 273 G CA -0.451 44.298 45.100 -0.584 0.000 1.045 273 G HN 0.819 nan 8.290 nan 0.000 0.517 274 G N -1.071 107.463 108.800 -0.443 0.000 2.491 274 G HA2 0.399 4.359 3.960 -0.000 0.000 0.242 274 G HA3 0.399 4.359 3.960 -0.000 0.000 0.242 274 G C 0.266 175.230 174.900 0.107 0.000 1.266 274 G CA -0.576 44.385 45.100 -0.232 0.000 0.844 274 G HN 0.600 nan 8.290 nan 0.000 0.571 275 I N 3.239 124.040 120.570 0.385 0.000 2.919 275 I HA -0.035 4.135 4.170 -0.000 0.000 0.299 275 I C -1.612 174.739 176.117 0.391 0.000 1.221 275 I CA -0.760 60.707 61.300 0.278 0.000 1.424 275 I CB 0.490 38.543 38.000 0.089 0.000 1.358 275 I HN 0.263 nan 8.210 nan 0.000 0.551 276 P HA 0.007 nan 4.420 nan 0.000 0.270 276 P C 0.177 177.540 177.300 0.105 0.000 1.223 276 P CA -0.221 62.940 63.100 0.102 0.000 0.785 276 P CB 0.493 32.207 31.700 0.024 0.000 0.923 277 Q N 0.761 120.486 119.800 -0.125 0.000 2.181 277 Q HA -0.166 4.174 4.340 -0.000 0.000 0.205 277 Q C 1.924 178.114 176.000 0.317 0.000 0.980 277 Q CA 2.136 57.973 55.803 0.056 0.000 0.862 277 Q CB -0.469 27.975 28.738 -0.490 0.000 0.905 277 Q HN 0.607 nan 8.270 nan 0.000 0.429 278 S N 0.665 116.445 115.700 0.133 0.000 2.419 278 S HA -0.132 4.338 4.470 -0.000 0.000 0.233 278 S C 1.568 176.235 174.600 0.112 0.000 1.016 278 S CA 0.711 58.992 58.200 0.136 0.000 0.974 278 S CB -0.081 63.164 63.200 0.075 0.000 0.786 278 S HN 0.263 nan 8.310 nan 0.000 0.492 279 E N 0.653 120.858 120.200 0.009 0.000 2.265 279 E HA -0.043 4.307 4.350 -0.000 0.000 0.196 279 E C 0.937 177.449 176.600 -0.147 0.000 0.996 279 E CA 0.841 57.163 56.400 -0.129 0.000 0.832 279 E CB -0.299 29.211 29.700 -0.318 0.000 0.756 279 E HN 0.744 nan 8.360 nan 0.000 0.491 280 F N 0.770 120.832 119.950 0.187 0.000 2.749 280 F HA 0.086 4.613 4.527 -0.000 0.000 0.300 280 F C 1.185 177.080 175.800 0.157 0.000 1.103 280 F CA 0.038 58.137 58.000 0.165 0.000 1.342 280 F CB 0.260 39.314 39.000 0.090 0.000 1.098 280 F HN -0.248 nan 8.300 nan 0.000 0.586 281 Q N 0.417 120.396 119.800 0.299 0.000 2.327 281 Q HA -0.017 4.323 4.340 -0.000 0.000 0.254 281 Q C 1.498 177.662 176.000 0.273 0.000 0.952 281 Q CA 0.074 56.034 55.803 0.262 0.000 0.884 281 Q CB 0.561 29.434 28.738 0.225 0.000 1.224 281 Q HN 0.295 nan 8.270 nan 0.000 0.422 282 H N 2.601 121.808 119.070 0.229 0.000 2.319 282 H HA -0.207 4.349 4.556 -0.000 0.000 0.297 282 H C 1.460 176.942 175.328 0.258 0.000 1.097 282 H CA 2.263 58.491 56.048 0.300 0.000 1.285 282 H CB 0.353 30.208 29.762 0.154 0.000 1.368 282 H HN 0.729 nan 8.280 nan 0.000 0.495 283 A N -0.126 122.900 122.820 0.344 0.000 1.908 283 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 283 A C 2.704 180.385 177.584 0.163 0.000 1.181 283 A CA 2.318 54.501 52.037 0.243 0.000 0.627 283 A CB -1.013 18.087 19.000 0.167 0.000 0.818 283 A HN 0.564 nan 8.150 nan 0.000 0.445 284 T N 0.287 114.923 114.554 0.136 0.000 2.708 284 T HA -0.089 4.260 4.350 -0.000 0.000 0.266 284 T C 1.806 176.528 174.700 0.035 0.000 1.037 284 T CA 1.567 63.715 62.100 0.080 0.000 1.146 284 T CB -0.406 68.507 68.868 0.075 0.000 0.865 284 T HN 0.437 nan 8.240 nan 0.000 0.435 285 I N 1.422 122.005 120.570 0.021 0.000 2.252 285 I HA -0.122 4.047 4.170 -0.000 0.000 0.245 285 I C 2.960 179.037 176.117 -0.068 0.000 1.102 285 I CA 1.022 62.246 61.300 -0.127 0.000 1.385 285 I CB -0.503 37.315 38.000 -0.303 0.000 1.064 285 I HN 0.181 nan 8.210 nan 0.000 0.414 286 A N 0.736 123.638 122.820 0.137 0.000 1.940 286 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 286 A C 2.351 180.000 177.584 0.109 0.000 1.176 286 A CA 2.093 54.267 52.037 0.228 0.000 0.631 286 A CB -0.528 18.640 19.000 0.280 0.000 0.814 286 A HN 0.351 nan 8.150 nan 0.000 0.446 287 K N -0.481 119.966 120.400 0.079 0.000 2.057 287 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 287 K C 2.257 178.864 176.600 0.013 0.000 1.050 287 K CA 1.230 57.546 56.287 0.048 0.000 0.935 287 K CB -0.147 32.382 32.500 0.049 0.000 0.715 287 K HN 0.442 nan 8.250 nan 0.000 0.439 288 R N -0.031 120.457 120.500 -0.019 0.000 2.096 288 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 288 R C 2.223 178.481 176.300 -0.069 0.000 1.127 288 R CA 1.387 57.454 56.100 -0.056 0.000 0.968 288 R CB -0.371 29.868 30.300 -0.101 0.000 0.861 288 R HN 0.051 nan 8.270 nan 0.000 0.440 289 V N 1.659 121.529 119.914 -0.074 0.000 2.287 289 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 289 V C 2.466 178.552 176.094 -0.013 0.000 1.053 289 V CA 1.794 64.058 62.300 -0.060 0.000 1.027 289 V CB -0.502 31.306 31.823 -0.024 0.000 0.646 289 V HN 0.334 nan 8.190 nan 0.000 0.447 290 K N 0.098 120.507 120.400 0.015 0.000 2.063 290 K HA -0.230 4.090 4.320 -0.000 0.000 0.208 290 K C 1.879 178.484 176.600 0.007 0.000 1.048 290 K CA 2.004 58.304 56.287 0.022 0.000 0.928 290 K CB -0.106 32.415 32.500 0.036 0.000 0.713 290 K HN 0.583 nan 8.250 nan 0.000 0.442 291 E N -0.163 120.036 120.200 -0.001 0.000 2.489 291 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 291 E C -0.389 176.204 176.600 -0.011 0.000 1.057 291 E CA 0.222 56.620 56.400 -0.003 0.000 0.866 291 E CB 0.644 30.343 29.700 -0.002 0.000 0.916 291 E HN 0.112 nan 8.360 nan 0.000 0.500 292 T N 2.924 117.464 114.554 -0.023 0.000 2.772 292 T HA 0.268 4.618 4.350 -0.000 0.000 0.288 292 T C -2.549 172.136 174.700 -0.025 0.000 0.994 292 T CA -1.759 60.322 62.100 -0.031 0.000 0.951 292 T CB 1.521 70.351 68.868 -0.063 0.000 0.933 292 T HN -0.149 nan 8.240 nan 0.000 0.447 293 P HA 0.160 nan 4.420 nan 0.000 0.264 293 P C 0.309 177.600 177.300 -0.015 0.000 1.193 293 P CA 0.254 63.348 63.100 -0.009 0.000 0.763 293 P CB 0.117 31.816 31.700 -0.002 0.000 0.810 294 N N -0.712 117.980 118.700 -0.012 0.000 2.936 294 N HA -0.227 4.512 4.740 -0.000 0.000 0.236 294 N C 0.062 175.554 175.510 -0.029 0.000 0.930 294 N CA 0.640 53.680 53.050 -0.016 0.000 0.966 294 N CB -1.519 36.959 38.487 -0.015 0.000 1.090 294 N HN 0.545 nan 8.380 nan 0.000 0.592 295 A N 0.704 123.500 122.820 -0.039 0.000 2.407 295 A HA 0.565 4.885 4.320 -0.000 0.000 0.248 295 A C 0.899 178.463 177.584 -0.032 0.000 1.082 295 A CA 0.924 52.925 52.037 -0.060 0.000 0.785 295 A CB 0.368 19.315 19.000 -0.089 0.000 1.020 295 A HN 0.333 nan 8.150 nan 0.000 0.489 296 T N -1.128 113.404 114.554 -0.037 0.000 2.831 296 T HA 0.498 4.848 4.350 -0.000 0.000 0.287 296 T C -0.100 174.611 174.700 0.018 0.000 1.070 296 T CA -0.692 61.421 62.100 0.021 0.000 1.010 296 T CB 0.749 69.636 68.868 0.032 0.000 1.264 296 T HN 0.804 nan 8.240 nan 0.000 0.532 297 W N 3.082 124.352 121.300 -0.050 0.000 2.347 297 W HA 0.227 4.887 4.660 -0.000 0.000 0.333 297 W C -2.503 173.979 176.519 -0.062 0.000 1.383 297 W CA -1.345 55.962 57.345 -0.062 0.000 1.283 297 W CB -0.030 29.406 29.460 -0.039 0.000 1.253 297 W HN 0.430 nan 8.180 nan 0.000 0.563 298 P HA -0.106 nan 4.420 nan 0.000 0.265 298 P C 0.701 177.845 177.300 -0.260 0.000 1.193 298 P CA 0.349 63.130 63.100 -0.532 0.000 0.765 298 P CB 0.715 32.029 31.700 -0.644 0.000 0.823 299 V N -0.425 119.440 119.914 -0.082 0.000 3.506 299 V HA 0.207 4.327 4.120 -0.000 0.000 0.263 299 V C 0.419 176.588 176.094 0.124 0.000 1.203 299 V CA 0.933 63.260 62.300 0.046 0.000 1.133 299 V CB -1.086 30.754 31.823 0.028 0.000 0.802 299 V HN 0.550 nan 8.190 nan 0.000 0.459 300 H N -0.221 118.811 119.070 -0.063 0.000 3.046 300 H HA 0.799 5.355 4.556 -0.000 0.000 0.363 300 H C -0.991 174.302 175.328 -0.058 0.000 1.203 300 H CA -0.022 56.019 56.048 -0.013 0.000 1.169 300 H CB 1.993 31.748 29.762 -0.011 0.000 1.851 300 H HN 0.406 nan 8.280 nan 0.000 0.546 301 A N 3.184 125.741 122.820 -0.437 0.000 2.422 301 A HA 0.661 4.981 4.320 -0.000 0.000 0.302 301 A C -1.583 175.761 177.584 -0.399 0.000 1.041 301 A CA -0.534 51.320 52.037 -0.305 0.000 0.708 301 A CB 1.415 20.409 19.000 -0.010 0.000 1.257 301 A HN 0.434 nan 8.150 nan 0.000 0.414 302 V N 2.713 122.497 119.914 -0.218 0.000 2.487 302 V HA 0.551 4.670 4.120 -0.000 0.000 0.298 302 V C -0.815 175.240 176.094 -0.066 0.000 1.028 302 V CA -0.205 61.958 62.300 -0.228 0.000 0.860 302 V CB 1.272 32.993 31.823 -0.171 0.000 0.991 302 V HN 0.717 nan 8.190 nan 0.000 0.427 303 I N 2.756 123.197 120.570 -0.214 0.000 2.465 303 I HA 0.395 4.565 4.170 -0.000 0.000 0.291 303 I C 0.332 176.447 176.117 -0.004 0.000 1.014 303 I CA -0.160 61.072 61.300 -0.114 0.000 1.093 303 I CB 2.364 40.191 38.000 -0.289 0.000 1.267 303 I HN 0.508 nan 8.210 nan 0.000 0.431 304 T N 4.416 119.039 114.554 0.114 0.000 2.727 304 T HA 0.231 4.581 4.350 -0.000 0.000 0.295 304 T C -0.220 174.690 174.700 0.351 0.000 0.915 304 T CA -0.152 62.066 62.100 0.196 0.000 1.066 304 T CB -0.333 68.662 68.868 0.211 0.000 0.891 304 T HN 0.468 nan 8.240 nan 0.000 0.516 305 N N 2.263 121.162 118.700 0.331 0.000 2.410 305 N HA 0.350 5.090 4.740 -0.000 0.000 0.287 305 N C -0.109 175.536 175.510 0.225 0.000 1.044 305 N CA -0.557 52.714 53.050 0.367 0.000 0.881 305 N CB 1.363 40.067 38.487 0.362 0.000 1.405 305 N HN 0.531 nan 8.380 nan 0.000 0.490 306 S N 1.447 117.279 115.700 0.219 0.000 2.641 306 S HA 0.389 4.859 4.470 -0.000 0.000 0.261 306 S C 0.581 175.357 174.600 0.294 0.000 1.257 306 S CA -0.440 57.904 58.200 0.239 0.000 0.983 306 S CB 0.144 63.463 63.200 0.199 0.000 0.990 306 S HN 0.668 nan 8.310 nan 0.000 0.572 307 T N -1.132 113.561 114.554 0.232 0.000 2.748 307 T HA 0.096 4.446 4.350 -0.000 0.000 0.304 307 T C 0.798 175.622 174.700 0.208 0.000 1.041 307 T CA -0.203 62.040 62.100 0.239 0.000 1.033 307 T CB -0.178 68.792 68.868 0.169 0.000 0.995 307 T HN 0.588 nan 8.240 nan 0.000 0.536 308 Y N 1.471 121.762 120.300 -0.015 0.000 2.165 308 Y HA -0.085 4.465 4.550 -0.000 0.000 0.286 308 Y C 1.803 177.510 175.900 -0.322 0.000 1.155 308 Y CA 1.846 59.696 58.100 -0.417 0.000 1.164 308 Y CB -0.879 37.438 38.460 -0.240 0.000 0.978 308 Y HN 0.791 nan 8.280 nan 0.000 0.513 309 D N -1.148 119.304 120.400 0.088 0.000 2.324 309 D HA 0.248 4.888 4.640 -0.000 0.000 0.235 309 D C 1.412 177.865 176.300 0.254 0.000 1.095 309 D CA 0.874 54.926 54.000 0.086 0.000 0.871 309 D CB -0.258 40.546 40.800 0.008 0.000 0.906 309 D HN 0.409 nan 8.370 nan 0.000 0.522 310 G N 0.415 109.347 108.800 0.221 0.000 2.131 310 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.223 310 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.223 310 G C -0.014 175.052 174.900 0.276 0.000 0.990 310 G CA -0.570 44.690 45.100 0.267 0.000 0.671 310 G HN 0.331 nan 8.290 nan 0.000 0.521 311 L N 0.798 122.161 121.223 0.232 0.000 2.278 311 L HA 0.570 4.910 4.340 -0.000 0.000 0.287 311 L C 0.768 177.645 176.870 0.011 0.000 1.072 311 L CA -0.541 54.369 54.840 0.118 0.000 0.819 311 L CB 0.935 43.013 42.059 0.033 0.000 1.176 311 L HN 0.063 nan 8.230 nan 0.000 0.435 312 L N 3.464 124.718 121.223 0.052 0.000 2.334 312 L HA 0.428 4.768 4.340 -0.000 0.000 0.275 312 L C -0.463 176.396 176.870 -0.018 0.000 1.036 312 L CA -0.549 54.343 54.840 0.085 0.000 0.807 312 L CB 1.161 43.338 42.059 0.198 0.000 1.231 312 L HN 0.335 nan 8.230 nan 0.000 0.438 313 Y N 0.614 120.940 120.300 0.043 0.000 2.307 313 Y HA 0.096 4.646 4.550 -0.000 0.000 0.324 313 Y C 0.849 176.813 175.900 0.106 0.000 1.238 313 Y CA -0.342 57.730 58.100 -0.047 0.000 1.280 313 Y CB 0.523 38.954 38.460 -0.049 0.000 1.248 313 Y HN 0.482 nan 8.280 nan 0.000 0.508 314 N N 1.439 120.332 118.700 0.320 0.000 2.434 314 N HA -0.059 4.681 4.740 -0.000 0.000 0.273 314 N C 0.788 176.444 175.510 0.244 0.000 1.210 314 N CA 0.366 53.635 53.050 0.365 0.000 0.992 314 N CB 0.392 39.105 38.487 0.376 0.000 1.355 314 N HN 0.836 nan 8.380 nan 0.000 0.495 315 T N -0.476 114.131 114.554 0.089 0.000 3.023 315 T HA -0.033 4.317 4.350 -0.000 0.000 0.266 315 T C 1.037 175.754 174.700 0.028 0.000 1.093 315 T CA 0.533 62.616 62.100 -0.029 0.000 1.129 315 T CB 0.130 68.784 68.868 -0.356 0.000 0.899 315 T HN 0.207 nan 8.240 nan 0.000 0.491 316 D N 0.943 121.378 120.400 0.059 0.000 2.097 316 D HA -0.049 4.591 4.640 -0.000 0.000 0.195 316 D C 1.528 177.879 176.300 0.086 0.000 0.989 316 D CA 0.895 54.932 54.000 0.062 0.000 0.827 316 D CB -0.548 40.296 40.800 0.074 0.000 0.966 316 D HN 0.469 nan 8.370 nan 0.000 0.456 317 F N 1.421 121.388 119.950 0.028 0.000 2.095 317 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 317 F C 2.229 177.995 175.800 -0.057 0.000 1.104 317 F CA 1.283 59.293 58.000 0.016 0.000 1.232 317 F CB -0.251 38.787 39.000 0.064 0.000 0.987 317 F HN -0.135 nan 8.300 nan 0.000 0.475 318 I N 0.526 121.023 120.570 -0.121 0.000 2.163 318 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 318 I C 2.357 178.336 176.117 -0.230 0.000 1.085 318 I CA 1.735 62.804 61.300 -0.384 0.000 1.347 318 I CB -0.599 37.209 38.000 -0.319 0.000 1.044 318 I HN 0.129 nan 8.210 nan 0.000 0.408 319 K N 0.645 121.012 120.400 -0.055 0.000 2.097 319 K HA -0.228 4.091 4.320 -0.000 0.000 0.206 319 K C 2.183 178.749 176.600 -0.057 0.000 1.049 319 K CA 1.297 57.582 56.287 -0.003 0.000 0.933 319 K CB -0.147 32.380 32.500 0.045 0.000 0.717 319 K HN 0.245 nan 8.250 nan 0.000 0.442 320 K N 0.360 120.690 120.400 -0.117 0.000 2.103 320 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 320 K C 1.531 178.037 176.600 -0.157 0.000 1.052 320 K CA 1.430 57.648 56.287 -0.114 0.000 0.945 320 K CB 0.230 32.667 32.500 -0.105 0.000 0.722 320 K HN 0.005 nan 8.250 nan 0.000 0.443 321 T N 0.834 115.201 114.554 -0.311 0.000 3.010 321 T HA 0.043 4.392 4.350 -0.000 0.000 0.252 321 T C 0.109 174.769 174.700 -0.067 0.000 1.047 321 T CA -0.115 61.806 62.100 -0.299 0.000 1.140 321 T CB 0.134 68.537 68.868 -0.774 0.000 0.885 321 T HN 0.064 nan 8.240 nan 0.000 0.464 322 L N 3.489 124.690 121.223 -0.036 0.000 2.325 322 L HA 0.269 4.609 4.340 -0.000 0.000 0.284 322 L C -0.577 176.401 176.870 0.180 0.000 1.089 322 L CA -0.171 54.755 54.840 0.144 0.000 0.836 322 L CB 0.211 42.370 42.059 0.168 0.000 1.184 322 L HN -0.054 nan 8.230 nan 0.000 0.444 323 D N 5.332 125.908 120.400 0.293 0.000 2.994 323 D HA 0.155 4.795 4.640 -0.000 0.000 0.240 323 D C -0.639 175.934 176.300 0.455 0.000 1.195 323 D CA 0.307 54.510 54.000 0.338 0.000 0.957 323 D CB 0.234 41.278 40.800 0.407 0.000 1.105 323 D HN 0.238 nan 8.370 nan 0.000 0.477 324 V N 1.339 121.431 119.914 0.297 0.000 2.735 324 V HA 0.137 4.257 4.120 -0.000 0.000 0.310 324 V C 1.251 177.461 176.094 0.194 0.000 1.061 324 V CA -0.917 61.542 62.300 0.266 0.000 0.913 324 V CB 2.665 34.565 31.823 0.127 0.000 1.005 324 V HN 0.169 nan 8.190 nan 0.000 0.428 325 K N 1.152 121.669 120.400 0.196 0.000 2.432 325 K HA 0.132 4.452 4.320 -0.000 0.000 0.196 325 K C 0.635 177.337 176.600 0.169 0.000 1.038 325 K CA 0.680 57.062 56.287 0.158 0.000 0.986 325 K CB 0.452 33.039 32.500 0.145 0.000 0.782 325 K HN 0.447 nan 8.250 nan 0.000 0.485 326 S N 0.827 116.656 115.700 0.215 0.000 2.733 326 S HA 0.491 4.960 4.470 -0.000 0.000 0.294 326 S C -1.153 173.606 174.600 0.266 0.000 1.149 326 S CA -0.900 57.500 58.200 0.333 0.000 1.034 326 S CB 0.630 64.145 63.200 0.526 0.000 1.015 326 S HN 0.276 nan 8.310 nan 0.000 0.486 327 I N 4.903 125.593 120.570 0.200 0.000 2.447 327 I HA 0.355 4.525 4.170 -0.000 0.000 0.287 327 I C -0.843 175.332 176.117 0.095 0.000 1.023 327 I CA -0.749 60.555 61.300 0.007 0.000 1.083 327 I CB 1.768 39.712 38.000 -0.092 0.000 1.245 327 I HN 0.703 nan 8.210 nan 0.000 0.434 328 H N 7.059 126.034 119.070 -0.159 0.000 2.551 328 H HA 0.455 5.011 4.556 -0.000 0.000 0.321 328 H C -1.646 173.558 175.328 -0.207 0.000 1.028 328 H CA -1.112 54.947 56.048 0.018 0.000 1.215 328 H CB 0.691 30.501 29.762 0.080 0.000 1.414 328 H HN 0.256 nan 8.280 nan 0.000 0.480 329 F N 3.775 123.838 119.950 0.187 0.000 2.390 329 F HA 0.128 4.655 4.527 -0.000 0.000 0.361 329 F C 0.656 176.405 175.800 -0.085 0.000 1.124 329 F CA -0.644 57.347 58.000 -0.015 0.000 1.149 329 F CB 0.618 39.651 39.000 0.055 0.000 1.160 329 F HN 0.545 nan 8.300 nan 0.000 0.501 330 D N 2.433 122.725 120.400 -0.181 0.000 2.359 330 D HA 0.054 4.694 4.640 -0.000 0.000 0.250 330 D C -0.007 176.317 176.300 0.039 0.000 1.264 330 D CA 0.223 54.164 54.000 -0.097 0.000 0.911 330 D CB 0.548 41.251 40.800 -0.162 0.000 1.056 330 D HN 0.358 nan 8.370 nan 0.000 0.499 331 S N 2.579 118.320 115.700 0.069 0.000 2.506 331 S HA 0.288 4.758 4.470 -0.000 0.000 0.245 331 S C 1.588 176.143 174.600 -0.075 0.000 1.088 331 S CA -0.173 58.048 58.200 0.035 0.000 1.099 331 S CB 0.914 64.149 63.200 0.059 0.000 0.805 331 S HN 0.555 nan 8.310 nan 0.000 0.461 332 A N 0.839 123.540 122.820 -0.199 0.000 1.978 332 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 332 A C 1.466 178.797 177.584 -0.421 0.000 1.170 332 A CA 1.087 52.881 52.037 -0.406 0.000 0.636 332 A CB -0.685 17.909 19.000 -0.675 0.000 0.810 332 A HN 0.788 nan 8.150 nan 0.000 0.448 333 W N -0.614 120.616 121.300 -0.116 0.000 3.003 333 W HA 0.217 4.877 4.660 -0.000 0.000 0.257 333 W C 0.665 177.089 176.519 -0.158 0.000 1.308 333 W CA 0.628 57.917 57.345 -0.094 0.000 1.529 333 W CB 0.449 29.883 29.460 -0.042 0.000 1.115 333 W HN 0.199 nan 8.180 nan 0.000 0.659 334 V N -2.311 117.529 119.914 -0.123 0.000 2.562 334 V HA 0.301 4.421 4.120 -0.000 0.000 0.274 334 V C -1.790 173.913 176.094 -0.652 0.000 1.075 334 V CA -1.524 60.395 62.300 -0.635 0.000 1.204 334 V CB 0.301 31.844 31.823 -0.465 0.000 1.478 334 V HN -0.192 nan 8.190 nan 0.000 0.622 335 P HA -0.052 nan 4.420 nan 0.000 0.237 335 P C 0.688 178.018 177.300 0.051 0.000 1.178 335 P CA 1.065 64.135 63.100 -0.050 0.000 0.766 335 P CB -0.106 31.671 31.700 0.128 0.000 0.876 336 Y N -1.767 118.578 120.300 0.075 0.000 2.507 336 Y HA 0.278 4.828 4.550 -0.000 0.000 0.254 336 Y C 1.856 177.608 175.900 -0.246 0.000 1.171 336 Y CA -0.031 58.146 58.100 0.128 0.000 1.238 336 Y CB -1.784 36.779 38.460 0.172 0.000 1.148 336 Y HN -0.177 nan 8.280 nan 0.000 0.525 337 T N -2.582 111.692 114.554 -0.467 0.000 2.915 337 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 337 T C 1.502 176.010 174.700 -0.320 0.000 1.071 337 T CA 1.607 63.416 62.100 -0.484 0.000 1.132 337 T CB -0.435 68.160 68.868 -0.454 0.000 0.878 337 T HN 0.349 nan 8.240 nan 0.000 0.479 338 N N 0.391 118.667 118.700 -0.706 0.000 2.550 338 N HA 0.077 4.817 4.740 -0.000 0.000 0.186 338 N C 0.255 175.371 175.510 -0.657 0.000 1.110 338 N CA 0.293 52.886 53.050 -0.762 0.000 0.912 338 N CB -0.462 37.440 38.487 -0.975 0.000 0.968 338 N HN 0.483 nan 8.380 nan 0.000 0.448 339 F N -1.287 118.660 119.950 -0.005 0.000 2.678 339 F HA 0.422 4.949 4.527 -0.000 0.000 0.305 339 F C 0.708 176.541 175.800 0.055 0.000 1.090 339 F CA -0.525 57.470 58.000 -0.009 0.000 1.272 339 F CB -0.131 38.848 39.000 -0.034 0.000 1.060 339 F HN -0.146 nan 8.300 nan 0.000 0.576 340 S N 0.755 116.583 115.700 0.213 0.000 2.548 340 S HA 0.408 4.878 4.470 -0.000 0.000 0.276 340 S C -2.098 172.522 174.600 0.032 0.000 1.129 340 S CA -1.362 56.913 58.200 0.125 0.000 0.931 340 S CB 1.758 65.037 63.200 0.131 0.000 1.068 340 S HN -0.182 nan 8.310 nan 0.000 0.480 341 P HA -0.025 nan 4.420 nan 0.000 0.225 341 P C 1.524 178.719 177.300 -0.176 0.000 1.148 341 P CA 0.708 63.755 63.100 -0.089 0.000 0.779 341 P CB -0.489 31.163 31.700 -0.081 0.000 0.780 342 I N -4.602 115.789 120.570 -0.299 0.000 2.567 342 I HA -0.178 3.992 4.170 -0.000 0.000 0.257 342 I C 1.512 177.291 176.117 -0.563 0.000 1.184 342 I CA 1.376 62.384 61.300 -0.486 0.000 1.451 342 I CB -1.140 36.473 38.000 -0.645 0.000 1.089 342 I HN -0.171 nan 8.210 nan 0.000 0.441 343 Y N 1.676 121.892 120.300 -0.141 0.000 2.466 343 Y HA 0.304 4.854 4.550 -0.000 0.000 0.272 343 Y C 0.782 176.572 175.900 -0.183 0.000 1.169 343 Y CA -0.553 57.455 58.100 -0.154 0.000 1.285 343 Y CB -0.173 38.230 38.460 -0.095 0.000 1.078 343 Y HN 0.194 nan 8.280 nan 0.000 0.523 344 E N 0.410 120.560 120.200 -0.083 0.000 2.414 344 E HA 0.145 4.495 4.350 -0.000 0.000 0.263 344 E C 1.122 177.641 176.600 -0.135 0.000 1.000 344 E CA 0.806 57.147 56.400 -0.099 0.000 0.914 344 E CB 0.412 30.053 29.700 -0.098 0.000 0.948 344 E HN 0.528 nan 8.360 nan 0.000 0.444 345 G N 3.184 111.918 108.800 -0.109 0.000 2.155 345 G HA2 -0.354 3.605 3.960 -0.000 0.000 0.257 345 G HA3 -0.354 3.605 3.960 -0.000 0.000 0.257 345 G C 0.491 175.325 174.900 -0.111 0.000 0.983 345 G CA 0.717 45.758 45.100 -0.098 0.000 0.676 345 G HN 0.559 nan 8.290 nan 0.000 0.528 346 K N -0.765 119.557 120.400 -0.129 0.000 2.564 346 K HA 0.420 4.740 4.320 -0.000 0.000 0.201 346 K C 0.405 176.932 176.600 -0.122 0.000 1.086 346 K CA 0.254 56.483 56.287 -0.097 0.000 1.062 346 K CB 0.514 32.944 32.500 -0.115 0.000 0.849 346 K HN 0.768 nan 8.250 nan 0.000 0.529 347 C N -3.813 115.362 119.300 -0.209 0.000 3.173 347 C HA 0.657 5.117 4.460 -0.000 0.000 0.310 347 C C 1.845 176.592 174.990 -0.406 0.000 1.306 347 C CA -0.837 58.006 59.018 -0.291 0.000 1.426 347 C CB 0.909 28.527 27.740 -0.203 0.000 1.800 347 C HN 0.318 nan 8.230 nan 0.000 0.470 348 G N 0.756 109.275 108.800 -0.467 0.000 2.440 348 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.218 348 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.218 348 G C 1.084 175.930 174.900 -0.091 0.000 1.154 348 G CA 1.090 45.988 45.100 -0.337 0.000 0.767 348 G HN 0.728 nan 8.290 nan 0.000 0.552 349 M N 1.130 120.684 119.600 -0.076 0.000 2.562 349 M HA 0.166 4.645 4.480 -0.000 0.000 0.257 349 M C 1.498 177.745 176.300 -0.088 0.000 1.099 349 M CA -0.160 55.103 55.300 -0.063 0.000 1.099 349 M CB -0.753 31.795 32.600 -0.087 0.000 1.427 349 M HN 0.168 nan 8.290 nan 0.000 0.489 350 S N 0.485 116.117 115.700 -0.112 0.000 2.549 350 S HA 0.426 4.896 4.470 -0.000 0.000 0.286 350 S C 0.912 175.469 174.600 -0.072 0.000 1.314 350 S CA 0.703 58.842 58.200 -0.101 0.000 1.062 350 S CB 0.151 63.284 63.200 -0.111 0.000 0.865 350 S HN 0.779 nan 8.310 nan 0.000 0.498 351 G N 3.347 112.110 108.800 -0.062 0.000 2.584 351 G HA2 0.077 4.037 3.960 -0.000 0.000 0.229 351 G HA3 0.077 4.037 3.960 -0.000 0.000 0.229 351 G C 0.170 175.046 174.900 -0.040 0.000 1.320 351 G CA -0.181 44.892 45.100 -0.045 0.000 0.891 351 G HN 1.369 nan 8.290 nan 0.000 0.573 352 G N -1.235 107.547 108.800 -0.030 0.000 2.971 352 G HA2 0.671 4.630 3.960 -0.000 0.000 0.235 352 G HA3 0.671 4.630 3.960 -0.000 0.000 0.235 352 G C 0.153 175.039 174.900 -0.023 0.000 1.351 352 G CA -0.334 44.749 45.100 -0.028 0.000 1.039 352 G HN 0.747 nan 8.290 nan 0.000 0.563 353 R N -1.421 119.064 120.500 -0.023 0.000 2.734 353 R HA 0.310 4.650 4.340 -0.000 0.000 0.266 353 R C -0.661 175.633 176.300 -0.011 0.000 1.044 353 R CA -0.056 56.032 56.100 -0.021 0.000 1.128 353 R CB 0.772 31.058 30.300 -0.023 0.000 1.010 353 R HN 0.141 nan 8.270 nan 0.000 0.461 354 V N 2.807 122.718 119.914 -0.005 0.000 2.384 354 V HA 0.101 4.221 4.120 -0.000 0.000 0.287 354 V C -0.089 176.008 176.094 0.005 0.000 1.020 354 V CA -0.672 61.630 62.300 0.004 0.000 0.850 354 V CB 1.458 33.290 31.823 0.015 0.000 0.987 354 V HN 0.720 nan 8.190 nan 0.000 0.436 355 E N 3.360 123.563 120.200 0.005 0.000 2.480 355 E HA 0.312 4.662 4.350 -0.000 0.000 0.258 355 E C 1.250 177.860 176.600 0.016 0.000 0.984 355 E CA 0.942 57.347 56.400 0.007 0.000 0.930 355 E CB 0.342 30.045 29.700 0.005 0.000 0.936 355 E HN 1.090 nan 8.360 nan 0.000 0.466 356 G N 3.126 111.937 108.800 0.020 0.000 2.176 356 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.253 356 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.253 356 G C -0.005 174.923 174.900 0.047 0.000 0.979 356 G CA 0.223 45.342 45.100 0.032 0.000 0.641 356 G HN 0.436 nan 8.290 nan 0.000 0.530 357 K N -0.671 119.752 120.400 0.038 0.000 2.435 357 K HA 0.725 5.044 4.320 -0.000 0.000 0.251 357 K C -1.041 175.568 176.600 0.015 0.000 0.954 357 K CA -0.852 55.464 56.287 0.048 0.000 0.820 357 K CB 3.341 35.872 32.500 0.052 0.000 1.292 357 K HN 0.328 nan 8.250 nan 0.000 0.436 358 V N 3.703 123.623 119.914 0.009 0.000 2.513 358 V HA 0.501 4.621 4.120 -0.000 0.000 0.299 358 V C -1.141 174.841 176.094 -0.187 0.000 1.035 358 V CA -0.777 61.448 62.300 -0.126 0.000 0.889 358 V CB 1.158 32.885 31.823 -0.159 0.000 0.988 358 V HN 0.539 nan 8.190 nan 0.000 0.440 359 I N 6.852 127.270 120.570 -0.253 0.000 2.493 359 I HA 0.520 4.690 4.170 -0.000 0.000 0.298 359 I C -0.826 175.138 176.117 -0.256 0.000 0.998 359 I CA -0.523 60.718 61.300 -0.098 0.000 1.137 359 I CB 1.508 39.555 38.000 0.079 0.000 1.310 359 I HN 0.591 nan 8.210 nan 0.000 0.445 360 Y N 2.623 123.064 120.300 0.236 0.000 2.485 360 Y HA 0.509 5.059 4.550 -0.000 0.000 0.345 360 Y C 0.184 176.301 175.900 0.361 0.000 0.998 360 Y CA -0.805 57.431 58.100 0.227 0.000 1.059 360 Y CB 1.919 40.453 38.460 0.123 0.000 1.234 360 Y HN 0.445 nan 8.280 nan 0.000 0.461 361 E N 1.097 121.574 120.200 0.462 0.000 2.222 361 E HA 0.445 4.795 4.350 -0.000 0.000 0.267 361 E C -1.123 175.658 176.600 0.301 0.000 0.884 361 E CA -0.902 55.746 56.400 0.413 0.000 0.764 361 E CB 2.119 32.016 29.700 0.329 0.000 1.169 361 E HN 0.665 nan 8.360 nan 0.000 0.413 362 T N 0.313 115.046 114.554 0.298 0.000 2.855 362 T HA 0.526 4.876 4.350 -0.000 0.000 0.281 362 T C -0.246 174.480 174.700 0.043 0.000 1.007 362 T CA -0.915 61.258 62.100 0.122 0.000 1.009 362 T CB 1.581 70.540 68.868 0.152 0.000 0.983 362 T HN 0.342 nan 8.240 nan 0.000 0.455 363 Q N 1.066 120.835 119.800 -0.051 0.000 2.331 363 Q HA 0.479 4.818 4.340 -0.000 0.000 0.272 363 Q C -1.053 174.866 176.000 -0.135 0.000 1.062 363 Q CA -0.776 54.979 55.803 -0.079 0.000 0.806 363 Q CB 2.574 31.309 28.738 -0.005 0.000 1.312 363 Q HN 0.690 nan 8.270 nan 0.000 0.431 364 S N 1.594 117.161 115.700 -0.223 0.000 2.642 364 S HA 0.065 4.535 4.470 -0.000 0.000 0.309 364 S C 0.913 175.341 174.600 -0.286 0.000 1.125 364 S CA -0.246 57.757 58.200 -0.328 0.000 1.055 364 S CB 0.396 63.233 63.200 -0.604 0.000 1.157 364 S HN 0.629 nan 8.310 nan 0.000 0.513 365 T N 2.301 116.794 114.554 -0.102 0.000 2.737 365 T HA -0.192 4.157 4.350 -0.000 0.000 0.269 365 T C 0.921 175.628 174.700 0.012 0.000 1.040 365 T CA 1.786 63.892 62.100 0.010 0.000 1.142 365 T CB -0.602 68.299 68.868 0.055 0.000 0.861 365 T HN 0.894 nan 8.240 nan 0.000 0.456 369 L N -0.402 120.934 121.223 0.189 0.000 2.422 369 L HA 0.866 5.205 4.340 -0.000 0.000 0.263 369 L C 0.204 177.142 176.870 0.114 0.000 1.110 369 L CA -0.751 54.196 54.840 0.179 0.000 1.065 369 L CB 1.289 43.486 42.059 0.231 0.000 1.701 369 L HN -0.040 nan 8.230 nan 0.000 0.548 370 A N 0.214 123.082 122.820 0.079 0.000 2.293 370 A HA 0.820 5.140 4.320 -0.000 0.000 0.312 370 A C -0.720 176.858 177.584 -0.010 0.000 1.309 370 A CA -0.174 51.880 52.037 0.028 0.000 0.839 370 A CB 0.523 19.522 19.000 -0.002 0.000 1.155 370 A HN 0.656 nan 8.150 nan 0.000 0.501 371 A N 1.715 124.530 122.820 -0.009 0.000 2.601 371 A HA 0.757 5.077 4.320 -0.000 0.000 0.291 371 A C -1.127 176.459 177.584 0.003 0.000 1.075 371 A CA -0.655 51.348 52.037 -0.057 0.000 0.671 371 A CB 0.440 19.477 19.000 0.061 0.000 1.277 371 A HN 0.592 nan 8.150 nan 0.000 0.417 372 F N 1.425 121.439 119.950 0.105 0.000 2.450 372 F HA 0.390 4.917 4.527 -0.000 0.000 0.339 372 F C 1.512 177.317 175.800 0.008 0.000 1.146 372 F CA 0.176 58.213 58.000 0.061 0.000 1.267 372 F CB 0.771 39.792 39.000 0.035 0.000 1.178 372 F HN 0.461 nan 8.300 nan 0.000 0.585 373 S N 1.723 117.503 115.700 0.134 0.000 2.573 373 S HA -0.024 4.446 4.470 -0.000 0.000 0.297 373 S C 0.513 174.977 174.600 -0.228 0.000 1.280 373 S CA 0.273 58.324 58.200 -0.249 0.000 1.061 373 S CB 0.212 63.305 63.200 -0.179 0.000 0.812 373 S HN 0.721 nan 8.310 nan 0.000 0.500 374 Q N -1.771 117.778 119.800 -0.419 0.000 2.476 374 Q HA -0.196 4.144 4.340 -0.000 0.000 0.154 374 Q C 0.199 176.215 176.000 0.025 0.000 0.560 374 Q CA 0.861 56.572 55.803 -0.153 0.000 1.285 374 Q CB -1.654 27.020 28.738 -0.106 0.000 1.065 374 Q HN 0.892 nan 8.270 nan 0.000 1.065 375 A N 1.521 124.411 122.820 0.116 0.000 2.492 375 A HA 0.504 4.824 4.320 -0.000 0.000 0.254 375 A C 0.209 177.900 177.584 0.178 0.000 1.091 375 A CA 1.112 53.246 52.037 0.162 0.000 0.768 375 A CB 0.823 19.927 19.000 0.173 0.000 1.028 375 A HN 0.259 nan 8.150 nan 0.000 0.498 376 S N 2.236 117.986 115.700 0.082 0.000 2.579 376 S HA 0.788 5.258 4.470 -0.000 0.000 0.272 376 S C -0.817 173.758 174.600 -0.041 0.000 1.141 376 S CA -0.706 57.504 58.200 0.016 0.000 0.843 376 S CB 0.918 64.127 63.200 0.016 0.000 1.122 376 S HN 0.666 nan 8.310 nan 0.000 0.468 377 M N 2.913 122.425 119.600 -0.146 0.000 2.530 377 M HA 0.560 5.039 4.480 -0.000 0.000 0.307 377 M C -1.259 174.855 176.300 -0.311 0.000 1.161 377 M CA -0.510 54.617 55.300 -0.288 0.000 0.903 377 M CB 2.064 34.298 32.600 -0.610 0.000 1.711 377 M HN 0.523 nan 8.290 nan 0.000 0.451 378 I N 2.663 123.111 120.570 -0.204 0.000 2.354 378 I HA 0.333 4.503 4.170 -0.000 0.000 0.292 378 I C -0.638 175.385 176.117 -0.157 0.000 0.989 378 I CA -0.724 60.519 61.300 -0.095 0.000 1.188 378 I CB 0.892 38.964 38.000 0.120 0.000 1.342 378 I HN 0.521 nan 8.210 nan 0.000 0.457 379 H N 5.623 124.777 119.070 0.140 0.000 2.466 379 H HA 0.530 5.086 4.556 -0.000 0.000 0.338 379 H C -0.764 174.629 175.328 0.109 0.000 1.091 379 H CA -0.642 55.466 56.048 0.099 0.000 1.207 379 H CB 2.300 32.104 29.762 0.072 0.000 1.466 379 H HN 0.189 nan 8.280 nan 0.000 0.493 380 V N 3.226 123.222 119.914 0.135 0.000 2.495 380 V HA 0.256 4.375 4.120 -0.000 0.000 0.298 380 V C 0.044 176.084 176.094 -0.089 0.000 1.031 380 V CA -0.860 61.402 62.300 -0.063 0.000 0.871 380 V CB 1.980 33.708 31.823 -0.158 0.000 0.988 380 V HN 0.562 nan 8.190 nan 0.000 0.432 381 K N 3.218 123.527 120.400 -0.152 0.000 2.535 381 K HA 0.759 5.079 4.320 -0.000 0.000 0.253 381 K C -0.208 176.311 176.600 -0.135 0.000 0.953 381 K CA 0.657 56.881 56.287 -0.106 0.000 0.863 381 K CB 1.218 33.685 32.500 -0.055 0.000 1.111 381 K HN 1.277 nan 8.250 nan 0.000 0.431 382 G N 2.379 111.114 108.800 -0.109 0.000 2.408 382 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.682 382 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.682 382 G C -1.715 173.126 174.900 -0.098 0.000 1.303 382 G CA -0.933 44.111 45.100 -0.093 0.000 0.966 382 G HN 0.529 nan 8.290 nan 0.000 0.560 383 D N 0.282 120.649 120.400 -0.054 0.000 2.210 383 D HA 0.543 5.183 4.640 -0.000 0.000 0.249 383 D C 0.789 177.089 176.300 -0.001 0.000 1.078 383 D CA 0.352 54.334 54.000 -0.031 0.000 0.875 383 D CB 1.845 42.646 40.800 0.003 0.000 1.175 383 D HN 1.134 nan 8.370 nan 0.000 0.440 384 V N -0.090 119.812 119.914 -0.020 0.000 2.960 384 V HA 0.494 4.614 4.120 -0.000 0.000 0.315 384 V C 0.064 176.222 176.094 0.107 0.000 1.087 384 V CA -1.145 61.188 62.300 0.055 0.000 0.982 384 V CB 2.163 33.849 31.823 -0.229 0.000 1.039 384 V HN 0.387 nan 8.190 nan 0.000 0.437 385 N N 1.861 120.719 118.700 0.263 0.000 2.399 385 N HA 0.044 4.784 4.740 -0.000 0.000 0.259 385 N C 0.831 176.452 175.510 0.186 0.000 1.160 385 N CA 0.654 53.835 53.050 0.218 0.000 0.946 385 N CB 1.158 39.806 38.487 0.268 0.000 1.156 385 N HN 1.061 nan 8.380 nan 0.000 0.489 386 E N 3.228 123.489 120.200 0.102 0.000 2.110 386 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 386 E C 0.674 177.355 176.600 0.136 0.000 0.988 386 E CA 1.324 57.775 56.400 0.085 0.000 0.804 386 E CB 0.281 29.999 29.700 0.030 0.000 0.745 386 E HN 0.688 nan 8.360 nan 0.000 0.458 387 E N -0.526 119.751 120.200 0.128 0.000 2.072 387 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 387 E C 2.094 178.788 176.600 0.156 0.000 0.982 387 E CA 1.514 57.991 56.400 0.128 0.000 0.803 387 E CB 0.049 29.808 29.700 0.098 0.000 0.755 387 E HN 0.216 nan 8.360 nan 0.000 0.453 388 T N 0.783 115.455 114.554 0.198 0.000 2.777 388 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 388 T C 1.468 176.332 174.700 0.272 0.000 1.040 388 T CA 0.727 62.968 62.100 0.235 0.000 1.141 388 T CB -0.313 68.726 68.868 0.285 0.000 0.868 388 T HN 0.119 nan 8.240 nan 0.000 0.444 389 F N 2.477 122.471 119.950 0.074 0.000 2.134 389 F HA -0.113 4.414 4.527 -0.000 0.000 0.299 389 F C 2.260 178.014 175.800 -0.078 0.000 1.097 389 F CA 1.165 59.027 58.000 -0.229 0.000 1.264 389 F CB -0.281 38.386 39.000 -0.556 0.000 1.001 389 F HN 0.059 nan 8.300 nan 0.000 0.479 390 N N 0.323 119.154 118.700 0.218 0.000 2.223 390 N HA -0.185 4.555 4.740 -0.000 0.000 0.185 390 N C 1.728 177.355 175.510 0.194 0.000 1.016 390 N CA 1.399 54.601 53.050 0.253 0.000 0.863 390 N CB -0.210 38.441 38.487 0.273 0.000 0.983 390 N HN 0.263 nan 8.380 nan 0.000 0.429 391 E N 0.284 120.552 120.200 0.114 0.000 2.051 391 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 391 E C 1.925 178.530 176.600 0.008 0.000 0.991 391 E CA 1.167 57.605 56.400 0.063 0.000 0.799 391 E CB -0.630 29.099 29.700 0.048 0.000 0.748 391 E HN 0.468 nan 8.360 nan 0.000 0.449 392 A N 0.766 123.557 122.820 -0.048 0.000 1.908 392 A HA -0.228 4.091 4.320 -0.000 0.000 0.218 392 A C 2.171 179.701 177.584 -0.091 0.000 1.181 392 A CA 1.656 53.626 52.037 -0.111 0.000 0.627 392 A CB -0.952 17.890 19.000 -0.265 0.000 0.818 392 A HN 0.380 nan 8.150 nan 0.000 0.445 393 Y N 0.104 120.241 120.300 -0.272 0.000 2.097 393 Y HA -0.231 4.318 4.550 -0.000 0.000 0.282 393 Y C 2.366 178.254 175.900 -0.019 0.000 1.152 393 Y CA 2.347 60.356 58.100 -0.151 0.000 1.136 393 Y CB -0.278 38.139 38.460 -0.071 0.000 0.975 393 Y HN 0.269 nan 8.280 nan 0.000 0.498 394 M N -0.596 119.038 119.600 0.058 0.000 2.296 394 M HA -0.235 4.244 4.480 -0.000 0.000 0.265 394 M C 2.116 178.340 176.300 -0.127 0.000 1.064 394 M CA 1.564 56.840 55.300 -0.040 0.000 1.109 394 M CB -0.281 32.356 32.600 0.061 0.000 1.396 394 M HN 0.407 nan 8.290 nan 0.000 0.430 395 M N -1.136 118.376 119.600 -0.145 0.000 2.374 395 M HA -0.178 4.302 4.480 -0.000 0.000 0.264 395 M C 1.267 177.305 176.300 -0.437 0.000 1.067 395 M CA 1.173 56.305 55.300 -0.280 0.000 1.103 395 M CB -0.209 32.187 32.600 -0.341 0.000 1.402 395 M HN 0.281 nan 8.290 nan 0.000 0.444 396 H N -1.908 117.051 119.070 -0.186 0.000 2.893 396 H HA 0.270 4.826 4.556 -0.000 0.000 0.270 396 H C -0.041 175.152 175.328 -0.226 0.000 1.095 396 H CA 0.237 56.175 56.048 -0.184 0.000 1.186 396 H CB 0.633 30.285 29.762 -0.185 0.000 1.562 396 H HN 0.096 nan 8.280 nan 0.000 0.536 397 T N 1.180 115.604 114.554 -0.216 0.000 2.794 397 T HA 0.131 4.481 4.350 -0.000 0.000 0.280 397 T C 0.461 175.067 174.700 -0.156 0.000 0.987 397 T CA -0.300 61.639 62.100 -0.267 0.000 0.993 397 T CB 2.543 71.063 68.868 -0.580 0.000 0.939 397 T HN 0.081 nan 8.240 nan 0.000 0.449 398 T N 1.489 115.983 114.554 -0.100 0.000 2.903 398 T HA 0.079 4.429 4.350 -0.000 0.000 0.314 398 T C 1.665 176.334 174.700 -0.052 0.000 1.078 398 T CA 0.083 62.147 62.100 -0.059 0.000 1.114 398 T CB 0.306 69.160 68.868 -0.024 0.000 0.987 398 T HN 0.749 nan 8.240 nan 0.000 0.548 399 T N 0.921 115.452 114.554 -0.038 0.000 3.118 399 T HA 0.114 4.464 4.350 -0.000 0.000 0.260 399 T C 0.708 175.404 174.700 -0.006 0.000 1.139 399 T CA 0.021 62.103 62.100 -0.029 0.000 1.085 399 T CB 0.123 68.974 68.868 -0.028 0.000 0.934 399 T HN 0.386 nan 8.240 nan 0.000 0.518 400 S N 3.031 118.738 115.700 0.012 0.000 2.062 400 S HA 0.370 4.840 4.470 -0.000 0.000 0.163 400 S C -2.581 172.075 174.600 0.093 0.000 1.612 400 S CA -1.138 57.093 58.200 0.051 0.000 1.251 400 S CB 0.714 63.936 63.200 0.037 0.000 1.174 400 S HN 0.395 nan 8.310 nan 0.000 0.428 401 P HA 0.080 nan 4.420 nan 0.000 0.272 401 P C -0.556 176.887 177.300 0.240 0.000 1.223 401 P CA -0.262 62.904 63.100 0.110 0.000 0.784 401 P CB 0.432 32.139 31.700 0.011 0.000 0.923 402 H N 2.172 121.316 119.070 0.124 0.000 2.782 402 H HA 0.071 4.627 4.556 -0.000 0.000 0.285 402 H C 0.276 175.736 175.328 0.219 0.000 1.093 402 H CA 0.049 56.199 56.048 0.171 0.000 1.410 402 H CB 0.327 30.138 29.762 0.082 0.000 1.439 402 H HN 0.323 nan 8.280 nan 0.000 0.469 403 Y N 3.409 123.684 120.300 -0.043 0.000 2.352 403 Y HA -0.073 4.477 4.550 -0.000 0.000 0.292 403 Y C 2.496 178.471 175.900 0.125 0.000 1.136 403 Y CA 1.240 59.372 58.100 0.053 0.000 1.227 403 Y CB -0.247 38.221 38.460 0.013 0.000 0.991 403 Y HN 0.789 nan 8.280 nan 0.000 0.545 404 G N 0.127 109.072 108.800 0.243 0.000 2.421 404 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 404 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 404 G C 1.776 177.049 174.900 0.621 0.000 1.171 404 G CA 1.174 46.538 45.100 0.440 0.000 0.775 404 G HN 0.388 nan 8.290 nan 0.000 0.543 405 I N 0.328 121.289 120.570 0.652 0.000 2.163 405 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 405 I C 2.820 179.107 176.117 0.283 0.000 1.085 405 I CA 0.673 62.233 61.300 0.433 0.000 1.347 405 I CB -0.332 37.803 38.000 0.224 0.000 1.044 405 I HN 0.040 nan 8.210 nan 0.000 0.408 406 V N 1.036 121.078 119.914 0.212 0.000 2.255 406 V HA -0.331 3.789 4.120 -0.000 0.000 0.247 406 V C 2.731 178.858 176.094 0.055 0.000 1.051 406 V CA 2.124 64.480 62.300 0.093 0.000 1.018 406 V CB -1.115 30.704 31.823 -0.006 0.000 0.641 406 V HN 0.522 nan 8.190 nan 0.000 0.445 407 A N 0.721 123.588 122.820 0.080 0.000 1.940 407 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 407 A C 2.546 180.144 177.584 0.024 0.000 1.176 407 A CA 2.452 54.501 52.037 0.020 0.000 0.631 407 A CB -0.836 18.206 19.000 0.071 0.000 0.814 407 A HN 0.721 nan 8.150 nan 0.000 0.446 408 S N -1.013 114.746 115.700 0.097 0.000 2.419 408 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 408 S C 1.764 176.365 174.600 0.002 0.000 1.016 408 S CA 1.898 60.084 58.200 -0.023 0.000 0.974 408 S CB -1.000 62.100 63.200 -0.167 0.000 0.786 408 S HN 0.503 nan 8.310 nan 0.000 0.492 409 T N 1.786 116.367 114.554 0.045 0.000 2.812 409 T HA 0.005 4.355 4.350 -0.000 0.000 0.264 409 T C 1.765 176.490 174.700 0.042 0.000 1.042 409 T CA 1.335 63.462 62.100 0.045 0.000 1.140 409 T CB -0.337 68.559 68.868 0.047 0.000 0.870 409 T HN 0.626 nan 8.240 nan 0.000 0.445 410 E N 0.533 120.734 120.200 0.001 0.000 2.107 410 E HA -0.122 4.227 4.350 -0.000 0.000 0.191 410 E C 2.017 178.598 176.600 -0.031 0.000 0.982 410 E CA 1.086 57.469 56.400 -0.028 0.000 0.809 410 E CB -0.004 29.606 29.700 -0.149 0.000 0.756 410 E HN 0.347 nan 8.360 nan 0.000 0.459 411 T N 0.665 115.185 114.554 -0.057 0.000 2.867 411 T HA -0.071 4.278 4.350 -0.000 0.000 0.268 411 T C 1.810 176.522 174.700 0.020 0.000 1.057 411 T CA 0.996 63.065 62.100 -0.052 0.000 1.136 411 T CB -0.196 68.628 68.868 -0.073 0.000 0.874 411 T HN 0.304 nan 8.240 nan 0.000 0.466 412 A N 1.597 124.451 122.820 0.057 0.000 1.908 412 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 412 A C 2.639 180.339 177.584 0.194 0.000 1.181 412 A CA 1.975 54.081 52.037 0.116 0.000 0.627 412 A CB -1.128 17.968 19.000 0.159 0.000 0.818 412 A HN 0.518 nan 8.150 nan 0.000 0.445 413 A N -0.200 122.818 122.820 0.330 0.000 1.877 413 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 413 A C 2.546 180.282 177.584 0.253 0.000 1.186 413 A CA 2.237 54.542 52.037 0.447 0.000 0.620 413 A CB -1.140 18.254 19.000 0.655 0.000 0.822 413 A HN 1.148 nan 8.150 nan 0.000 0.443 414 A N -0.538 122.458 122.820 0.293 0.000 1.908 414 A HA -0.185 4.134 4.320 -0.000 0.000 0.218 414 A C 2.257 179.873 177.584 0.053 0.000 1.181 414 A CA 1.978 54.155 52.037 0.234 0.000 0.627 414 A CB -0.592 18.459 19.000 0.085 0.000 0.818 414 A HN 0.547 nan 8.150 nan 0.000 0.445 415 M N -1.391 118.208 119.600 -0.002 0.000 2.213 415 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 415 M C 1.560 177.763 176.300 -0.162 0.000 1.062 415 M CA 1.114 56.377 55.300 -0.061 0.000 1.105 415 M CB -0.237 32.333 32.600 -0.050 0.000 1.385 415 M HN 0.282 nan 8.290 nan 0.000 0.417 416 M N -0.255 119.166 119.600 -0.299 0.000 2.495 416 M HA 0.125 4.605 4.480 -0.000 0.000 0.237 416 M C 0.582 176.551 176.300 -0.552 0.000 1.131 416 M CA 0.410 55.303 55.300 -0.679 0.000 1.032 416 M CB -0.837 30.840 32.600 -1.538 0.000 1.513 416 M HN 0.059 nan 8.290 nan 0.000 0.488 417 K N 0.793 121.029 120.400 -0.275 0.000 2.237 417 K HA 0.383 4.703 4.320 -0.000 0.000 0.270 417 K C 0.857 177.392 176.600 -0.108 0.000 1.015 417 K CA 0.770 56.956 56.287 -0.168 0.000 0.949 417 K CB 0.662 33.100 32.500 -0.103 0.000 0.976 417 K HN 0.336 nan 8.250 nan 0.000 0.472 418 G N 2.984 111.741 108.800 -0.072 0.000 2.539 418 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.256 418 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.256 418 G C 0.401 175.282 174.900 -0.031 0.000 1.233 418 G CA 0.239 45.315 45.100 -0.039 0.000 0.936 418 G HN 0.719 nan 8.290 nan 0.000 0.571 419 N N 0.443 119.132 118.700 -0.019 0.000 2.207 419 N HA 0.162 4.902 4.740 -0.000 0.000 0.182 419 N C 2.679 178.179 175.510 -0.017 0.000 1.020 419 N CA 2.225 55.267 53.050 -0.013 0.000 0.858 419 N CB -0.768 37.716 38.487 -0.006 0.000 0.991 419 N HN 1.000 nan 8.380 nan 0.000 0.427 420 A N 0.367 123.177 122.820 -0.018 0.000 1.908 420 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 420 A C 2.282 179.837 177.584 -0.048 0.000 1.181 420 A CA 2.063 54.088 52.037 -0.020 0.000 0.627 420 A CB -1.161 17.835 19.000 -0.007 0.000 0.818 420 A HN 0.366 nan 8.150 nan 0.000 0.445 421 G N -0.735 108.013 108.800 -0.087 0.000 2.396 421 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.214 421 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.214 421 G C 1.652 176.493 174.900 -0.099 0.000 1.166 421 G CA 0.871 45.874 45.100 -0.161 0.000 0.793 421 G HN 0.550 nan 8.290 nan 0.000 0.533 422 K N 0.163 120.542 120.400 -0.036 0.000 2.103 422 K HA -0.046 4.274 4.320 -0.000 0.000 0.207 422 K C 2.691 179.297 176.600 0.010 0.000 1.048 422 K CA 0.891 57.190 56.287 0.021 0.000 0.930 422 K CB -0.120 32.396 32.500 0.025 0.000 0.716 422 K HN 0.160 nan 8.250 nan 0.000 0.444 423 R N 0.597 121.093 120.500 -0.007 0.000 2.092 423 R HA -0.037 4.302 4.340 -0.000 0.000 0.231 423 R C 2.319 178.617 176.300 -0.003 0.000 1.119 423 R CA 0.911 57.009 56.100 -0.004 0.000 0.970 423 R CB -0.265 30.032 30.300 -0.006 0.000 0.864 423 R HN 0.151 nan 8.270 nan 0.000 0.440 424 L N 0.116 121.329 121.223 -0.016 0.000 2.017 424 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 424 L C 2.129 178.998 176.870 -0.001 0.000 1.073 424 L CA 1.251 56.083 54.840 -0.014 0.000 0.745 424 L CB -0.306 41.730 42.059 -0.038 0.000 0.894 424 L HN 0.134 nan 8.230 nan 0.000 0.432 425 I N -0.234 120.343 120.570 0.012 0.000 2.286 425 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 425 I C 2.112 178.245 176.117 0.027 0.000 1.104 425 I CA 1.400 62.721 61.300 0.035 0.000 1.397 425 I CB -0.577 37.504 38.000 0.135 0.000 1.072 425 I HN 0.216 nan 8.210 nan 0.000 0.417 426 N N 0.338 119.055 118.700 0.028 0.000 2.094 426 N HA -0.195 4.545 4.740 -0.000 0.000 0.191 426 N C 2.021 177.537 175.510 0.011 0.000 1.023 426 N CA 1.225 54.282 53.050 0.012 0.000 0.857 426 N CB -0.413 38.078 38.487 0.007 0.000 1.013 426 N HN 0.480 nan 8.380 nan 0.000 0.426 427 G N 0.668 109.477 108.800 0.015 0.000 2.418 427 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 427 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 427 G C 1.686 176.609 174.900 0.039 0.000 1.158 427 G CA 1.219 46.334 45.100 0.025 0.000 0.771 427 G HN 0.450 nan 8.290 nan 0.000 0.545 428 S N 0.576 116.294 115.700 0.031 0.000 2.383 428 S HA -0.013 4.457 4.470 -0.000 0.000 0.227 428 S C 2.321 176.956 174.600 0.059 0.000 1.026 428 S CA 1.052 59.284 58.200 0.052 0.000 0.981 428 S CB -0.337 62.865 63.200 0.004 0.000 0.818 428 S HN 0.340 nan 8.310 nan 0.000 0.472 429 I N 2.013 122.594 120.570 0.018 0.000 2.252 429 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 429 I C 2.831 178.957 176.117 0.016 0.000 1.102 429 I CA 1.588 62.889 61.300 0.002 0.000 1.385 429 I CB -0.407 37.571 38.000 -0.037 0.000 1.064 429 I HN 0.332 nan 8.210 nan 0.000 0.414 430 E N 0.584 120.797 120.200 0.023 0.000 2.077 430 E HA -0.205 4.144 4.350 -0.000 0.000 0.193 430 E C 2.356 178.985 176.600 0.049 0.000 0.989 430 E CA 1.051 57.470 56.400 0.032 0.000 0.800 430 E CB -0.073 29.643 29.700 0.028 0.000 0.746 430 E HN 0.389 nan 8.360 nan 0.000 0.452 431 R N 0.406 120.952 120.500 0.077 0.000 2.096 431 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 431 R C 2.393 178.718 176.300 0.042 0.000 1.127 431 R CA 1.040 57.213 56.100 0.122 0.000 0.968 431 R CB -0.307 30.118 30.300 0.208 0.000 0.861 431 R HN 0.116 nan 8.270 nan 0.000 0.440 432 A N 1.399 124.197 122.820 -0.037 0.000 1.877 432 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 432 A C 2.160 179.645 177.584 -0.165 0.000 1.186 432 A CA 1.288 53.109 52.037 -0.361 0.000 0.620 432 A CB -0.495 18.435 19.000 -0.117 0.000 0.822 432 A HN 0.176 nan 8.150 nan 0.000 0.443 433 I N -0.549 120.022 120.570 0.002 0.000 2.252 433 I HA -0.257 3.912 4.170 -0.000 0.000 0.245 433 I C 2.531 178.665 176.117 0.028 0.000 1.102 433 I CA 1.766 63.110 61.300 0.074 0.000 1.385 433 I CB -0.266 37.814 38.000 0.133 0.000 1.064 433 I HN 0.414 nan 8.210 nan 0.000 0.414 434 K N 1.083 121.501 120.400 0.030 0.000 2.044 434 K HA -0.277 4.043 4.320 -0.000 0.000 0.210 434 K C 2.266 178.881 176.600 0.025 0.000 1.049 434 K CA 2.003 58.309 56.287 0.031 0.000 0.927 434 K CB -0.303 32.234 32.500 0.061 0.000 0.713 434 K HN 0.200 nan 8.250 nan 0.000 0.443 435 F N 1.476 121.341 119.950 -0.140 0.000 2.113 435 F HA -0.099 4.428 4.527 -0.000 0.000 0.297 435 F C 2.208 177.921 175.800 -0.145 0.000 1.103 435 F CA 1.329 59.234 58.000 -0.158 0.000 1.248 435 F CB -0.063 38.737 39.000 -0.333 0.000 0.999 435 F HN -0.036 nan 8.300 nan 0.000 0.475 436 R N 0.584 121.061 120.500 -0.038 0.000 2.096 436 R HA -0.205 4.135 4.340 -0.000 0.000 0.240 436 R C 2.231 178.435 176.300 -0.160 0.000 1.139 436 R CA 2.170 58.217 56.100 -0.090 0.000 0.952 436 R CB -0.454 29.822 30.300 -0.041 0.000 0.854 436 R HN 0.295 nan 8.270 nan 0.000 0.436 437 K N 0.550 120.875 120.400 -0.126 0.000 2.057 437 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 437 K C 2.035 178.551 176.600 -0.141 0.000 1.049 437 K CA 1.557 57.773 56.287 -0.119 0.000 0.931 437 K CB -0.060 32.394 32.500 -0.077 0.000 0.714 437 K HN 0.292 nan 8.250 nan 0.000 0.440 438 E N 0.561 120.651 120.200 -0.184 0.000 2.110 438 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 438 E C 1.973 178.438 176.600 -0.226 0.000 0.988 438 E CA 0.813 57.089 56.400 -0.207 0.000 0.804 438 E CB 0.024 29.582 29.700 -0.236 0.000 0.745 438 E HN 0.189 nan 8.360 nan 0.000 0.458 439 I N 1.322 121.714 120.570 -0.296 0.000 2.179 439 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 439 I C 2.073 178.195 176.117 0.009 0.000 1.088 439 I CA 1.312 62.552 61.300 -0.100 0.000 1.357 439 I CB -0.816 37.101 38.000 -0.139 0.000 1.051 439 I HN 0.048 nan 8.210 nan 0.000 0.409 440 K N 0.448 120.812 120.400 -0.061 0.000 2.097 440 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 440 K C 2.095 178.651 176.600 -0.074 0.000 1.049 440 K CA 0.962 57.220 56.287 -0.048 0.000 0.933 440 K CB -0.490 31.960 32.500 -0.082 0.000 0.717 440 K HN 0.338 nan 8.250 nan 0.000 0.442 441 R N 0.988 121.424 120.500 -0.107 0.000 2.073 441 R HA -0.038 4.302 4.340 -0.000 0.000 0.234 441 R C 2.385 178.572 176.300 -0.189 0.000 1.134 441 R CA 1.062 57.086 56.100 -0.127 0.000 0.952 441 R CB -0.285 29.942 30.300 -0.121 0.000 0.850 441 R HN 0.074 nan 8.270 nan 0.000 0.433 442 L N 0.395 121.457 121.223 -0.268 0.000 2.141 442 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 442 L C 2.888 179.358 176.870 -0.666 0.000 1.094 442 L CA 1.163 55.688 54.840 -0.526 0.000 0.763 442 L CB -0.380 41.239 42.059 -0.733 0.000 0.908 442 L HN 0.284 nan 8.230 nan 0.000 0.437 443 R N -0.412 119.890 120.500 -0.330 0.000 2.081 443 R HA -0.157 4.182 4.340 -0.000 0.000 0.235 443 R C 2.182 178.416 176.300 -0.110 0.000 1.131 443 R CA 1.955 58.006 56.100 -0.082 0.000 0.960 443 R CB -0.220 30.169 30.300 0.148 0.000 0.856 443 R HN 0.209 nan 8.270 nan 0.000 0.436 444 T N 0.601 115.088 114.554 -0.112 0.000 2.746 444 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 444 T C 1.295 175.921 174.700 -0.124 0.000 1.039 444 T CA 1.579 63.623 62.100 -0.094 0.000 1.142 444 T CB -0.051 68.769 68.868 -0.081 0.000 0.866 444 T HN 0.433 nan 8.240 nan 0.000 0.444 445 E N 0.545 120.639 120.200 -0.178 0.000 2.385 445 E HA 0.124 4.474 4.350 -0.000 0.000 0.194 445 E C 0.619 177.102 176.600 -0.195 0.000 1.013 445 E CA -0.059 56.239 56.400 -0.170 0.000 0.866 445 E CB 0.323 29.916 29.700 -0.179 0.000 0.832 445 E HN 0.257 nan 8.360 nan 0.000 0.500 446 S N 1.031 116.570 115.700 -0.267 0.000 2.652 446 S HA 0.091 4.561 4.470 -0.000 0.000 0.270 446 S C -0.208 174.285 174.600 -0.179 0.000 1.243 446 S CA -0.671 57.363 58.200 -0.278 0.000 0.999 446 S CB 1.033 63.948 63.200 -0.475 0.000 0.973 446 S HN 0.080 nan 8.310 nan 0.000 0.544 447 D N 0.409 120.716 120.400 -0.156 0.000 2.365 447 D HA 0.500 5.140 4.640 -0.000 0.000 0.237 447 D C 0.788 177.025 176.300 -0.105 0.000 1.190 447 D CA 1.184 55.120 54.000 -0.106 0.000 0.867 447 D CB -0.371 40.381 40.800 -0.081 0.000 1.050 447 D HN 0.726 nan 8.370 nan 0.000 0.491 448 G N 3.621 112.383 108.800 -0.064 0.000 2.542 448 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.235 448 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.235 448 G C 0.117 175.020 174.900 0.004 0.000 1.286 448 G CA -0.288 44.803 45.100 -0.015 0.000 0.904 448 G HN 0.728 nan 8.290 nan 0.000 0.577 449 W N 0.113 121.424 121.300 0.018 0.000 2.187 449 W HA 0.594 5.254 4.660 -0.000 0.000 0.348 449 W C -0.391 176.217 176.519 0.148 0.000 1.282 449 W CA -0.053 57.333 57.345 0.068 0.000 1.271 449 W CB -0.037 29.492 29.460 0.116 0.000 1.170 449 W HN 0.715 nan 8.180 nan 0.000 0.583 450 F N 1.449 121.396 119.950 -0.005 0.000 2.745 450 F HA 0.463 4.990 4.527 -0.000 0.000 0.316 450 F C -0.593 175.212 175.800 0.009 0.000 1.155 450 F CA -1.458 56.370 58.000 -0.286 0.000 0.937 450 F CB 1.064 39.938 39.000 -0.209 0.000 1.361 450 F HN 0.191 nan 8.300 nan 0.000 0.472 451 F N 2.014 121.625 119.950 -0.564 0.000 2.586 451 F HA 0.181 4.708 4.527 -0.000 0.000 0.344 451 F C 0.424 176.233 175.800 0.016 0.000 1.188 451 F CA 0.553 58.406 58.000 -0.246 0.000 1.359 451 F CB 0.121 38.841 39.000 -0.468 0.000 1.129 451 F HN 0.307 nan 8.300 nan 0.000 0.609 452 D N -0.432 120.112 120.400 0.239 0.000 2.450 452 D HA 0.598 5.238 4.640 -0.000 0.000 0.238 452 D C -1.415 174.989 176.300 0.174 0.000 1.020 452 D CA -0.364 53.750 54.000 0.190 0.000 1.010 452 D CB 2.159 43.054 40.800 0.159 0.000 1.342 452 D HN 0.130 nan 8.370 nan 0.000 0.530 453 V N 1.163 121.151 119.914 0.124 0.000 2.581 453 V HA 0.338 4.458 4.120 -0.000 0.000 0.303 453 V C -0.616 175.569 176.094 0.152 0.000 1.041 453 V CA -1.035 61.343 62.300 0.129 0.000 0.907 453 V CB 1.761 33.606 31.823 0.036 0.000 0.994 453 V HN 0.579 nan 8.190 nan 0.000 0.442 454 W N 6.486 127.801 121.300 0.025 0.000 2.422 454 W HA 0.570 5.230 4.660 -0.000 0.000 0.349 454 W C 0.151 176.684 176.519 0.022 0.000 1.062 454 W CA 0.012 57.422 57.345 0.107 0.000 1.497 454 W CB 0.065 29.595 29.460 0.118 0.000 1.407 454 W HN 0.806 nan 8.180 nan 0.000 0.393 455 Q N 4.564 124.025 119.800 -0.566 0.000 2.804 455 Q HA 0.467 4.807 4.340 -0.000 0.000 0.302 455 Q C -2.980 171.879 176.000 -1.902 0.000 0.885 455 Q CA -2.153 52.787 55.803 -1.437 0.000 0.759 455 Q CB 1.788 30.031 28.738 -0.825 0.000 1.465 455 Q HN -0.024 nan 8.270 nan 0.000 0.432 456 P HA -0.001 nan 4.420 nan 0.000 0.268 456 P C -0.206 176.584 177.300 -0.850 0.000 1.208 456 P CA 0.111 62.337 63.100 -1.457 0.000 0.777 456 P CB 0.394 31.535 31.700 -0.932 0.000 0.875 457 D N -0.419 119.620 120.400 -0.601 0.000 2.182 457 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 457 D C 0.149 176.011 176.300 -0.730 0.000 0.986 457 D CA 1.690 55.336 54.000 -0.589 0.000 0.847 457 D CB -0.377 40.074 40.800 -0.581 0.000 0.942 457 D HN 0.605 nan 8.370 nan 0.000 0.467 458 H N -0.885 118.003 119.070 -0.302 0.000 2.539 458 H HA 0.408 4.964 4.556 -0.000 0.000 0.332 458 H C 0.191 175.251 175.328 -0.446 0.000 1.031 458 H CA -0.615 55.264 56.048 -0.282 0.000 1.206 458 H CB 1.548 31.210 29.762 -0.167 0.000 1.446 458 H HN -0.089 nan 8.280 nan 0.000 0.496 459 I N -0.367 119.976 120.570 -0.380 0.000 3.207 459 I HA 0.227 4.397 4.170 -0.000 0.000 0.343 459 I C -0.103 175.968 176.117 -0.076 0.000 1.378 459 I CA -0.766 60.260 61.300 -0.457 0.000 1.004 459 I CB 0.154 37.609 38.000 -0.909 0.000 1.836 459 I HN 0.453 nan 8.210 nan 0.000 0.513 460 D N -0.296 120.097 120.400 -0.012 0.000 2.358 460 D HA -0.016 4.624 4.640 -0.000 0.000 0.241 460 D C 0.643 176.994 176.300 0.085 0.000 1.094 460 D CA 0.356 54.370 54.000 0.023 0.000 0.907 460 D CB 0.006 40.796 40.800 -0.017 0.000 0.893 460 D HN 0.379 nan 8.370 nan 0.000 0.528 461 T N -0.871 113.800 114.554 0.196 0.000 2.900 461 T HA 0.401 4.750 4.350 -0.000 0.000 0.295 461 T C -0.916 173.949 174.700 0.276 0.000 1.044 461 T CA -0.663 61.563 62.100 0.210 0.000 0.995 461 T CB 1.526 70.520 68.868 0.211 0.000 1.072 461 T HN -0.136 nan 8.240 nan 0.000 0.473 462 T N 5.130 119.732 114.554 0.080 0.000 2.811 462 T HA 0.508 4.858 4.350 -0.000 0.000 0.309 462 T C -0.314 174.255 174.700 -0.218 0.000 1.005 462 T CA -0.439 61.630 62.100 -0.051 0.000 0.955 462 T CB -0.225 68.610 68.868 -0.055 0.000 0.970 462 T HN 0.741 nan 8.240 nan 0.000 0.496 463 E N 0.211 120.117 120.200 -0.490 0.000 2.439 463 E HA 0.357 4.707 4.350 -0.000 0.000 0.279 463 E C -1.398 174.636 176.600 -0.943 0.000 1.077 463 E CA -1.122 54.943 56.400 -0.559 0.000 0.849 463 E CB 0.414 29.925 29.700 -0.315 0.000 1.408 463 E HN 0.309 nan 8.360 nan 0.000 0.457 464 C N 2.287 121.195 119.300 -0.652 0.000 2.289 464 C HA 0.276 4.736 4.460 -0.000 0.000 0.340 464 C C -0.069 174.793 174.990 -0.213 0.000 1.152 464 C CA -0.644 58.076 59.018 -0.497 0.000 1.650 464 C CB -1.526 26.062 27.740 -0.254 0.000 2.203 464 C HN 0.379 nan 8.230 nan 0.000 0.511 465 W N 4.757 126.108 121.300 0.084 0.000 2.322 465 W HA 0.193 4.853 4.660 -0.000 0.000 0.328 465 W C -2.045 174.601 176.519 0.212 0.000 1.395 465 W CA -2.118 55.287 57.345 0.100 0.000 1.267 465 W CB -0.381 29.072 29.460 -0.012 0.000 1.259 465 W HN 0.428 nan 8.180 nan 0.000 0.560 466 P HA 0.082 nan 4.420 nan 0.000 0.271 466 P C -0.429 177.004 177.300 0.221 0.000 1.216 466 P CA -0.226 63.016 63.100 0.236 0.000 0.776 466 P CB 0.739 32.551 31.700 0.188 0.000 0.881 467 L N 4.451 125.680 121.223 0.010 0.000 2.281 467 L HA 0.306 4.646 4.340 -0.000 0.000 0.285 467 L C 1.173 177.982 176.870 -0.102 0.000 1.074 467 L CA 0.463 55.250 54.840 -0.088 0.000 0.817 467 L CB 0.036 41.804 42.059 -0.484 0.000 1.168 467 L HN 0.243 nan 8.230 nan 0.000 0.434 468 R N 0.899 121.459 120.500 0.100 0.000 2.589 468 R HA 0.324 4.664 4.340 -0.000 0.000 0.293 468 R C 1.111 177.515 176.300 0.174 0.000 0.963 468 R CA -0.214 55.950 56.100 0.108 0.000 0.905 468 R CB 1.553 31.936 30.300 0.140 0.000 1.144 468 R HN 0.738 nan 8.270 nan 0.000 0.459 469 S N 0.272 116.026 115.700 0.090 0.000 2.442 469 S HA -0.168 4.302 4.470 -0.000 0.000 0.236 469 S C 1.077 175.720 174.600 0.072 0.000 1.007 469 S CA 1.455 59.712 58.200 0.095 0.000 0.965 469 S CB -0.197 63.031 63.200 0.047 0.000 0.773 469 S HN 0.776 nan 8.310 nan 0.000 0.504 470 D N 0.852 121.292 120.400 0.067 0.000 2.328 470 D HA 0.162 4.802 4.640 -0.000 0.000 0.226 470 D C -0.180 176.141 176.300 0.034 0.000 1.066 470 D CA -0.162 53.863 54.000 0.042 0.000 0.861 470 D CB -0.205 40.620 40.800 0.042 0.000 0.912 470 D HN 0.284 nan 8.370 nan 0.000 0.521 471 S N -0.934 114.787 115.700 0.036 0.000 2.513 471 S HA 0.387 4.857 4.470 -0.000 0.000 0.299 471 S C 0.983 175.426 174.600 -0.261 0.000 1.087 471 S CA -0.534 57.661 58.200 -0.007 0.000 1.012 471 S CB 1.852 65.154 63.200 0.171 0.000 1.044 471 S HN 0.302 nan 8.310 nan 0.000 0.485 472 T N -1.290 113.143 114.554 -0.203 0.000 3.065 472 T HA -0.010 4.340 4.350 -0.000 0.000 0.252 472 T C 1.711 176.170 174.700 -0.402 0.000 1.099 472 T CA -0.163 61.761 62.100 -0.294 0.000 1.063 472 T CB -0.262 68.531 68.868 -0.124 0.000 0.948 472 T HN 0.858 nan 8.240 nan 0.000 0.506 473 W N 3.640 124.721 121.300 -0.365 0.000 2.363 473 W HA -0.180 4.480 4.660 -0.000 0.000 0.296 473 W C 1.851 178.221 176.519 -0.250 0.000 1.212 473 W CA 1.189 58.380 57.345 -0.256 0.000 1.260 473 W CB -1.207 28.098 29.460 -0.259 0.000 1.131 473 W HN 0.577 nan 8.180 nan 0.000 0.530 474 H N -0.601 117.772 119.070 -1.162 0.000 2.535 474 H HA 0.222 4.777 4.556 -0.000 0.000 0.273 474 H C 1.986 177.007 175.328 -0.512 0.000 0.983 474 H CA 0.978 56.296 56.048 -1.217 0.000 1.238 474 H CB -0.851 27.884 29.762 -1.710 0.000 1.412 474 H HN 0.209 nan 8.280 nan 0.000 0.562 475 G N 0.863 109.383 108.800 -0.468 0.000 2.168 475 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.263 475 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.263 475 G C -0.236 174.495 174.900 -0.282 0.000 0.977 475 G CA 0.305 45.218 45.100 -0.312 0.000 0.659 475 G HN 0.424 nan 8.290 nan 0.000 0.533 476 F N 1.118 121.219 119.950 0.252 0.000 2.405 476 F HA 0.509 5.036 4.527 -0.000 0.000 0.355 476 F C 0.971 176.847 175.800 0.127 0.000 1.121 476 F CA -0.683 57.430 58.000 0.188 0.000 1.112 476 F CB 1.182 40.259 39.000 0.129 0.000 1.126 476 F HN -0.158 nan 8.300 nan 0.000 0.481 477 K N 2.817 123.351 120.400 0.222 0.000 2.174 477 K HA 0.156 4.476 4.320 -0.000 0.000 0.275 477 K C 0.129 176.804 176.600 0.124 0.000 1.015 477 K CA -0.535 55.825 56.287 0.122 0.000 0.933 477 K CB 0.479 33.014 32.500 0.059 0.000 1.025 477 K HN 0.600 nan 8.250 nan 0.000 0.463 478 N N 1.559 120.311 118.700 0.087 0.000 2.716 478 N HA -0.257 4.483 4.740 -0.000 0.000 0.250 478 N C -0.320 175.223 175.510 0.056 0.000 1.033 478 N CA 0.653 53.739 53.050 0.061 0.000 0.727 478 N CB -1.181 37.334 38.487 0.047 0.000 0.950 478 N HN 0.622 nan 8.380 nan 0.000 0.541 479 I N 0.682 121.297 120.570 0.075 0.000 2.752 479 I HA -0.084 4.086 4.170 -0.000 0.000 0.287 479 I C 0.580 176.675 176.117 -0.036 0.000 1.188 479 I CA 0.173 61.479 61.300 0.010 0.000 1.427 479 I CB 0.477 38.449 38.000 -0.047 0.000 1.365 479 I HN 0.051 nan 8.210 nan 0.000 0.585 480 D N 6.768 127.122 120.400 -0.076 0.000 2.455 480 D HA 0.046 4.686 4.640 -0.000 0.000 0.241 480 D C -0.213 176.022 176.300 -0.109 0.000 1.138 480 D CA 0.242 54.164 54.000 -0.130 0.000 0.877 480 D CB 0.410 41.034 40.800 -0.294 0.000 1.187 480 D HN 0.450 nan 8.370 nan 0.000 0.451 481 N N 1.183 119.825 118.700 -0.098 0.000 2.463 481 N HA 0.022 4.762 4.740 -0.000 0.000 0.270 481 N C 0.153 175.603 175.510 -0.100 0.000 1.205 481 N CA -0.169 52.831 53.050 -0.084 0.000 0.974 481 N CB 0.649 39.112 38.487 -0.039 0.000 1.197 481 N HN 0.374 nan 8.380 nan 0.000 0.504 482 E N -0.599 119.541 120.200 -0.100 0.000 2.360 482 E HA -0.299 4.051 4.350 -0.000 0.000 0.238 482 E C -0.239 176.298 176.600 -0.105 0.000 1.186 482 E CA 0.569 56.924 56.400 -0.075 0.000 0.719 482 E CB -0.993 28.720 29.700 0.023 0.000 1.236 482 E HN 0.601 nan 8.360 nan 0.000 0.386 483 H N -1.056 117.766 119.070 -0.414 0.000 2.176 483 H HA 0.288 4.844 4.556 -0.000 0.000 0.228 483 H C 0.257 175.297 175.328 -0.481 0.000 0.879 483 H CA 0.700 56.530 56.048 -0.363 0.000 1.027 483 H CB 0.650 30.226 29.762 -0.310 0.000 1.356 483 H HN -0.004 nan 8.280 nan 0.000 0.425 484 M N 0.812 119.994 119.600 -0.695 0.000 2.578 484 M HA 0.338 4.817 4.480 -0.000 0.000 0.321 484 M C -1.410 174.443 176.300 -0.745 0.000 1.182 484 M CA -0.676 54.212 55.300 -0.687 0.000 0.965 484 M CB 1.490 33.770 32.600 -0.534 0.000 1.694 484 M HN 0.192 nan 8.290 nan 0.000 0.461 485 Y N 0.704 120.959 120.300 -0.076 0.000 2.534 485 Y HA 0.595 5.145 4.550 -0.000 0.000 0.345 485 Y C -0.734 175.223 175.900 0.094 0.000 1.031 485 Y CA -1.139 56.980 58.100 0.032 0.000 1.022 485 Y CB 1.607 40.065 38.460 -0.003 0.000 1.292 485 Y HN 0.547 nan 8.280 nan 0.000 0.459 486 L N 3.285 124.714 121.223 0.343 0.000 2.265 486 L HA 0.417 4.756 4.340 -0.000 0.000 0.288 486 L C -0.317 176.672 176.870 0.199 0.000 1.058 486 L CA -0.262 54.784 54.840 0.344 0.000 0.809 486 L CB 0.535 42.882 42.059 0.480 0.000 1.179 486 L HN 0.610 nan 8.230 nan 0.000 0.429 487 D N 6.987 127.526 120.400 0.232 0.000 2.358 487 D HA 0.146 4.786 4.640 -0.000 0.000 0.258 487 D C -1.787 174.600 176.300 0.146 0.000 1.223 487 D CA -1.828 52.301 54.000 0.214 0.000 0.886 487 D CB 1.704 42.715 40.800 0.351 0.000 1.120 487 D HN 0.399 nan 8.370 nan 0.000 0.482 488 P HA -0.144 nan 4.420 nan 0.000 0.217 488 P C 1.459 178.838 177.300 0.131 0.000 1.148 488 P CA 1.067 64.148 63.100 -0.031 0.000 0.828 488 P CB -0.100 31.449 31.700 -0.252 0.000 0.783 489 I N -4.859 115.800 120.570 0.149 0.000 3.111 489 I HA 0.082 4.252 4.170 -0.000 0.000 0.272 489 I C 0.117 176.394 176.117 0.267 0.000 1.268 489 I CA 0.768 62.177 61.300 0.181 0.000 1.467 489 I CB -0.313 37.748 38.000 0.102 0.000 1.087 489 I HN -0.332 nan 8.210 nan 0.000 0.467 490 K N 2.781 123.342 120.400 0.270 0.000 2.257 490 K HA 0.419 4.739 4.320 -0.000 0.000 0.270 490 K C -0.886 175.893 176.600 0.298 0.000 1.098 490 K CA -0.474 55.976 56.287 0.271 0.000 0.943 490 K CB 1.437 34.084 32.500 0.246 0.000 1.316 490 K HN 0.018 nan 8.250 nan 0.000 0.447 491 V N 3.222 123.335 119.914 0.331 0.000 2.348 491 V HA 0.177 4.297 4.120 -0.000 0.000 0.270 491 V C 0.249 176.561 176.094 0.364 0.000 1.037 491 V CA -0.466 62.041 62.300 0.344 0.000 0.872 491 V CB 1.205 33.213 31.823 0.307 0.000 1.002 491 V HN 0.546 nan 8.190 nan 0.000 0.464 492 T N 7.284 122.040 114.554 0.336 0.000 2.749 492 T HA 0.571 4.921 4.350 -0.000 0.000 0.287 492 T C -0.136 174.720 174.700 0.259 0.000 0.970 492 T CA -0.217 62.026 62.100 0.237 0.000 0.980 492 T CB 0.555 69.535 68.868 0.187 0.000 0.924 492 T HN 0.324 nan 8.240 nan 0.000 0.456 493 L N 3.939 125.303 121.223 0.236 0.000 2.360 493 L HA 0.622 4.962 4.340 -0.000 0.000 0.271 493 L C -0.392 176.546 176.870 0.112 0.000 1.057 493 L CA -1.033 53.940 54.840 0.222 0.000 0.803 493 L CB 1.154 43.373 42.059 0.268 0.000 1.207 493 L HN 0.368 nan 8.230 nan 0.000 0.445 494 L N 1.493 122.795 121.223 0.133 0.000 2.341 494 L HA 0.508 4.848 4.340 -0.000 0.000 0.278 494 L C 0.142 177.115 176.870 0.171 0.000 1.005 494 L CA -0.574 54.295 54.840 0.048 0.000 0.818 494 L CB 2.123 44.167 42.059 -0.025 0.000 1.259 494 L HN 0.641 nan 8.230 nan 0.000 0.418 495 T N -0.233 114.412 114.554 0.152 0.000 2.929 495 T HA 0.577 4.927 4.350 -0.000 0.000 0.284 495 T C -2.625 172.076 174.700 0.002 0.000 1.014 495 T CA -2.232 59.909 62.100 0.069 0.000 1.051 495 T CB 1.488 70.372 68.868 0.027 0.000 1.028 495 T HN 0.191 nan 8.240 nan 0.000 0.485 496 P HA 0.396 nan 4.420 nan 0.000 0.266 496 P C 0.923 177.974 177.300 -0.415 0.000 1.195 496 P CA 0.476 63.417 63.100 -0.265 0.000 0.768 496 P CB 0.521 31.978 31.700 -0.404 0.000 0.838 497 G N 0.876 109.390 108.800 -0.476 0.000 3.468 497 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.219 497 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.219 497 G C -0.205 174.328 174.900 -0.612 0.000 0.968 497 G CA -0.290 44.367 45.100 -0.739 0.000 0.851 497 G HN 0.418 nan 8.290 nan 0.000 0.524 498 M N 1.211 120.502 119.600 -0.516 0.000 2.530 498 M HA 0.564 5.044 4.480 -0.000 0.000 0.307 498 M C -0.595 175.589 176.300 -0.192 0.000 1.161 498 M CA -0.842 54.235 55.300 -0.372 0.000 0.903 498 M CB 2.365 34.653 32.600 -0.521 0.000 1.711 498 M HN -0.039 nan 8.290 nan 0.000 0.451 499 E N 0.994 121.090 120.200 -0.173 0.000 2.561 499 E HA 0.302 4.652 4.350 -0.000 0.000 0.254 499 E C 0.248 176.793 176.600 -0.092 0.000 1.213 499 E CA -0.258 56.084 56.400 -0.095 0.000 0.995 499 E CB 0.808 30.460 29.700 -0.080 0.000 1.233 499 E HN 0.503 nan 8.360 nan 0.000 0.556 500 K N 0.326 120.698 120.400 -0.046 0.000 2.057 500 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 500 K C 1.273 177.822 176.600 -0.085 0.000 1.049 500 K CA 1.370 57.634 56.287 -0.038 0.000 0.931 500 K CB -0.025 32.464 32.500 -0.019 0.000 0.714 500 K HN 0.298 nan 8.250 nan 0.000 0.440 501 D N -0.455 119.890 120.400 -0.092 0.000 2.203 501 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 501 D C 1.279 177.486 176.300 -0.154 0.000 0.997 501 D CA 1.682 55.617 54.000 -0.109 0.000 0.863 501 D CB -0.254 40.487 40.800 -0.097 0.000 0.928 501 D HN 0.488 nan 8.370 nan 0.000 0.458 502 G N -0.560 108.121 108.800 -0.199 0.000 2.176 502 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.253 502 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.253 502 G C 0.608 175.372 174.900 -0.227 0.000 0.979 502 G CA 0.860 45.801 45.100 -0.264 0.000 0.641 502 G HN 0.606 nan 8.290 nan 0.000 0.530 503 T N -1.389 113.059 114.554 -0.175 0.000 2.862 503 T HA 0.764 5.113 4.350 -0.000 0.000 0.276 503 T C 0.571 175.185 174.700 -0.144 0.000 0.974 503 T CA -0.748 61.269 62.100 -0.137 0.000 0.966 503 T CB 1.427 70.236 68.868 -0.097 0.000 1.072 503 T HN 0.098 nan 8.240 nan 0.000 0.538 504 M N 1.886 121.422 119.600 -0.107 0.000 2.264 504 M HA 0.415 4.895 4.480 -0.000 0.000 0.352 504 M C 0.148 176.424 176.300 -0.040 0.000 1.173 504 M CA -0.529 54.715 55.300 -0.093 0.000 1.075 504 M CB 1.050 33.602 32.600 -0.080 0.000 1.621 504 M HN 0.732 nan 8.290 nan 0.000 0.457 505 S N 1.259 116.948 115.700 -0.018 0.000 2.632 505 S HA 0.108 4.578 4.470 -0.000 0.000 0.271 505 S C 0.885 175.570 174.600 0.142 0.000 1.260 505 S CA -0.652 57.561 58.200 0.021 0.000 1.010 505 S CB 1.159 64.330 63.200 -0.049 0.000 0.965 505 S HN 0.718 nan 8.310 nan 0.000 0.534 506 D N 0.130 120.604 120.400 0.123 0.000 2.117 506 D HA -0.060 4.580 4.640 -0.000 0.000 0.198 506 D C 0.091 176.518 176.300 0.211 0.000 0.982 506 D CA 0.826 54.927 54.000 0.167 0.000 0.828 506 D CB 0.060 40.930 40.800 0.118 0.000 0.967 506 D HN 0.373 nan 8.370 nan 0.000 0.464 507 F N 0.235 120.152 119.950 -0.054 0.000 2.404 507 F HA 0.591 5.117 4.527 -0.000 0.000 0.345 507 F C 0.246 175.751 175.800 -0.491 0.000 1.110 507 F CA -0.343 57.548 58.000 -0.182 0.000 1.130 507 F CB 1.368 40.288 39.000 -0.134 0.000 1.129 507 F HN -0.070 nan 8.300 nan 0.000 0.500 508 G N 6.248 114.180 108.800 -1.446 0.000 2.696 508 G HA2 0.606 4.566 3.960 -0.000 0.000 0.295 508 G HA3 0.606 4.566 3.960 -0.000 0.000 0.295 508 G C -1.904 172.341 174.900 -1.093 0.000 1.398 508 G CA -0.776 43.389 45.100 -1.558 0.000 0.920 508 G HN 0.656 nan 8.290 nan 0.000 0.492 509 I N 2.085 122.191 120.570 -0.772 0.000 2.495 509 I HA 0.243 4.413 4.170 -0.000 0.000 0.277 509 I C -2.470 173.516 176.117 -0.219 0.000 1.045 509 I CA -1.970 59.013 61.300 -0.529 0.000 1.135 509 I CB 2.547 40.047 38.000 -0.833 0.000 1.241 509 I HN 0.121 nan 8.210 nan 0.000 0.469 510 P HA -0.022 nan 4.420 nan 0.000 0.264 510 P C 0.728 177.913 177.300 -0.191 0.000 1.183 510 P CA 0.211 63.130 63.100 -0.303 0.000 0.763 510 P CB 1.009 32.562 31.700 -0.244 0.000 0.807 511 A N 3.291 125.980 122.820 -0.218 0.000 2.070 511 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 511 A C 2.125 179.682 177.584 -0.045 0.000 1.159 511 A CA 1.985 53.959 52.037 -0.105 0.000 0.656 511 A CB -1.531 17.411 19.000 -0.096 0.000 0.800 511 A HN 0.605 nan 8.150 nan 0.000 0.453 512 S N 0.363 116.063 115.700 0.000 0.000 2.387 512 S HA -0.189 4.280 4.470 -0.000 0.000 0.230 512 S C 1.787 176.512 174.600 0.207 0.000 1.035 512 S CA 1.579 59.849 58.200 0.117 0.000 1.014 512 S CB -0.776 62.586 63.200 0.271 0.000 0.836 512 S HN 0.533 nan 8.310 nan 0.000 0.466 513 I N 1.288 121.999 120.570 0.236 0.000 2.252 513 I HA -0.102 4.067 4.170 -0.000 0.000 0.245 513 I C 2.431 178.690 176.117 0.238 0.000 1.102 513 I CA 0.884 62.374 61.300 0.317 0.000 1.385 513 I CB -0.473 37.714 38.000 0.312 0.000 1.064 513 I HN 0.206 nan 8.210 nan 0.000 0.414 514 V N 1.174 121.066 119.914 -0.036 0.000 2.343 514 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 514 V C 2.768 178.898 176.094 0.060 0.000 1.051 514 V CA 1.954 64.101 62.300 -0.255 0.000 1.036 514 V CB -1.132 30.461 31.823 -0.383 0.000 0.654 514 V HN 0.484 nan 8.190 nan 0.000 0.451 515 A N -0.222 122.630 122.820 0.053 0.000 1.908 515 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 515 A C 2.319 179.961 177.584 0.096 0.000 1.181 515 A CA 2.107 54.181 52.037 0.061 0.000 0.627 515 A CB -0.464 18.535 19.000 -0.003 0.000 0.818 515 A HN 0.544 nan 8.150 nan 0.000 0.445 516 K N -1.888 118.581 120.400 0.114 0.000 2.057 516 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 516 K C 1.980 178.697 176.600 0.195 0.000 1.049 516 K CA 1.715 58.067 56.287 0.108 0.000 0.931 516 K CB -0.390 32.166 32.500 0.094 0.000 0.714 516 K HN 0.610 nan 8.250 nan 0.000 0.440 517 Y N 1.820 122.256 120.300 0.226 0.000 2.128 517 Y HA -0.229 4.321 4.550 -0.000 0.000 0.284 517 Y C 1.823 177.918 175.900 0.325 0.000 1.154 517 Y CA 1.465 59.770 58.100 0.341 0.000 1.149 517 Y CB -0.238 38.568 38.460 0.576 0.000 0.976 517 Y HN -0.052 nan 8.280 nan 0.000 0.505 518 L N -0.212 121.189 121.223 0.297 0.000 2.083 518 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 518 L C 2.100 179.026 176.870 0.093 0.000 1.083 518 L CA 1.876 56.838 54.840 0.203 0.000 0.752 518 L CB -0.608 41.584 42.059 0.221 0.000 0.899 518 L HN 0.227 nan 8.230 nan 0.000 0.433 519 D N -0.336 120.098 120.400 0.057 0.000 2.219 519 D HA -0.181 4.459 4.640 -0.000 0.000 0.205 519 D C 2.083 178.341 176.300 -0.069 0.000 0.970 519 D CA 0.647 54.649 54.000 0.004 0.000 0.851 519 D CB 0.213 41.012 40.800 -0.002 0.000 0.943 519 D HN 0.169 nan 8.370 nan 0.000 0.488 520 E N -0.340 119.775 120.200 -0.142 0.000 2.160 520 E HA -0.185 4.164 4.350 -0.000 0.000 0.195 520 E C 0.873 177.149 176.600 -0.541 0.000 0.991 520 E CA 1.048 57.242 56.400 -0.343 0.000 0.810 520 E CB -0.277 29.133 29.700 -0.484 0.000 0.742 520 E HN 0.628 nan 8.360 nan 0.000 0.466 521 H N -1.179 117.802 119.070 -0.149 0.000 2.507 521 H HA 0.298 4.854 4.556 -0.000 0.000 0.294 521 H C 1.015 176.318 175.328 -0.042 0.000 1.064 521 H CA 0.401 56.388 56.048 -0.101 0.000 1.138 521 H CB 0.654 30.335 29.762 -0.134 0.000 1.515 521 H HN 0.244 nan 8.280 nan 0.000 0.547 522 G N 0.968 109.769 108.800 0.002 0.000 2.153 522 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.252 522 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.252 522 G C 0.096 175.020 174.900 0.040 0.000 0.994 522 G CA 0.193 45.303 45.100 0.016 0.000 0.698 522 G HN 0.410 nan 8.290 nan 0.000 0.521 523 I N 0.950 121.558 120.570 0.064 0.000 2.312 523 I HA 0.357 4.527 4.170 -0.000 0.000 0.290 523 I C 0.592 176.766 176.117 0.094 0.000 1.008 523 I CA -0.978 60.372 61.300 0.084 0.000 1.226 523 I CB 1.704 39.769 38.000 0.108 0.000 1.371 523 I HN -0.128 nan 8.210 nan 0.000 0.468 524 V N 7.664 127.626 119.914 0.080 0.000 2.498 524 V HA 0.149 4.269 4.120 -0.000 0.000 0.279 524 V C 0.255 176.377 176.094 0.046 0.000 1.048 524 V CA -0.509 61.823 62.300 0.053 0.000 0.967 524 V CB 1.595 33.443 31.823 0.042 0.000 0.988 524 V HN 0.359 nan 8.190 nan 0.000 0.473 525 V N 4.806 124.705 119.914 -0.026 0.000 2.385 525 V HA 0.167 4.287 4.120 -0.000 0.000 0.269 525 V C 1.184 177.164 176.094 -0.190 0.000 1.043 525 V CA -0.132 62.050 62.300 -0.198 0.000 0.906 525 V CB 1.141 32.831 31.823 -0.221 0.000 0.995 525 V HN 1.027 nan 8.190 nan 0.000 0.467 526 E N 4.791 124.852 120.200 -0.232 0.000 2.049 526 E HA -0.156 4.194 4.350 -0.000 0.000 0.198 526 E C 0.893 177.383 176.600 -0.183 0.000 1.007 526 E CA 1.711 58.038 56.400 -0.122 0.000 0.809 526 E CB 0.180 29.819 29.700 -0.102 0.000 0.749 526 E HN 0.657 nan 8.360 nan 0.000 0.450 527 K N -1.162 119.025 120.400 -0.355 0.000 2.498 527 K HA 0.337 4.657 4.320 -0.000 0.000 0.254 527 K C -1.609 174.791 176.600 -0.334 0.000 0.933 527 K CA -0.463 55.586 56.287 -0.397 0.000 0.806 527 K CB 1.962 33.992 32.500 -0.784 0.000 1.301 527 K HN 0.043 nan 8.250 nan 0.000 0.432 528 T N 1.397 115.817 114.554 -0.223 0.000 2.893 528 T HA 0.734 5.084 4.350 -0.000 0.000 0.293 528 T C -0.513 174.111 174.700 -0.126 0.000 1.027 528 T CA -0.397 61.595 62.100 -0.180 0.000 0.988 528 T CB 1.384 70.172 68.868 -0.134 0.000 1.043 528 T HN 0.730 nan 8.240 nan 0.000 0.461 529 G N 3.126 111.849 108.800 -0.127 0.000 3.108 529 G HA2 0.605 4.565 3.960 -0.000 0.000 0.268 529 G HA3 0.605 4.565 3.960 -0.000 0.000 0.268 529 G C -1.928 172.915 174.900 -0.094 0.000 1.361 529 G CA -1.477 43.575 45.100 -0.081 0.000 1.047 529 G HN 0.497 nan 8.290 nan 0.000 0.540 530 P HA -0.110 nan 4.420 nan 0.000 0.216 530 P C 0.065 176.976 177.300 -0.648 0.000 1.157 530 P CA 1.646 64.558 63.100 -0.313 0.000 0.880 530 P CB -0.001 31.620 31.700 -0.132 0.000 0.791 531 Y N -2.063 118.281 120.300 0.074 0.000 2.738 531 Y HA 0.237 4.787 4.550 -0.000 0.000 0.249 531 Y C 0.641 176.513 175.900 -0.046 0.000 1.153 531 Y CA -0.811 57.323 58.100 0.058 0.000 1.165 531 Y CB -0.081 38.490 38.460 0.185 0.000 1.235 531 Y HN 0.015 nan 8.280 nan 0.000 0.559 532 N N 0.409 119.085 118.700 -0.040 0.000 2.262 532 N HA 0.650 5.390 4.740 -0.000 0.000 0.295 532 N C -1.534 173.882 175.510 -0.155 0.000 1.161 532 N CA -0.622 52.333 53.050 -0.158 0.000 0.767 532 N CB 2.574 40.866 38.487 -0.325 0.000 1.499 532 N HN 0.112 nan 8.380 nan 0.000 0.476 533 L N 0.505 121.636 121.223 -0.152 0.000 2.431 533 L HA 0.499 4.839 4.340 -0.000 0.000 0.266 533 L C -1.096 175.551 176.870 -0.371 0.000 0.978 533 L CA -0.955 53.720 54.840 -0.275 0.000 0.822 533 L CB 2.197 44.144 42.059 -0.187 0.000 1.310 533 L HN 0.459 nan 8.230 nan 0.000 0.409 534 L N 2.782 123.662 121.223 -0.571 0.000 2.307 534 L HA 0.671 5.011 4.340 -0.000 0.000 0.284 534 L C -1.444 174.989 176.870 -0.728 0.000 1.023 534 L CA 0.169 54.736 54.840 -0.454 0.000 0.810 534 L CB 1.058 42.885 42.059 -0.388 0.000 1.231 534 L HN 0.287 nan 8.230 nan 0.000 0.423 535 F N 5.236 125.210 119.950 0.039 0.000 2.529 535 F HA 0.503 5.030 4.527 -0.000 0.000 0.320 535 F C -0.495 175.375 175.800 0.116 0.000 1.118 535 F CA -0.683 57.340 58.000 0.037 0.000 0.915 535 F CB 1.649 40.686 39.000 0.061 0.000 1.161 535 F HN 0.168 nan 8.300 nan 0.000 0.445 536 L N 4.116 125.440 121.223 0.169 0.000 2.255 536 L HA 0.316 4.656 4.340 -0.000 0.000 0.289 536 L C -0.703 176.209 176.870 0.070 0.000 1.046 536 L CA -0.407 54.533 54.840 0.166 0.000 0.816 536 L CB 0.582 42.718 42.059 0.129 0.000 1.197 536 L HN 0.588 nan 8.230 nan 0.000 0.427 537 F N 2.019 122.000 119.950 0.050 0.000 2.606 537 F HA 0.102 4.629 4.527 -0.000 0.000 0.347 537 F C 1.385 177.182 175.800 -0.005 0.000 1.207 537 F CA -0.382 57.618 58.000 -0.000 0.000 1.306 537 F CB 0.038 39.029 39.000 -0.015 0.000 1.657 537 F HN 0.489 nan 8.300 nan 0.000 0.606 538 S N 0.453 116.181 115.700 0.047 0.000 2.652 538 S HA 0.284 4.754 4.470 -0.000 0.000 0.267 538 S C 1.605 176.218 174.600 0.021 0.000 1.201 538 S CA -0.554 57.672 58.200 0.043 0.000 0.996 538 S CB 0.612 63.860 63.200 0.081 0.000 1.054 538 S HN 0.499 nan 8.310 nan 0.000 0.561 539 I N -2.049 118.534 120.570 0.022 0.000 2.761 539 I HA 0.225 4.394 4.170 -0.000 0.000 0.261 539 I C 2.130 178.257 176.117 0.017 0.000 1.198 539 I CA 0.851 62.162 61.300 0.018 0.000 1.482 539 I CB -1.298 36.715 38.000 0.022 0.000 1.100 539 I HN 0.698 nan 8.210 nan 0.000 0.445 540 G N 2.635 111.447 108.800 0.021 0.000 2.517 540 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.222 540 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.222 540 G C 0.884 175.770 174.900 -0.023 0.000 1.109 540 G CA 0.463 45.567 45.100 0.005 0.000 0.746 540 G HN 0.325 nan 8.290 nan 0.000 0.576 541 I N 2.277 122.815 120.570 -0.054 0.000 2.312 541 I HA 0.257 4.426 4.170 -0.000 0.000 0.291 541 I C -0.230 175.856 176.117 -0.053 0.000 1.031 541 I CA -1.321 59.908 61.300 -0.118 0.000 1.293 541 I CB 0.612 38.432 38.000 -0.300 0.000 1.403 541 I HN 0.255 nan 8.210 nan 0.000 0.484 542 D N 5.605 125.984 120.400 -0.034 0.000 2.569 542 D HA 0.304 4.944 4.640 -0.000 0.000 0.266 542 D C 1.001 177.315 176.300 0.023 0.000 1.164 542 D CA -0.719 53.285 54.000 0.007 0.000 1.071 542 D CB 0.849 41.654 40.800 0.008 0.000 1.183 542 D HN 0.453 nan 8.370 nan 0.000 0.613 543 K N -1.209 119.218 120.400 0.045 0.000 2.209 543 K HA -0.189 4.131 4.320 -0.000 0.000 0.204 543 K C 1.565 178.197 176.600 0.053 0.000 1.048 543 K CA 1.790 58.116 56.287 0.065 0.000 0.940 543 K CB -0.800 31.736 32.500 0.061 0.000 0.729 543 K HN 0.560 nan 8.250 nan 0.000 0.451 544 T N -0.763 113.810 114.554 0.030 0.000 2.942 544 T HA 0.005 4.355 4.350 -0.000 0.000 0.265 544 T C 1.747 176.455 174.700 0.013 0.000 1.062 544 T CA 0.762 62.878 62.100 0.026 0.000 1.139 544 T CB -0.024 68.855 68.868 0.019 0.000 0.883 544 T HN 0.272 nan 8.240 nan 0.000 0.468 545 K N 1.367 121.758 120.400 -0.014 0.000 2.097 545 K HA 0.235 4.554 4.320 -0.000 0.000 0.205 545 K C 2.792 179.346 176.600 -0.076 0.000 1.050 545 K CA 1.061 57.314 56.287 -0.057 0.000 0.938 545 K CB -0.412 32.026 32.500 -0.102 0.000 0.718 545 K HN 0.434 nan 8.250 nan 0.000 0.442 546 A N 1.416 124.216 122.820 -0.034 0.000 1.877 546 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 546 A C 2.121 179.808 177.584 0.170 0.000 1.186 546 A CA 1.259 53.337 52.037 0.069 0.000 0.620 546 A CB -0.661 18.494 19.000 0.259 0.000 0.822 546 A HN 0.151 nan 8.150 nan 0.000 0.443 547 L N -0.389 120.911 121.223 0.128 0.000 2.046 547 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 547 L C 2.874 179.799 176.870 0.092 0.000 1.077 547 L CA 1.457 56.367 54.840 0.117 0.000 0.747 547 L CB -0.392 41.715 42.059 0.080 0.000 0.896 547 L HN 0.336 nan 8.230 nan 0.000 0.432 548 S N 0.030 115.764 115.700 0.056 0.000 2.368 548 S HA -0.187 4.283 4.470 -0.000 0.000 0.225 548 S C 1.822 176.446 174.600 0.041 0.000 1.030 548 S CA 1.346 59.571 58.200 0.041 0.000 0.999 548 S CB -0.366 62.847 63.200 0.022 0.000 0.844 548 S HN 0.266 nan 8.310 nan 0.000 0.459 549 L N 1.609 122.841 121.223 0.014 0.000 2.017 549 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 549 L C 2.079 179.007 176.870 0.096 0.000 1.073 549 L CA 1.491 56.319 54.840 -0.021 0.000 0.745 549 L CB -0.821 41.105 42.059 -0.221 0.000 0.894 549 L HN 0.247 nan 8.230 nan 0.000 0.432 550 L N -0.283 121.082 121.223 0.237 0.000 2.042 550 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 550 L C 2.750 179.699 176.870 0.131 0.000 1.076 550 L CA 1.989 56.954 54.840 0.209 0.000 0.749 550 L CB -0.672 41.497 42.059 0.184 0.000 0.893 550 L HN 0.350 nan 8.230 nan 0.000 0.432 551 R N -0.181 120.383 120.500 0.108 0.000 2.092 551 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 551 R C 2.136 178.503 176.300 0.111 0.000 1.119 551 R CA 1.559 57.716 56.100 0.094 0.000 0.970 551 R CB -0.802 29.538 30.300 0.068 0.000 0.864 551 R HN 0.446 nan 8.270 nan 0.000 0.440 552 A N 0.374 123.256 122.820 0.104 0.000 1.933 552 A HA -0.085 4.234 4.320 -0.000 0.000 0.218 552 A C 2.190 179.929 177.584 0.258 0.000 1.175 552 A CA 1.457 53.590 52.037 0.162 0.000 0.628 552 A CB -0.548 18.527 19.000 0.124 0.000 0.814 552 A HN 0.354 nan 8.150 nan 0.000 0.444 553 L N -0.253 121.056 121.223 0.143 0.000 2.027 553 L HA -0.152 4.188 4.340 -0.000 0.000 0.206 553 L C 3.065 180.144 176.870 0.349 0.000 1.074 553 L CA 1.825 56.727 54.840 0.102 0.000 0.745 553 L CB -1.045 40.889 42.059 -0.209 0.000 0.898 553 L HN 0.636 nan 8.230 nan 0.000 0.433 554 T N -3.847 110.898 114.554 0.318 0.000 2.788 554 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 554 T C 1.568 176.400 174.700 0.220 0.000 1.044 554 T CA 1.395 63.686 62.100 0.319 0.000 1.139 554 T CB -0.356 68.624 68.868 0.185 0.000 0.867 554 T HN 0.166 nan 8.240 nan 0.000 0.454 555 D N 0.395 120.909 120.400 0.191 0.000 2.117 555 D HA -0.003 4.637 4.640 -0.000 0.000 0.197 555 D C 1.557 177.895 176.300 0.063 0.000 0.987 555 D CA 0.632 54.721 54.000 0.149 0.000 0.829 555 D CB -0.554 40.356 40.800 0.184 0.000 0.961 555 D HN 0.453 nan 8.370 nan 0.000 0.460 556 F N 1.864 121.758 119.950 -0.094 0.000 2.095 556 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 556 F C 2.251 178.096 175.800 0.075 0.000 1.104 556 F CA 1.757 59.555 58.000 -0.337 0.000 1.232 556 F CB -0.032 38.894 39.000 -0.125 0.000 0.987 556 F HN -0.188 nan 8.300 nan 0.000 0.475 557 K N 0.321 120.909 120.400 0.314 0.000 2.026 557 K HA -0.249 4.071 4.320 -0.000 0.000 0.208 557 K C 2.508 179.172 176.600 0.107 0.000 1.048 557 K CA 1.517 57.908 56.287 0.174 0.000 0.929 557 K CB -0.369 32.052 32.500 -0.130 0.000 0.713 557 K HN 0.248 nan 8.250 nan 0.000 0.439 558 R N 0.094 120.630 120.500 0.060 0.000 2.094 558 R HA -0.176 4.164 4.340 -0.000 0.000 0.239 558 R C 2.175 178.489 176.300 0.024 0.000 1.137 558 R CA 1.753 57.876 56.100 0.039 0.000 0.943 558 R CB -0.383 29.942 30.300 0.041 0.000 0.850 558 R HN 0.324 nan 8.270 nan 0.000 0.433 559 A N 0.103 122.904 122.820 -0.031 0.000 1.897 559 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 559 A C 2.005 179.534 177.584 -0.091 0.000 1.181 559 A CA 1.081 53.083 52.037 -0.059 0.000 0.620 559 A CB -0.750 18.204 19.000 -0.076 0.000 0.821 559 A HN 0.512 nan 8.150 nan 0.000 0.443 560 F N 1.363 121.115 119.950 -0.330 0.000 2.091 560 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 560 F C 1.668 177.466 175.800 -0.003 0.000 1.103 560 F CA 2.318 60.176 58.000 -0.238 0.000 1.228 560 F CB -0.107 38.730 39.000 -0.272 0.000 0.984 560 F HN 0.239 nan 8.300 nan 0.000 0.477 561 D N 0.279 120.832 120.400 0.255 0.000 2.264 561 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 561 D C 2.230 178.536 176.300 0.009 0.000 0.966 561 D CA 0.964 55.073 54.000 0.182 0.000 0.864 561 D CB -0.326 40.602 40.800 0.215 0.000 0.933 561 D HN 0.348 nan 8.370 nan 0.000 0.499 562 L N 0.027 121.238 121.223 -0.020 0.000 2.478 562 L HA -0.032 4.308 4.340 -0.000 0.000 0.223 562 L C 0.425 177.246 176.870 -0.082 0.000 1.140 562 L CA 0.000 54.817 54.840 -0.039 0.000 0.842 562 L CB -0.353 41.694 42.059 -0.020 0.000 0.953 562 L HN 0.001 nan 8.230 nan 0.000 0.452 563 N N 0.863 119.464 118.700 -0.164 0.000 2.738 563 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 563 N C -0.205 175.236 175.510 -0.113 0.000 1.047 563 N CA 0.368 53.296 53.050 -0.203 0.000 0.707 563 N CB -1.284 37.102 38.487 -0.168 0.000 0.937 563 N HN 0.202 nan 8.380 nan 0.000 0.545 564 L N 0.305 121.476 121.223 -0.087 0.000 2.499 564 L HA 0.050 4.390 4.340 -0.000 0.000 0.281 564 L C 1.473 178.333 176.870 -0.015 0.000 1.234 564 L CA -0.040 54.781 54.840 -0.032 0.000 0.839 564 L CB 0.220 42.280 42.059 0.002 0.000 1.104 564 L HN 0.114 nan 8.230 nan 0.000 0.500 565 R N 1.249 121.750 120.500 0.002 0.000 2.623 565 R HA 0.001 4.341 4.340 -0.000 0.000 0.271 565 R C 1.133 177.461 176.300 0.045 0.000 1.043 565 R CA -0.155 55.958 56.100 0.022 0.000 1.083 565 R CB 0.545 30.844 30.300 -0.002 0.000 0.974 565 R HN 0.476 nan 8.270 nan 0.000 0.436 566 V N 3.685 123.657 119.914 0.096 0.000 2.324 566 V HA -0.316 3.803 4.120 -0.000 0.000 0.250 566 V C 2.580 178.717 176.094 0.071 0.000 1.060 566 V CA 2.089 64.462 62.300 0.122 0.000 1.042 566 V CB -0.535 31.404 31.823 0.194 0.000 0.650 566 V HN 0.776 nan 8.190 nan 0.000 0.450 567 K N 0.009 120.395 120.400 -0.024 0.000 2.089 567 K HA -0.264 4.056 4.320 -0.000 0.000 0.210 567 K C 1.916 178.392 176.600 -0.205 0.000 1.048 567 K CA 2.114 58.179 56.287 -0.370 0.000 0.926 567 K CB -0.112 32.006 32.500 -0.638 0.000 0.714 567 K HN 0.507 nan 8.250 nan 0.000 0.448 568 N N -0.075 118.576 118.700 -0.081 0.000 2.368 568 N HA -0.060 4.680 4.740 -0.000 0.000 0.178 568 N C 1.673 177.220 175.510 0.063 0.000 1.021 568 N CA 0.979 54.019 53.050 -0.017 0.000 0.875 568 N CB -0.096 38.388 38.487 -0.006 0.000 1.020 568 N HN 0.242 nan 8.380 nan 0.000 0.433 569 M N 0.171 119.834 119.600 0.104 0.000 2.236 569 M HA 0.085 4.565 4.480 -0.000 0.000 0.266 569 M C -0.181 176.270 176.300 0.252 0.000 1.070 569 M CA 1.272 56.699 55.300 0.212 0.000 1.137 569 M CB 0.357 33.077 32.600 0.200 0.000 1.378 569 M HN -0.087 nan 8.290 nan 0.000 0.426 570 L N 0.923 122.250 121.223 0.173 0.000 2.637 570 L HA 0.289 4.628 4.340 -0.000 0.000 0.241 570 L C -1.914 175.018 176.870 0.103 0.000 1.398 570 L CA -1.395 53.535 54.840 0.150 0.000 0.895 570 L CB 0.456 42.614 42.059 0.166 0.000 1.183 570 L HN 0.013 nan 8.230 nan 0.000 0.497 571 P HA -0.141 nan 4.420 nan 0.000 0.216 571 P C 1.398 178.786 177.300 0.146 0.000 1.150 571 P CA 1.215 64.385 63.100 0.118 0.000 0.837 571 P CB 0.419 32.155 31.700 0.060 0.000 0.786 572 S N -0.019 115.720 115.700 0.066 0.000 2.382 572 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 572 S C 1.893 176.515 174.600 0.035 0.000 1.027 572 S CA 0.972 59.196 58.200 0.040 0.000 0.991 572 S CB -1.115 62.082 63.200 -0.004 0.000 0.823 572 S HN 0.088 nan 8.310 nan 0.000 0.469 573 L N 0.831 122.064 121.223 0.017 0.000 2.027 573 L HA -0.036 4.304 4.340 -0.000 0.000 0.206 573 L C 2.043 178.912 176.870 -0.002 0.000 1.074 573 L CA 1.697 56.505 54.840 -0.052 0.000 0.745 573 L CB -0.981 40.993 42.059 -0.143 0.000 0.898 573 L HN 0.345 nan 8.230 nan 0.000 0.433 574 Y N 0.722 120.992 120.300 -0.050 0.000 2.114 574 Y HA -0.308 4.242 4.550 -0.000 0.000 0.282 574 Y C 2.628 178.625 175.900 0.161 0.000 1.165 574 Y CA 2.134 60.296 58.100 0.103 0.000 1.148 574 Y CB -0.292 38.227 38.460 0.098 0.000 0.972 574 Y HN 0.164 nan 8.280 nan 0.000 0.504 575 R N 0.259 120.781 120.500 0.036 0.000 2.152 575 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 575 R C 2.084 178.356 176.300 -0.046 0.000 1.117 575 R CA 1.506 57.574 56.100 -0.054 0.000 0.981 575 R CB -0.310 30.018 30.300 0.046 0.000 0.870 575 R HN 0.567 nan 8.270 nan 0.000 0.451 576 E N -0.043 120.163 120.200 0.011 0.000 2.153 576 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 576 E C 0.098 176.720 176.600 0.038 0.000 0.988 576 E CA 0.781 57.199 56.400 0.029 0.000 0.811 576 E CB 0.173 29.904 29.700 0.051 0.000 0.746 576 E HN 0.106 nan 8.360 nan 0.000 0.466 577 D N -1.826 118.619 120.400 0.074 0.000 2.634 577 D HA 0.084 4.724 4.640 -0.000 0.000 0.236 577 D C -2.361 173.956 176.300 0.027 0.000 1.323 577 D CA -1.457 52.578 54.000 0.059 0.000 0.884 577 D CB 0.872 41.713 40.800 0.068 0.000 1.496 577 D HN -0.239 nan 8.370 nan 0.000 0.525 578 P HA -0.126 nan 4.420 nan 0.000 0.215 578 P C 1.268 178.534 177.300 -0.057 0.000 1.153 578 P CA 0.944 63.717 63.100 -0.546 0.000 0.853 578 P CB 0.520 31.923 31.700 -0.494 0.000 0.788 579 E N -1.484 118.721 120.200 0.008 0.000 2.077 579 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 579 E C 1.814 178.462 176.600 0.079 0.000 0.989 579 E CA 0.797 57.234 56.400 0.061 0.000 0.800 579 E CB -0.533 29.191 29.700 0.040 0.000 0.746 579 E HN 0.110 nan 8.360 nan 0.000 0.452 580 F N -0.272 119.624 119.950 -0.089 0.000 2.186 580 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 580 F C 1.270 176.947 175.800 -0.206 0.000 1.090 580 F CA 1.309 59.179 58.000 -0.218 0.000 1.307 580 F CB 0.000 38.765 39.000 -0.391 0.000 1.019 580 F HN 0.070 nan 8.300 nan 0.000 0.489 581 Y N -0.265 120.251 120.300 0.361 0.000 2.457 581 Y HA 0.115 4.665 4.550 -0.000 0.000 0.263 581 Y C 1.947 178.058 175.900 0.352 0.000 1.164 581 Y CA 0.255 58.587 58.100 0.386 0.000 1.274 581 Y CB -0.589 38.175 38.460 0.507 0.000 1.097 581 Y HN 0.051 nan 8.280 nan 0.000 0.523 582 E N 1.207 121.655 120.200 0.414 0.000 2.108 582 E HA -0.227 4.123 4.350 -0.000 0.000 0.203 582 E C 1.186 177.913 176.600 0.211 0.000 1.022 582 E CA 2.010 58.634 56.400 0.373 0.000 0.823 582 E CB -0.140 29.701 29.700 0.235 0.000 0.744 582 E HN 0.305 nan 8.360 nan 0.000 0.456 583 N N -0.811 117.973 118.700 0.140 0.000 2.205 583 N HA 0.069 4.809 4.740 -0.000 0.000 0.201 583 N C -0.023 175.541 175.510 0.090 0.000 1.128 583 N CA -0.100 53.001 53.050 0.085 0.000 0.867 583 N CB 0.216 38.727 38.487 0.041 0.000 0.996 583 N HN 0.250 nan 8.380 nan 0.000 0.503 584 M N 1.402 121.093 119.600 0.152 0.000 2.228 584 M HA 0.123 4.603 4.480 -0.000 0.000 0.351 584 M C -0.142 176.250 176.300 0.153 0.000 1.233 584 M CA 0.157 55.560 55.300 0.171 0.000 1.129 584 M CB 0.836 33.621 32.600 0.309 0.000 1.604 584 M HN -0.160 nan 8.290 nan 0.000 0.457 585 R N 2.843 123.401 120.500 0.097 0.000 2.598 585 R HA 0.299 4.638 4.340 -0.000 0.000 0.279 585 R C 0.838 177.160 176.300 0.037 0.000 0.984 585 R CA -0.805 55.322 56.100 0.045 0.000 0.999 585 R CB 1.104 31.398 30.300 -0.009 0.000 1.114 585 R HN 0.768 nan 8.270 nan 0.000 0.493 586 I N 1.829 122.392 120.570 -0.012 0.000 2.264 586 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 586 I C 1.839 177.902 176.117 -0.090 0.000 1.111 586 I CA 1.870 63.167 61.300 -0.005 0.000 1.382 586 I CB -0.008 37.974 38.000 -0.030 0.000 1.060 586 I HN 0.604 nan 8.210 nan 0.000 0.418 587 Q N -0.369 119.249 119.800 -0.304 0.000 2.119 587 Q HA -0.251 4.088 4.340 -0.000 0.000 0.201 587 Q C 2.173 178.157 176.000 -0.026 0.000 0.972 587 Q CA 1.698 57.312 55.803 -0.316 0.000 0.847 587 Q CB -0.235 28.270 28.738 -0.387 0.000 0.903 587 Q HN 0.656 nan 8.270 nan 0.000 0.433 588 E N 0.726 120.922 120.200 -0.007 0.000 2.047 588 E HA -0.210 4.139 4.350 -0.000 0.000 0.191 588 E C 2.014 178.650 176.600 0.060 0.000 0.987 588 E CA 0.632 57.058 56.400 0.044 0.000 0.799 588 E CB 0.006 29.737 29.700 0.053 0.000 0.752 588 E HN 0.191 nan 8.360 nan 0.000 0.449 589 L N 1.237 122.509 121.223 0.082 0.000 1.990 589 L HA -0.183 4.157 4.340 -0.000 0.000 0.213 589 L C 2.352 179.171 176.870 -0.085 0.000 1.072 589 L CA 2.488 57.344 54.840 0.027 0.000 0.755 589 L CB -0.916 41.224 42.059 0.135 0.000 0.889 589 L HN 0.210 nan 8.230 nan 0.000 0.432 590 A N -1.246 121.604 122.820 0.050 0.000 1.883 590 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 590 A C 2.188 179.784 177.584 0.019 0.000 1.186 590 A CA 2.000 54.073 52.037 0.059 0.000 0.624 590 A CB -0.651 18.512 19.000 0.272 0.000 0.822 590 A HN 0.692 nan 8.150 nan 0.000 0.444 591 Q N -0.600 119.237 119.800 0.062 0.000 2.079 591 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 591 Q C 1.933 177.962 176.000 0.049 0.000 0.974 591 Q CA 1.462 57.316 55.803 0.086 0.000 0.840 591 Q CB -0.226 28.572 28.738 0.100 0.000 0.898 591 Q HN 0.639 nan 8.270 nan 0.000 0.430 592 N N 0.696 119.389 118.700 -0.012 0.000 2.084 592 N HA -0.101 4.639 4.740 -0.000 0.000 0.190 592 N C 1.742 177.166 175.510 -0.142 0.000 1.030 592 N CA 1.091 54.117 53.050 -0.040 0.000 0.849 592 N CB -0.169 38.328 38.487 0.017 0.000 1.012 592 N HN 0.222 nan 8.380 nan 0.000 0.423 593 I N 0.278 120.664 120.570 -0.307 0.000 2.252 593 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 593 I C 2.373 178.436 176.117 -0.090 0.000 1.102 593 I CA 1.029 62.141 61.300 -0.312 0.000 1.385 593 I CB -0.418 37.274 38.000 -0.513 0.000 1.064 593 I HN 0.333 nan 8.210 nan 0.000 0.414 594 H N 1.864 120.870 119.070 -0.106 0.000 2.352 594 H HA -0.187 4.368 4.556 -0.000 0.000 0.299 594 H C 2.014 177.355 175.328 0.022 0.000 1.097 594 H CA 1.494 57.539 56.048 -0.005 0.000 1.311 594 H CB 0.281 30.032 29.762 -0.019 0.000 1.377 594 H HN 0.088 nan 8.280 nan 0.000 0.504 595 K N 0.832 121.202 120.400 -0.050 0.000 2.097 595 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 595 K C 2.588 179.162 176.600 -0.043 0.000 1.049 595 K CA 0.500 56.740 56.287 -0.079 0.000 0.933 595 K CB -0.527 31.965 32.500 -0.013 0.000 0.717 595 K HN 0.371 nan 8.250 nan 0.000 0.442 596 L N 0.355 121.568 121.223 -0.017 0.000 2.017 596 L HA -0.151 4.188 4.340 -0.000 0.000 0.208 596 L C 2.368 179.333 176.870 0.159 0.000 1.073 596 L CA 1.040 55.928 54.840 0.081 0.000 0.745 596 L CB -0.381 41.690 42.059 0.019 0.000 0.894 596 L HN 0.078 nan 8.230 nan 0.000 0.432 597 I N -1.062 119.539 120.570 0.051 0.000 2.179 597 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 597 I C 2.442 178.581 176.117 0.036 0.000 1.088 597 I CA 1.127 62.467 61.300 0.068 0.000 1.357 597 I CB -0.315 37.729 38.000 0.073 0.000 1.051 597 I HN 0.021 nan 8.210 nan 0.000 0.409 598 V N 0.504 120.364 119.914 -0.091 0.000 2.261 598 V HA -0.355 3.765 4.120 -0.000 0.000 0.246 598 V C 2.532 178.604 176.094 -0.036 0.000 1.047 598 V CA 2.505 64.740 62.300 -0.108 0.000 1.015 598 V CB -0.982 30.711 31.823 -0.216 0.000 0.642 598 V HN 0.498 nan 8.190 nan 0.000 0.446 599 H N -0.202 118.803 119.070 -0.109 0.000 2.353 599 H HA -0.197 4.359 4.556 -0.000 0.000 0.298 599 H C 2.170 177.384 175.328 -0.190 0.000 1.103 599 H CA 2.161 58.112 56.048 -0.160 0.000 1.293 599 H CB -0.184 29.442 29.762 -0.227 0.000 1.372 599 H HN 0.524 nan 8.280 nan 0.000 0.501 600 H N -0.427 118.595 119.070 -0.081 0.000 2.547 600 H HA 0.019 4.575 4.556 -0.000 0.000 0.266 600 H C 0.758 176.050 175.328 -0.060 0.000 0.988 600 H CA 0.719 56.708 56.048 -0.099 0.000 1.147 600 H CB -0.126 29.644 29.762 0.014 0.000 1.365 600 H HN 0.413 nan 8.280 nan 0.000 0.589 601 N N 0.614 119.326 118.700 0.021 0.000 2.721 601 N HA -0.211 4.529 4.740 -0.000 0.000 0.249 601 N C 1.189 176.756 175.510 0.096 0.000 1.072 601 N CA 0.459 53.525 53.050 0.027 0.000 0.710 601 N CB -1.525 36.959 38.487 -0.005 0.000 0.993 601 N HN 0.451 nan 8.380 nan 0.000 0.547 602 L N 0.062 121.366 121.223 0.136 0.000 2.012 602 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 602 L C -0.840 176.139 176.870 0.180 0.000 1.073 602 L CA 1.732 56.689 54.840 0.195 0.000 0.748 602 L CB -0.685 41.485 42.059 0.185 0.000 0.891 602 L HN 0.194 nan 8.230 nan 0.000 0.431 603 P HA -0.161 nan 4.420 nan 0.000 0.217 603 P C 0.870 178.205 177.300 0.059 0.000 1.150 603 P CA 1.733 64.879 63.100 0.076 0.000 0.832 603 P CB -0.038 31.677 31.700 0.025 0.000 0.787 604 D N -0.844 119.584 120.400 0.047 0.000 2.117 604 D HA -0.117 4.523 4.640 -0.000 0.000 0.198 604 D C 1.877 178.237 176.300 0.100 0.000 0.982 604 D CA 0.938 54.969 54.000 0.053 0.000 0.828 604 D CB -0.664 40.148 40.800 0.019 0.000 0.967 604 D HN -0.002 nan 8.370 nan 0.000 0.464 605 L N -0.098 121.192 121.223 0.110 0.000 2.083 605 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 605 L C 2.577 179.442 176.870 -0.007 0.000 1.083 605 L CA 0.912 55.833 54.840 0.135 0.000 0.752 605 L CB -0.374 41.840 42.059 0.258 0.000 0.899 605 L HN 0.250 nan 8.230 nan 0.000 0.433 606 M N -1.423 118.110 119.600 -0.112 0.000 2.132 606 M HA -0.271 4.208 4.480 -0.000 0.000 0.263 606 M C 2.358 178.533 176.300 -0.208 0.000 1.065 606 M CA 1.749 56.691 55.300 -0.596 0.000 1.122 606 M CB -0.232 32.185 32.600 -0.306 0.000 1.365 606 M HN 0.162 nan 8.290 nan 0.000 0.411 607 Y N 0.919 121.141 120.300 -0.130 0.000 2.097 607 Y HA -0.266 4.283 4.550 -0.000 0.000 0.282 607 Y C 2.287 178.176 175.900 -0.018 0.000 1.152 607 Y CA 2.070 60.138 58.100 -0.053 0.000 1.136 607 Y CB -0.192 38.243 38.460 -0.042 0.000 0.975 607 Y HN 0.165 nan 8.280 nan 0.000 0.498 608 R N -0.098 120.437 120.500 0.059 0.000 2.115 608 R HA -0.130 4.210 4.340 -0.000 0.000 0.230 608 R C 2.477 178.709 176.300 -0.115 0.000 1.111 608 R CA 0.897 56.989 56.100 -0.014 0.000 0.976 608 R CB -0.626 29.713 30.300 0.066 0.000 0.870 608 R HN 0.463 nan 8.270 nan 0.000 0.445 609 A N 0.606 123.330 122.820 -0.159 0.000 1.940 609 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 609 A C 1.630 178.952 177.584 -0.437 0.000 1.176 609 A CA 1.344 53.210 52.037 -0.284 0.000 0.631 609 A CB -0.465 18.277 19.000 -0.429 0.000 0.814 609 A HN 0.264 nan 8.150 nan 0.000 0.446 610 F N -0.928 118.843 119.950 -0.297 0.000 2.765 610 F HA 0.165 4.692 4.527 -0.000 0.000 0.302 610 F C 2.047 177.689 175.800 -0.264 0.000 1.111 610 F CA 0.666 58.508 58.000 -0.264 0.000 1.359 610 F CB 0.194 39.029 39.000 -0.275 0.000 1.097 610 F HN 0.363 nan 8.300 nan 0.000 0.577 611 E N 0.133 120.223 120.200 -0.184 0.000 2.076 611 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 611 E C -0.012 176.521 176.600 -0.111 0.000 0.979 611 E CA 0.656 56.936 56.400 -0.201 0.000 0.807 611 E CB 0.416 29.964 29.700 -0.255 0.000 0.761 611 E HN 0.023 nan 8.360 nan 0.000 0.454 612 V N 2.343 122.191 119.914 -0.109 0.000 2.417 612 V HA 0.253 4.372 4.120 -0.000 0.000 0.291 612 V C -0.036 175.995 176.094 -0.106 0.000 1.024 612 V CA -0.605 61.646 62.300 -0.081 0.000 0.861 612 V CB 1.592 33.380 31.823 -0.058 0.000 0.985 612 V HN 0.176 nan 8.190 nan 0.000 0.436 613 L N 6.578 127.748 121.223 -0.088 0.000 2.416 613 L HA 0.308 4.648 4.340 -0.000 0.000 0.272 613 L C -2.019 174.795 176.870 -0.094 0.000 1.161 613 L CA -1.454 53.319 54.840 -0.112 0.000 0.845 613 L CB 0.753 42.757 42.059 -0.092 0.000 1.119 613 L HN 0.407 nan 8.230 nan 0.000 0.464 614 P HA -0.005 nan 4.420 nan 0.000 0.267 614 P C -0.540 176.732 177.300 -0.047 0.000 1.201 614 P CA -0.040 63.012 63.100 -0.080 0.000 0.775 614 P CB 0.340 31.983 31.700 -0.095 0.000 0.854 615 T N 2.835 117.374 114.554 -0.025 0.000 2.832 615 T HA 0.221 4.570 4.350 -0.000 0.000 0.296 615 T C 0.463 175.169 174.700 0.010 0.000 0.968 615 T CA -0.160 61.938 62.100 -0.004 0.000 1.107 615 T CB -0.039 68.828 68.868 -0.002 0.000 0.916 615 T HN 0.358 nan 8.240 nan 0.000 0.517 616 M N 5.221 124.839 119.600 0.030 0.000 2.383 616 M HA 0.152 4.632 4.480 -0.000 0.000 0.337 616 M C 0.493 176.814 176.300 0.035 0.000 1.422 616 M CA -0.180 55.150 55.300 0.049 0.000 1.333 616 M CB -0.032 32.618 32.600 0.083 0.000 1.488 616 M HN 0.475 nan 8.290 nan 0.000 0.454 617 V N 5.704 125.637 119.914 0.031 0.000 2.535 617 V HA -0.015 4.105 4.120 -0.000 0.000 0.246 617 V C 0.869 176.982 176.094 0.032 0.000 1.045 617 V CA 1.275 63.590 62.300 0.026 0.000 1.058 617 V CB -0.375 31.461 31.823 0.021 0.000 0.689 617 V HN 0.911 nan 8.190 nan 0.000 0.461 618 M N -1.349 118.277 119.600 0.044 0.000 2.618 618 M HA 0.567 5.047 4.480 -0.000 0.000 0.281 618 M C -0.183 176.162 176.300 0.074 0.000 1.267 618 M CA -0.655 54.678 55.300 0.054 0.000 0.845 618 M CB 1.852 34.483 32.600 0.053 0.000 1.732 618 M HN 0.029 nan 8.290 nan 0.000 0.461 619 T N -1.837 112.771 114.554 0.089 0.000 2.855 619 T HA 0.280 4.630 4.350 -0.000 0.000 0.314 619 T C -2.152 172.633 174.700 0.141 0.000 1.077 619 T CA -0.842 61.324 62.100 0.110 0.000 1.095 619 T CB -0.036 68.902 68.868 0.117 0.000 0.987 619 T HN 0.566 nan 8.240 nan 0.000 0.546 620 P HA -0.085 nan 4.420 nan 0.000 0.216 620 P C 1.166 178.591 177.300 0.208 0.000 1.150 620 P CA 0.924 64.117 63.100 0.156 0.000 0.837 620 P CB -0.199 31.582 31.700 0.136 0.000 0.786 621 Y N 0.746 121.107 120.300 0.102 0.000 2.145 621 Y HA -0.194 4.355 4.550 -0.000 0.000 0.286 621 Y C 2.379 178.364 175.900 0.142 0.000 1.145 621 Y CA 1.910 60.089 58.100 0.131 0.000 1.148 621 Y CB -0.871 37.638 38.460 0.082 0.000 0.981 621 Y HN -0.112 nan 8.280 nan 0.000 0.507 622 A N 0.556 123.487 122.820 0.185 0.000 1.933 622 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 622 A C 2.379 179.973 177.584 0.018 0.000 1.175 622 A CA 1.837 53.914 52.037 0.067 0.000 0.628 622 A CB -1.482 17.590 19.000 0.119 0.000 0.814 622 A HN 0.633 nan 8.150 nan 0.000 0.444 623 A N -1.408 121.456 122.820 0.074 0.000 1.898 623 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 623 A C 2.099 179.741 177.584 0.097 0.000 1.181 623 A CA 1.437 53.522 52.037 0.079 0.000 0.620 623 A CB -0.699 18.364 19.000 0.105 0.000 0.819 623 A HN 0.635 nan 8.150 nan 0.000 0.442 624 F N 0.340 120.259 119.950 -0.051 0.000 2.186 624 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 624 F C 2.588 178.322 175.800 -0.109 0.000 1.090 624 F CA 1.558 59.519 58.000 -0.066 0.000 1.307 624 F CB 0.056 39.020 39.000 -0.059 0.000 1.019 624 F HN 0.191 nan 8.300 nan 0.000 0.489 625 Q N 0.777 120.431 119.800 -0.243 0.000 2.096 625 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 625 Q C 2.142 178.094 176.000 -0.079 0.000 0.982 625 Q CA 1.289 56.940 55.803 -0.254 0.000 0.850 625 Q CB -0.536 28.066 28.738 -0.226 0.000 0.901 625 Q HN 0.376 nan 8.270 nan 0.000 0.422 626 K N 0.921 121.290 120.400 -0.053 0.000 2.026 626 K HA -0.174 4.145 4.320 -0.000 0.000 0.208 626 K C 1.969 178.542 176.600 -0.045 0.000 1.048 626 K CA 1.116 57.395 56.287 -0.013 0.000 0.929 626 K CB -0.277 32.213 32.500 -0.017 0.000 0.713 626 K HN 0.416 nan 8.250 nan 0.000 0.439 627 E N 1.055 121.186 120.200 -0.115 0.000 2.077 627 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 627 E C 2.066 178.510 176.600 -0.261 0.000 0.989 627 E CA 0.751 57.063 56.400 -0.145 0.000 0.800 627 E CB -0.035 29.610 29.700 -0.092 0.000 0.746 627 E HN 0.186 nan 8.360 nan 0.000 0.452 628 L N -0.059 120.879 121.223 -0.474 0.000 2.265 628 L HA -0.164 4.176 4.340 -0.000 0.000 0.215 628 L C 1.527 178.181 176.870 -0.361 0.000 1.117 628 L CA 1.040 55.589 54.840 -0.485 0.000 0.782 628 L CB -0.323 41.359 42.059 -0.628 0.000 0.914 628 L HN 0.244 nan 8.230 nan 0.000 0.441 629 H N -0.626 118.327 119.070 -0.194 0.000 2.524 629 H HA 0.163 4.719 4.556 -0.000 0.000 0.280 629 H C 1.443 176.711 175.328 -0.100 0.000 1.018 629 H CA 0.521 56.493 56.048 -0.127 0.000 1.165 629 H CB 0.179 29.877 29.762 -0.107 0.000 1.411 629 H HN 0.324 nan 8.280 nan 0.000 0.569 630 G N 0.838 109.623 108.800 -0.026 0.000 2.160 630 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.251 630 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.251 630 G C 0.560 175.453 174.900 -0.012 0.000 1.008 630 G CA 0.337 45.422 45.100 -0.026 0.000 0.724 630 G HN 0.393 nan 8.290 nan 0.000 0.514 631 M N 1.802 121.399 119.600 -0.005 0.000 3.029 631 M HA 0.281 4.761 4.480 -0.000 0.000 0.267 631 M C 0.967 177.262 176.300 -0.008 0.000 1.270 631 M CA 0.716 56.011 55.300 -0.008 0.000 1.101 631 M CB 0.370 32.964 32.600 -0.010 0.000 1.266 631 M HN 0.433 nan 8.290 nan 0.000 0.503 632 T N -2.246 112.303 114.554 -0.009 0.000 2.930 632 T HA 0.814 5.164 4.350 -0.000 0.000 0.290 632 T C -0.578 174.116 174.700 -0.011 0.000 1.052 632 T CA -0.781 61.318 62.100 -0.001 0.000 1.017 632 T CB 2.424 71.298 68.868 0.011 0.000 1.137 632 T HN 0.455 nan 8.240 nan 0.000 0.511 633 E N 0.030 120.224 120.200 -0.009 0.000 2.445 633 E HA 0.495 4.844 4.350 -0.000 0.000 0.279 633 E C -1.493 175.092 176.600 -0.025 0.000 1.018 633 E CA -1.154 55.231 56.400 -0.025 0.000 0.816 633 E CB 1.481 31.167 29.700 -0.024 0.000 1.356 633 E HN 0.684 nan 8.360 nan 0.000 0.462 634 E N 0.738 120.905 120.200 -0.056 0.000 2.191 634 E HA 0.452 4.802 4.350 -0.000 0.000 0.278 634 E C -0.529 176.009 176.600 -0.103 0.000 0.972 634 E CA -0.907 55.451 56.400 -0.070 0.000 0.804 634 E CB 2.191 31.820 29.700 -0.119 0.000 1.110 634 E HN 0.425 nan 8.360 nan 0.000 0.394 635 V N 0.066 119.929 119.914 -0.084 0.000 3.074 635 V HA 0.449 4.569 4.120 -0.000 0.000 0.314 635 V C -0.753 175.261 176.094 -0.134 0.000 1.117 635 V CA -1.103 61.135 62.300 -0.103 0.000 1.014 635 V CB 0.774 32.599 31.823 0.002 0.000 1.057 635 V HN 0.570 nan 8.190 nan 0.000 0.438 636 Y N 1.507 121.841 120.300 0.056 0.000 2.610 636 Y HA 0.153 4.703 4.550 -0.000 0.000 0.332 636 Y C 1.421 177.363 175.900 0.070 0.000 1.201 636 Y CA 0.718 58.860 58.100 0.069 0.000 1.465 636 Y CB 0.831 39.324 38.460 0.055 0.000 1.283 636 Y HN 0.780 nan 8.280 nan 0.000 0.563 637 L N 2.097 123.469 121.223 0.249 0.000 2.034 637 L HA -0.331 4.009 4.340 -0.000 0.000 0.217 637 L C 1.634 178.578 176.870 0.124 0.000 1.077 637 L CA 2.120 57.054 54.840 0.156 0.000 0.769 637 L CB -0.440 41.705 42.059 0.144 0.000 0.890 637 L HN 0.678 nan 8.230 nan 0.000 0.435 638 D N -0.321 120.167 120.400 0.147 0.000 2.265 638 D HA -0.150 4.490 4.640 -0.000 0.000 0.208 638 D C 1.492 177.844 176.300 0.087 0.000 0.977 638 D CA 1.017 55.073 54.000 0.095 0.000 0.871 638 D CB -0.077 40.767 40.800 0.074 0.000 0.925 638 D HN 0.532 nan 8.370 nan 0.000 0.485 639 E N -0.169 120.101 120.200 0.117 0.000 2.501 639 E HA 0.078 4.428 4.350 -0.000 0.000 0.200 639 E C 1.734 178.374 176.600 0.067 0.000 1.016 639 E CA -0.078 56.377 56.400 0.093 0.000 0.921 639 E CB 0.101 29.874 29.700 0.122 0.000 1.034 639 E HN 0.513 nan 8.360 nan 0.000 0.468 640 M N -1.647 117.988 119.600 0.060 0.000 2.556 640 M HA 0.144 4.623 4.480 -0.000 0.000 0.245 640 M C 0.485 176.801 176.300 0.027 0.000 1.128 640 M CA 0.265 55.590 55.300 0.042 0.000 1.069 640 M CB 0.116 32.740 32.600 0.040 0.000 1.469 640 M HN -0.328 nan 8.290 nan 0.000 0.494 641 V N 3.156 123.085 119.914 0.025 0.000 2.599 641 V HA 0.259 4.379 4.120 -0.000 0.000 0.300 641 V C 1.457 177.561 176.094 0.016 0.000 1.034 641 V CA 1.303 63.612 62.300 0.015 0.000 1.115 641 V CB 0.044 31.875 31.823 0.014 0.000 0.934 641 V HN 0.854 nan 8.190 nan 0.000 0.485 642 G N 3.969 112.776 108.800 0.011 0.000 2.159 642 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.256 642 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.256 642 G C 0.212 175.120 174.900 0.013 0.000 0.977 642 G CA -0.151 44.956 45.100 0.011 0.000 0.652 642 G HN 0.542 nan 8.290 nan 0.000 0.531 643 R N -0.174 120.335 120.500 0.015 0.000 2.604 643 R HA 0.635 4.975 4.340 -0.000 0.000 0.287 643 R C 0.503 176.813 176.300 0.017 0.000 0.970 643 R CA -1.254 54.857 56.100 0.017 0.000 0.946 643 R CB 0.832 31.145 30.300 0.023 0.000 1.127 643 R HN 0.274 nan 8.270 nan 0.000 0.473 644 I N 2.626 123.207 120.570 0.019 0.000 2.337 644 I HA 0.075 4.245 4.170 -0.000 0.000 0.291 644 I C 0.618 176.752 176.117 0.029 0.000 1.046 644 I CA -0.258 61.056 61.300 0.022 0.000 1.324 644 I CB 0.306 38.320 38.000 0.023 0.000 1.409 644 I HN 0.164 nan 8.210 nan 0.000 0.494 645 N N 4.823 123.540 118.700 0.029 0.000 2.454 645 N HA 0.049 4.789 4.740 -0.000 0.000 0.260 645 N C 0.706 176.249 175.510 0.055 0.000 1.218 645 N CA 0.069 53.141 53.050 0.038 0.000 0.904 645 N CB 1.760 40.261 38.487 0.024 0.000 1.065 645 N HN 0.761 nan 8.380 nan 0.000 0.462 646 A N 3.533 126.395 122.820 0.070 0.000 1.943 646 A HA 0.043 4.363 4.320 -0.000 0.000 0.213 646 A C 0.624 178.278 177.584 0.117 0.000 1.181 646 A CA 0.834 52.928 52.037 0.095 0.000 0.653 646 A CB 0.174 19.231 19.000 0.095 0.000 0.833 646 A HN 0.580 nan 8.150 nan 0.000 0.451 647 N N -0.960 117.801 118.700 0.102 0.000 2.404 647 N HA 0.394 5.134 4.740 -0.000 0.000 0.297 647 N C -0.599 174.946 175.510 0.058 0.000 1.163 647 N CA -0.552 52.558 53.050 0.099 0.000 0.864 647 N CB 1.066 39.620 38.487 0.111 0.000 1.247 647 N HN 0.380 nan 8.380 nan 0.000 0.510 648 M N 1.412 121.037 119.600 0.042 0.000 2.248 648 M HA 0.183 4.662 4.480 -0.000 0.000 0.345 648 M C -0.711 175.598 176.300 0.016 0.000 1.243 648 M CA 0.418 55.725 55.300 0.012 0.000 1.090 648 M CB 0.163 32.756 32.600 -0.012 0.000 1.683 648 M HN 0.395 nan 8.290 nan 0.000 0.450 649 I N 6.236 126.802 120.570 -0.006 0.000 2.339 649 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 649 I C -1.094 175.015 176.117 -0.012 0.000 0.994 649 I CA -0.721 60.575 61.300 -0.007 0.000 1.191 649 I CB 1.505 39.490 38.000 -0.026 0.000 1.343 649 I HN 0.548 nan 8.210 nan 0.000 0.458 650 L N 10.408 131.630 121.223 -0.002 0.000 2.454 650 L HA 0.591 4.931 4.340 -0.000 0.000 0.258 650 L C -2.686 174.084 176.870 -0.166 0.000 1.025 650 L CA -1.736 53.050 54.840 -0.091 0.000 0.901 650 L CB 1.269 43.255 42.059 -0.122 0.000 1.210 650 L HN 0.214 nan 8.230 nan 0.000 0.457 651 P HA 0.291 nan 4.420 nan 0.000 0.286 651 P C -1.655 175.490 177.300 -0.259 0.000 1.261 651 P CA -0.193 62.875 63.100 -0.052 0.000 0.821 651 P CB 0.859 32.633 31.700 0.125 0.000 1.013 652 Y N 2.870 123.182 120.300 0.019 0.000 2.345 652 Y HA 0.345 4.895 4.550 -0.000 0.000 0.331 652 Y C -1.561 174.360 175.900 0.035 0.000 0.959 652 Y CA -2.057 56.051 58.100 0.013 0.000 1.204 652 Y CB 1.389 39.836 38.460 -0.022 0.000 1.135 652 Y HN 0.308 nan 8.280 nan 0.000 0.477 653 P HA 0.221 nan 4.420 nan 0.000 0.276 653 P C -2.494 174.920 177.300 0.189 0.000 1.261 653 P CA -1.886 61.288 63.100 0.123 0.000 0.800 653 P CB 1.829 33.596 31.700 0.112 0.000 1.066 654 P HA 0.119 nan 4.420 nan 0.000 0.266 654 P C 0.670 177.815 177.300 -0.258 0.000 1.381 654 P CA 0.364 63.352 63.100 -0.186 0.000 0.940 654 P CB -0.059 31.413 31.700 -0.381 0.000 1.435 655 G N 0.024 108.568 108.800 -0.426 0.000 2.132 655 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.228 655 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.228 655 G C -0.075 174.618 174.900 -0.345 0.000 1.000 655 G CA 0.035 44.723 45.100 -0.686 0.000 0.693 655 G HN 0.542 nan 8.290 nan 0.000 0.515 656 V N -3.884 115.877 119.914 -0.255 0.000 3.040 656 V HA 0.926 5.046 4.120 -0.000 0.000 0.312 656 V C -2.535 173.585 176.094 0.043 0.000 1.115 656 V CA -3.099 59.147 62.300 -0.091 0.000 0.998 656 V CB 2.128 33.895 31.823 -0.093 0.000 1.042 656 V HN 0.005 nan 8.190 nan 0.000 0.433 657 P HA 0.155 nan 4.420 nan 0.000 0.264 657 P C 0.058 177.424 177.300 0.111 0.000 1.193 657 P CA 0.201 63.321 63.100 0.033 0.000 0.763 657 P CB 0.825 32.511 31.700 -0.024 0.000 0.810 658 L N 5.307 126.530 121.223 0.001 0.000 2.349 658 L HA 0.197 4.537 4.340 -0.000 0.000 0.200 658 L C 0.011 176.746 176.870 -0.224 0.000 1.064 658 L CA 1.461 56.159 54.840 -0.236 0.000 0.821 658 L CB 0.430 42.314 42.059 -0.291 0.000 1.027 658 L HN 0.067 nan 8.230 nan 0.000 0.476 659 V N 1.337 121.169 119.914 -0.137 0.000 2.638 659 V HA 0.431 4.551 4.120 -0.000 0.000 0.306 659 V C -0.106 175.942 176.094 -0.077 0.000 1.052 659 V CA -0.828 61.404 62.300 -0.113 0.000 0.885 659 V CB 1.703 33.479 31.823 -0.079 0.000 0.999 659 V HN 0.031 nan 8.190 nan 0.000 0.424 660 M N 4.298 123.852 119.600 -0.077 0.000 2.359 660 M HA 0.485 4.965 4.480 -0.000 0.000 0.322 660 M C -2.575 173.734 176.300 0.016 0.000 1.166 660 M CA -2.774 52.510 55.300 -0.027 0.000 1.067 660 M CB 0.630 33.225 32.600 -0.009 0.000 1.523 660 M HN 0.255 nan 8.290 nan 0.000 0.467 661 P HA 0.159 nan 4.420 nan 0.000 0.262 661 P C 0.730 178.076 177.300 0.076 0.000 1.182 661 P CA 1.019 64.162 63.100 0.072 0.000 0.761 661 P CB 0.357 32.117 31.700 0.101 0.000 0.795 662 G N 1.729 110.569 108.800 0.066 0.000 2.213 662 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.236 662 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.236 662 G C 0.013 174.940 174.900 0.046 0.000 0.991 662 G CA -0.340 44.798 45.100 0.063 0.000 0.629 662 G HN 0.536 nan 8.290 nan 0.000 0.517 663 E N -0.029 120.190 120.200 0.032 0.000 2.283 663 E HA 0.690 5.040 4.350 -0.000 0.000 0.271 663 E C 0.036 176.638 176.600 0.003 0.000 1.031 663 E CA -0.538 55.868 56.400 0.011 0.000 0.868 663 E CB 1.439 31.129 29.700 -0.017 0.000 1.094 663 E HN 0.324 nan 8.360 nan 0.000 0.401 664 M N 2.998 122.596 119.600 -0.004 0.000 2.326 664 M HA 0.394 4.874 4.480 -0.000 0.000 0.306 664 M C -1.511 174.780 176.300 -0.016 0.000 1.054 664 M CA -0.584 54.714 55.300 -0.004 0.000 0.922 664 M CB 1.107 33.709 32.600 0.003 0.000 1.632 664 M HN 0.488 nan 8.290 nan 0.000 0.436 665 I N 4.362 124.921 120.570 -0.017 0.000 2.496 665 I HA 0.232 4.401 4.170 -0.000 0.000 0.285 665 I C 0.609 176.719 176.117 -0.013 0.000 1.080 665 I CA 0.086 61.371 61.300 -0.024 0.000 1.404 665 I CB 1.108 39.094 38.000 -0.023 0.000 1.403 665 I HN 0.759 nan 8.210 nan 0.000 0.539 666 T N 1.022 115.567 114.554 -0.015 0.000 2.773 666 T HA 0.333 4.683 4.350 -0.000 0.000 0.278 666 T C 0.835 175.531 174.700 -0.008 0.000 1.011 666 T CA -0.762 61.334 62.100 -0.008 0.000 1.014 666 T CB 1.582 70.446 68.868 -0.007 0.000 1.293 666 T HN 0.428 nan 8.240 nan 0.000 0.554 667 E N 0.462 120.660 120.200 -0.003 0.000 2.110 667 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 667 E C 1.851 178.448 176.600 -0.005 0.000 0.988 667 E CA 1.416 57.816 56.400 -0.002 0.000 0.804 667 E CB -0.374 29.328 29.700 0.002 0.000 0.745 667 E HN 0.887 nan 8.360 nan 0.000 0.458 668 E N 0.778 120.973 120.200 -0.008 0.000 2.147 668 E HA -0.169 4.180 4.350 -0.000 0.000 0.199 668 E C 0.955 177.542 176.600 -0.021 0.000 1.005 668 E CA 1.665 58.059 56.400 -0.011 0.000 0.810 668 E CB 0.112 29.805 29.700 -0.011 0.000 0.736 668 E HN 0.174 nan 8.360 nan 0.000 0.460 669 S N -0.807 114.877 115.700 -0.028 0.000 2.664 669 S HA 0.238 4.708 4.470 -0.000 0.000 0.245 669 S C 1.155 175.730 174.600 -0.041 0.000 1.019 669 S CA -0.475 57.698 58.200 -0.046 0.000 0.996 669 S CB 0.537 63.699 63.200 -0.063 0.000 0.878 669 S HN 0.182 nan 8.310 nan 0.000 0.493 670 R N 2.279 122.766 120.500 -0.022 0.000 2.139 670 R HA -0.023 4.317 4.340 -0.000 0.000 0.243 670 R C -1.226 175.071 176.300 -0.006 0.000 1.145 670 R CA 1.541 57.634 56.100 -0.010 0.000 0.976 670 R CB -1.288 29.012 30.300 0.000 0.000 0.866 670 R HN 0.338 nan 8.270 nan 0.000 0.449 671 P HA -0.136 nan 4.420 nan 0.000 0.218 671 P C 1.215 178.517 177.300 0.005 0.000 1.146 671 P CA 0.955 64.057 63.100 0.004 0.000 0.813 671 P CB 0.050 31.742 31.700 -0.013 0.000 0.778 672 V N -0.318 119.566 119.914 -0.051 0.000 2.252 672 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 672 V C 2.344 178.441 176.094 0.005 0.000 1.056 672 V CA 1.981 64.237 62.300 -0.073 0.000 1.022 672 V CB -1.299 30.447 31.823 -0.129 0.000 0.641 672 V HN 0.093 nan 8.190 nan 0.000 0.445 673 L N 0.083 121.305 121.223 -0.002 0.000 2.056 673 L HA -0.148 4.191 4.340 -0.000 0.000 0.207 673 L C 2.402 179.285 176.870 0.021 0.000 1.078 673 L CA 1.908 56.751 54.840 0.005 0.000 0.749 673 L CB -0.693 41.370 42.059 0.005 0.000 0.901 673 L HN 0.375 nan 8.230 nan 0.000 0.433 674 E N -1.014 119.213 120.200 0.044 0.000 2.085 674 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 674 E C 2.051 178.706 176.600 0.092 0.000 0.994 674 E CA 1.719 58.155 56.400 0.060 0.000 0.801 674 E CB -0.383 29.356 29.700 0.065 0.000 0.743 674 E HN 0.608 nan 8.360 nan 0.000 0.453 675 F N 1.355 121.289 119.950 -0.028 0.000 2.075 675 F HA -0.206 4.321 4.527 -0.000 0.000 0.297 675 F C 1.980 177.756 175.800 -0.040 0.000 1.113 675 F CA 1.188 59.176 58.000 -0.020 0.000 1.218 675 F CB -0.021 38.967 39.000 -0.021 0.000 0.984 675 F HN -0.087 nan 8.300 nan 0.000 0.472 676 L N 0.192 121.289 121.223 -0.210 0.000 2.042 676 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 676 L C 2.554 179.254 176.870 -0.283 0.000 1.076 676 L CA 1.642 56.289 54.840 -0.322 0.000 0.749 676 L CB -0.975 40.990 42.059 -0.158 0.000 0.893 676 L HN 0.270 nan 8.230 nan 0.000 0.432 677 Q N -0.844 118.864 119.800 -0.153 0.000 2.096 677 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 677 Q C 2.306 178.226 176.000 -0.133 0.000 0.982 677 Q CA 1.603 57.342 55.803 -0.107 0.000 0.850 677 Q CB -0.217 28.505 28.738 -0.027 0.000 0.901 677 Q HN 0.453 nan 8.270 nan 0.000 0.422 678 M N 0.698 120.212 119.600 -0.142 0.000 2.132 678 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 678 M C 1.892 178.020 176.300 -0.286 0.000 1.065 678 M CA 1.520 56.727 55.300 -0.155 0.000 1.122 678 M CB -0.410 32.163 32.600 -0.046 0.000 1.365 678 M HN 0.278 nan 8.290 nan 0.000 0.411 679 L N -0.222 120.768 121.223 -0.389 0.000 2.079 679 L HA -0.311 4.028 4.340 -0.000 0.000 0.210 679 L C 2.604 179.296 176.870 -0.296 0.000 1.081 679 L CA 1.372 55.985 54.840 -0.379 0.000 0.752 679 L CB -0.911 40.839 42.059 -0.516 0.000 0.896 679 L HN 0.422 nan 8.230 nan 0.000 0.433 680 C N -0.244 118.850 119.300 -0.344 0.000 2.446 680 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 680 C C 2.617 177.555 174.990 -0.086 0.000 1.275 680 C CA 0.498 59.309 59.018 -0.344 0.000 1.727 680 C CB -0.694 26.787 27.740 -0.432 0.000 2.010 680 C HN 0.518 nan 8.230 nan 0.000 0.486 681 E N 0.550 120.698 120.200 -0.087 0.000 2.031 681 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 681 E C 2.019 178.643 176.600 0.041 0.000 0.994 681 E CA 1.107 57.505 56.400 -0.004 0.000 0.800 681 E CB -0.249 29.454 29.700 0.006 0.000 0.752 681 E HN 0.637 nan 8.360 nan 0.000 0.447 682 I N 0.810 121.274 120.570 -0.178 0.000 2.361 682 I HA -0.152 4.018 4.170 -0.000 0.000 0.251 682 I C 2.076 178.290 176.117 0.163 0.000 1.133 682 I CA 1.131 62.372 61.300 -0.098 0.000 1.413 682 I CB -0.044 37.789 38.000 -0.278 0.000 1.073 682 I HN 0.101 nan 8.210 nan 0.000 0.424 683 G N -0.361 108.498 108.800 0.099 0.000 2.744 683 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.211 683 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.211 683 G C 1.511 176.519 174.900 0.181 0.000 1.143 683 G CA 0.513 45.704 45.100 0.152 0.000 0.788 683 G HN 0.512 nan 8.290 nan 0.000 0.534 684 A N -0.043 122.873 122.820 0.161 0.000 2.169 684 A HA 0.210 4.530 4.320 -0.000 0.000 0.212 684 A C 1.849 179.404 177.584 -0.049 0.000 1.153 684 A CA 0.994 53.051 52.037 0.034 0.000 0.756 684 A CB -0.267 18.703 19.000 -0.050 0.000 0.813 684 A HN 0.431 nan 8.150 nan 0.000 0.471 685 H N -2.448 116.659 119.070 0.061 0.000 2.370 685 H HA 0.185 4.741 4.556 -0.000 0.000 0.304 685 H C -0.443 174.704 175.328 -0.301 0.000 1.055 685 H CA 1.281 57.311 56.048 -0.031 0.000 1.373 685 H CB 0.026 29.874 29.762 0.144 0.000 1.423 685 H HN 0.488 nan 8.280 nan 0.000 0.533 686 Y N 0.416 120.799 120.300 0.139 0.000 2.328 686 Y HA 0.321 4.871 4.550 -0.000 0.000 0.333 686 Y C -2.342 173.612 175.900 0.090 0.000 0.958 686 Y CA -3.512 54.611 58.100 0.039 0.000 1.167 686 Y CB 1.293 39.872 38.460 0.199 0.000 1.151 686 Y HN -0.031 nan 8.280 nan 0.000 0.470 687 P HA 0.108 nan 4.420 nan 0.000 0.265 687 P C 0.828 178.282 177.300 0.257 0.000 1.193 687 P CA 1.439 64.544 63.100 0.008 0.000 0.765 687 P CB 0.747 32.352 31.700 -0.157 0.000 0.823 688 G N 1.750 110.596 108.800 0.077 0.000 2.241 688 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 688 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 688 G C 0.206 174.852 174.900 -0.424 0.000 0.998 688 G CA -0.326 44.674 45.100 -0.166 0.000 0.621 688 G HN 0.458 nan 8.290 nan 0.000 0.519 689 F N 2.047 122.071 119.950 0.123 0.000 2.739 689 F HA 0.559 5.086 4.527 -0.000 0.000 0.345 689 F C 0.544 176.403 175.800 0.099 0.000 1.373 689 F CA -0.779 57.287 58.000 0.111 0.000 1.160 689 F CB 0.721 39.809 39.000 0.148 0.000 1.137 689 F HN -0.010 nan 8.300 nan 0.000 0.524 690 E N 0.180 120.478 120.200 0.164 0.000 2.374 690 E HA 0.219 4.569 4.350 -0.000 0.000 0.260 690 E C 0.361 177.037 176.600 0.126 0.000 1.101 690 E CA -0.155 56.330 56.400 0.142 0.000 0.907 690 E CB 0.486 30.245 29.700 0.099 0.000 1.014 690 E HN 0.076 nan 8.360 nan 0.000 0.427 691 T N 1.982 116.609 114.554 0.121 0.000 2.933 691 T HA 0.016 4.366 4.350 -0.000 0.000 0.306 691 T C -0.246 174.510 174.700 0.094 0.000 1.045 691 T CA 0.506 62.643 62.100 0.061 0.000 1.143 691 T CB 0.040 68.901 68.868 -0.012 0.000 1.003 691 T HN 0.321 nan 8.240 nan 0.000 0.540 692 D N 2.854 123.304 120.400 0.084 0.000 2.363 692 D HA 0.336 4.976 4.640 -0.000 0.000 0.258 692 D C -0.920 175.515 176.300 0.225 0.000 1.259 692 D CA -0.444 53.655 54.000 0.166 0.000 0.921 692 D CB 0.021 40.918 40.800 0.161 0.000 1.201 692 D HN 0.419 nan 8.370 nan 0.000 0.524 693 I N 3.272 123.944 120.570 0.170 0.000 2.420 693 I HA 0.212 4.381 4.170 -0.000 0.000 0.282 693 I C 0.266 176.503 176.117 0.201 0.000 1.019 693 I CA -0.732 60.645 61.300 0.129 0.000 1.130 693 I CB 1.346 39.314 38.000 -0.054 0.000 1.262 693 I HN 0.192 nan 8.210 nan 0.000 0.454 694 H N 5.343 124.452 119.070 0.064 0.000 2.929 694 H HA 0.171 4.727 4.556 -0.000 0.000 0.317 694 H C 1.153 176.435 175.328 -0.076 0.000 1.031 694 H CA 0.707 56.763 56.048 0.015 0.000 1.466 694 H CB 0.843 30.665 29.762 0.100 0.000 1.482 694 H HN 1.023 nan 8.280 nan 0.000 0.561 695 G N 2.028 110.758 108.800 -0.117 0.000 2.195 695 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.224 695 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.224 695 G C 0.123 174.798 174.900 -0.375 0.000 0.990 695 G CA -0.144 44.834 45.100 -0.203 0.000 0.639 695 G HN 0.881 nan 8.290 nan 0.000 0.514 696 A N -0.220 122.383 122.820 -0.363 0.000 2.342 696 A HA 0.846 5.166 4.320 -0.000 0.000 0.323 696 A C -0.935 176.493 177.584 -0.259 0.000 1.125 696 A CA -0.673 51.231 52.037 -0.222 0.000 0.785 696 A CB 0.960 19.952 19.000 -0.014 0.000 1.221 696 A HN 0.746 nan 8.150 nan 0.000 0.463 697 Y N 0.939 121.368 120.300 0.215 0.000 2.328 697 Y HA 0.502 5.052 4.550 -0.000 0.000 0.336 697 Y C 0.582 176.429 175.900 -0.088 0.000 0.960 697 Y CA -0.569 57.582 58.100 0.085 0.000 1.134 697 Y CB 1.444 39.911 38.460 0.011 0.000 1.166 697 Y HN 0.763 nan 8.280 nan 0.000 0.464 698 R N 3.249 123.634 120.500 -0.191 0.000 2.347 698 R HA 0.162 4.502 4.340 -0.000 0.000 0.304 698 R C -0.376 175.751 176.300 -0.289 0.000 1.072 698 R CA -0.387 55.276 56.100 -0.728 0.000 0.980 698 R CB 0.510 30.419 30.300 -0.652 0.000 0.986 698 R HN 0.657 nan 8.270 nan 0.000 0.448 699 Q N 2.100 121.753 119.800 -0.245 0.000 2.237 699 Q HA 0.192 4.532 4.340 -0.000 0.000 0.219 699 Q C 0.895 176.844 176.000 -0.084 0.000 0.999 699 Q CA 0.219 55.968 55.803 -0.090 0.000 0.959 699 Q CB 1.113 29.858 28.738 0.012 0.000 1.173 699 Q HN 0.793 nan 8.270 nan 0.000 0.527 700 A N 1.095 123.889 122.820 -0.042 0.000 1.933 700 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 700 A C 1.141 178.706 177.584 -0.031 0.000 1.175 700 A CA 2.016 54.031 52.037 -0.036 0.000 0.628 700 A CB -0.464 18.523 19.000 -0.022 0.000 0.814 700 A HN 0.773 nan 8.150 nan 0.000 0.444 701 D N -1.738 118.653 120.400 -0.015 0.000 2.363 701 D HA 0.222 4.862 4.640 -0.000 0.000 0.226 701 D C 1.183 177.468 176.300 -0.026 0.000 1.020 701 D CA 0.988 54.980 54.000 -0.014 0.000 0.892 701 D CB -0.747 40.054 40.800 0.000 0.000 0.900 701 D HN 0.822 nan 8.370 nan 0.000 0.531 702 G N 0.219 108.985 108.800 -0.057 0.000 2.179 702 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.260 702 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.260 702 G C 0.335 175.199 174.900 -0.060 0.000 0.977 702 G CA 0.080 45.131 45.100 -0.081 0.000 0.641 702 G HN 0.488 nan 8.290 nan 0.000 0.533 703 R N -0.839 119.658 120.500 -0.005 0.000 2.560 703 R HA 0.594 4.933 4.340 -0.000 0.000 0.270 703 R C -0.463 175.888 176.300 0.086 0.000 1.074 703 R CA -0.303 55.873 56.100 0.125 0.000 1.140 703 R CB 0.566 30.942 30.300 0.127 0.000 1.073 703 R HN 0.272 nan 8.270 nan 0.000 0.527 704 Y N -0.324 120.095 120.300 0.198 0.000 2.446 704 Y HA 0.283 4.833 4.550 -0.000 0.000 0.338 704 Y C 0.693 176.709 175.900 0.193 0.000 1.055 704 Y CA -0.527 57.671 58.100 0.163 0.000 1.101 704 Y CB 2.289 40.801 38.460 0.087 0.000 1.221 704 Y HN 0.604 nan 8.280 nan 0.000 0.460 705 T N -0.399 114.311 114.554 0.261 0.000 2.942 705 T HA 0.841 5.191 4.350 -0.000 0.000 0.289 705 T C -0.682 174.162 174.700 0.240 0.000 1.044 705 T CA -0.795 61.389 62.100 0.140 0.000 1.023 705 T CB 1.428 70.273 68.868 -0.040 0.000 1.123 705 T HN 0.640 nan 8.240 nan 0.000 0.512 706 V N -1.794 118.220 119.914 0.168 0.000 3.130 706 V HA 0.754 4.874 4.120 -0.000 0.000 0.310 706 V C -0.771 175.418 176.094 0.159 0.000 1.158 706 V CA -1.388 61.020 62.300 0.180 0.000 1.029 706 V CB 1.803 33.684 31.823 0.096 0.000 1.057 706 V HN 1.147 nan 8.190 nan 0.000 0.436 707 K N 1.530 122.042 120.400 0.186 0.000 2.211 707 K HA 0.754 5.074 4.320 -0.000 0.000 0.275 707 K C -0.685 175.964 176.600 0.082 0.000 1.024 707 K CA -0.454 55.908 56.287 0.124 0.000 0.887 707 K CB 1.562 34.158 32.500 0.160 0.000 1.084 707 K HN 1.073 nan 8.250 nan 0.000 0.463 708 V N 1.583 121.527 119.914 0.050 0.000 3.102 708 V HA 0.524 4.644 4.120 -0.000 0.000 0.312 708 V C -0.480 175.631 176.094 0.028 0.000 1.135 708 V CA -1.305 61.018 62.300 0.039 0.000 1.022 708 V CB 1.408 33.249 31.823 0.031 0.000 1.056 708 V HN 0.629 nan 8.190 nan 0.000 0.436 709 L N 1.727 122.965 121.223 0.025 0.000 2.380 709 L HA 0.401 4.741 4.340 -0.000 0.000 0.273 709 L C 0.726 177.600 176.870 0.007 0.000 1.138 709 L CA -0.351 54.498 54.840 0.015 0.000 0.832 709 L CB 0.503 42.571 42.059 0.015 0.000 1.124 709 L HN 0.709 nan 8.230 nan 0.000 0.454 710 K N 2.142 122.541 120.400 -0.001 0.000 2.469 710 K HA 0.052 4.371 4.320 -0.000 0.000 0.274 710 K C -0.037 176.561 176.600 -0.004 0.000 0.983 710 K CA 0.050 56.334 56.287 -0.004 0.000 0.974 710 K CB 0.568 33.062 32.500 -0.010 0.000 0.913 710 K HN 0.510 nan 8.250 nan 0.000 0.493 711 E N 0.000 120.198 120.200 -0.003 0.000 2.725 711 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 711 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 711 E CB 0.000 29.701 29.700 0.001 0.000 0.812 711 E HN 0.000 nan 8.360 nan 0.000 0.440