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 3ee6_1_B DATA FIRST_RESID 20 DATA SEQUENCE SYSPEPDQRR TLPPGWVSLG RADPEEELSL TFALRQQNVE RLSELVQAVS DATA SEQUENCE DPSSPQYGKY LTLENVADLV RPSPLTLHTV QKWLLAAGAQ KcHSVITQDF DATA SEQUENCE LTcWLSIRQA ELLLPGAEFH HYVGGPTETH VVRSPHPYQL PQALAPHVDF DATA SEQUENCE VGGLHRFPPT SXXXXXXXXX XXXXXXXHLG VTPSVIRKRY NLTSQDVGSG DATA SEQUENCE TSNNSQACAQ FLEQYFHDSD LAQFMRLFGG NFAHQASVAR VVGQQGRGRA DATA SEQUENCE GIEASLDVQY LMSAGANIST WVYSSPGRHE GQEPFLQWLM LLSNESALPH DATA SEQUENCE VHTVSYGDDE DSLSSAYIQR VNTELMKAAA RGLTLLFASG DSGAGcWSVS DATA SEQUENCE GRHQFRPTFP ASSPYVTTVG GTSFQEPFLI TNEIVDYISG GGFSNVFPRP DATA SEQUENCE SYQEEAVTKF LSSSPHLPPS SYFNASGRAY PDVAALSDGY WVVSNRVPIP DATA SEQUENCE WVSGTSASTP VFGGILSLIN EHRILSGRPP LGFLNPRLYQ QHGAGLFDVT DATA SEQUENCE RGcHEScLDE EVEGQGFcSG PGWDPVTGWG TPNFPALLKT LLNPR 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.683 174.600 0.138 0.000 1.055 20 S CA 0.000 58.253 58.200 0.089 0.000 1.107 20 S CB 0.000 63.253 63.200 0.088 0.000 0.593 21 Y N 1.087 121.377 120.300 -0.016 0.000 2.457 21 Y HA 0.731 5.281 4.550 0.000 0.000 0.343 21 Y C -0.740 175.124 175.900 -0.059 0.000 0.994 21 Y CA -0.368 57.711 58.100 -0.035 0.000 1.031 21 Y CB 2.302 40.738 38.460 -0.040 0.000 1.246 21 Y HN 0.977 nan 8.280 nan 0.000 0.449 22 S N 7.833 123.030 115.700 -0.838 0.000 2.520 22 S HA 0.424 4.894 4.470 0.000 0.000 0.324 22 S C -2.192 171.810 174.600 -0.997 0.000 1.069 22 S CA -1.584 56.174 58.200 -0.735 0.000 1.121 22 S CB 0.920 63.860 63.200 -0.433 0.000 0.971 22 S HN 0.630 nan 8.310 nan 0.000 0.463 23 P HA 0.154 nan 4.420 nan 0.000 0.235 23 P C -0.235 176.968 177.300 -0.161 0.000 1.177 23 P CA 0.532 63.415 63.100 -0.361 0.000 0.785 23 P CB 0.181 31.895 31.700 0.023 0.000 0.885 24 E N 0.381 120.444 120.200 -0.228 0.000 4.052 24 E HA 0.155 4.505 4.350 0.000 0.000 0.219 24 E C -1.937 174.600 176.600 -0.104 0.000 1.166 24 E CA -1.329 55.027 56.400 -0.074 0.000 1.338 24 E CB 0.830 30.581 29.700 0.084 0.000 1.212 24 E HN 0.281 nan 8.360 nan 0.000 0.432 25 P HA -0.118 nan 4.420 nan 0.000 0.229 25 P C 0.473 177.718 177.300 -0.092 0.000 1.160 25 P CA 1.010 64.033 63.100 -0.127 0.000 0.777 25 P CB 0.238 31.858 31.700 -0.135 0.000 0.814 26 D N -1.341 119.014 120.400 -0.074 0.000 2.342 26 D HA 0.025 4.665 4.640 0.000 0.000 0.221 26 D C 0.539 176.798 176.300 -0.070 0.000 1.101 26 D CA -0.097 53.867 54.000 -0.061 0.000 0.837 26 D CB -0.444 40.329 40.800 -0.046 0.000 0.938 26 D HN 0.096 nan 8.370 nan 0.000 0.508 27 Q N 1.958 121.711 119.800 -0.079 0.000 2.314 27 Q HA 0.119 4.459 4.340 0.000 0.000 0.257 27 Q C -0.185 175.726 176.000 -0.149 0.000 0.975 27 Q CA -0.512 55.235 55.803 -0.094 0.000 0.933 27 Q CB 0.876 29.601 28.738 -0.021 0.000 1.195 27 Q HN 0.099 nan 8.270 nan 0.000 0.426 28 R N 4.055 124.479 120.500 -0.128 0.000 2.484 28 R HA 0.034 4.374 4.340 0.000 0.000 0.293 28 R C -0.158 176.048 176.300 -0.156 0.000 1.023 28 R CA 0.526 56.550 56.100 -0.127 0.000 1.037 28 R CB 0.439 30.678 30.300 -0.102 0.000 0.951 28 R HN 0.802 nan 8.270 nan 0.000 0.418 29 R N 1.482 121.875 120.500 -0.180 0.000 2.404 29 R HA 0.054 4.394 4.340 0.000 0.000 0.237 29 R C 0.128 176.375 176.300 -0.088 0.000 0.907 29 R CA 0.300 56.282 56.100 -0.195 0.000 1.063 29 R CB 0.749 30.855 30.300 -0.324 0.000 1.134 29 R HN 0.723 nan 8.270 nan 0.000 0.529 30 T N 0.000 114.496 114.554 -0.096 0.000 2.932 30 T HA 0.117 4.467 4.350 0.000 0.000 0.312 30 T C 0.266 174.850 174.700 -0.193 0.000 1.071 30 T CA -0.609 61.426 62.100 -0.109 0.000 1.128 30 T CB 1.043 69.858 68.868 -0.088 0.000 0.984 30 T HN -0.058 nan 8.240 nan 0.000 0.549 31 L N 4.636 125.705 121.223 -0.256 0.000 2.418 31 L HA 0.388 4.728 4.340 0.000 0.000 0.274 31 L C -2.130 174.490 176.870 -0.417 0.000 1.135 31 L CA -1.494 53.038 54.840 -0.515 0.000 0.870 31 L CB -0.251 41.589 42.059 -0.365 0.000 1.154 31 L HN 0.581 nan 8.230 nan 0.000 0.462 32 P HA 0.311 nan 4.420 nan 0.000 0.274 32 P C -2.719 174.579 177.300 -0.002 0.000 1.246 32 P CA -1.291 61.677 63.100 -0.220 0.000 0.795 32 P CB -0.294 31.297 31.700 -0.181 0.000 1.006 33 P HA 0.147 nan 4.420 nan 0.000 0.275 33 P C 0.539 177.863 177.300 0.039 0.000 1.227 33 P CA 0.343 63.464 63.100 0.035 0.000 0.781 33 P CB 0.536 32.235 31.700 -0.001 0.000 0.906 34 G N 0.769 109.552 108.800 -0.028 0.000 2.163 34 G HA2 -0.172 3.788 3.960 0.000 0.000 0.213 34 G HA3 -0.172 3.788 3.960 0.000 0.000 0.213 34 G C -0.836 173.849 174.900 -0.358 0.000 0.991 34 G CA -0.673 44.313 45.100 -0.191 0.000 0.653 34 G HN 0.427 nan 8.290 nan 0.000 0.518 35 W N 0.378 121.630 121.300 -0.079 0.000 2.411 35 W HA 0.643 5.303 4.660 0.000 0.000 0.317 35 W C 0.115 176.644 176.519 0.017 0.000 1.030 35 W CA -0.998 56.315 57.345 -0.053 0.000 1.239 35 W CB 1.878 31.198 29.460 -0.235 0.000 1.304 35 W HN 0.115 nan 8.180 nan 0.000 0.437 36 V N 3.047 123.129 119.914 0.279 0.000 2.465 36 V HA 0.260 4.380 4.120 0.000 0.000 0.279 36 V C 0.295 176.571 176.094 0.303 0.000 1.045 36 V CA -0.634 61.794 62.300 0.213 0.000 0.938 36 V CB 1.425 33.321 31.823 0.121 0.000 0.986 36 V HN 0.497 nan 8.190 nan 0.000 0.467 37 S N 5.262 121.099 115.700 0.228 0.000 2.430 37 S HA 0.521 4.991 4.470 0.000 0.000 0.289 37 S C -0.279 174.297 174.600 -0.040 0.000 1.143 37 S CA -0.653 57.635 58.200 0.146 0.000 1.067 37 S CB -0.062 63.230 63.200 0.153 0.000 0.964 37 S HN 0.422 nan 8.310 nan 0.000 0.485 38 L N 4.290 125.390 121.223 -0.205 0.000 2.482 38 L HA 0.504 4.844 4.340 0.000 0.000 0.242 38 L C 1.658 178.310 176.870 -0.364 0.000 1.210 38 L CA 0.455 55.103 54.840 -0.321 0.000 0.819 38 L CB -0.333 41.398 42.059 -0.546 0.000 1.203 38 L HN 0.743 nan 8.230 nan 0.000 0.495 39 G N -0.529 108.098 108.800 -0.289 0.000 2.514 39 G HA2 0.223 4.183 3.960 0.000 0.000 0.245 39 G HA3 0.223 4.183 3.960 0.000 0.000 0.245 39 G C -0.104 174.745 174.900 -0.086 0.000 1.488 39 G CA -0.430 44.621 45.100 -0.082 0.000 1.063 39 G HN 0.542 nan 8.290 nan 0.000 0.557 40 R N -0.639 119.774 120.500 -0.145 0.000 2.694 40 R HA 0.472 4.812 4.340 0.000 0.000 0.268 40 R C 0.371 176.694 176.300 0.038 0.000 1.061 40 R CA 0.253 56.101 56.100 -0.420 0.000 1.133 40 R CB 0.301 30.388 30.300 -0.355 0.000 1.020 40 R HN 0.541 nan 8.270 nan 0.000 0.475 41 A N 2.494 125.313 122.820 -0.002 0.000 2.316 41 A HA 0.144 4.464 4.320 0.000 0.000 0.284 41 A C -0.661 176.867 177.584 -0.094 0.000 1.115 41 A CA -0.519 51.459 52.037 -0.098 0.000 0.812 41 A CB 0.599 19.569 19.000 -0.051 0.000 1.064 41 A HN 0.797 nan 8.150 nan 0.000 0.489 42 D N 2.154 122.455 120.400 -0.166 0.000 2.371 42 D HA 0.205 4.846 4.640 0.000 0.000 0.256 42 D C -1.416 174.853 176.300 -0.051 0.000 1.193 42 D CA -1.553 52.398 54.000 -0.083 0.000 0.881 42 D CB 1.157 41.903 40.800 -0.091 0.000 1.143 42 D HN 0.117 nan 8.370 nan 0.000 0.473 43 P HA -0.207 nan 4.420 nan 0.000 0.219 43 P C 0.690 177.985 177.300 -0.008 0.000 1.161 43 P CA 1.442 64.543 63.100 0.002 0.000 0.909 43 P CB 0.298 32.003 31.700 0.008 0.000 0.793 44 E N -0.769 119.420 120.200 -0.019 0.000 2.502 44 E HA -0.027 4.323 4.350 0.000 0.000 0.194 44 E C 0.722 177.302 176.600 -0.033 0.000 1.062 44 E CA 0.169 56.557 56.400 -0.021 0.000 0.867 44 E CB -0.357 29.330 29.700 -0.021 0.000 0.888 44 E HN 0.505 nan 8.360 nan 0.000 0.510 45 E N 1.889 122.061 120.200 -0.047 0.000 2.338 45 E HA 0.006 4.356 4.350 0.000 0.000 0.272 45 E C -0.108 176.470 176.600 -0.037 0.000 1.029 45 E CA -0.253 56.113 56.400 -0.058 0.000 0.872 45 E CB 0.713 30.352 29.700 -0.102 0.000 1.015 45 E HN -0.104 nan 8.360 nan 0.000 0.417 46 E N 2.826 123.026 120.200 -0.000 0.000 2.351 46 E HA 0.448 4.798 4.350 0.000 0.000 0.255 46 E C -0.278 176.418 176.600 0.160 0.000 1.188 46 E CA -0.540 55.915 56.400 0.092 0.000 0.940 46 E CB 1.097 30.850 29.700 0.088 0.000 1.094 46 E HN 0.452 nan 8.360 nan 0.000 0.474 47 L N -0.058 121.337 121.223 0.286 0.000 2.591 47 L HA 0.176 4.516 4.340 0.000 0.000 0.257 47 L C -1.157 175.560 176.870 -0.256 0.000 0.935 47 L CA -0.365 54.486 54.840 0.017 0.000 0.873 47 L CB 2.224 44.084 42.059 -0.331 0.000 1.397 47 L HN 0.457 nan 8.230 nan 0.000 0.414 48 S N 4.629 119.923 115.700 -0.677 0.000 2.461 48 S HA 0.588 5.058 4.470 0.000 0.000 0.322 48 S C -0.831 173.444 174.600 -0.542 0.000 1.063 48 S CA -0.674 56.930 58.200 -0.994 0.000 1.120 48 S CB 0.218 62.631 63.200 -1.313 0.000 0.968 48 S HN 0.357 nan 8.310 nan 0.000 0.467 49 L N 4.341 125.295 121.223 -0.448 0.000 2.325 49 L HA 0.550 4.890 4.340 0.000 0.000 0.279 49 L C 0.545 177.168 176.870 -0.412 0.000 1.054 49 L CA -0.121 54.450 54.840 -0.449 0.000 0.804 49 L CB 1.287 43.013 42.059 -0.554 0.000 1.200 49 L HN 0.579 nan 8.230 nan 0.000 0.436 50 T N 3.595 117.914 114.554 -0.392 0.000 2.791 50 T HA 0.506 4.856 4.350 0.000 0.000 0.288 50 T C -0.397 174.168 174.700 -0.225 0.000 0.999 50 T CA -0.161 61.829 62.100 -0.184 0.000 0.952 50 T CB 0.158 68.992 68.868 -0.058 0.000 0.938 50 T HN 0.086 nan 8.240 nan 0.000 0.444 51 F N 2.268 122.244 119.950 0.043 0.000 2.411 51 F HA 0.543 5.070 4.527 0.000 0.000 0.355 51 F C 0.855 176.633 175.800 -0.036 0.000 1.117 51 F CA -1.033 56.978 58.000 0.018 0.000 1.139 51 F CB 0.822 39.858 39.000 0.059 0.000 1.120 51 F HN 0.565 nan 8.300 nan 0.000 0.493 52 A N 6.371 129.111 122.820 -0.133 0.000 2.415 52 A HA 0.533 4.853 4.320 0.000 0.000 0.309 52 A C -0.204 177.201 177.584 -0.299 0.000 1.356 52 A CA -0.530 51.260 52.037 -0.413 0.000 0.998 52 A CB -0.416 17.969 19.000 -1.025 0.000 1.145 52 A HN 0.792 nan 8.150 nan 0.000 0.545 53 L N 1.645 122.706 121.223 -0.270 0.000 2.397 53 L HA 0.337 4.677 4.340 0.000 0.000 0.271 53 L C 1.006 177.779 176.870 -0.162 0.000 1.148 53 L CA -0.858 53.899 54.840 -0.137 0.000 0.825 53 L CB 0.457 42.456 42.059 -0.100 0.000 1.117 53 L HN 0.713 nan 8.230 nan 0.000 0.456 54 R N 2.424 122.886 120.500 -0.064 0.000 2.480 54 R HA 0.017 4.357 4.340 0.000 0.000 0.303 54 R C -0.340 175.921 176.300 -0.065 0.000 0.985 54 R CA 0.549 56.618 56.100 -0.051 0.000 1.051 54 R CB 0.099 30.395 30.300 -0.006 0.000 0.935 54 R HN 0.508 nan 8.270 nan 0.000 0.410 55 Q N 2.342 122.093 119.800 -0.082 0.000 2.237 55 Q HA 0.175 4.515 4.340 0.000 0.000 0.219 55 Q C 0.425 176.399 176.000 -0.043 0.000 0.999 55 Q CA -0.513 55.245 55.803 -0.076 0.000 0.959 55 Q CB 1.170 29.853 28.738 -0.091 0.000 1.173 55 Q HN 0.640 nan 8.270 nan 0.000 0.527 56 Q N 0.138 119.917 119.800 -0.036 0.000 2.490 56 Q HA 0.085 4.425 4.340 0.000 0.000 0.190 56 Q C 0.127 176.116 176.000 -0.019 0.000 0.969 56 Q CA 0.265 56.054 55.803 -0.023 0.000 0.844 56 Q CB 0.205 28.933 28.738 -0.017 0.000 1.050 56 Q HN 0.516 nan 8.270 nan 0.000 0.601 57 N N 1.091 119.780 118.700 -0.019 0.000 2.843 57 N HA 0.062 4.802 4.740 0.000 0.000 0.284 57 N C 0.860 176.362 175.510 -0.013 0.000 1.274 57 N CA -0.186 52.857 53.050 -0.012 0.000 1.045 57 N CB 0.580 39.062 38.487 -0.009 0.000 1.370 57 N HN -0.012 nan 8.380 nan 0.000 0.525 58 V N 0.347 120.252 119.914 -0.015 0.000 2.324 58 V HA -0.303 3.817 4.120 0.000 0.000 0.250 58 V C 2.339 178.432 176.094 -0.003 0.000 1.060 58 V CA 1.820 64.110 62.300 -0.017 0.000 1.042 58 V CB -0.343 31.473 31.823 -0.011 0.000 0.650 58 V HN 0.598 nan 8.190 nan 0.000 0.450 59 E N -0.178 120.028 120.200 0.009 0.000 2.106 59 E HA -0.229 4.121 4.350 0.000 0.000 0.192 59 E C 2.490 179.105 176.600 0.025 0.000 0.984 59 E CA 0.845 57.259 56.400 0.024 0.000 0.806 59 E CB -0.081 29.634 29.700 0.025 0.000 0.750 59 E HN 0.301 nan 8.360 nan 0.000 0.458 60 R N 0.550 121.059 120.500 0.015 0.000 2.075 60 R HA -0.111 4.229 4.340 0.000 0.000 0.232 60 R C 2.470 178.780 176.300 0.016 0.000 1.126 60 R CA 0.835 56.945 56.100 0.017 0.000 0.963 60 R CB -0.700 29.606 30.300 0.010 0.000 0.858 60 R HN 0.311 nan 8.270 nan 0.000 0.435 61 L N 1.176 122.399 121.223 -0.000 0.000 2.079 61 L HA -0.162 4.178 4.340 0.000 0.000 0.210 61 L C 2.232 179.097 176.870 -0.008 0.000 1.081 61 L CA 2.311 57.141 54.840 -0.015 0.000 0.752 61 L CB -0.633 41.397 42.059 -0.049 0.000 0.896 61 L HN 0.210 nan 8.230 nan 0.000 0.433 62 S N -1.702 114.002 115.700 0.008 0.000 2.402 62 S HA -0.162 4.308 4.470 0.000 0.000 0.229 62 S C 1.794 176.460 174.600 0.110 0.000 1.021 62 S CA 1.043 59.276 58.200 0.055 0.000 0.974 62 S CB -0.609 62.647 63.200 0.093 0.000 0.800 62 S HN 0.634 nan 8.310 nan 0.000 0.484 63 E N 0.634 120.883 120.200 0.082 0.000 2.106 63 E HA -0.018 4.332 4.350 0.000 0.000 0.192 63 E C 1.821 178.475 176.600 0.090 0.000 0.984 63 E CA 0.877 57.329 56.400 0.086 0.000 0.806 63 E CB -0.198 29.538 29.700 0.062 0.000 0.750 63 E HN 0.316 nan 8.360 nan 0.000 0.458 64 L N 0.415 121.681 121.223 0.072 0.000 2.056 64 L HA -0.149 4.191 4.340 0.000 0.000 0.207 64 L C 2.330 179.266 176.870 0.109 0.000 1.078 64 L CA 1.199 56.082 54.840 0.073 0.000 0.749 64 L CB -0.947 41.141 42.059 0.049 0.000 0.901 64 L HN 0.036 nan 8.230 nan 0.000 0.433 65 V N -0.601 119.384 119.914 0.119 0.000 2.287 65 V HA -0.352 3.768 4.120 0.000 0.000 0.248 65 V C 2.582 178.835 176.094 0.265 0.000 1.053 65 V CA 1.971 64.381 62.300 0.183 0.000 1.027 65 V CB -0.566 31.346 31.823 0.149 0.000 0.646 65 V HN 0.546 nan 8.190 nan 0.000 0.447 66 Q N -0.230 119.719 119.800 0.248 0.000 2.167 66 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 66 Q C 2.098 178.209 176.000 0.185 0.000 0.970 66 Q CA 1.630 57.580 55.803 0.244 0.000 0.855 66 Q CB -0.272 28.593 28.738 0.210 0.000 0.911 66 Q HN 0.638 nan 8.270 nan 0.000 0.438 67 A N -0.493 122.415 122.820 0.147 0.000 1.968 67 A HA -0.047 4.273 4.320 0.000 0.000 0.217 67 A C 1.995 179.651 177.584 0.121 0.000 1.169 67 A CA 1.203 53.308 52.037 0.113 0.000 0.638 67 A CB -0.179 18.868 19.000 0.080 0.000 0.812 67 A HN 0.313 nan 8.150 nan 0.000 0.446 68 V N -0.031 119.964 119.914 0.135 0.000 3.590 68 V HA -0.004 4.116 4.120 0.000 0.000 0.265 68 V C 2.204 178.376 176.094 0.130 0.000 1.239 68 V CA 1.739 64.086 62.300 0.078 0.000 1.117 68 V CB 0.474 32.366 31.823 0.114 0.000 0.818 68 V HN 0.764 nan 8.190 nan 0.000 0.451 69 S N -2.037 113.825 115.700 0.271 0.000 2.559 69 S HA 0.119 4.590 4.470 0.000 0.000 0.226 69 S C 0.474 175.272 174.600 0.330 0.000 1.030 69 S CA -0.180 58.221 58.200 0.334 0.000 0.956 69 S CB 0.206 63.620 63.200 0.357 0.000 0.900 69 S HN 0.446 nan 8.310 nan 0.000 0.510 70 D N 3.358 123.913 120.400 0.258 0.000 2.295 70 D HA 0.341 4.981 4.640 0.000 0.000 0.248 70 D C -1.627 174.708 176.300 0.058 0.000 1.154 70 D CA -2.214 51.855 54.000 0.115 0.000 0.857 70 D CB 1.925 42.776 40.800 0.086 0.000 1.117 70 D HN 0.067 nan 8.370 nan 0.000 0.468 71 P HA -0.063 nan 4.420 nan 0.000 0.229 71 P C 0.661 177.759 177.300 -0.337 0.000 1.160 71 P CA 0.484 63.143 63.100 -0.735 0.000 0.777 71 P CB 0.015 31.217 31.700 -0.830 0.000 0.814 72 S N -1.614 113.984 115.700 -0.169 0.000 2.840 72 S HA 0.204 4.674 4.470 0.000 0.000 0.235 72 S C 0.542 175.120 174.600 -0.037 0.000 0.968 72 S CA -0.395 57.748 58.200 -0.095 0.000 1.026 72 S CB -1.015 62.145 63.200 -0.068 0.000 0.788 72 S HN 0.034 nan 8.310 nan 0.000 0.487 73 S N 1.113 116.806 115.700 -0.011 0.000 2.594 73 S HA 0.578 5.048 4.470 0.000 0.000 0.296 73 S C -2.369 172.265 174.600 0.057 0.000 1.124 73 S CA -1.490 56.732 58.200 0.037 0.000 1.011 73 S CB 1.575 64.819 63.200 0.073 0.000 1.016 73 S HN 0.027 nan 8.310 nan 0.000 0.485 74 P HA -0.083 nan 4.420 nan 0.000 0.220 74 P C 0.744 178.066 177.300 0.037 0.000 1.144 74 P CA 1.053 64.172 63.100 0.031 0.000 0.800 74 P CB 0.147 31.857 31.700 0.018 0.000 0.772 75 Q N -2.250 117.574 119.800 0.041 0.000 2.360 75 Q HA 0.012 4.352 4.340 0.000 0.000 0.202 75 Q C 0.233 176.221 176.000 -0.021 0.000 0.915 75 Q CA -0.323 55.483 55.803 0.005 0.000 0.943 75 Q CB -0.617 28.126 28.738 0.008 0.000 1.064 75 Q HN 0.386 nan 8.270 nan 0.000 0.511 76 Y N 1.677 121.926 120.300 -0.085 0.000 2.804 76 Y HA 0.144 4.694 4.550 0.000 0.000 0.338 76 Y C 1.361 177.120 175.900 -0.236 0.000 1.252 76 Y CA 1.704 59.734 58.100 -0.118 0.000 1.576 76 Y CB 0.033 38.451 38.460 -0.070 0.000 1.223 76 Y HN 0.450 nan 8.280 nan 0.000 0.536 77 G N 4.487 112.656 108.800 -1.052 0.000 2.195 77 G HA2 -0.290 3.670 3.960 0.000 0.000 0.246 77 G HA3 -0.290 3.670 3.960 0.000 0.000 0.246 77 G C 0.290 174.523 174.900 -1.110 0.000 0.984 77 G CA 0.097 44.375 45.100 -1.371 0.000 0.633 77 G HN 0.589 nan 8.290 nan 0.000 0.525 78 K N 1.308 121.319 120.400 -0.649 0.000 2.307 78 K HA 0.379 4.699 4.320 0.000 0.000 0.240 78 K C -0.255 176.194 176.600 -0.252 0.000 1.214 78 K CA -0.341 55.745 56.287 -0.334 0.000 1.149 78 K CB -0.005 32.401 32.500 -0.157 0.000 1.668 78 K HN 0.373 nan 8.250 nan 0.000 0.314 79 Y N 0.626 120.900 120.300 -0.044 0.000 2.314 79 Y HA 0.087 4.637 4.550 0.000 0.000 0.334 79 Y C 0.643 176.533 175.900 -0.017 0.000 1.266 79 Y CA -0.847 57.235 58.100 -0.031 0.000 1.391 79 Y CB 0.301 38.743 38.460 -0.030 0.000 1.306 79 Y HN 0.178 nan 8.280 nan 0.000 0.558 80 L N 1.377 122.703 121.223 0.172 0.000 2.305 80 L HA 0.240 4.580 4.340 0.000 0.000 0.281 80 L C 0.738 177.643 176.870 0.059 0.000 1.085 80 L CA -0.029 54.859 54.840 0.081 0.000 0.813 80 L CB 0.863 42.952 42.059 0.050 0.000 1.157 80 L HN 0.717 nan 8.230 nan 0.000 0.436 81 T N 1.605 116.182 114.554 0.039 0.000 2.795 81 T HA 0.029 4.380 4.350 0.000 0.000 0.314 81 T C 1.270 175.971 174.700 0.002 0.000 1.069 81 T CA -0.243 61.868 62.100 0.020 0.000 1.071 81 T CB 0.322 69.201 68.868 0.018 0.000 0.988 81 T HN 0.555 nan 8.240 nan 0.000 0.543 82 L N 2.427 123.644 121.223 -0.010 0.000 2.127 82 L HA 0.020 4.360 4.340 0.000 0.000 0.211 82 L C 2.413 179.277 176.870 -0.010 0.000 1.089 82 L CA 2.366 57.194 54.840 -0.020 0.000 0.757 82 L CB -0.929 41.116 42.059 -0.023 0.000 0.899 82 L HN 0.886 nan 8.230 nan 0.000 0.434 83 E N -0.443 119.756 120.200 -0.002 0.000 2.072 83 E HA -0.203 4.147 4.350 0.000 0.000 0.191 83 E C 1.948 178.549 176.600 0.001 0.000 0.985 83 E CA 1.390 57.791 56.400 0.002 0.000 0.801 83 E CB -0.264 29.440 29.700 0.006 0.000 0.750 83 E HN 0.492 nan 8.360 nan 0.000 0.452 84 N N -0.050 118.653 118.700 0.004 0.000 2.069 84 N HA -0.139 4.601 4.740 0.000 0.000 0.191 84 N C 1.817 177.327 175.510 -0.001 0.000 1.031 84 N CA 1.530 54.583 53.050 0.005 0.000 0.852 84 N CB -0.510 37.985 38.487 0.013 0.000 1.018 84 N HN 0.099 nan 8.380 nan 0.000 0.423 85 V N 1.285 121.195 119.914 -0.006 0.000 2.407 85 V HA -0.174 3.946 4.120 0.000 0.000 0.248 85 V C 2.274 178.357 176.094 -0.018 0.000 1.055 85 V CA 1.769 64.059 62.300 -0.016 0.000 1.049 85 V CB -0.822 30.985 31.823 -0.028 0.000 0.662 85 V HN 0.323 nan 8.190 nan 0.000 0.455 86 A N -0.425 122.388 122.820 -0.013 0.000 1.929 86 A HA -0.177 4.143 4.320 0.000 0.000 0.216 86 A C 1.924 179.502 177.584 -0.011 0.000 1.176 86 A CA 1.654 53.684 52.037 -0.012 0.000 0.628 86 A CB -0.501 18.496 19.000 -0.005 0.000 0.816 86 A HN 0.507 nan 8.150 nan 0.000 0.444 87 D N -0.387 120.009 120.400 -0.007 0.000 2.219 87 D HA -0.075 4.565 4.640 0.000 0.000 0.205 87 D C 1.762 178.058 176.300 -0.008 0.000 0.970 87 D CA 0.496 54.493 54.000 -0.005 0.000 0.851 87 D CB -0.079 40.720 40.800 -0.001 0.000 0.943 87 D HN 0.392 nan 8.370 nan 0.000 0.488 88 L N -0.357 120.860 121.223 -0.010 0.000 2.102 88 L HA 0.003 4.343 4.340 0.000 0.000 0.202 88 L C 1.860 178.719 176.870 -0.018 0.000 1.076 88 L CA 0.804 55.637 54.840 -0.011 0.000 0.761 88 L CB 0.137 42.190 42.059 -0.011 0.000 0.921 88 L HN -0.087 nan 8.230 nan 0.000 0.444 89 V N 0.158 120.057 119.914 -0.025 0.000 3.661 89 V HA 0.050 4.170 4.120 0.000 0.000 0.271 89 V C 1.187 177.256 176.094 -0.042 0.000 1.315 89 V CA -0.203 62.075 62.300 -0.036 0.000 1.072 89 V CB 0.004 31.799 31.823 -0.047 0.000 0.830 89 V HN 0.447 nan 8.190 nan 0.000 0.443 90 R N 1.918 122.398 120.500 -0.034 0.000 2.679 90 R HA 0.183 4.523 4.340 0.000 0.000 0.268 90 R C -2.531 173.748 176.300 -0.034 0.000 1.044 90 R CA -1.030 55.048 56.100 -0.036 0.000 1.105 90 R CB -0.613 29.674 30.300 -0.022 0.000 0.989 90 R HN 0.119 nan 8.270 nan 0.000 0.447 91 P HA -0.069 nan 4.420 nan 0.000 0.269 91 P C -0.444 176.848 177.300 -0.014 0.000 1.217 91 P CA -0.011 63.073 63.100 -0.026 0.000 0.783 91 P CB 0.590 32.271 31.700 -0.031 0.000 0.898 92 S N 1.889 117.588 115.700 -0.002 0.000 2.589 92 S HA 0.141 4.611 4.470 0.000 0.000 0.265 92 S C -1.682 172.909 174.600 -0.016 0.000 1.342 92 S CA -0.619 57.579 58.200 -0.003 0.000 1.005 92 S CB -0.459 62.749 63.200 0.013 0.000 0.909 92 S HN 0.283 nan 8.310 nan 0.000 0.555 93 P HA -0.009 nan 4.420 nan 0.000 0.220 93 P C 1.445 178.723 177.300 -0.036 0.000 1.148 93 P CA 0.328 63.414 63.100 -0.023 0.000 0.803 93 P CB -0.007 31.675 31.700 -0.029 0.000 0.782 94 L N -1.033 120.153 121.223 -0.061 0.000 2.156 94 L HA -0.068 4.272 4.340 0.000 0.000 0.208 94 L C 1.956 178.667 176.870 -0.266 0.000 1.095 94 L CA 2.035 56.804 54.840 -0.118 0.000 0.770 94 L CB -1.426 40.588 42.059 -0.076 0.000 0.914 94 L HN -0.077 nan 8.230 nan 0.000 0.439 95 T N -0.294 114.126 114.554 -0.222 0.000 2.737 95 T HA -0.139 4.211 4.350 0.000 0.000 0.265 95 T C 1.921 176.530 174.700 -0.152 0.000 1.038 95 T CA 1.774 63.715 62.100 -0.265 0.000 1.144 95 T CB -0.303 68.553 68.868 -0.020 0.000 0.866 95 T HN 0.264 nan 8.240 nan 0.000 0.434 96 L N 0.033 121.218 121.223 -0.064 0.000 2.093 96 L HA -0.089 4.251 4.340 0.000 0.000 0.208 96 L C 2.568 179.430 176.870 -0.014 0.000 1.085 96 L CA 1.558 56.382 54.840 -0.027 0.000 0.755 96 L CB -0.521 41.535 42.059 -0.006 0.000 0.904 96 L HN 0.396 nan 8.230 nan 0.000 0.435 97 H N -0.512 118.502 119.070 -0.094 0.000 2.363 97 H HA -0.103 4.453 4.556 0.000 0.000 0.301 97 H C 2.147 177.431 175.328 -0.074 0.000 1.074 97 H CA 1.886 57.890 56.048 -0.074 0.000 1.354 97 H CB 0.210 29.928 29.762 -0.073 0.000 1.397 97 H HN 0.051 nan 8.280 nan 0.000 0.516 98 T N -0.324 114.200 114.554 -0.049 0.000 2.857 98 T HA -0.076 4.274 4.350 0.000 0.000 0.266 98 T C 2.151 176.824 174.700 -0.045 0.000 1.048 98 T CA 1.087 63.128 62.100 -0.098 0.000 1.139 98 T CB -0.283 68.427 68.868 -0.262 0.000 0.874 98 T HN 0.122 nan 8.240 nan 0.000 0.455 99 V N 1.456 121.349 119.914 -0.035 0.000 2.307 99 V HA -0.103 4.017 4.120 0.000 0.000 0.245 99 V C 1.516 177.656 176.094 0.077 0.000 1.045 99 V CA 1.355 63.719 62.300 0.107 0.000 1.024 99 V CB -0.478 31.364 31.823 0.033 0.000 0.651 99 V HN 0.559 nan 8.190 nan 0.000 0.449 100 Q N -0.264 119.507 119.800 -0.049 0.000 2.526 100 Q HA 0.162 4.502 4.340 0.000 0.000 0.207 100 Q C 1.300 177.234 176.000 -0.111 0.000 1.078 100 Q CA 0.418 56.159 55.803 -0.104 0.000 1.041 100 Q CB 0.217 28.880 28.738 -0.125 0.000 1.228 100 Q HN 0.522 nan 8.270 nan 0.000 0.603 101 K N -1.610 118.710 120.400 -0.133 0.000 9.127 101 K HA -0.355 3.965 4.320 0.000 0.000 0.501 101 K C 1.057 177.649 176.600 -0.014 0.000 0.371 101 K CA 2.164 58.385 56.287 -0.110 0.000 1.951 101 K CB -1.862 30.514 32.500 -0.208 0.000 0.721 101 K HN 0.676 nan 8.250 nan 0.000 1.023 102 W N 1.658 122.863 121.300 -0.158 0.000 2.374 102 W HA 0.123 4.783 4.660 0.000 0.000 0.288 102 W C 1.726 178.172 176.519 -0.121 0.000 1.218 102 W CA 2.072 59.348 57.345 -0.115 0.000 1.245 102 W CB -0.114 29.279 29.460 -0.111 0.000 1.126 102 W HN 0.317 nan 8.180 nan 0.000 0.545 103 L N -0.315 120.729 121.223 -0.300 0.000 2.298 103 L HA -0.039 4.301 4.340 0.000 0.000 0.209 103 L C 2.423 179.123 176.870 -0.283 0.000 1.084 103 L CA 0.285 54.831 54.840 -0.491 0.000 0.816 103 L CB -0.669 41.113 42.059 -0.462 0.000 0.967 103 L HN 0.027 nan 8.230 nan 0.000 0.460 104 L N 0.539 121.655 121.223 -0.178 0.000 1.970 104 L HA -0.096 4.244 4.340 0.000 0.000 0.212 104 L C 1.624 178.431 176.870 -0.106 0.000 1.071 104 L CA 1.037 55.806 54.840 -0.118 0.000 0.751 104 L CB -0.186 41.820 42.059 -0.088 0.000 0.889 104 L HN 0.195 nan 8.230 nan 0.000 0.432 105 A N -1.393 121.370 122.820 -0.095 0.000 2.448 105 A HA 0.335 4.655 4.320 0.000 0.000 0.239 105 A C 1.241 178.743 177.584 -0.137 0.000 1.080 105 A CA 0.499 52.491 52.037 -0.076 0.000 0.779 105 A CB 0.026 19.009 19.000 -0.027 0.000 1.026 105 A HN 1.112 nan 8.150 nan 0.000 0.499 106 A N -0.598 122.163 122.820 -0.098 0.000 3.829 106 A HA 0.164 4.484 4.320 0.000 0.000 0.264 106 A C 2.233 179.758 177.584 -0.099 0.000 0.998 106 A CA 1.967 53.933 52.037 -0.119 0.000 1.270 106 A CB -1.925 16.929 19.000 -0.243 0.000 1.063 106 A HN 3.080 nan 8.150 nan 0.000 0.879 107 G N -1.760 106.985 108.800 -0.091 0.000 2.176 107 G HA2 0.212 4.172 3.960 0.000 0.000 0.253 107 G HA3 0.212 4.172 3.960 0.000 0.000 0.253 107 G C 1.178 176.047 174.900 -0.052 0.000 0.979 107 G CA 1.097 46.163 45.100 -0.057 0.000 0.641 107 G HN 2.572 nan 8.290 nan 0.000 0.530 108 A N 0.125 122.894 122.820 -0.086 0.000 2.608 108 A HA 0.356 4.676 4.320 0.000 0.000 0.246 108 A C 0.826 178.394 177.584 -0.027 0.000 0.998 108 A CA 1.473 53.474 52.037 -0.060 0.000 0.796 108 A CB 0.087 19.011 19.000 -0.127 0.000 0.895 108 A HN 0.681 nan 8.150 nan 0.000 0.508 109 Q N 1.214 121.032 119.800 0.030 0.000 2.293 109 Q HA 0.289 4.629 4.340 0.000 0.000 0.216 109 Q C -0.333 175.684 176.000 0.027 0.000 1.003 109 Q CA -1.113 54.709 55.803 0.032 0.000 0.995 109 Q CB 0.700 29.473 28.738 0.058 0.000 1.172 109 Q HN 0.704 nan 8.270 nan 0.000 0.518 110 K N 0.794 121.199 120.400 0.009 0.000 2.392 110 K HA -0.133 4.187 4.320 0.000 0.000 0.259 110 K C -0.933 175.583 176.600 -0.141 0.000 1.141 110 K CA 0.262 56.521 56.287 -0.047 0.000 1.208 110 K CB -0.509 31.977 32.500 -0.024 0.000 0.786 110 K HN 0.387 nan 8.250 nan 0.000 0.498 111 c N 3.086 121.556 118.600 -0.216 0.000 2.667 111 c HA 0.536 5.106 4.570 0.000 0.000 0.323 111 c C -0.527 173.329 174.090 -0.391 0.000 1.214 111 c CA -1.199 54.933 56.329 -0.328 0.000 1.721 111 c CB 0.842 43.285 42.510 -0.111 0.000 2.275 111 c HN 0.826 nan 8.230 nan 0.000 0.491 112 H N -0.554 118.553 119.070 0.062 0.000 2.679 112 H HA 0.788 5.344 4.556 0.000 0.000 0.367 112 H C 0.003 175.365 175.328 0.057 0.000 1.162 112 H CA -0.470 55.611 56.048 0.055 0.000 1.181 112 H CB 1.127 30.922 29.762 0.056 0.000 1.693 112 H HN 0.573 nan 8.280 nan 0.000 0.538 113 S N 0.195 116.007 115.700 0.186 0.000 2.618 113 S HA 0.794 5.264 4.470 0.000 0.000 0.284 113 S C -0.301 174.375 174.600 0.127 0.000 1.102 113 S CA 0.097 58.383 58.200 0.143 0.000 0.984 113 S CB 0.654 63.912 63.200 0.096 0.000 1.280 113 S HN 0.750 nan 8.310 nan 0.000 0.525 114 V N -1.113 118.868 119.914 0.112 0.000 3.103 114 V HA 0.601 4.721 4.120 0.000 0.000 0.311 114 V C 0.493 176.625 176.094 0.062 0.000 1.322 114 V CA -0.716 61.634 62.300 0.083 0.000 1.063 114 V CB 0.600 32.478 31.823 0.092 0.000 1.090 114 V HN 0.707 nan 8.190 nan 0.000 0.462 115 I N 1.529 122.125 120.570 0.042 0.000 2.286 115 I HA -0.115 4.055 4.170 0.000 0.000 0.248 115 I C 2.543 178.674 176.117 0.023 0.000 1.115 115 I CA 2.679 63.995 61.300 0.027 0.000 1.392 115 I CB -0.865 37.144 38.000 0.014 0.000 1.065 115 I HN 1.025 nan 8.210 nan 0.000 0.418 116 T N -2.707 111.865 114.554 0.031 0.000 3.113 116 T HA -0.027 4.323 4.350 0.000 0.000 0.256 116 T C 1.138 175.841 174.700 0.004 0.000 1.131 116 T CA 0.158 62.266 62.100 0.013 0.000 1.074 116 T CB -0.285 68.592 68.868 0.016 0.000 0.944 116 T HN 0.411 nan 8.240 nan 0.000 0.516 117 Q N 0.971 120.790 119.800 0.031 0.000 2.422 117 Q HA -0.202 4.138 4.340 0.000 0.000 0.245 117 Q C -0.289 175.698 176.000 -0.021 0.000 0.922 117 Q CA 1.049 56.865 55.803 0.023 0.000 1.192 117 Q CB -1.195 27.549 28.738 0.009 0.000 1.641 117 Q HN 0.900 nan 8.270 nan 0.000 0.552 118 D N -0.932 119.424 120.400 -0.074 0.000 2.388 118 D HA 0.195 4.835 4.640 0.000 0.000 0.221 118 D C -0.110 175.856 176.300 -0.557 0.000 1.133 118 D CA 0.198 54.030 54.000 -0.281 0.000 0.831 118 D CB -0.000 40.584 40.800 -0.360 0.000 0.962 118 D HN 0.160 nan 8.370 nan 0.000 0.502 119 F N -0.307 119.640 119.950 -0.004 0.000 2.601 119 F HA 0.520 5.047 4.527 0.000 0.000 0.309 119 F C -1.028 174.798 175.800 0.043 0.000 1.089 119 F CA -1.350 56.654 58.000 0.007 0.000 0.940 119 F CB 2.426 41.420 39.000 -0.009 0.000 1.273 119 F HN -0.270 nan 8.300 nan 0.000 0.450 120 L N 2.179 123.585 121.223 0.305 0.000 2.528 120 L HA 0.566 4.906 4.340 0.000 0.000 0.267 120 L C -0.958 176.067 176.870 0.258 0.000 0.961 120 L CA -0.153 54.827 54.840 0.235 0.000 0.866 120 L CB 1.924 44.085 42.059 0.169 0.000 1.248 120 L HN 0.563 nan 8.230 nan 0.000 0.404 121 T N 3.627 118.285 114.554 0.173 0.000 2.771 121 T HA 0.674 5.024 4.350 0.000 0.000 0.281 121 T C -0.469 174.240 174.700 0.015 0.000 0.982 121 T CA -0.294 61.852 62.100 0.077 0.000 0.978 121 T CB 0.775 69.676 68.868 0.056 0.000 0.930 121 T HN 0.626 nan 8.240 nan 0.000 0.447 122 c N 2.068 120.639 118.600 -0.049 0.000 3.044 122 c HA 0.631 5.201 4.570 0.000 0.000 0.315 122 c C -1.010 172.927 174.090 -0.255 0.000 1.320 122 c CA -1.245 55.035 56.329 -0.082 0.000 1.582 122 c CB 1.292 43.829 42.510 0.045 0.000 2.039 122 c HN 0.991 nan 8.230 nan 0.000 0.466 123 W N 1.770 123.063 121.300 -0.011 0.000 2.329 123 W HA 0.737 5.397 4.660 0.000 0.000 0.312 123 W C -0.651 175.842 176.519 -0.043 0.000 1.054 123 W CA -0.247 57.082 57.345 -0.028 0.000 1.245 123 W CB 0.742 30.186 29.460 -0.026 0.000 1.255 123 W HN 0.295 nan 8.180 nan 0.000 0.436 124 L N 3.267 124.597 121.223 0.178 0.000 2.388 124 L HA 0.485 4.825 4.340 0.000 0.000 0.264 124 L C 0.505 177.412 176.870 0.060 0.000 0.998 124 L CA -0.997 53.891 54.840 0.080 0.000 0.817 124 L CB 2.145 44.211 42.059 0.013 0.000 1.338 124 L HN 0.392 nan 8.230 nan 0.000 0.414 125 S N 1.509 117.228 115.700 0.032 0.000 2.585 125 S HA 0.190 4.660 4.470 0.000 0.000 0.273 125 S C 1.259 175.844 174.600 -0.024 0.000 1.339 125 S CA -0.376 57.826 58.200 0.003 0.000 1.028 125 S CB 0.597 63.799 63.200 0.003 0.000 0.906 125 S HN 0.632 nan 8.310 nan 0.000 0.528 126 I N 0.200 120.739 120.570 -0.051 0.000 2.315 126 I HA -0.153 4.017 4.170 0.000 0.000 0.248 126 I C 2.277 178.462 176.117 0.113 0.000 1.117 126 I CA 1.199 62.470 61.300 -0.048 0.000 1.404 126 I CB -0.465 37.507 38.000 -0.046 0.000 1.071 126 I HN 0.758 nan 8.210 nan 0.000 0.419 127 R N 1.260 121.805 120.500 0.076 0.000 2.152 127 R HA -0.106 4.234 4.340 0.000 0.000 0.232 127 R C 1.961 178.307 176.300 0.076 0.000 1.117 127 R CA 1.435 57.586 56.100 0.083 0.000 0.981 127 R CB -1.104 29.227 30.300 0.051 0.000 0.870 127 R HN 0.541 nan 8.270 nan 0.000 0.451 128 Q N 0.575 120.407 119.800 0.053 0.000 2.049 128 Q HA 0.089 4.430 4.340 0.000 0.000 0.198 128 Q C 2.365 178.400 176.000 0.058 0.000 0.971 128 Q CA 1.391 57.215 55.803 0.036 0.000 0.833 128 Q CB -0.164 28.579 28.738 0.008 0.000 0.896 128 Q HN 0.516 nan 8.270 nan 0.000 0.434 129 A N 1.088 123.960 122.820 0.088 0.000 1.972 129 A HA -0.215 4.105 4.320 0.000 0.000 0.219 129 A C 1.746 179.481 177.584 0.252 0.000 1.169 129 A CA 1.404 53.535 52.037 0.157 0.000 0.635 129 A CB -0.304 18.776 19.000 0.133 0.000 0.810 129 A HN 0.308 nan 8.150 nan 0.000 0.446 130 E N -0.489 119.870 120.200 0.265 0.000 2.152 130 E HA -0.049 4.301 4.350 0.000 0.000 0.192 130 E C 1.747 178.433 176.600 0.143 0.000 0.983 130 E CA 0.480 57.005 56.400 0.207 0.000 0.818 130 E CB -0.060 29.753 29.700 0.188 0.000 0.758 130 E HN 0.450 nan 8.360 nan 0.000 0.467 131 L N 0.817 122.114 121.223 0.125 0.000 2.095 131 L HA -0.074 4.267 4.340 0.000 0.000 0.204 131 L C 2.372 179.324 176.870 0.135 0.000 1.080 131 L CA 0.799 55.705 54.840 0.110 0.000 0.759 131 L CB -0.800 41.307 42.059 0.081 0.000 0.914 131 L HN 0.305 nan 8.230 nan 0.000 0.439 132 L N 0.366 121.660 121.223 0.118 0.000 2.131 132 L HA -0.102 4.238 4.340 0.000 0.000 0.210 132 L C 0.908 177.945 176.870 0.278 0.000 1.092 132 L CA 1.465 56.376 54.840 0.118 0.000 0.759 132 L CB -0.095 41.939 42.059 -0.041 0.000 0.903 132 L HN 0.177 nan 8.230 nan 0.000 0.435 133 L N 1.694 123.070 121.223 0.256 0.000 2.556 133 L HA 0.332 4.672 4.340 0.000 0.000 0.243 133 L C -2.288 174.728 176.870 0.243 0.000 1.331 133 L CA -1.712 53.317 54.840 0.315 0.000 0.927 133 L CB 0.915 43.138 42.059 0.274 0.000 1.219 133 L HN -0.028 nan 8.230 nan 0.000 0.490 134 P HA 0.095 nan 4.420 nan 0.000 0.262 134 P C 0.993 178.375 177.300 0.137 0.000 1.182 134 P CA 0.876 64.067 63.100 0.152 0.000 0.761 134 P CB 1.013 32.794 31.700 0.135 0.000 0.795 135 G N 1.873 110.735 108.800 0.104 0.000 2.307 135 G HA2 -0.139 3.821 3.960 0.000 0.000 0.210 135 G HA3 -0.139 3.821 3.960 0.000 0.000 0.210 135 G C 0.385 175.343 174.900 0.098 0.000 1.005 135 G CA -0.057 45.101 45.100 0.096 0.000 0.634 135 G HN 0.822 nan 8.290 nan 0.000 0.496 136 A N 0.538 123.385 122.820 0.046 0.000 2.477 136 A HA 0.570 4.890 4.320 0.000 0.000 0.246 136 A C 0.371 177.821 177.584 -0.223 0.000 1.078 136 A CA 1.299 53.229 52.037 -0.179 0.000 0.770 136 A CB 0.361 19.128 19.000 -0.389 0.000 1.011 136 A HN 0.874 nan 8.150 nan 0.000 0.494 137 E N 2.614 122.632 120.200 -0.302 0.000 2.528 137 E HA 0.407 4.757 4.350 0.000 0.000 0.277 137 E C -1.765 174.769 176.600 -0.109 0.000 0.980 137 E CA -0.377 55.944 56.400 -0.131 0.000 0.796 137 E CB 0.449 30.195 29.700 0.077 0.000 1.427 137 E HN 0.489 nan 8.360 nan 0.000 0.394 138 F N 2.834 122.833 119.950 0.082 0.000 2.438 138 F HA 0.299 4.826 4.527 0.000 0.000 0.356 138 F C 0.689 176.520 175.800 0.051 0.000 1.099 138 F CA 0.069 58.123 58.000 0.090 0.000 1.185 138 F CB 0.493 39.508 39.000 0.024 0.000 1.115 138 F HN 0.503 nan 8.300 nan 0.000 0.526 139 H N 0.296 119.514 119.070 0.247 0.000 2.630 139 H HA 0.542 5.098 4.556 0.000 0.000 0.343 139 H C -0.777 174.611 175.328 0.099 0.000 1.232 139 H CA -0.869 55.241 56.048 0.104 0.000 1.294 139 H CB 1.279 30.965 29.762 -0.126 0.000 1.746 139 H HN 0.651 nan 8.280 nan 0.000 0.593 140 H N -1.632 117.274 119.070 -0.274 0.000 2.806 140 H HA 0.606 5.162 4.556 0.000 0.000 0.367 140 H C -1.589 173.513 175.328 -0.378 0.000 1.136 140 H CA -0.860 55.072 56.048 -0.194 0.000 1.178 140 H CB 1.385 31.184 29.762 0.062 0.000 1.718 140 H HN 0.452 nan 8.280 nan 0.000 0.540 141 Y N 0.823 121.212 120.300 0.148 0.000 2.638 141 Y HA 0.621 5.171 4.550 0.000 0.000 0.339 141 Y C -0.963 175.159 175.900 0.369 0.000 1.084 141 Y CA -1.373 56.885 58.100 0.262 0.000 1.068 141 Y CB 2.423 41.110 38.460 0.379 0.000 1.294 141 Y HN 0.513 nan 8.280 nan 0.000 0.480 142 V N 0.675 120.952 119.914 0.605 0.000 2.733 142 V HA 0.917 5.037 4.120 0.000 0.000 0.306 142 V C -0.350 175.854 176.094 0.184 0.000 1.084 142 V CA -0.576 61.972 62.300 0.414 0.000 0.905 142 V CB 1.555 33.529 31.823 0.253 0.000 1.010 142 V HN 1.001 nan 8.190 nan 0.000 0.424 143 G N 1.263 109.889 108.800 -0.290 0.000 2.660 143 G HA2 0.914 4.874 3.960 0.000 0.000 0.290 143 G HA3 0.914 4.874 3.960 0.000 0.000 0.290 143 G C -0.344 174.070 174.900 -0.809 0.000 1.432 143 G CA 0.317 44.823 45.100 -0.990 0.000 0.807 143 G HN 1.722 nan 8.290 nan 0.000 0.485 144 G N -0.246 108.142 108.800 -0.687 0.000 2.422 144 G HA2 0.271 4.231 3.960 0.000 0.000 0.607 144 G HA3 0.271 4.231 3.960 0.000 0.000 0.607 144 G C -1.931 172.844 174.900 -0.208 0.000 1.270 144 G CA 0.328 45.202 45.100 -0.377 0.000 0.992 144 G HN 0.745 nan 8.290 nan 0.000 0.499 145 P HA 0.112 nan 4.420 nan 0.000 0.215 145 P C 1.563 178.837 177.300 -0.043 0.000 1.160 145 P CA 2.067 65.129 63.100 -0.064 0.000 0.869 145 P CB -0.459 31.222 31.700 -0.032 0.000 0.782 146 T N -0.748 113.792 114.554 -0.023 0.000 2.667 146 T HA 0.209 4.559 4.350 0.000 0.000 0.305 146 T C 0.012 174.694 174.700 -0.031 0.000 1.022 146 T CA -0.352 61.752 62.100 0.006 0.000 0.995 146 T CB 0.204 69.104 68.868 0.054 0.000 1.026 146 T HN 0.028 nan 8.240 nan 0.000 0.527 147 E N -0.064 120.143 120.200 0.012 0.000 2.761 147 E HA 0.326 4.676 4.350 0.000 0.000 0.266 147 E C -0.945 175.699 176.600 0.072 0.000 1.097 147 E CA -0.306 56.097 56.400 0.005 0.000 0.773 147 E CB 1.425 31.140 29.700 0.025 0.000 1.453 147 E HN 0.616 nan 8.360 nan 0.000 0.388 148 T N 0.872 115.474 114.554 0.081 0.000 2.882 148 T HA 0.107 4.457 4.350 0.000 0.000 0.287 148 T C -0.584 174.310 174.700 0.324 0.000 0.992 148 T CA -0.429 61.783 62.100 0.186 0.000 1.076 148 T CB 0.561 69.561 68.868 0.221 0.000 0.961 148 T HN 0.428 nan 8.240 nan 0.000 0.490 149 H N 3.601 122.785 119.070 0.190 0.000 2.525 149 H HA 0.570 5.126 4.556 0.000 0.000 0.339 149 H C -0.532 174.954 175.328 0.264 0.000 1.109 149 H CA -0.381 55.811 56.048 0.240 0.000 1.352 149 H CB 1.079 30.918 29.762 0.128 0.000 1.461 149 H HN 0.546 nan 8.280 nan 0.000 0.533 150 V N 1.951 121.705 119.914 -0.266 0.000 3.114 150 V HA 0.464 4.584 4.120 0.000 0.000 0.308 150 V C -1.014 174.910 176.094 -0.283 0.000 1.168 150 V CA -0.965 61.205 62.300 -0.218 0.000 1.015 150 V CB 1.689 33.425 31.823 -0.144 0.000 1.050 150 V HN 0.446 nan 8.190 nan 0.000 0.433 151 V N 3.618 123.447 119.914 -0.143 0.000 2.378 151 V HA 0.757 4.877 4.120 0.000 0.000 0.288 151 V C -0.123 176.009 176.094 0.063 0.000 1.016 151 V CA -0.420 61.885 62.300 0.008 0.000 0.840 151 V CB 1.136 32.916 31.823 -0.072 0.000 0.994 151 V HN 0.966 nan 8.190 nan 0.000 0.431 152 R N 2.198 122.848 120.500 0.250 0.000 2.836 152 R HA 0.636 4.976 4.340 0.000 0.000 0.269 152 R C -0.743 175.751 176.300 0.324 0.000 1.010 152 R CA -0.763 55.432 56.100 0.158 0.000 0.930 152 R CB 2.139 32.242 30.300 -0.328 0.000 1.218 152 R HN 0.560 nan 8.270 nan 0.000 0.473 153 S N 1.879 117.652 115.700 0.122 0.000 2.474 153 S HA 0.397 4.867 4.470 0.000 0.000 0.321 153 S C -1.820 172.876 174.600 0.159 0.000 1.080 153 S CA -1.702 56.522 58.200 0.040 0.000 1.106 153 S CB 1.025 64.063 63.200 -0.269 0.000 0.984 153 S HN 0.302 nan 8.310 nan 0.000 0.464 154 P HA 0.138 nan 4.420 nan 0.000 0.249 154 P C -0.354 176.941 177.300 -0.008 0.000 1.229 154 P CA 0.292 63.366 63.100 -0.044 0.000 0.788 154 P CB 0.036 31.633 31.700 -0.173 0.000 1.072 155 H N 0.981 120.086 119.070 0.059 0.000 2.479 155 H HA 0.390 4.946 4.556 0.000 0.000 0.335 155 H C -2.115 173.287 175.328 0.124 0.000 1.142 155 H CA -3.095 52.980 56.048 0.045 0.000 1.234 155 H CB 0.475 30.262 29.762 0.041 0.000 1.503 155 H HN 0.019 nan 8.280 nan 0.000 0.510 156 P HA 0.088 nan 4.420 nan 0.000 0.274 156 P C -0.819 176.621 177.300 0.233 0.000 1.237 156 P CA -0.158 63.066 63.100 0.206 0.000 0.793 156 P CB 0.748 32.460 31.700 0.021 0.000 0.977 157 Y N -1.604 118.759 120.300 0.106 0.000 2.562 157 Y HA 0.671 5.221 4.550 0.000 0.000 0.343 157 Y C -0.517 175.413 175.900 0.048 0.000 1.025 157 Y CA -1.140 56.996 58.100 0.060 0.000 1.082 157 Y CB 1.497 39.978 38.460 0.034 0.000 1.264 157 Y HN 0.301 nan 8.280 nan 0.000 0.478 158 Q N 2.620 122.470 119.800 0.083 0.000 2.413 158 Q HA 0.580 4.920 4.340 0.000 0.000 0.276 158 Q C -1.493 174.638 176.000 0.219 0.000 1.099 158 Q CA -1.082 54.722 55.803 0.002 0.000 0.814 158 Q CB 3.381 32.129 28.738 0.017 0.000 1.379 158 Q HN 0.752 nan 8.270 nan 0.000 0.436 159 L N 2.297 123.639 121.223 0.199 0.000 2.344 159 L HA 0.532 4.872 4.340 0.000 0.000 0.272 159 L C -2.181 174.793 176.870 0.174 0.000 1.035 159 L CA -2.196 52.811 54.840 0.278 0.000 0.807 159 L CB 1.232 43.457 42.059 0.278 0.000 1.237 159 L HN 0.339 nan 8.230 nan 0.000 0.442 160 P HA 0.002 nan 4.420 nan 0.000 0.271 160 P C -0.250 177.037 177.300 -0.022 0.000 1.218 160 P CA -0.278 62.847 63.100 0.043 0.000 0.780 160 P CB 0.952 32.658 31.700 0.011 0.000 0.901 161 Q N 3.292 123.092 119.800 0.000 0.000 2.197 161 Q HA -0.217 4.124 4.340 0.000 0.000 0.207 161 Q C 2.021 177.957 176.000 -0.107 0.000 0.984 161 Q CA 2.370 58.153 55.803 -0.033 0.000 0.869 161 Q CB -1.237 27.488 28.738 -0.022 0.000 0.906 161 Q HN 0.558 nan 8.270 nan 0.000 0.426 162 A N 0.758 123.510 122.820 -0.114 0.000 1.859 162 A HA -0.194 4.127 4.320 0.000 0.000 0.218 162 A C 1.681 179.177 177.584 -0.147 0.000 1.209 162 A CA 1.898 53.858 52.037 -0.129 0.000 0.639 162 A CB -1.114 17.791 19.000 -0.159 0.000 0.835 162 A HN 0.623 nan 8.150 nan 0.000 0.450 163 L N -3.593 117.491 121.223 -0.231 0.000 2.912 163 L HA 0.638 4.978 4.340 0.000 0.000 0.240 163 L C 1.546 178.310 176.870 -0.178 0.000 1.262 163 L CA 0.562 55.294 54.840 -0.178 0.000 1.058 163 L CB -0.377 41.436 42.059 -0.409 0.000 1.383 163 L HN 0.251 nan 8.230 nan 0.000 0.512 164 A N 2.018 124.707 122.820 -0.218 0.000 1.902 164 A HA 0.004 4.324 4.320 0.000 0.000 0.217 164 A C -0.135 177.266 177.584 -0.305 0.000 1.181 164 A CA 1.414 53.284 52.037 -0.278 0.000 0.623 164 A CB -1.476 17.212 19.000 -0.521 0.000 0.818 164 A HN 0.612 nan 8.150 nan 0.000 0.443 165 P HA 0.090 nan 4.420 nan 0.000 0.257 165 P C -0.080 176.916 177.300 -0.506 0.000 1.281 165 P CA 0.870 63.679 63.100 -0.486 0.000 0.826 165 P CB -0.221 31.130 31.700 -0.583 0.000 1.237 166 H N -2.275 116.743 119.070 -0.087 0.000 3.255 166 H HA 0.246 4.802 4.556 0.000 0.000 0.256 166 H C 0.115 175.421 175.328 -0.037 0.000 1.049 166 H CA -0.153 55.854 56.048 -0.068 0.000 1.202 166 H CB 1.080 30.789 29.762 -0.088 0.000 1.497 166 H HN -0.166 nan 8.280 nan 0.000 0.503 167 V N 1.339 121.300 119.914 0.079 0.000 2.588 167 V HA 0.085 4.205 4.120 0.000 0.000 0.304 167 V C -0.217 175.945 176.094 0.113 0.000 1.042 167 V CA -0.595 61.774 62.300 0.115 0.000 0.877 167 V CB 2.278 34.239 31.823 0.228 0.000 0.996 167 V HN 0.220 nan 8.190 nan 0.000 0.425 168 D N 2.719 123.154 120.400 0.058 0.000 2.202 168 D HA 0.157 4.797 4.640 0.000 0.000 0.214 168 D C 0.148 176.649 176.300 0.334 0.000 0.967 168 D CA 1.746 55.825 54.000 0.132 0.000 0.871 168 D CB 0.393 41.222 40.800 0.048 0.000 1.020 168 D HN 0.540 nan 8.370 nan 0.000 0.474 169 F N -2.111 117.988 119.950 0.248 0.000 2.779 169 F HA 0.552 5.079 4.527 0.000 0.000 0.316 169 F C -1.556 174.399 175.800 0.258 0.000 1.164 169 F CA -1.403 56.780 58.000 0.306 0.000 0.924 169 F CB 1.142 40.318 39.000 0.294 0.000 1.348 169 F HN -0.383 nan 8.300 nan 0.000 0.467 170 V N 1.758 121.960 119.914 0.481 0.000 2.378 170 V HA 0.684 4.804 4.120 0.000 0.000 0.288 170 V C 0.444 176.592 176.094 0.089 0.000 1.016 170 V CA -0.495 61.818 62.300 0.020 0.000 0.840 170 V CB 0.974 32.621 31.823 -0.293 0.000 0.994 170 V HN 1.144 nan 8.190 nan 0.000 0.431 171 G N 2.531 111.401 108.800 0.116 0.000 2.406 171 G HA2 0.489 4.449 3.960 0.000 0.000 0.251 171 G HA3 0.489 4.449 3.960 0.000 0.000 0.251 171 G C 0.894 175.704 174.900 -0.151 0.000 1.271 171 G CA 0.559 45.718 45.100 0.098 0.000 0.859 171 G HN 1.771 nan 8.290 nan 0.000 0.540 172 G N 0.752 109.448 108.800 -0.174 0.000 2.143 172 G HA2 -0.191 3.769 3.960 0.000 0.000 0.175 172 G HA3 -0.191 3.769 3.960 0.000 0.000 0.175 172 G C 0.745 175.502 174.900 -0.239 0.000 1.004 172 G CA 0.367 45.334 45.100 -0.221 0.000 0.671 172 G HN 0.644 nan 8.290 nan 0.000 0.512 173 L N -1.482 119.534 121.223 -0.345 0.000 2.467 173 L HA 0.435 4.776 4.340 0.000 0.000 0.213 173 L C 1.999 178.541 176.870 -0.547 0.000 1.053 173 L CA 1.645 56.184 54.840 -0.501 0.000 0.847 173 L CB 0.187 41.697 42.059 -0.915 0.000 1.075 173 L HN 0.407 nan 8.230 nan 0.000 0.479 174 H N -2.801 116.131 119.070 -0.230 0.000 3.436 174 H HA 0.299 4.855 4.556 0.000 0.000 0.244 174 H C 0.252 175.380 175.328 -0.334 0.000 1.009 174 H CA -0.488 55.412 56.048 -0.246 0.000 1.129 174 H CB 0.745 30.433 29.762 -0.124 0.000 1.473 174 H HN -0.074 nan 8.280 nan 0.000 0.510 175 R N 1.523 121.890 120.500 -0.221 0.000 2.267 175 R HA 0.216 4.556 4.340 0.000 0.000 0.319 175 R C -1.173 174.945 176.300 -0.304 0.000 1.067 175 R CA -0.308 55.671 56.100 -0.202 0.000 0.936 175 R CB 0.533 30.687 30.300 -0.245 0.000 1.006 175 R HN 0.003 nan 8.270 nan 0.000 0.452 176 F N 4.265 124.063 119.950 -0.254 0.000 2.375 176 F HA 0.272 4.799 4.527 0.000 0.000 0.333 176 F C -1.188 174.583 175.800 -0.049 0.000 1.104 176 F CA -1.944 55.866 58.000 -0.317 0.000 1.149 176 F CB 0.467 39.055 39.000 -0.686 0.000 1.190 176 F HN 0.349 nan 8.300 nan 0.000 0.533 177 P HA 0.127 nan 4.420 nan 0.000 0.272 177 P C -2.605 174.946 177.300 0.418 0.000 1.230 177 P CA -1.243 62.068 63.100 0.350 0.000 0.788 177 P CB -0.245 31.677 31.700 0.370 0.000 0.949 178 P HA 0.017 nan 4.420 nan 0.000 0.269 178 P C 0.344 177.779 177.300 0.224 0.000 1.215 178 P CA 0.216 63.444 63.100 0.214 0.000 0.780 178 P CB 0.595 32.378 31.700 0.139 0.000 0.898 179 T N -0.419 114.219 114.554 0.141 0.000 2.987 179 T HA 0.051 4.401 4.350 0.000 0.000 0.248 179 T C 1.118 175.819 174.700 0.002 0.000 0.997 179 T CA 0.363 62.492 62.100 0.048 0.000 1.013 179 T CB -0.227 68.635 68.868 -0.010 0.000 1.077 179 T HN 0.487 nan 8.240 nan 0.000 0.483 198 L N 0.909 122.242 121.223 0.182 0.000 2.399 198 L HA 0.474 4.814 4.340 0.000 0.000 0.266 198 L C 1.057 178.065 176.870 0.230 0.000 1.114 198 L CA -0.466 54.442 54.840 0.114 0.000 0.804 198 L CB 0.704 42.745 42.059 -0.031 0.000 1.146 198 L HN 0.799 nan 8.230 nan 0.000 0.451 199 G N 1.101 109.969 108.800 0.114 0.000 2.378 199 G HA2 0.358 4.318 3.960 0.000 0.000 0.255 199 G HA3 0.358 4.318 3.960 0.000 0.000 0.255 199 G C -0.332 174.608 174.900 0.067 0.000 1.270 199 G CA -0.397 44.693 45.100 -0.017 0.000 0.876 199 G HN 0.299 nan 8.290 nan 0.000 0.521 200 V N 2.690 122.586 119.914 -0.030 0.000 2.488 200 V HA 0.355 4.475 4.120 0.000 0.000 0.277 200 V C 0.806 176.846 176.094 -0.090 0.000 1.046 200 V CA 0.057 62.255 62.300 -0.170 0.000 0.986 200 V CB 1.006 32.445 31.823 -0.640 0.000 0.989 200 V HN 0.785 nan 8.190 nan 0.000 0.475 201 T N 6.896 121.419 114.554 -0.052 0.000 2.930 201 T HA 0.395 4.745 4.350 0.000 0.000 0.290 201 T C -1.869 172.833 174.700 0.004 0.000 1.052 201 T CA -1.244 60.795 62.100 -0.101 0.000 1.017 201 T CB 2.201 71.009 68.868 -0.100 0.000 1.137 201 T HN 0.355 nan 8.240 nan 0.000 0.511 202 P HA -0.106 nan 4.420 nan 0.000 0.216 202 P C 1.470 178.813 177.300 0.072 0.000 1.153 202 P CA 1.143 64.299 63.100 0.094 0.000 0.858 202 P CB 0.039 31.826 31.700 0.146 0.000 0.789 203 S N -0.801 114.952 115.700 0.089 0.000 2.382 203 S HA -0.117 4.353 4.470 0.000 0.000 0.228 203 S C 2.040 176.651 174.600 0.018 0.000 1.027 203 S CA 1.257 59.502 58.200 0.075 0.000 0.991 203 S CB -1.574 61.675 63.200 0.081 0.000 0.823 203 S HN -0.023 nan 8.310 nan 0.000 0.469 204 V N 2.188 122.104 119.914 0.003 0.000 2.343 204 V HA -0.137 3.984 4.120 0.000 0.000 0.247 204 V C 2.190 178.246 176.094 -0.063 0.000 1.051 204 V CA 1.519 63.807 62.300 -0.020 0.000 1.036 204 V CB -0.683 31.139 31.823 -0.002 0.000 0.654 204 V HN 0.460 nan 8.190 nan 0.000 0.451 205 I N -0.553 119.983 120.570 -0.055 0.000 2.315 205 I HA -0.196 3.974 4.170 0.000 0.000 0.248 205 I C 2.710 178.784 176.117 -0.071 0.000 1.117 205 I CA 1.430 62.681 61.300 -0.082 0.000 1.404 205 I CB -0.344 37.708 38.000 0.087 0.000 1.071 205 I HN 0.225 nan 8.210 nan 0.000 0.419 206 R N 0.254 120.729 120.500 -0.042 0.000 2.119 206 R HA -0.086 4.254 4.340 0.000 0.000 0.222 206 R C 2.303 178.582 176.300 -0.034 0.000 1.088 206 R CA 0.590 56.661 56.100 -0.049 0.000 0.984 206 R CB -0.199 30.052 30.300 -0.081 0.000 0.884 206 R HN 0.187 nan 8.270 nan 0.000 0.447 207 K N 1.181 121.555 120.400 -0.043 0.000 2.025 207 K HA -0.137 4.183 4.320 0.000 0.000 0.207 207 K C 2.088 178.649 176.600 -0.065 0.000 1.049 207 K CA 1.280 57.544 56.287 -0.037 0.000 0.933 207 K CB -0.017 32.461 32.500 -0.037 0.000 0.714 207 K HN -0.091 nan 8.250 nan 0.000 0.438 208 R N -0.027 120.379 120.500 -0.157 0.000 2.092 208 R HA -0.089 4.251 4.340 0.000 0.000 0.231 208 R C 1.207 177.371 176.300 -0.226 0.000 1.119 208 R CA 1.546 57.490 56.100 -0.259 0.000 0.970 208 R CB -0.538 29.503 30.300 -0.430 0.000 0.864 208 R HN 0.299 nan 8.270 nan 0.000 0.440 209 Y N 0.561 120.869 120.300 0.013 0.000 2.625 209 Y HA 0.268 4.819 4.550 0.000 0.000 0.285 209 Y C -0.021 175.910 175.900 0.052 0.000 1.168 209 Y CA -0.683 57.430 58.100 0.022 0.000 1.250 209 Y CB 0.217 38.675 38.460 -0.002 0.000 1.130 209 Y HN 0.062 nan 8.280 nan 0.000 0.526 210 N N 0.729 119.513 118.700 0.140 0.000 2.721 210 N HA -0.185 4.555 4.740 0.000 0.000 0.249 210 N C -0.910 174.679 175.510 0.133 0.000 1.072 210 N CA 0.600 53.725 53.050 0.124 0.000 0.710 210 N CB -1.001 37.573 38.487 0.145 0.000 0.993 210 N HN 0.267 nan 8.380 nan 0.000 0.547 211 L N 0.571 121.813 121.223 0.031 0.000 2.331 211 L HA 0.249 4.589 4.340 0.000 0.000 0.278 211 L C 1.427 178.266 176.870 -0.051 0.000 1.106 211 L CA 0.558 55.325 54.840 -0.122 0.000 0.824 211 L CB 1.036 42.948 42.059 -0.245 0.000 1.142 211 L HN 0.045 nan 8.230 nan 0.000 0.443 212 T N 1.130 115.660 114.554 -0.040 0.000 2.824 212 T HA 0.119 4.469 4.350 0.000 0.000 0.277 212 T C 1.320 176.025 174.700 0.008 0.000 0.975 212 T CA -0.043 62.064 62.100 0.012 0.000 0.966 212 T CB 1.219 70.117 68.868 0.050 0.000 1.054 212 T HN 0.795 nan 8.240 nan 0.000 0.533 213 S N 0.621 116.350 115.700 0.048 0.000 2.474 213 S HA -0.076 4.394 4.470 0.000 0.000 0.235 213 S C 1.414 176.064 174.600 0.083 0.000 0.997 213 S CA 0.616 58.868 58.200 0.086 0.000 0.949 213 S CB -0.084 63.166 63.200 0.083 0.000 0.766 213 S HN 0.580 nan 8.310 nan 0.000 0.517 214 Q N 0.846 120.681 119.800 0.058 0.000 2.396 214 Q HA 0.194 4.534 4.340 0.000 0.000 0.209 214 Q C -0.420 175.613 176.000 0.055 0.000 0.906 214 Q CA 0.284 56.123 55.803 0.061 0.000 0.927 214 Q CB -0.129 28.648 28.738 0.065 0.000 1.069 214 Q HN 0.541 nan 8.270 nan 0.000 0.523 215 D N 1.540 121.945 120.400 0.009 0.000 2.545 215 D HA 0.188 4.828 4.640 0.000 0.000 0.227 215 D C -0.355 175.885 176.300 -0.100 0.000 1.150 215 D CA 0.255 54.220 54.000 -0.058 0.000 1.046 215 D CB 0.339 40.972 40.800 -0.278 0.000 1.098 215 D HN -0.170 nan 8.370 nan 0.000 0.502 216 V N -0.269 119.649 119.914 0.006 0.000 3.232 216 V HA 0.563 4.683 4.120 0.000 0.000 0.303 216 V C 0.556 176.675 176.094 0.042 0.000 1.311 216 V CA -1.283 61.028 62.300 0.018 0.000 1.061 216 V CB 2.302 34.166 31.823 0.068 0.000 1.085 216 V HN 0.361 nan 8.190 nan 0.000 0.447 217 G N 0.755 109.581 108.800 0.044 0.000 2.403 217 G HA2 0.436 4.396 3.960 0.000 0.000 0.259 217 G HA3 0.436 4.396 3.960 0.000 0.000 0.259 217 G C 0.294 175.208 174.900 0.025 0.000 1.244 217 G CA 0.385 45.505 45.100 0.034 0.000 0.849 217 G HN 1.030 nan 8.290 nan 0.000 0.532 218 S N 1.665 117.366 115.700 0.001 0.000 3.548 218 S HA 0.300 4.770 4.470 0.000 0.000 0.195 218 S C 1.062 175.665 174.600 0.005 0.000 1.432 218 S CA -0.154 58.045 58.200 -0.002 0.000 1.087 218 S CB 0.678 63.864 63.200 -0.022 0.000 1.337 218 S HN 0.946 nan 8.310 nan 0.000 0.505 219 G N 1.905 110.717 108.800 0.020 0.000 2.608 219 G HA2 0.257 4.217 3.960 0.000 0.000 0.283 219 G HA3 0.257 4.217 3.960 0.000 0.000 0.283 219 G C 0.459 175.375 174.900 0.027 0.000 0.648 219 G CA -0.039 45.079 45.100 0.030 0.000 2.117 219 G HN 0.689 nan 8.290 nan 0.000 0.545 220 T N -1.894 112.672 114.554 0.020 0.000 3.399 220 T HA 0.389 4.739 4.350 0.000 0.000 0.305 220 T C 0.549 175.264 174.700 0.024 0.000 0.983 220 T CA -0.022 62.091 62.100 0.022 0.000 0.967 220 T CB 0.591 69.467 68.868 0.014 0.000 1.186 220 T HN 0.395 nan 8.240 nan 0.000 0.504 221 S N 0.474 116.191 115.700 0.029 0.000 2.786 221 S HA 0.471 4.941 4.470 0.000 0.000 0.307 221 S C 0.367 175.003 174.600 0.060 0.000 1.121 221 S CA -0.720 57.502 58.200 0.036 0.000 0.975 221 S CB 1.365 64.577 63.200 0.021 0.000 1.220 221 S HN 0.134 nan 8.310 nan 0.000 0.550 222 N N 1.467 120.215 118.700 0.080 0.000 2.268 222 N HA 0.102 4.843 4.740 0.000 0.000 0.204 222 N C -0.424 175.180 175.510 0.156 0.000 1.124 222 N CA -0.012 53.102 53.050 0.107 0.000 0.838 222 N CB -0.484 38.065 38.487 0.103 0.000 0.994 222 N HN 0.492 nan 8.380 nan 0.000 0.489 223 N N 0.871 119.658 118.700 0.145 0.000 2.468 223 N HA -0.026 4.714 4.740 0.000 0.000 0.265 223 N C -0.804 174.780 175.510 0.124 0.000 1.199 223 N CA 0.333 53.489 53.050 0.177 0.000 0.928 223 N CB 0.489 39.005 38.487 0.050 0.000 1.059 223 N HN 0.090 nan 8.380 nan 0.000 0.467 224 S N 1.840 117.604 115.700 0.106 0.000 2.627 224 S HA 0.644 5.114 4.470 0.000 0.000 0.283 224 S C -1.148 173.384 174.600 -0.113 0.000 1.127 224 S CA -1.011 57.166 58.200 -0.039 0.000 0.863 224 S CB 1.832 64.928 63.200 -0.172 0.000 1.121 224 S HN 0.654 nan 8.310 nan 0.000 0.479 225 Q N 0.121 119.839 119.800 -0.137 0.000 2.451 225 Q HA 0.863 5.203 4.340 0.000 0.000 0.281 225 Q C -1.348 174.543 176.000 -0.181 0.000 1.099 225 Q CA -1.555 54.155 55.803 -0.154 0.000 0.806 225 Q CB 2.144 30.854 28.738 -0.047 0.000 1.419 225 Q HN 1.103 nan 8.270 nan 0.000 0.427 226 A N 0.523 123.209 122.820 -0.223 0.000 2.539 226 A HA 0.802 5.122 4.320 0.000 0.000 0.296 226 A C -0.780 176.792 177.584 -0.020 0.000 1.073 226 A CA -0.568 51.416 52.037 -0.087 0.000 0.700 226 A CB 1.462 20.411 19.000 -0.084 0.000 1.296 226 A HN 1.097 nan 8.150 nan 0.000 0.405 227 C N 0.096 119.421 119.300 0.043 0.000 2.634 227 C HA 0.998 5.459 4.460 0.000 0.000 0.313 227 C C 0.134 175.124 174.990 0.001 0.000 1.198 227 C CA -0.226 58.786 59.018 -0.010 0.000 1.605 227 C CB 0.638 28.338 27.740 -0.066 0.000 2.196 227 C HN 1.858 nan 8.230 nan 0.000 0.486 228 A N 2.563 125.277 122.820 -0.176 0.000 2.386 228 A HA 0.884 5.204 4.320 0.000 0.000 0.311 228 A C -0.909 176.317 177.584 -0.597 0.000 1.068 228 A CA -0.242 51.526 52.037 -0.449 0.000 0.743 228 A CB 1.665 20.140 19.000 -0.875 0.000 1.258 228 A HN 1.052 nan 8.150 nan 0.000 0.429 229 Q N 1.326 120.623 119.800 -0.837 0.000 2.435 229 Q HA 0.550 4.890 4.340 0.000 0.000 0.282 229 Q C -1.866 173.656 176.000 -0.796 0.000 1.020 229 Q CA -0.381 55.058 55.803 -0.607 0.000 0.820 229 Q CB 1.544 30.149 28.738 -0.222 0.000 1.436 229 Q HN 0.710 nan 8.270 nan 0.000 0.395 230 F N 0.868 120.865 119.950 0.078 0.000 2.781 230 F HA 0.314 4.841 4.527 0.000 0.000 0.322 230 F C 0.533 176.416 175.800 0.138 0.000 1.108 230 F CA -0.091 57.985 58.000 0.127 0.000 1.179 230 F CB 0.761 39.899 39.000 0.229 0.000 1.072 230 F HN 0.187 nan 8.300 nan 0.000 0.545 231 L N 0.292 121.638 121.223 0.206 0.000 2.470 231 L HA 0.371 4.711 4.340 0.000 0.000 0.243 231 L C 1.616 178.551 176.870 0.108 0.000 1.227 231 L CA 0.258 55.191 54.840 0.154 0.000 0.824 231 L CB 0.204 42.324 42.059 0.102 0.000 1.175 231 L HN 0.181 nan 8.230 nan 0.000 0.503 232 E N 0.619 120.879 120.200 0.100 0.000 2.296 232 E HA 0.121 4.471 4.350 0.000 0.000 0.196 232 E C 0.165 176.816 176.600 0.084 0.000 1.143 232 E CA -0.098 56.356 56.400 0.090 0.000 1.145 232 E CB -0.465 29.307 29.700 0.120 0.000 1.215 232 E HN 0.618 nan 8.360 nan 0.000 0.447 233 Q N -1.145 118.682 119.800 0.044 0.000 2.204 233 Q HA 0.675 5.015 4.340 0.000 0.000 0.254 233 Q C -0.927 175.076 176.000 0.006 0.000 0.981 233 Q CA -0.833 55.030 55.803 0.099 0.000 0.897 233 Q CB 1.584 30.367 28.738 0.075 0.000 1.273 233 Q HN 0.602 nan 8.270 nan 0.000 0.464 234 Y N 0.310 120.622 120.300 0.020 0.000 2.429 234 Y HA 0.377 4.927 4.550 0.000 0.000 0.342 234 Y C -0.498 175.400 175.900 -0.003 0.000 1.004 234 Y CA -1.213 56.913 58.100 0.044 0.000 1.075 234 Y CB 1.184 39.694 38.460 0.083 0.000 1.214 234 Y HN 0.548 nan 8.280 nan 0.000 0.455 235 F N 1.839 121.868 119.950 0.133 0.000 2.385 235 F HA 0.532 5.059 4.527 0.000 0.000 0.336 235 F C -0.804 175.148 175.800 0.253 0.000 1.100 235 F CA -0.598 57.453 58.000 0.085 0.000 1.116 235 F CB 0.582 39.610 39.000 0.046 0.000 1.166 235 F HN 0.486 nan 8.300 nan 0.000 0.511 236 H N 3.940 122.760 119.070 -0.417 0.000 2.469 236 H HA 0.148 4.705 4.556 0.000 0.000 0.342 236 H C 0.294 175.366 175.328 -0.426 0.000 1.115 236 H CA -0.411 55.327 56.048 -0.517 0.000 1.204 236 H CB 1.682 31.336 29.762 -0.181 0.000 1.492 236 H HN 0.790 nan 8.280 nan 0.000 0.499 237 D N 1.586 121.799 120.400 -0.313 0.000 2.144 237 D HA -0.180 4.460 4.640 0.000 0.000 0.199 237 D C 1.673 178.012 176.300 0.065 0.000 0.984 237 D CA 1.435 55.427 54.000 -0.014 0.000 0.834 237 D CB -0.099 40.682 40.800 -0.032 0.000 0.955 237 D HN 0.495 nan 8.370 nan 0.000 0.465 238 S N 0.821 116.535 115.700 0.023 0.000 2.387 238 S HA -0.138 4.332 4.470 0.000 0.000 0.226 238 S C 1.544 176.204 174.600 0.100 0.000 1.026 238 S CA 0.930 59.157 58.200 0.045 0.000 0.972 238 S CB -0.088 63.116 63.200 0.008 0.000 0.814 238 S HN -0.005 nan 8.310 nan 0.000 0.477 239 D N 1.375 121.861 120.400 0.143 0.000 2.178 239 D HA 0.043 4.683 4.640 0.000 0.000 0.202 239 D C 1.802 178.228 176.300 0.209 0.000 0.974 239 D CA 0.507 54.609 54.000 0.171 0.000 0.841 239 D CB -0.395 40.505 40.800 0.165 0.000 0.953 239 D HN 0.344 nan 8.370 nan 0.000 0.478 240 L N 0.803 122.153 121.223 0.211 0.000 2.072 240 L HA 0.053 4.393 4.340 0.000 0.000 0.205 240 L C 2.043 179.041 176.870 0.215 0.000 1.079 240 L CA 1.507 56.480 54.840 0.221 0.000 0.752 240 L CB -0.819 41.389 42.059 0.249 0.000 0.906 240 L HN -0.042 nan 8.230 nan 0.000 0.436 241 A N -0.977 121.938 122.820 0.158 0.000 1.902 241 A HA -0.269 4.051 4.320 0.000 0.000 0.217 241 A C 2.323 179.953 177.584 0.078 0.000 1.181 241 A CA 1.761 53.863 52.037 0.109 0.000 0.623 241 A CB -0.682 18.364 19.000 0.078 0.000 0.818 241 A HN 0.653 nan 8.150 nan 0.000 0.443 242 Q N -1.584 118.271 119.800 0.091 0.000 2.050 242 Q HA -0.195 4.145 4.340 0.000 0.000 0.202 242 Q C 1.881 177.904 176.000 0.039 0.000 0.980 242 Q CA 1.859 57.688 55.803 0.044 0.000 0.840 242 Q CB -0.306 28.471 28.738 0.064 0.000 0.898 242 Q HN 0.641 nan 8.270 nan 0.000 0.424 243 F N 0.413 120.375 119.950 0.019 0.000 2.091 243 F HA -0.282 4.245 4.527 0.000 0.000 0.299 243 F C 2.016 177.823 175.800 0.012 0.000 1.103 243 F CA 1.495 59.552 58.000 0.094 0.000 1.228 243 F CB -0.054 39.037 39.000 0.153 0.000 0.984 243 F HN 0.164 nan 8.300 nan 0.000 0.477 244 M N -0.024 119.632 119.600 0.093 0.000 2.229 244 M HA -0.115 4.365 4.480 0.000 0.000 0.264 244 M C 2.201 178.311 176.300 -0.316 0.000 1.063 244 M CA 1.425 56.605 55.300 -0.199 0.000 1.114 244 M CB -1.130 31.294 32.600 -0.292 0.000 1.387 244 M HN 0.177 nan 8.290 nan 0.000 0.420 245 R N -0.139 120.238 120.500 -0.204 0.000 2.096 245 R HA -0.059 4.281 4.340 0.000 0.000 0.235 245 R C 2.159 178.262 176.300 -0.327 0.000 1.127 245 R CA 1.047 57.025 56.100 -0.203 0.000 0.968 245 R CB -0.294 29.923 30.300 -0.138 0.000 0.861 245 R HN 0.343 nan 8.270 nan 0.000 0.440 246 L N -1.264 119.653 121.223 -0.511 0.000 2.209 246 L HA -0.014 4.326 4.340 0.000 0.000 0.207 246 L C 1.154 177.486 176.870 -0.896 0.000 1.094 246 L CA 0.938 55.276 54.840 -0.835 0.000 0.790 246 L CB 0.095 41.363 42.059 -1.319 0.000 0.932 246 L HN 0.095 nan 8.230 nan 0.000 0.447 247 F N -1.910 117.755 119.950 -0.475 0.000 2.767 247 F HA 0.305 4.832 4.527 0.000 0.000 0.323 247 F C 1.817 177.387 175.800 -0.384 0.000 1.091 247 F CA -0.086 57.634 58.000 -0.467 0.000 1.192 247 F CB 0.063 38.605 39.000 -0.762 0.000 1.056 247 F HN -0.146 nan 8.300 nan 0.000 0.571 248 G N -0.437 108.132 108.800 -0.386 0.000 3.393 248 G HA2 0.249 4.209 3.960 0.000 0.000 0.255 248 G HA3 0.249 4.209 3.960 0.000 0.000 0.255 248 G C 1.690 176.207 174.900 -0.639 0.000 1.097 248 G CA 0.444 45.037 45.100 -0.845 0.000 0.780 248 G HN 0.381 nan 8.290 nan 0.000 0.540 249 G N 0.694 109.303 108.800 -0.318 0.000 2.448 249 G HA2 -0.207 3.753 3.960 0.000 0.000 0.219 249 G HA3 -0.207 3.753 3.960 0.000 0.000 0.219 249 G C 1.230 176.050 174.900 -0.133 0.000 1.127 249 G CA 0.510 45.509 45.100 -0.168 0.000 0.766 249 G HN 0.487 nan 8.290 nan 0.000 0.552 250 N N -0.649 117.979 118.700 -0.121 0.000 2.279 250 N HA 0.205 4.945 4.740 0.000 0.000 0.226 250 N C -0.931 174.686 175.510 0.178 0.000 1.126 250 N CA -0.297 52.774 53.050 0.036 0.000 0.846 250 N CB 0.205 38.750 38.487 0.097 0.000 1.050 250 N HN 0.297 nan 8.380 nan 0.000 0.502 251 F N -1.808 118.195 119.950 0.088 0.000 2.672 251 F HA 0.567 5.094 4.527 0.000 0.000 0.311 251 F C -0.894 174.989 175.800 0.137 0.000 1.113 251 F CA -1.499 56.554 58.000 0.088 0.000 0.996 251 F CB 0.216 39.259 39.000 0.071 0.000 1.286 251 F HN -0.179 nan 8.300 nan 0.000 0.441 252 A N 3.404 126.354 122.820 0.216 0.000 2.520 252 A HA 0.478 4.798 4.320 0.000 0.000 0.245 252 A C -0.403 177.314 177.584 0.221 0.000 1.072 252 A CA 0.330 52.399 52.037 0.054 0.000 0.761 252 A CB -0.410 18.613 19.000 0.038 0.000 1.004 252 A HN 1.159 nan 8.150 nan 0.000 0.499 253 H N 1.416 120.549 119.070 0.105 0.000 2.996 253 H HA 0.377 4.933 4.556 0.000 0.000 0.368 253 H C -1.147 174.236 175.328 0.091 0.000 1.185 253 H CA -1.035 55.107 56.048 0.157 0.000 1.160 253 H CB 0.569 30.426 29.762 0.158 0.000 1.820 253 H HN 0.599 nan 8.280 nan 0.000 0.547 254 Q N 1.123 121.054 119.800 0.218 0.000 2.330 254 Q HA 0.121 4.462 4.340 0.000 0.000 0.279 254 Q C 1.100 177.227 176.000 0.211 0.000 1.024 254 Q CA 0.580 56.474 55.803 0.151 0.000 0.900 254 Q CB 1.490 30.306 28.738 0.131 0.000 1.221 254 Q HN 0.827 nan 8.270 nan 0.000 0.396 255 A N 2.899 125.804 122.820 0.142 0.000 1.902 255 A HA -0.098 4.222 4.320 0.000 0.000 0.217 255 A C 0.749 178.423 177.584 0.150 0.000 1.181 255 A CA 1.783 53.910 52.037 0.150 0.000 0.623 255 A CB 0.110 19.160 19.000 0.084 0.000 0.818 255 A HN 0.783 nan 8.150 nan 0.000 0.443 256 S N -3.503 112.273 115.700 0.128 0.000 2.672 256 S HA 0.516 4.986 4.470 0.000 0.000 0.271 256 S C -0.759 173.904 174.600 0.106 0.000 1.171 256 S CA -0.551 57.729 58.200 0.133 0.000 0.817 256 S CB 0.975 64.250 63.200 0.125 0.000 1.150 256 S HN 0.356 nan 8.310 nan 0.000 0.478 257 V N 1.950 121.933 119.914 0.114 0.000 2.637 257 V HA 0.436 4.556 4.120 0.000 0.000 0.296 257 V C 1.664 177.773 176.094 0.025 0.000 1.046 257 V CA 0.472 62.792 62.300 0.035 0.000 1.066 257 V CB 0.638 32.437 31.823 -0.040 0.000 0.968 257 V HN 1.180 nan 8.190 nan 0.000 0.483 258 A N 5.221 128.042 122.820 0.001 0.000 1.897 258 A HA 0.057 4.377 4.320 0.000 0.000 0.215 258 A C 1.266 178.733 177.584 -0.195 0.000 1.181 258 A CA 1.056 53.067 52.037 -0.045 0.000 0.620 258 A CB 0.032 19.054 19.000 0.038 0.000 0.821 258 A HN 0.759 nan 8.150 nan 0.000 0.443 259 R N -1.418 118.891 120.500 -0.318 0.000 2.566 259 R HA 0.516 4.856 4.340 0.000 0.000 0.271 259 R C -2.336 173.751 176.300 -0.355 0.000 1.071 259 R CA -0.423 55.391 56.100 -0.476 0.000 0.915 259 R CB 1.938 31.615 30.300 -1.038 0.000 1.228 259 R HN 0.017 nan 8.270 nan 0.000 0.449 260 V N 4.594 124.367 119.914 -0.235 0.000 2.409 260 V HA 0.428 4.548 4.120 0.000 0.000 0.291 260 V C -0.520 175.463 176.094 -0.186 0.000 1.020 260 V CA -0.734 61.484 62.300 -0.137 0.000 0.848 260 V CB 1.754 33.623 31.823 0.077 0.000 0.990 260 V HN 0.499 nan 8.190 nan 0.000 0.430 261 V N 3.469 123.238 119.914 -0.242 0.000 2.334 261 V HA 0.803 4.923 4.120 0.000 0.000 0.281 261 V C 0.884 176.961 176.094 -0.030 0.000 1.016 261 V CA 0.304 62.491 62.300 -0.188 0.000 0.832 261 V CB 0.773 32.374 31.823 -0.370 0.000 0.999 261 V HN 1.207 nan 8.190 nan 0.000 0.439 262 G N 3.611 112.415 108.800 0.007 0.000 2.173 262 G HA2 -0.157 3.803 3.960 0.000 0.000 0.174 262 G HA3 -0.157 3.803 3.960 0.000 0.000 0.174 262 G C -0.351 174.560 174.900 0.018 0.000 1.025 262 G CA -0.189 44.938 45.100 0.044 0.000 0.706 262 G HN 0.666 nan 8.290 nan 0.000 0.499 263 Q N -0.462 119.347 119.800 0.015 0.000 2.205 263 Q HA 0.779 5.119 4.340 0.000 0.000 0.249 263 Q C 1.121 177.143 176.000 0.035 0.000 0.948 263 Q CA -0.421 55.399 55.803 0.029 0.000 0.895 263 Q CB 0.994 29.774 28.738 0.070 0.000 1.249 263 Q HN 0.354 nan 8.270 nan 0.000 0.458 264 Q N 0.267 120.113 119.800 0.076 0.000 2.013 264 Q HA 0.464 4.804 4.340 0.000 0.000 0.158 264 Q C 0.106 176.141 176.000 0.059 0.000 0.517 264 Q CA 0.412 56.237 55.803 0.036 0.000 0.753 264 Q CB 0.039 28.781 28.738 0.007 0.000 1.005 264 Q HN 0.659 nan 8.270 nan 0.000 0.393 265 G N 0.310 109.201 108.800 0.151 0.000 3.166 265 G HA2 0.523 4.483 3.960 0.000 0.000 0.267 265 G HA3 0.523 4.483 3.960 0.000 0.000 0.267 265 G C -1.150 173.763 174.900 0.022 0.000 1.256 265 G CA -0.706 44.439 45.100 0.075 0.000 0.859 265 G HN 0.055 nan 8.290 nan 0.000 0.590 266 R N -0.392 120.044 120.500 -0.107 0.000 2.490 266 R HA 0.515 4.855 4.340 0.000 0.000 0.280 266 R C 0.086 176.078 176.300 -0.513 0.000 1.077 266 R CA 0.410 56.354 56.100 -0.261 0.000 1.065 266 R CB 0.624 30.823 30.300 -0.167 0.000 1.003 266 R HN 0.641 nan 8.270 nan 0.000 0.470 267 G N 1.893 110.233 108.800 -0.765 0.000 2.658 267 G HA2 0.446 4.406 3.960 0.000 0.000 0.292 267 G HA3 0.446 4.406 3.960 0.000 0.000 0.292 267 G C -1.651 173.076 174.900 -0.289 0.000 1.320 267 G CA -0.811 43.629 45.100 -1.100 0.000 0.933 267 G HN 0.531 nan 8.290 nan 0.000 0.476 268 R N -0.025 120.393 120.500 -0.137 0.000 2.387 268 R HA 0.712 5.052 4.340 0.000 0.000 0.314 268 R C 0.146 176.433 176.300 -0.022 0.000 0.958 268 R CA -0.154 55.940 56.100 -0.009 0.000 0.846 268 R CB 1.125 31.435 30.300 0.016 0.000 1.147 268 R HN 0.767 nan 8.270 nan 0.000 0.447 269 A N 2.586 125.278 122.820 -0.213 0.000 2.386 269 A HA 0.609 4.929 4.320 0.000 0.000 0.248 269 A C 0.129 177.679 177.584 -0.057 0.000 1.082 269 A CA 0.200 52.084 52.037 -0.256 0.000 0.789 269 A CB 0.451 19.166 19.000 -0.474 0.000 1.025 269 A HN 0.891 nan 8.150 nan 0.000 0.490 270 G N -0.660 108.134 108.800 -0.010 0.000 2.569 270 G HA2 0.482 4.442 3.960 0.000 0.000 0.300 270 G HA3 0.482 4.442 3.960 0.000 0.000 0.300 270 G C 0.639 175.557 174.900 0.029 0.000 1.269 270 G CA -0.068 45.045 45.100 0.022 0.000 0.959 270 G HN 1.243 nan 8.290 nan 0.000 0.478 271 I N -1.394 119.198 120.570 0.037 0.000 2.546 271 I HA 0.092 4.262 4.170 0.000 0.000 0.255 271 I C 1.927 178.065 176.117 0.036 0.000 1.163 271 I CA 1.778 63.107 61.300 0.049 0.000 1.457 271 I CB 0.090 38.122 38.000 0.053 0.000 1.092 271 I HN 0.591 nan 8.210 nan 0.000 0.434 272 E N 2.302 122.516 120.200 0.024 0.000 2.072 272 E HA -0.130 4.220 4.350 0.000 0.000 0.190 272 E C 2.153 178.758 176.600 0.008 0.000 0.982 272 E CA 1.624 58.028 56.400 0.008 0.000 0.803 272 E CB -0.271 29.436 29.700 0.011 0.000 0.755 272 E HN 0.551 nan 8.360 nan 0.000 0.453 273 A N 0.014 122.850 122.820 0.026 0.000 2.014 273 A HA -0.051 4.269 4.320 0.000 0.000 0.218 273 A C 2.321 179.944 177.584 0.066 0.000 1.163 273 A CA 1.494 53.556 52.037 0.042 0.000 0.652 273 A CB -0.387 18.659 19.000 0.077 0.000 0.808 273 A HN 0.296 nan 8.150 nan 0.000 0.449 274 S N -0.593 115.145 115.700 0.063 0.000 2.371 274 S HA -0.038 4.432 4.470 0.000 0.000 0.221 274 S C 1.841 176.451 174.600 0.017 0.000 1.036 274 S CA 1.024 59.262 58.200 0.064 0.000 0.965 274 S CB -0.390 62.857 63.200 0.077 0.000 0.845 274 S HN 0.508 nan 8.310 nan 0.000 0.475 275 L N 2.435 123.684 121.223 0.044 0.000 2.012 275 L HA -0.171 4.169 4.340 0.000 0.000 0.210 275 L C 1.574 178.478 176.870 0.057 0.000 1.073 275 L CA 1.954 56.841 54.840 0.079 0.000 0.748 275 L CB -0.785 41.272 42.059 -0.003 0.000 0.891 275 L HN 0.086 nan 8.230 nan 0.000 0.431 276 D N -0.750 119.645 120.400 -0.008 0.000 2.137 276 D HA -0.225 4.415 4.640 0.000 0.000 0.189 276 D C 2.174 178.452 176.300 -0.036 0.000 0.998 276 D CA 2.235 56.215 54.000 -0.032 0.000 0.839 276 D CB -0.350 40.410 40.800 -0.065 0.000 0.962 276 D HN 0.269 nan 8.370 nan 0.000 0.446 277 V N -0.096 119.768 119.914 -0.084 0.000 2.379 277 V HA -0.202 3.918 4.120 0.000 0.000 0.245 277 V C 2.305 178.307 176.094 -0.152 0.000 1.044 277 V CA 1.504 63.719 62.300 -0.142 0.000 1.036 277 V CB -0.606 31.073 31.823 -0.240 0.000 0.664 277 V HN 0.173 nan 8.190 nan 0.000 0.453 278 Q N -1.170 118.479 119.800 -0.251 0.000 2.170 278 Q HA -0.185 4.155 4.340 0.000 0.000 0.203 278 Q C 2.027 177.682 176.000 -0.574 0.000 0.976 278 Q CA 2.055 57.466 55.803 -0.654 0.000 0.858 278 Q CB -0.150 27.774 28.738 -1.355 0.000 0.907 278 Q HN 0.753 nan 8.270 nan 0.000 0.433 279 Y N -1.242 118.961 120.300 -0.162 0.000 2.509 279 Y HA -0.021 4.529 4.550 0.000 0.000 0.270 279 Y C 1.673 177.586 175.900 0.022 0.000 1.103 279 Y CA -0.007 58.102 58.100 0.015 0.000 1.278 279 Y CB 0.248 38.769 38.460 0.102 0.000 1.087 279 Y HN 0.104 nan 8.280 nan 0.000 0.542 280 L N 0.065 121.342 121.223 0.090 0.000 2.046 280 L HA -0.168 4.173 4.340 0.000 0.000 0.208 280 L C 1.678 178.565 176.870 0.029 0.000 1.077 280 L CA 1.964 56.832 54.840 0.048 0.000 0.747 280 L CB -0.491 41.572 42.059 0.007 0.000 0.896 280 L HN 0.192 nan 8.230 nan 0.000 0.432 281 M N -1.804 117.806 119.600 0.016 0.000 2.563 281 M HA 0.030 4.510 4.480 0.000 0.000 0.231 281 M C 1.365 177.728 176.300 0.106 0.000 1.136 281 M CA 0.264 55.600 55.300 0.059 0.000 1.026 281 M CB 0.018 32.657 32.600 0.065 0.000 1.597 281 M HN 0.167 nan 8.290 nan 0.000 0.495 282 S N -0.267 115.453 115.700 0.034 0.000 2.539 282 S HA 0.247 4.717 4.470 0.000 0.000 0.226 282 S C 1.815 176.268 174.600 -0.244 0.000 1.054 282 S CA 0.375 58.529 58.200 -0.077 0.000 0.910 282 S CB 0.443 63.649 63.200 0.010 0.000 0.818 282 S HN 0.507 nan 8.310 nan 0.000 0.490 283 A N 1.176 123.949 122.820 -0.077 0.000 2.044 283 A HA 0.511 4.831 4.320 0.000 0.000 0.213 283 A C 1.313 178.828 177.584 -0.116 0.000 1.169 283 A CA 0.672 52.659 52.037 -0.083 0.000 0.724 283 A CB -0.161 18.858 19.000 0.032 0.000 0.840 283 A HN 0.395 nan 8.150 nan 0.000 0.463 284 G N -0.662 108.101 108.800 -0.062 0.000 3.986 284 G HA2 0.499 4.459 3.960 0.000 0.000 0.343 284 G HA3 0.499 4.459 3.960 0.000 0.000 0.343 284 G C 0.750 175.646 174.900 -0.007 0.000 1.413 284 G CA 0.542 45.619 45.100 -0.038 0.000 1.143 284 G HN 0.428 nan 8.290 nan 0.000 0.488 285 A N 2.674 125.472 122.820 -0.038 0.000 1.829 285 A HA -0.135 4.185 4.320 0.000 0.000 0.216 285 A C 1.749 179.434 177.584 0.169 0.000 1.207 285 A CA 1.534 53.616 52.037 0.075 0.000 0.622 285 A CB -0.301 18.741 19.000 0.070 0.000 0.846 285 A HN 0.520 nan 8.150 nan 0.000 0.447 286 N N -0.028 118.751 118.700 0.131 0.000 2.758 286 N HA 0.301 5.041 4.740 0.000 0.000 0.293 286 N C -0.942 174.619 175.510 0.084 0.000 1.273 286 N CA -0.055 53.066 53.050 0.118 0.000 1.022 286 N CB -0.443 38.098 38.487 0.090 0.000 1.334 286 N HN 0.409 nan 8.380 nan 0.000 0.519 287 I N -0.208 120.413 120.570 0.085 0.000 2.378 287 I HA 0.207 4.377 4.170 0.000 0.000 0.291 287 I C 0.435 176.601 176.117 0.082 0.000 0.992 287 I CA -1.042 60.300 61.300 0.071 0.000 1.154 287 I CB 1.687 39.720 38.000 0.055 0.000 1.315 287 I HN 0.008 nan 8.210 nan 0.000 0.448 288 S N 3.985 119.740 115.700 0.092 0.000 2.593 288 S HA 0.083 4.553 4.470 0.000 0.000 0.300 288 S C -0.068 174.619 174.600 0.144 0.000 1.267 288 S CA 0.330 58.607 58.200 0.128 0.000 1.065 288 S CB -0.088 63.206 63.200 0.157 0.000 0.807 288 S HN 0.643 nan 8.310 nan 0.000 0.499 289 T N 6.006 120.666 114.554 0.177 0.000 2.879 289 T HA 0.426 4.776 4.350 0.000 0.000 0.290 289 T C -1.199 173.659 174.700 0.264 0.000 0.993 289 T CA -0.428 61.767 62.100 0.157 0.000 0.975 289 T CB 0.382 69.280 68.868 0.050 0.000 0.981 289 T HN 0.618 nan 8.240 nan 0.000 0.439 290 W N 2.091 123.321 121.300 -0.117 0.000 2.512 290 W HA 0.684 5.344 4.660 0.000 0.000 0.335 290 W C -0.579 175.818 176.519 -0.204 0.000 1.088 290 W CA -1.037 56.207 57.345 -0.169 0.000 1.236 290 W CB 0.800 30.163 29.460 -0.162 0.000 1.307 290 W HN 0.271 nan 8.180 nan 0.000 0.567 291 V N 3.464 123.322 119.914 -0.094 0.000 2.487 291 V HA 0.305 4.425 4.120 0.000 0.000 0.298 291 V C -1.198 174.782 176.094 -0.189 0.000 1.028 291 V CA -1.226 60.974 62.300 -0.165 0.000 0.860 291 V CB 0.983 32.565 31.823 -0.402 0.000 0.991 291 V HN 0.285 nan 8.190 nan 0.000 0.427 292 Y N 2.295 122.589 120.300 -0.010 0.000 2.335 292 Y HA 0.424 4.975 4.550 0.000 0.000 0.339 292 Y C 0.821 176.631 175.900 -0.149 0.000 0.987 292 Y CA -0.036 58.064 58.100 0.001 0.000 1.140 292 Y CB 1.952 40.476 38.460 0.106 0.000 1.173 292 Y HN 0.532 nan 8.280 nan 0.000 0.486 293 S N 2.860 118.577 115.700 0.028 0.000 2.252 293 S HA 0.195 4.665 4.470 0.000 0.000 0.180 293 S C 0.019 174.592 174.600 -0.045 0.000 1.534 293 S CA -0.339 57.831 58.200 -0.049 0.000 1.141 293 S CB -0.277 62.913 63.200 -0.017 0.000 1.122 293 S HN 0.755 nan 8.310 nan 0.000 0.475 294 S N 3.872 119.504 115.700 -0.113 0.000 3.405 294 S HA -0.082 4.388 4.470 0.000 0.000 0.373 294 S C -2.593 172.107 174.600 0.167 0.000 0.939 294 S CA -0.308 57.923 58.200 0.051 0.000 1.295 294 S CB -0.777 62.472 63.200 0.081 0.000 0.919 294 S HN 0.569 nan 8.310 nan 0.000 0.535 295 P HA 0.327 nan 4.420 nan 0.000 0.264 295 P C 1.195 178.613 177.300 0.198 0.000 1.193 295 P CA 1.388 64.618 63.100 0.216 0.000 0.763 295 P CB 0.165 32.032 31.700 0.278 0.000 0.810 296 G N 2.991 111.886 108.800 0.158 0.000 2.225 296 G HA2 -0.355 3.605 3.960 0.000 0.000 0.254 296 G HA3 -0.355 3.605 3.960 0.000 0.000 0.254 296 G C 1.408 176.410 174.900 0.170 0.000 0.988 296 G CA 0.392 45.577 45.100 0.142 0.000 0.625 296 G HN 0.604 nan 8.290 nan 0.000 0.527 297 R N 0.184 120.801 120.500 0.195 0.000 2.083 297 R HA -0.145 4.195 4.340 0.000 0.000 0.237 297 R C 2.044 178.480 176.300 0.226 0.000 1.137 297 R CA 1.734 57.959 56.100 0.208 0.000 0.951 297 R CB -0.626 29.805 30.300 0.218 0.000 0.851 297 R HN 0.611 nan 8.270 nan 0.000 0.434 298 H N 0.337 119.500 119.070 0.156 0.000 2.557 298 H HA -0.062 4.494 4.556 0.000 0.000 0.287 298 H C -0.395 175.056 175.328 0.204 0.000 1.043 298 H CA 0.960 57.111 56.048 0.172 0.000 1.226 298 H CB 0.210 30.060 29.762 0.148 0.000 1.361 298 H HN 0.279 nan 8.280 nan 0.000 0.592 299 E N -1.602 118.750 120.200 0.252 0.000 2.281 299 E HA 0.376 4.726 4.350 0.000 0.000 0.257 299 E C 0.201 176.893 176.600 0.154 0.000 0.971 299 E CA -0.488 56.060 56.400 0.247 0.000 0.839 299 E CB 0.770 30.646 29.700 0.293 0.000 1.238 299 E HN 0.231 nan 8.360 nan 0.000 0.412 300 G N 1.035 109.910 108.800 0.125 0.000 2.924 300 G HA2 0.107 4.067 3.960 0.000 0.000 0.273 300 G HA3 0.107 4.067 3.960 0.000 0.000 0.273 300 G C -0.456 174.396 174.900 -0.080 0.000 0.734 300 G CA 0.301 45.403 45.100 0.002 0.000 2.065 300 G HN 0.143 nan 8.290 nan 0.000 0.580 301 Q N 0.016 119.797 119.800 -0.031 0.000 2.456 301 Q HA 0.234 4.574 4.340 0.000 0.000 0.284 301 Q C -0.866 175.132 176.000 -0.003 0.000 1.061 301 Q CA -0.805 54.972 55.803 -0.043 0.000 0.799 301 Q CB 2.432 31.163 28.738 -0.013 0.000 1.445 301 Q HN 0.483 nan 8.270 nan 0.000 0.411 302 E N 1.955 122.152 120.200 -0.005 0.000 2.044 302 E HA 0.114 4.464 4.350 0.000 0.000 0.282 302 E C -1.938 174.710 176.600 0.080 0.000 1.031 302 E CA -1.683 54.740 56.400 0.037 0.000 0.824 302 E CB 0.930 30.653 29.700 0.038 0.000 1.076 302 E HN 0.271 nan 8.360 nan 0.000 0.395 303 P HA -0.203 nan 4.420 nan 0.000 0.216 303 P C 0.909 178.271 177.300 0.104 0.000 1.153 303 P CA 1.009 64.239 63.100 0.215 0.000 0.858 303 P CB 0.105 32.031 31.700 0.376 0.000 0.789 304 F N -0.321 119.374 119.950 -0.425 0.000 2.206 304 F HA -0.086 4.441 4.527 0.000 0.000 0.298 304 F C 1.945 177.664 175.800 -0.135 0.000 1.090 304 F CA 0.829 58.387 58.000 -0.736 0.000 1.323 304 F CB -0.756 37.405 39.000 -1.398 0.000 1.028 304 F HN -0.243 nan 8.300 nan 0.000 0.492 305 L N 0.504 121.751 121.223 0.041 0.000 2.093 305 L HA -0.173 4.167 4.340 0.000 0.000 0.208 305 L C 2.315 179.093 176.870 -0.152 0.000 1.085 305 L CA 1.808 56.658 54.840 0.017 0.000 0.755 305 L CB -1.074 41.082 42.059 0.161 0.000 0.904 305 L HN 0.198 nan 8.230 nan 0.000 0.435 306 Q N -1.654 118.113 119.800 -0.055 0.000 2.119 306 Q HA -0.244 4.096 4.340 0.000 0.000 0.201 306 Q C 1.922 177.894 176.000 -0.047 0.000 0.972 306 Q CA 2.103 57.872 55.803 -0.057 0.000 0.847 306 Q CB -0.563 28.201 28.738 0.043 0.000 0.903 306 Q HN 0.641 nan 8.270 nan 0.000 0.433 307 W N -0.509 120.690 121.300 -0.168 0.000 2.381 307 W HA -0.169 4.491 4.660 0.000 0.000 0.301 307 W C 1.291 177.595 176.519 -0.358 0.000 1.205 307 W CA 0.860 58.088 57.345 -0.194 0.000 1.285 307 W CB -0.370 29.056 29.460 -0.057 0.000 1.133 307 W HN 0.221 nan 8.180 nan 0.000 0.521 308 L N 0.780 121.688 121.223 -0.524 0.000 1.989 308 L HA -0.276 4.064 4.340 0.000 0.000 0.211 308 L C 2.632 179.141 176.870 -0.602 0.000 1.071 308 L CA 2.245 56.666 54.840 -0.699 0.000 0.749 308 L CB -1.379 40.400 42.059 -0.466 0.000 0.890 308 L HN 0.092 nan 8.230 nan 0.000 0.431 309 M N -1.957 117.289 119.600 -0.591 0.000 2.144 309 M HA -0.276 4.205 4.480 0.000 0.000 0.260 309 M C 2.055 178.155 176.300 -0.333 0.000 1.067 309 M CA 1.480 56.434 55.300 -0.576 0.000 1.095 309 M CB -0.332 31.936 32.600 -0.553 0.000 1.365 309 M HN 0.207 nan 8.290 nan 0.000 0.406 310 L N -0.384 120.644 121.223 -0.325 0.000 2.056 310 L HA -0.163 4.177 4.340 0.000 0.000 0.207 310 L C 2.150 178.866 176.870 -0.256 0.000 1.078 310 L CA 1.411 56.126 54.840 -0.210 0.000 0.749 310 L CB -1.089 40.913 42.059 -0.094 0.000 0.901 310 L HN 0.204 nan 8.230 nan 0.000 0.433 311 L N -0.939 119.982 121.223 -0.503 0.000 2.089 311 L HA -0.232 4.108 4.340 0.000 0.000 0.213 311 L C 2.163 178.875 176.870 -0.263 0.000 1.079 311 L CA 1.568 56.116 54.840 -0.487 0.000 0.758 311 L CB -0.967 40.645 42.059 -0.745 0.000 0.891 311 L HN 0.164 nan 8.230 nan 0.000 0.433 312 S N -1.312 114.263 115.700 -0.209 0.000 2.660 312 S HA 0.077 4.547 4.470 0.000 0.000 0.227 312 S C 1.154 175.727 174.600 -0.046 0.000 0.948 312 S CA 0.096 58.238 58.200 -0.096 0.000 0.948 312 S CB -0.328 62.858 63.200 -0.024 0.000 0.779 312 S HN 0.399 nan 8.310 nan 0.000 0.487 313 N N 1.689 120.357 118.700 -0.054 0.000 2.159 313 N HA 0.148 4.888 4.740 0.000 0.000 0.217 313 N C -0.439 175.076 175.510 0.008 0.000 1.223 313 N CA 0.047 53.089 53.050 -0.013 0.000 0.896 313 N CB 0.722 39.201 38.487 -0.012 0.000 1.064 313 N HN 0.377 nan 8.380 nan 0.000 0.518 314 E N -0.981 119.224 120.200 0.010 0.000 2.275 314 E HA 0.277 4.628 4.350 0.000 0.000 0.270 314 E C -0.252 176.360 176.600 0.020 0.000 0.882 314 E CA -0.259 56.168 56.400 0.045 0.000 0.758 314 E CB 1.345 31.115 29.700 0.117 0.000 1.195 314 E HN -0.051 nan 8.360 nan 0.000 0.419 315 S N 2.785 118.498 115.700 0.022 0.000 2.446 315 S HA 0.173 4.643 4.470 0.000 0.000 0.225 315 S C 0.538 175.131 174.600 -0.012 0.000 1.016 315 S CA 0.706 58.906 58.200 -0.000 0.000 0.943 315 S CB 0.085 63.289 63.200 0.008 0.000 0.786 315 S HN 0.521 nan 8.310 nan 0.000 0.508 316 A N 2.010 124.839 122.820 0.016 0.000 2.444 316 A HA 0.673 4.993 4.320 0.000 0.000 0.332 316 A C -0.625 176.921 177.584 -0.064 0.000 1.430 316 A CA -0.546 51.484 52.037 -0.010 0.000 0.975 316 A CB 0.006 19.035 19.000 0.048 0.000 1.147 316 A HN 0.509 nan 8.150 nan 0.000 0.524 317 L N 2.597 123.698 121.223 -0.203 0.000 2.333 317 L HA 0.492 4.832 4.340 0.000 0.000 0.269 317 L C -2.201 174.330 176.870 -0.565 0.000 1.010 317 L CA -2.450 52.175 54.840 -0.358 0.000 0.818 317 L CB 2.143 44.109 42.059 -0.154 0.000 1.306 317 L HN 0.365 nan 8.230 nan 0.000 0.430 318 P HA 0.001 nan 4.420 nan 0.000 0.267 318 P C -0.297 176.760 177.300 -0.405 0.000 1.201 318 P CA 0.191 62.870 63.100 -0.700 0.000 0.775 318 P CB 0.424 31.607 31.700 -0.862 0.000 0.854 319 H N -0.723 118.241 119.070 -0.178 0.000 2.448 319 H HA 0.117 4.673 4.556 0.000 0.000 0.292 319 H C 0.352 175.673 175.328 -0.012 0.000 1.035 319 H CA 0.556 56.559 56.048 -0.075 0.000 1.349 319 H CB 0.166 29.892 29.762 -0.059 0.000 1.425 319 H HN 0.052 nan 8.280 nan 0.000 0.539 320 V N 1.194 121.136 119.914 0.047 0.000 2.487 320 V HA 0.235 4.355 4.120 0.000 0.000 0.298 320 V C -1.024 175.020 176.094 -0.084 0.000 1.028 320 V CA -0.799 61.535 62.300 0.055 0.000 0.860 320 V CB 1.481 33.338 31.823 0.058 0.000 0.991 320 V HN 0.361 nan 8.190 nan 0.000 0.427 321 H N 1.506 120.598 119.070 0.037 0.000 2.589 321 H HA 0.570 5.126 4.556 0.000 0.000 0.335 321 H C 0.126 175.437 175.328 -0.028 0.000 1.019 321 H CA -0.395 55.677 56.048 0.040 0.000 1.213 321 H CB 1.700 31.529 29.762 0.113 0.000 1.472 321 H HN 0.717 nan 8.280 nan 0.000 0.508 322 T N 1.087 115.651 114.554 0.017 0.000 2.767 322 T HA 0.647 4.997 4.350 0.000 0.000 0.284 322 T C -0.409 174.173 174.700 -0.196 0.000 0.973 322 T CA -0.759 61.294 62.100 -0.078 0.000 0.996 322 T CB 0.557 69.405 68.868 -0.033 0.000 0.927 322 T HN 0.241 nan 8.240 nan 0.000 0.456 323 V N 2.431 122.119 119.914 -0.377 0.000 2.656 323 V HA 0.646 4.766 4.120 0.000 0.000 0.307 323 V C 0.082 176.020 176.094 -0.259 0.000 1.051 323 V CA -0.946 61.063 62.300 -0.485 0.000 0.893 323 V CB 2.115 33.298 31.823 -1.066 0.000 0.999 323 V HN 0.967 nan 8.190 nan 0.000 0.426 324 S N 3.397 119.080 115.700 -0.028 0.000 2.532 324 S HA 0.737 5.207 4.470 0.000 0.000 0.318 324 S C -1.400 173.393 174.600 0.322 0.000 1.083 324 S CA -0.333 57.926 58.200 0.098 0.000 1.131 324 S CB -0.064 63.164 63.200 0.046 0.000 0.973 324 S HN 0.683 nan 8.310 nan 0.000 0.468 325 Y N 1.548 121.929 120.300 0.135 0.000 2.409 325 Y HA 0.514 5.064 4.550 0.000 0.000 0.321 325 Y C -0.470 175.389 175.900 -0.068 0.000 1.209 325 Y CA -0.388 57.738 58.100 0.044 0.000 1.086 325 Y CB 1.130 39.554 38.460 -0.059 0.000 1.320 325 Y HN 0.669 nan 8.280 nan 0.000 0.440 326 G N 4.392 112.769 108.800 -0.705 0.000 2.732 326 G HA2 0.495 4.455 3.960 0.000 0.000 0.296 326 G HA3 0.495 4.455 3.960 0.000 0.000 0.296 326 G C -2.311 172.302 174.900 -0.478 0.000 1.448 326 G CA -0.784 44.043 45.100 -0.456 0.000 0.911 326 G HN 0.436 nan 8.290 nan 0.000 0.528 327 D N 0.526 120.779 120.400 -0.245 0.000 2.419 327 D HA 0.303 4.944 4.640 0.000 0.000 0.234 327 D C -0.839 175.408 176.300 -0.088 0.000 1.014 327 D CA -0.442 53.466 54.000 -0.154 0.000 0.919 327 D CB 2.275 43.031 40.800 -0.074 0.000 1.366 327 D HN 0.244 nan 8.370 nan 0.000 0.490 328 D N 1.407 121.735 120.400 -0.121 0.000 2.531 328 D HA -0.076 4.564 4.640 0.000 0.000 0.239 328 D C 1.216 177.436 176.300 -0.135 0.000 1.144 328 D CA 0.529 54.438 54.000 -0.152 0.000 0.869 328 D CB 0.959 41.614 40.800 -0.241 0.000 1.160 328 D HN 0.492 nan 8.370 nan 0.000 0.484 329 E N 2.200 122.343 120.200 -0.094 0.000 2.118 329 E HA -0.221 4.129 4.350 0.000 0.000 0.195 329 E C 1.077 177.576 176.600 -0.169 0.000 0.992 329 E CA 1.213 57.579 56.400 -0.057 0.000 0.804 329 E CB 0.226 29.948 29.700 0.036 0.000 0.741 329 E HN 0.566 nan 8.360 nan 0.000 0.458 330 D N 0.002 120.213 120.400 -0.315 0.000 2.312 330 D HA -0.124 4.516 4.640 0.000 0.000 0.211 330 D C 1.810 177.967 176.300 -0.238 0.000 0.964 330 D CA 1.130 54.916 54.000 -0.358 0.000 0.877 330 D CB -0.055 40.213 40.800 -0.887 0.000 0.924 330 D HN 0.205 nan 8.370 nan 0.000 0.515 331 S N 0.024 115.588 115.700 -0.227 0.000 2.527 331 S HA 0.071 4.541 4.470 0.000 0.000 0.222 331 S C 1.062 175.581 174.600 -0.135 0.000 0.985 331 S CA -0.444 57.657 58.200 -0.164 0.000 0.921 331 S CB -0.374 62.730 63.200 -0.160 0.000 0.772 331 S HN 0.175 nan 8.310 nan 0.000 0.529 332 L N 3.026 124.171 121.223 -0.130 0.000 2.325 332 L HA 0.442 4.782 4.340 0.000 0.000 0.279 332 L C 0.686 177.499 176.870 -0.094 0.000 1.054 332 L CA -0.766 54.007 54.840 -0.112 0.000 0.804 332 L CB 1.447 43.466 42.059 -0.068 0.000 1.200 332 L HN 0.264 nan 8.230 nan 0.000 0.436 333 S N 0.459 116.114 115.700 -0.075 0.000 2.573 333 S HA -0.028 4.442 4.470 0.000 0.000 0.277 333 S C 1.183 175.762 174.600 -0.035 0.000 1.346 333 S CA -0.030 58.145 58.200 -0.043 0.000 1.034 333 S CB 1.400 64.591 63.200 -0.016 0.000 0.879 333 S HN 0.712 nan 8.310 nan 0.000 0.528 334 S N 2.133 117.811 115.700 -0.037 0.000 2.383 334 S HA -0.074 4.396 4.470 0.000 0.000 0.227 334 S C 2.002 176.605 174.600 0.004 0.000 1.026 334 S CA 1.083 59.252 58.200 -0.051 0.000 0.981 334 S CB -1.071 62.105 63.200 -0.042 0.000 0.818 334 S HN 0.994 nan 8.310 nan 0.000 0.472 335 A N 0.017 122.878 122.820 0.069 0.000 1.898 335 A HA 0.014 4.334 4.320 0.000 0.000 0.216 335 A C 2.015 179.718 177.584 0.198 0.000 1.181 335 A CA 1.474 53.614 52.037 0.173 0.000 0.620 335 A CB -1.122 18.037 19.000 0.265 0.000 0.819 335 A HN 0.749 nan 8.150 nan 0.000 0.442 336 Y N -0.094 120.131 120.300 -0.125 0.000 2.133 336 Y HA -0.106 4.444 4.550 0.000 0.000 0.287 336 Y C 2.045 177.889 175.900 -0.093 0.000 1.134 336 Y CA 1.698 59.593 58.100 -0.341 0.000 1.133 336 Y CB -0.271 37.884 38.460 -0.509 0.000 0.987 336 Y HN 0.259 nan 8.280 nan 0.000 0.502 337 I N -0.086 120.415 120.570 -0.116 0.000 2.226 337 I HA -0.316 3.854 4.170 0.000 0.000 0.245 337 I C 2.051 178.093 176.117 -0.126 0.000 1.100 337 I CA 1.306 62.400 61.300 -0.343 0.000 1.374 337 I CB -0.203 37.519 38.000 -0.464 0.000 1.057 337 I HN 0.368 nan 8.210 nan 0.000 0.413 338 Q N 0.110 119.900 119.800 -0.017 0.000 2.119 338 Q HA -0.242 4.098 4.340 0.000 0.000 0.201 338 Q C 2.225 178.301 176.000 0.127 0.000 0.972 338 Q CA 1.330 57.199 55.803 0.110 0.000 0.847 338 Q CB -0.465 28.320 28.738 0.079 0.000 0.903 338 Q HN 0.363 nan 8.270 nan 0.000 0.433 339 R N 0.577 121.149 120.500 0.119 0.000 2.090 339 R HA -0.043 4.297 4.340 0.000 0.000 0.228 339 R C 2.081 178.459 176.300 0.130 0.000 1.110 339 R CA 0.994 57.191 56.100 0.161 0.000 0.973 339 R CB -0.689 29.825 30.300 0.357 0.000 0.869 339 R HN 0.056 nan 8.270 nan 0.000 0.440 340 V N 1.383 121.328 119.914 0.051 0.000 2.343 340 V HA -0.222 3.898 4.120 0.000 0.000 0.247 340 V C 2.040 178.236 176.094 0.170 0.000 1.051 340 V CA 2.137 64.500 62.300 0.105 0.000 1.036 340 V CB -0.821 31.049 31.823 0.078 0.000 0.654 340 V HN 0.453 nan 8.190 nan 0.000 0.451 341 N N 0.091 118.924 118.700 0.222 0.000 2.137 341 N HA -0.181 4.559 4.740 0.000 0.000 0.190 341 N C 1.761 177.261 175.510 -0.017 0.000 1.017 341 N CA 2.148 55.289 53.050 0.151 0.000 0.859 341 N CB -0.271 38.358 38.487 0.237 0.000 1.002 341 N HN 0.478 nan 8.380 nan 0.000 0.428 342 T N 0.494 115.050 114.554 0.004 0.000 2.777 342 T HA -0.057 4.293 4.350 0.000 0.000 0.266 342 T C 1.384 176.028 174.700 -0.093 0.000 1.040 342 T CA 0.919 62.973 62.100 -0.076 0.000 1.141 342 T CB -0.188 68.665 68.868 -0.025 0.000 0.868 342 T HN 0.261 nan 8.240 nan 0.000 0.444 343 E N 1.008 121.198 120.200 -0.016 0.000 2.110 343 E HA -0.047 4.303 4.350 0.000 0.000 0.193 343 E C 2.148 178.690 176.600 -0.097 0.000 0.988 343 E CA 0.666 57.052 56.400 -0.024 0.000 0.804 343 E CB -0.337 29.387 29.700 0.040 0.000 0.745 343 E HN 0.312 nan 8.360 nan 0.000 0.458 344 L N 0.347 121.518 121.223 -0.087 0.000 2.093 344 L HA -0.048 4.293 4.340 0.000 0.000 0.208 344 L C 2.377 179.097 176.870 -0.251 0.000 1.085 344 L CA 1.327 56.099 54.840 -0.112 0.000 0.755 344 L CB -0.958 41.065 42.059 -0.061 0.000 0.904 344 L HN 0.159 nan 8.230 nan 0.000 0.435 345 M N -0.842 118.514 119.600 -0.407 0.000 2.108 345 M HA -0.245 4.235 4.480 0.000 0.000 0.261 345 M C 2.075 178.200 176.300 -0.292 0.000 1.066 345 M CA 1.600 56.559 55.300 -0.570 0.000 1.107 345 M CB -0.327 31.890 32.600 -0.638 0.000 1.356 345 M HN 0.198 nan 8.290 nan 0.000 0.406 346 K N -0.016 120.260 120.400 -0.206 0.000 2.211 346 K HA -0.036 4.284 4.320 0.000 0.000 0.203 346 K C 2.019 178.533 176.600 -0.143 0.000 1.050 346 K CA 1.204 57.406 56.287 -0.141 0.000 0.945 346 K CB -0.179 32.254 32.500 -0.110 0.000 0.732 346 K HN 0.282 nan 8.250 nan 0.000 0.451 347 A N 1.752 124.472 122.820 -0.168 0.000 1.897 347 A HA -0.025 4.295 4.320 0.000 0.000 0.215 347 A C 2.405 179.907 177.584 -0.136 0.000 1.181 347 A CA 1.581 53.515 52.037 -0.171 0.000 0.620 347 A CB -0.521 18.375 19.000 -0.173 0.000 0.821 347 A HN 0.291 nan 8.150 nan 0.000 0.443 348 A N -0.225 122.524 122.820 -0.118 0.000 1.969 348 A HA 0.250 4.570 4.320 0.000 0.000 0.218 348 A C 2.395 179.975 177.584 -0.007 0.000 1.169 348 A CA 1.706 53.721 52.037 -0.037 0.000 0.635 348 A CB -0.800 18.175 19.000 -0.042 0.000 0.810 348 A HN 0.988 nan 8.150 nan 0.000 0.445 349 A N -0.031 122.773 122.820 -0.026 0.000 1.969 349 A HA -0.111 4.209 4.320 0.000 0.000 0.218 349 A C 2.081 179.691 177.584 0.043 0.000 1.169 349 A CA 1.330 53.391 52.037 0.040 0.000 0.635 349 A CB -0.319 18.681 19.000 -0.000 0.000 0.810 349 A HN 0.536 nan 8.150 nan 0.000 0.445 350 R N -1.372 119.083 120.500 -0.075 0.000 2.334 350 R HA 0.264 4.604 4.340 0.000 0.000 0.220 350 R C 1.073 177.174 176.300 -0.332 0.000 0.917 350 R CA 0.469 56.505 56.100 -0.108 0.000 1.073 350 R CB 0.027 30.260 30.300 -0.111 0.000 1.056 350 R HN 0.617 nan 8.270 nan 0.000 0.506 351 G N 1.065 109.467 108.800 -0.662 0.000 2.147 351 G HA2 -0.239 3.721 3.960 0.000 0.000 0.244 351 G HA3 -0.239 3.721 3.960 0.000 0.000 0.244 351 G C -0.237 174.355 174.900 -0.513 0.000 1.005 351 G CA -0.355 43.931 45.100 -1.357 0.000 0.713 351 G HN 0.043 nan 8.290 nan 0.000 0.515 352 L N 0.869 121.936 121.223 -0.260 0.000 2.397 352 L HA 0.655 4.995 4.340 0.000 0.000 0.271 352 L C 1.055 177.928 176.870 0.006 0.000 1.148 352 L CA 0.349 55.139 54.840 -0.083 0.000 0.825 352 L CB 1.507 43.508 42.059 -0.097 0.000 1.117 352 L HN 0.293 nan 8.230 nan 0.000 0.456 353 T N 4.046 118.657 114.554 0.095 0.000 2.788 353 T HA 0.577 4.927 4.350 0.000 0.000 0.296 353 T C -0.690 174.121 174.700 0.184 0.000 1.009 353 T CA -0.559 61.630 62.100 0.149 0.000 0.949 353 T CB -0.009 68.945 68.868 0.144 0.000 0.946 353 T HN 0.207 nan 8.240 nan 0.000 0.453 354 L N 5.902 127.243 121.223 0.197 0.000 2.287 354 L HA 0.635 4.975 4.340 0.000 0.000 0.287 354 L C -0.719 176.283 176.870 0.220 0.000 1.022 354 L CA -0.357 54.611 54.840 0.213 0.000 0.814 354 L CB 1.377 43.602 42.059 0.277 0.000 1.217 354 L HN 0.637 nan 8.230 nan 0.000 0.420 355 L N 4.310 125.589 121.223 0.093 0.000 2.365 355 L HA 0.615 4.955 4.340 0.000 0.000 0.273 355 L C -0.840 175.966 176.870 -0.107 0.000 1.000 355 L CA -0.080 54.805 54.840 0.075 0.000 0.819 355 L CB 1.519 43.612 42.059 0.057 0.000 1.284 355 L HN 0.239 nan 8.230 nan 0.000 0.418 356 F N 0.958 120.908 119.950 -0.001 0.000 2.551 356 F HA 0.734 5.261 4.527 0.000 0.000 0.316 356 F C 0.403 176.172 175.800 -0.052 0.000 1.089 356 F CA -0.916 57.065 58.000 -0.031 0.000 0.915 356 F CB 1.908 40.857 39.000 -0.085 0.000 1.186 356 F HN 0.525 nan 8.300 nan 0.000 0.456 357 A N 1.156 124.045 122.820 0.116 0.000 2.477 357 A HA 0.317 4.637 4.320 0.000 0.000 0.246 357 A C 1.119 178.731 177.584 0.047 0.000 1.078 357 A CA 0.364 52.432 52.037 0.051 0.000 0.770 357 A CB 0.088 19.099 19.000 0.017 0.000 1.011 357 A HN 0.962 nan 8.150 nan 0.000 0.494 358 S N 2.165 117.890 115.700 0.042 0.000 2.489 358 S HA 0.403 4.873 4.470 0.000 0.000 0.228 358 S C 1.017 175.669 174.600 0.087 0.000 0.995 358 S CA 0.724 58.972 58.200 0.081 0.000 0.934 358 S CB -0.776 62.522 63.200 0.163 0.000 0.771 358 S HN 2.667 nan 8.310 nan 0.000 0.522 359 G N 0.259 109.077 108.800 0.029 0.000 2.515 359 G HA2 0.056 4.016 3.960 0.000 0.000 0.686 359 G HA3 0.056 4.016 3.960 0.000 0.000 0.686 359 G C -1.095 173.794 174.900 -0.020 0.000 1.274 359 G CA -0.184 44.916 45.100 -0.001 0.000 0.874 359 G HN 0.161 nan 8.290 nan 0.000 0.631 360 D N -0.292 120.080 120.400 -0.046 0.000 2.535 360 D HA 0.364 5.004 4.640 0.000 0.000 0.229 360 D C 1.258 177.501 176.300 -0.095 0.000 1.238 360 D CA 0.567 54.532 54.000 -0.059 0.000 0.824 360 D CB 0.762 41.533 40.800 -0.048 0.000 1.045 360 D HN 0.285 nan 8.370 nan 0.000 0.500 361 S N -0.229 115.398 115.700 -0.122 0.000 2.754 361 S HA 0.472 4.942 4.470 0.000 0.000 0.247 361 S C 1.077 175.509 174.600 -0.280 0.000 1.031 361 S CA -0.100 57.997 58.200 -0.171 0.000 1.014 361 S CB 1.239 64.366 63.200 -0.122 0.000 0.918 361 S HN 0.443 nan 8.310 nan 0.000 0.519 362 G N 2.551 111.151 108.800 -0.333 0.000 2.574 362 G HA2 -0.288 3.672 3.960 0.000 0.000 0.286 362 G HA3 -0.288 3.672 3.960 0.000 0.000 0.286 362 G C 1.038 175.469 174.900 -0.782 0.000 1.212 362 G CA 0.087 44.793 45.100 -0.657 0.000 0.979 362 G HN 0.819 nan 8.290 nan 0.000 0.557 363 A N 0.182 122.297 122.820 -1.174 0.000 2.121 363 A HA 0.522 4.842 4.320 0.000 0.000 0.218 363 A C 2.501 179.914 177.584 -0.285 0.000 1.154 363 A CA 2.144 53.712 52.037 -0.782 0.000 0.679 363 A CB -0.974 17.194 19.000 -1.388 0.000 0.795 363 A HN 2.967 nan 8.150 nan 0.000 0.458 364 G N -2.544 106.116 108.800 -0.233 0.000 2.760 364 G HA2 -0.018 3.942 3.960 0.000 0.000 0.246 364 G HA3 -0.018 3.942 3.960 0.000 0.000 0.246 364 G C -0.370 174.581 174.900 0.085 0.000 1.359 364 G CA -0.261 44.810 45.100 -0.047 0.000 0.861 364 G HN 1.543 nan 8.290 nan 0.000 0.541 365 c N -0.232 118.431 118.600 0.106 0.000 2.607 365 c HA 0.731 5.301 4.570 0.000 0.000 0.350 365 c C -1.359 172.853 174.090 0.202 0.000 1.101 365 c CA -0.476 55.936 56.329 0.137 0.000 1.282 365 c CB 0.614 43.128 42.510 0.005 0.000 1.825 365 c HN 1.302 nan 8.230 nan 0.000 0.460 366 W N 4.714 126.012 121.300 -0.003 0.000 2.781 366 W HA 0.599 5.259 4.660 0.000 0.000 0.333 366 W C -0.701 175.827 176.519 0.015 0.000 1.047 366 W CA -0.461 56.885 57.345 0.002 0.000 1.236 366 W CB 1.909 31.386 29.460 0.030 0.000 1.394 366 W HN 0.686 nan 8.180 nan 0.000 0.466 367 S N 6.071 121.861 115.700 0.150 0.000 2.461 367 S HA 0.653 5.123 4.470 0.000 0.000 0.322 367 S C -0.584 173.874 174.600 -0.237 0.000 1.063 367 S CA -0.361 57.848 58.200 0.015 0.000 1.120 367 S CB 0.161 63.459 63.200 0.164 0.000 0.968 367 S HN 0.254 nan 8.310 nan 0.000 0.467 368 V N 4.424 124.056 119.914 -0.471 0.000 3.700 368 V HA 0.346 4.466 4.120 0.000 0.000 0.277 368 V C 1.832 177.766 176.094 -0.266 0.000 1.067 368 V CA -0.115 61.885 62.300 -0.501 0.000 0.897 368 V CB 0.419 31.821 31.823 -0.702 0.000 1.231 368 V HN 1.042 nan 8.190 nan 0.000 0.425 369 S N 1.301 116.864 115.700 -0.229 0.000 2.068 369 S HA -0.314 4.156 4.470 0.000 0.000 0.498 369 S C 1.179 175.696 174.600 -0.138 0.000 0.963 369 S CA 2.145 60.251 58.200 -0.157 0.000 3.049 369 S CB -1.065 62.040 63.200 -0.159 0.000 2.163 369 S HN 1.331 nan 8.310 nan 0.000 0.541 370 G N 0.846 109.551 108.800 -0.159 0.000 4.773 370 G HA2 0.508 4.468 3.960 0.000 0.000 0.269 370 G HA3 0.508 4.468 3.960 0.000 0.000 0.269 370 G C -0.111 174.666 174.900 -0.206 0.000 0.992 370 G CA -0.475 44.536 45.100 -0.150 0.000 0.775 370 G HN 0.287 nan 8.290 nan 0.000 0.471 371 R N -0.467 119.886 120.500 -0.245 0.000 2.905 371 R HA 0.511 4.851 4.340 0.000 0.000 0.260 371 R C -1.194 174.943 176.300 -0.272 0.000 1.086 371 R CA -0.895 55.016 56.100 -0.316 0.000 0.978 371 R CB 1.461 31.575 30.300 -0.310 0.000 1.215 371 R HN 0.321 nan 8.270 nan 0.000 0.480 372 H N 0.515 119.369 119.070 -0.359 0.000 2.466 372 H HA 0.314 4.870 4.556 0.000 0.000 0.338 372 H C -0.495 174.354 175.328 -0.799 0.000 1.091 372 H CA -0.650 55.157 56.048 -0.402 0.000 1.207 372 H CB 2.018 31.662 29.762 -0.196 0.000 1.466 372 H HN 0.213 nan 8.280 nan 0.000 0.493 373 Q N 1.490 121.076 119.800 -0.357 0.000 2.528 373 Q HA 0.300 4.640 4.340 0.000 0.000 0.289 373 Q C -0.907 175.166 176.000 0.121 0.000 1.091 373 Q CA -1.130 54.459 55.803 -0.356 0.000 0.797 373 Q CB 2.000 30.629 28.738 -0.182 0.000 1.466 373 Q HN 0.369 nan 8.270 nan 0.000 0.436 374 F N 0.864 120.979 119.950 0.275 0.000 2.485 374 F HA 0.242 4.769 4.527 0.000 0.000 0.327 374 F C 0.633 176.634 175.800 0.335 0.000 1.203 374 F CA -0.158 58.012 58.000 0.284 0.000 1.295 374 F CB 0.286 39.458 39.000 0.287 0.000 1.191 374 F HN 0.294 nan 8.300 nan 0.000 0.588 375 R N 2.516 123.280 120.500 0.441 0.000 2.487 375 R HA 0.366 4.706 4.340 0.000 0.000 0.288 375 R C -2.793 173.608 176.300 0.167 0.000 1.394 375 R CA -1.738 54.513 56.100 0.252 0.000 1.155 375 R CB 0.854 31.214 30.300 0.100 0.000 1.156 375 R HN 0.258 nan 8.270 nan 0.000 0.553 376 P HA 0.169 nan 4.420 nan 0.000 0.274 376 P C -0.598 176.809 177.300 0.178 0.000 1.246 376 P CA -0.251 63.026 63.100 0.295 0.000 0.795 376 P CB 1.124 33.066 31.700 0.404 0.000 1.006 377 T N 0.414 115.100 114.554 0.221 0.000 2.924 377 T HA 0.647 4.997 4.350 0.000 0.000 0.291 377 T C -1.627 173.103 174.700 0.049 0.000 1.045 377 T CA -0.276 61.867 62.100 0.071 0.000 1.015 377 T CB 0.379 69.260 68.868 0.023 0.000 1.103 377 T HN 0.266 nan 8.240 nan 0.000 0.496 378 F N 4.337 124.201 119.950 -0.143 0.000 2.585 378 F HA 0.560 5.087 4.527 0.000 0.000 0.319 378 F C -2.605 173.053 175.800 -0.237 0.000 1.165 378 F CA -2.018 55.880 58.000 -0.170 0.000 0.949 378 F CB 2.630 41.601 39.000 -0.049 0.000 1.218 378 F HN 0.361 nan 8.300 nan 0.000 0.453 379 P HA 0.302 nan 4.420 nan 0.000 0.312 379 P C 0.483 176.998 177.300 -1.308 0.000 1.397 379 P CA 0.325 62.115 63.100 -2.183 0.000 1.197 379 P CB 1.272 31.847 31.700 -1.874 0.000 1.605 380 A N 0.808 123.139 122.820 -0.816 0.000 1.969 380 A HA -0.142 4.178 4.320 0.000 0.000 0.218 380 A C 2.069 179.203 177.584 -0.750 0.000 1.169 380 A CA 2.269 53.900 52.037 -0.675 0.000 0.635 380 A CB -1.276 17.329 19.000 -0.657 0.000 0.810 380 A HN 0.295 nan 8.150 nan 0.000 0.445 381 S N -0.631 114.757 115.700 -0.519 0.000 2.562 381 S HA 0.108 4.578 4.470 0.000 0.000 0.221 381 S C 0.986 175.564 174.600 -0.037 0.000 0.975 381 S CA 0.489 58.590 58.200 -0.165 0.000 0.918 381 S CB -0.620 62.731 63.200 0.252 0.000 0.772 381 S HN 0.444 nan 8.310 nan 0.000 0.531 382 S N 3.220 118.778 115.700 -0.236 0.000 2.549 382 S HA 0.199 4.669 4.470 0.000 0.000 0.286 382 S C -1.675 172.739 174.600 -0.311 0.000 1.314 382 S CA -1.133 56.827 58.200 -0.399 0.000 1.062 382 S CB 0.726 63.680 63.200 -0.410 0.000 0.865 382 S HN 0.164 nan 8.310 nan 0.000 0.498 383 P HA 0.051 nan 4.420 nan 0.000 0.233 383 P C -0.267 176.841 177.300 -0.321 0.000 1.167 383 P CA 0.858 63.776 63.100 -0.303 0.000 0.770 383 P CB -0.038 31.366 31.700 -0.493 0.000 0.837 384 Y N -1.322 118.813 120.300 -0.275 0.000 2.625 384 Y HA 0.312 4.862 4.550 0.000 0.000 0.285 384 Y C 0.650 176.265 175.900 -0.475 0.000 1.168 384 Y CA -0.258 57.447 58.100 -0.658 0.000 1.250 384 Y CB 0.370 38.496 38.460 -0.555 0.000 1.130 384 Y HN -0.274 nan 8.280 nan 0.000 0.526 385 V N -0.520 119.381 119.914 -0.022 0.000 3.007 385 V HA 0.359 4.479 4.120 0.000 0.000 0.311 385 V C -0.289 175.949 176.094 0.240 0.000 1.120 385 V CA -0.912 61.467 62.300 0.131 0.000 0.980 385 V CB 2.603 34.438 31.823 0.020 0.000 1.033 385 V HN 0.092 nan 8.190 nan 0.000 0.429 386 T N 2.394 117.102 114.554 0.258 0.000 2.762 386 T HA 0.340 4.690 4.350 0.000 0.000 0.303 386 T C -0.043 174.729 174.700 0.121 0.000 0.977 386 T CA -0.151 62.059 62.100 0.183 0.000 0.961 386 T CB 0.396 69.343 68.868 0.132 0.000 0.944 386 T HN 0.691 nan 8.240 nan 0.000 0.481 387 T N 3.338 117.952 114.554 0.100 0.000 2.799 387 T HA 0.462 4.812 4.350 0.000 0.000 0.286 387 T C 0.070 174.779 174.700 0.016 0.000 0.973 387 T CA -0.551 61.587 62.100 0.063 0.000 1.035 387 T CB 0.987 69.871 68.868 0.026 0.000 0.932 387 T HN 0.302 nan 8.240 nan 0.000 0.469 388 V N 3.183 123.095 119.914 -0.004 0.000 2.378 388 V HA 0.641 4.761 4.120 0.000 0.000 0.288 388 V C 0.868 176.955 176.094 -0.011 0.000 1.016 388 V CA -0.746 61.515 62.300 -0.065 0.000 0.840 388 V CB 1.434 33.208 31.823 -0.082 0.000 0.994 388 V HN 1.038 nan 8.190 nan 0.000 0.431 389 G N 3.036 111.824 108.800 -0.021 0.000 2.525 389 G HA2 0.653 4.613 3.960 0.000 0.000 0.287 389 G HA3 0.653 4.613 3.960 0.000 0.000 0.287 389 G C 0.005 174.909 174.900 0.006 0.000 1.350 389 G CA -0.200 44.897 45.100 -0.005 0.000 1.039 389 G HN 1.029 nan 8.290 nan 0.000 0.513 390 G N -1.535 107.268 108.800 0.005 0.000 2.566 390 G HA2 0.534 4.494 3.960 0.000 0.000 0.311 390 G HA3 0.534 4.494 3.960 0.000 0.000 0.311 390 G C -0.971 173.936 174.900 0.012 0.000 1.322 390 G CA -0.159 44.948 45.100 0.013 0.000 0.969 390 G HN 0.615 nan 8.290 nan 0.000 0.490 391 T N -0.189 114.371 114.554 0.010 0.000 2.916 391 T HA 0.773 5.123 4.350 0.000 0.000 0.292 391 T C -0.576 174.061 174.700 -0.105 0.000 1.064 391 T CA -0.420 61.665 62.100 -0.024 0.000 1.011 391 T CB 1.887 70.758 68.868 0.005 0.000 1.152 391 T HN 0.762 nan 8.240 nan 0.000 0.510 392 S N 0.854 116.456 115.700 -0.163 0.000 2.588 392 S HA 0.721 5.192 4.470 0.000 0.000 0.275 392 S C -1.336 173.041 174.600 -0.371 0.000 1.130 392 S CA -0.680 57.359 58.200 -0.268 0.000 0.855 392 S CB 0.624 63.749 63.200 -0.125 0.000 1.116 392 S HN 0.523 nan 8.310 nan 0.000 0.472 393 F N 2.323 122.052 119.950 -0.369 0.000 2.418 393 F HA 0.275 4.802 4.527 0.000 0.000 0.341 393 F C 1.867 177.445 175.800 -0.370 0.000 1.120 393 F CA -0.027 57.758 58.000 -0.358 0.000 1.232 393 F CB 0.972 39.781 39.000 -0.320 0.000 1.175 393 F HN 0.791 nan 8.300 nan 0.000 0.569 394 Q N 1.557 121.417 119.800 0.101 0.000 2.089 394 Q HA -0.043 4.297 4.340 0.000 0.000 0.195 394 Q C -0.179 175.901 176.000 0.133 0.000 0.963 394 Q CA 0.824 56.681 55.803 0.090 0.000 0.834 394 Q CB 0.247 29.047 28.738 0.102 0.000 0.906 394 Q HN 0.735 nan 8.270 nan 0.000 0.452 395 E N -0.467 119.818 120.200 0.140 0.000 2.222 395 E HA 0.212 4.562 4.350 0.000 0.000 0.267 395 E C -2.244 174.505 176.600 0.249 0.000 0.963 395 E CA -2.247 54.250 56.400 0.162 0.000 0.837 395 E CB 1.190 30.954 29.700 0.108 0.000 1.183 395 E HN -0.025 nan 8.360 nan 0.000 0.403 396 P HA -0.030 nan 4.420 nan 0.000 0.217 396 P C 0.235 177.572 177.300 0.062 0.000 1.151 396 P CA 1.042 64.249 63.100 0.180 0.000 0.828 396 P CB 0.106 31.891 31.700 0.141 0.000 0.788 397 F N -2.128 117.854 119.950 0.053 0.000 2.706 397 F HA 0.208 4.735 4.527 0.000 0.000 0.313 397 F C 0.381 176.143 175.800 -0.063 0.000 1.096 397 F CA -0.117 57.889 58.000 0.009 0.000 1.219 397 F CB 0.765 39.770 39.000 0.008 0.000 1.051 397 F HN -0.285 nan 8.300 nan 0.000 0.568 398 L N 0.764 122.006 121.223 0.031 0.000 2.354 398 L HA 0.425 4.765 4.340 0.000 0.000 0.264 398 L C 0.579 177.207 176.870 -0.403 0.000 1.008 398 L CA -0.507 54.265 54.840 -0.112 0.000 0.819 398 L CB 1.583 43.620 42.059 -0.037 0.000 1.339 398 L HN 0.077 nan 8.230 nan 0.000 0.420 399 I N -2.789 117.465 120.570 -0.527 0.000 3.877 399 I HA 0.168 4.338 4.170 0.000 0.000 0.332 399 I C 0.872 176.778 176.117 -0.352 0.000 1.525 399 I CA -0.004 60.700 61.300 -0.992 0.000 1.146 399 I CB 0.389 37.832 38.000 -0.928 0.000 1.137 399 I HN 0.505 nan 8.210 nan 0.000 0.424 400 T N 0.879 115.323 114.554 -0.184 0.000 2.867 400 T HA -0.003 4.347 4.350 0.000 0.000 0.268 400 T C 0.825 175.504 174.700 -0.035 0.000 1.057 400 T CA 1.135 63.193 62.100 -0.070 0.000 1.136 400 T CB -0.318 68.532 68.868 -0.029 0.000 0.874 400 T HN 0.505 nan 8.240 nan 0.000 0.466 401 N N 0.542 119.258 118.700 0.026 0.000 2.308 401 N HA 0.203 4.943 4.740 0.000 0.000 0.283 401 N C -1.873 173.682 175.510 0.074 0.000 1.105 401 N CA -0.302 52.749 53.050 0.001 0.000 0.840 401 N CB 2.402 40.934 38.487 0.075 0.000 1.633 401 N HN 0.163 nan 8.380 nan 0.000 0.476 402 E N 1.686 121.827 120.200 -0.099 0.000 2.191 402 E HA 0.473 4.823 4.350 0.000 0.000 0.278 402 E C -0.588 176.078 176.600 0.111 0.000 0.972 402 E CA -0.434 55.940 56.400 -0.044 0.000 0.804 402 E CB 2.429 32.054 29.700 -0.126 0.000 1.110 402 E HN 0.407 nan 8.360 nan 0.000 0.394 403 I N 2.153 122.748 120.570 0.043 0.000 2.957 403 I HA 0.303 4.473 4.170 0.000 0.000 0.310 403 I C -0.536 175.594 176.117 0.022 0.000 1.063 403 I CA -1.329 60.005 61.300 0.057 0.000 1.033 403 I CB 1.710 39.737 38.000 0.044 0.000 1.230 403 I HN 0.348 nan 8.210 nan 0.000 0.447 404 V N 1.667 121.597 119.914 0.027 0.000 2.655 404 V HA 0.226 4.346 4.120 0.000 0.000 0.300 404 V C -0.214 175.903 176.094 0.038 0.000 1.044 404 V CA -0.333 61.975 62.300 0.014 0.000 1.095 404 V CB 0.973 32.791 31.823 -0.009 0.000 0.952 404 V HN 0.669 nan 8.190 nan 0.000 0.485 405 D N 3.038 123.461 120.400 0.039 0.000 2.277 405 D HA 0.149 4.789 4.640 0.000 0.000 0.249 405 D C 0.510 176.894 176.300 0.139 0.000 1.134 405 D CA -0.314 53.734 54.000 0.081 0.000 0.863 405 D CB 0.892 41.722 40.800 0.050 0.000 1.143 405 D HN 0.704 nan 8.370 nan 0.000 0.458 406 Y N 4.533 124.849 120.300 0.028 0.000 2.173 406 Y HA -0.267 4.283 4.550 0.000 0.000 0.282 406 Y C 1.764 177.686 175.900 0.038 0.000 1.192 406 Y CA 2.085 60.206 58.100 0.035 0.000 1.176 406 Y CB -0.334 38.138 38.460 0.020 0.000 0.969 406 Y HN 0.632 nan 8.280 nan 0.000 0.519 407 I N -2.612 117.961 120.570 0.005 0.000 3.578 407 I HA 0.116 4.287 4.170 0.000 0.000 0.295 407 I C 1.183 177.255 176.117 -0.074 0.000 1.280 407 I CA 0.467 61.703 61.300 -0.108 0.000 1.347 407 I CB -0.462 37.520 38.000 -0.031 0.000 1.051 407 I HN 0.038 nan 8.210 nan 0.000 0.460 408 S N 2.488 118.190 115.700 0.003 0.000 2.555 408 S HA 0.293 4.763 4.470 0.000 0.000 0.293 408 S C 0.842 175.485 174.600 0.073 0.000 1.248 408 S CA -0.098 58.123 58.200 0.035 0.000 1.096 408 S CB -0.456 62.766 63.200 0.037 0.000 0.881 408 S HN 0.562 nan 8.310 nan 0.000 0.498 409 G N 3.425 112.248 108.800 0.038 0.000 2.441 409 G HA2 0.535 4.495 3.960 0.000 0.000 0.243 409 G HA3 0.535 4.495 3.960 0.000 0.000 0.243 409 G C 0.270 175.247 174.900 0.128 0.000 1.281 409 G CA -0.022 45.111 45.100 0.055 0.000 0.854 409 G HN 1.085 nan 8.290 nan 0.000 0.560 410 G N -0.864 107.952 108.800 0.027 0.000 2.547 410 G HA2 0.857 4.817 3.960 0.000 0.000 0.291 410 G HA3 0.857 4.817 3.960 0.000 0.000 0.291 410 G C -0.253 174.351 174.900 -0.493 0.000 1.471 410 G CA 0.311 45.220 45.100 -0.319 0.000 0.798 410 G HN 1.917 nan 8.290 nan 0.000 0.504 411 G N -1.472 106.720 108.800 -1.013 0.000 2.373 411 G HA2 0.485 4.445 3.960 0.000 0.000 0.250 411 G HA3 0.485 4.445 3.960 0.000 0.000 0.250 411 G C -1.899 172.692 174.900 -0.515 0.000 1.304 411 G CA -0.683 44.178 45.100 -0.399 0.000 0.948 411 G HN 0.949 nan 8.290 nan 0.000 0.474 412 F N 1.106 121.091 119.950 0.058 0.000 2.518 412 F HA 0.675 5.202 4.527 0.000 0.000 0.323 412 F C 0.751 176.754 175.800 0.337 0.000 1.129 412 F CA -0.523 57.616 58.000 0.230 0.000 0.920 412 F CB 2.476 41.686 39.000 0.349 0.000 1.160 412 F HN 0.476 nan 8.300 nan 0.000 0.440 413 S N 1.705 117.685 115.700 0.467 0.000 2.562 413 S HA 0.102 4.572 4.470 0.000 0.000 0.281 413 S C 0.810 175.611 174.600 0.335 0.000 1.333 413 S CA -0.431 58.012 58.200 0.405 0.000 1.052 413 S CB 0.343 63.789 63.200 0.410 0.000 0.884 413 S HN 0.650 nan 8.310 nan 0.000 0.506 414 N N 2.949 121.800 118.700 0.252 0.000 2.280 414 N HA 0.112 4.852 4.740 0.000 0.000 0.192 414 N C 0.671 176.218 175.510 0.060 0.000 1.109 414 N CA 0.287 53.446 53.050 0.181 0.000 0.855 414 N CB 0.578 39.191 38.487 0.210 0.000 0.974 414 N HN 0.377 nan 8.380 nan 0.000 0.482 415 V N -0.803 119.103 119.914 -0.014 0.000 3.250 415 V HA 0.277 4.397 4.120 0.000 0.000 0.240 415 V C -0.381 175.492 176.094 -0.367 0.000 1.275 415 V CA 0.344 62.479 62.300 -0.274 0.000 1.206 415 V CB 0.438 31.931 31.823 -0.549 0.000 0.976 415 V HN -0.104 nan 8.190 nan 0.000 0.467 416 F N 1.994 121.992 119.950 0.080 0.000 2.427 416 F HA 0.635 5.162 4.527 0.000 0.000 0.346 416 F C -2.464 173.372 175.800 0.059 0.000 1.120 416 F CA -3.122 54.917 58.000 0.065 0.000 1.033 416 F CB 0.911 39.955 39.000 0.074 0.000 1.126 416 F HN -0.043 nan 8.300 nan 0.000 0.462 417 P HA 0.119 nan 4.420 nan 0.000 0.274 417 P C -0.452 176.888 177.300 0.067 0.000 1.231 417 P CA -0.668 62.505 63.100 0.121 0.000 0.790 417 P CB 0.568 32.315 31.700 0.079 0.000 0.951 418 R N 3.382 123.903 120.500 0.035 0.000 2.526 418 R HA 0.001 4.341 4.340 0.000 0.000 0.319 418 R C -1.818 174.371 176.300 -0.185 0.000 0.888 418 R CA -0.544 55.511 56.100 -0.075 0.000 1.127 418 R CB -0.631 29.645 30.300 -0.040 0.000 0.888 418 R HN 0.388 nan 8.270 nan 0.000 0.410 419 P HA 0.013 nan 4.420 nan 0.000 0.277 419 P C 0.025 177.012 177.300 -0.522 0.000 1.240 419 P CA -0.274 62.527 63.100 -0.498 0.000 0.798 419 P CB 1.537 32.702 31.700 -0.893 0.000 0.979 420 S N 1.843 117.360 115.700 -0.304 0.000 2.419 420 S HA -0.238 4.232 4.470 0.000 0.000 0.233 420 S C 1.912 176.407 174.600 -0.176 0.000 1.016 420 S CA 1.077 59.172 58.200 -0.175 0.000 0.974 420 S CB -1.717 61.450 63.200 -0.055 0.000 0.786 420 S HN 0.617 nan 8.310 nan 0.000 0.492 421 Y N 2.335 122.550 120.300 -0.142 0.000 2.483 421 Y HA 0.052 4.602 4.550 0.000 0.000 0.291 421 Y C 2.097 177.819 175.900 -0.296 0.000 1.143 421 Y CA 0.709 58.701 58.100 -0.180 0.000 1.289 421 Y CB -0.735 37.602 38.460 -0.205 0.000 0.983 421 Y HN 0.566 nan 8.280 nan 0.000 0.556 422 Q N 0.282 119.779 119.800 -0.505 0.000 2.179 422 Q HA 0.127 4.467 4.340 0.000 0.000 0.213 422 Q C 1.187 177.021 176.000 -0.276 0.000 0.833 422 Q CA 0.285 55.800 55.803 -0.479 0.000 0.990 422 Q CB 0.268 28.492 28.738 -0.857 0.000 1.132 422 Q HN 0.413 nan 8.270 nan 0.000 0.493 423 E N 2.481 122.575 120.200 -0.177 0.000 2.085 423 E HA -0.269 4.081 4.350 0.000 0.000 0.194 423 E C 1.755 178.338 176.600 -0.028 0.000 0.994 423 E CA 1.992 58.336 56.400 -0.093 0.000 0.801 423 E CB 0.077 29.745 29.700 -0.053 0.000 0.743 423 E HN 0.571 nan 8.360 nan 0.000 0.453 424 E N -0.587 119.628 120.200 0.024 0.000 2.015 424 E HA -0.187 4.163 4.350 0.000 0.000 0.191 424 E C 2.022 178.667 176.600 0.075 0.000 0.991 424 E CA 1.087 57.532 56.400 0.076 0.000 0.802 424 E CB -0.330 29.455 29.700 0.142 0.000 0.759 424 E HN 0.340 nan 8.360 nan 0.000 0.447 425 A N 0.476 123.342 122.820 0.076 0.000 1.908 425 A HA -0.150 4.170 4.320 0.000 0.000 0.218 425 A C 2.369 179.907 177.584 -0.077 0.000 1.181 425 A CA 1.600 53.636 52.037 -0.002 0.000 0.627 425 A CB -0.583 18.316 19.000 -0.169 0.000 0.818 425 A HN 0.247 nan 8.150 nan 0.000 0.445 426 V N 0.337 120.116 119.914 -0.226 0.000 2.407 426 V HA -0.183 3.937 4.120 0.000 0.000 0.245 426 V C 2.960 179.166 176.094 0.186 0.000 1.041 426 V CA 2.279 64.510 62.300 -0.115 0.000 1.040 426 V CB -1.247 30.448 31.823 -0.213 0.000 0.671 426 V HN 0.825 nan 8.190 nan 0.000 0.455 427 T N -1.754 112.864 114.554 0.107 0.000 2.788 427 T HA -0.230 4.120 4.350 0.000 0.000 0.268 427 T C 1.861 176.644 174.700 0.139 0.000 1.044 427 T CA 1.335 63.509 62.100 0.124 0.000 1.139 427 T CB -0.321 68.591 68.868 0.073 0.000 0.867 427 T HN 0.368 nan 8.240 nan 0.000 0.454 428 K N 0.074 120.558 120.400 0.140 0.000 2.063 428 K HA -0.039 4.281 4.320 0.000 0.000 0.208 428 K C 1.967 178.675 176.600 0.179 0.000 1.048 428 K CA 1.615 57.984 56.287 0.138 0.000 0.928 428 K CB -0.404 32.179 32.500 0.139 0.000 0.713 428 K HN 0.434 nan 8.250 nan 0.000 0.442 429 F N 1.379 121.419 119.950 0.150 0.000 2.146 429 F HA -0.177 4.350 4.527 0.000 0.000 0.298 429 F C 1.714 177.609 175.800 0.159 0.000 1.096 429 F CA 0.972 59.081 58.000 0.180 0.000 1.275 429 F CB -0.096 39.101 39.000 0.327 0.000 1.008 429 F HN -0.118 nan 8.300 nan 0.000 0.480 430 L N 0.480 121.809 121.223 0.176 0.000 2.131 430 L HA -0.151 4.189 4.340 0.000 0.000 0.210 430 L C 2.609 179.462 176.870 -0.029 0.000 1.092 430 L CA 2.002 56.888 54.840 0.077 0.000 0.759 430 L CB -1.778 40.412 42.059 0.219 0.000 0.903 430 L HN 0.411 nan 8.230 nan 0.000 0.435 431 S N -2.705 112.990 115.700 -0.009 0.000 2.524 431 S HA 0.011 4.481 4.470 0.000 0.000 0.216 431 S C 1.632 176.202 174.600 -0.050 0.000 0.987 431 S CA 0.495 58.686 58.200 -0.014 0.000 0.909 431 S CB -0.013 63.197 63.200 0.016 0.000 0.781 431 S HN 0.468 nan 8.310 nan 0.000 0.521 432 S N 0.160 115.803 115.700 -0.096 0.000 2.604 432 S HA 0.303 4.773 4.470 0.000 0.000 0.235 432 S C 0.496 175.005 174.600 -0.151 0.000 1.043 432 S CA -0.135 58.010 58.200 -0.091 0.000 0.997 432 S CB -0.031 63.147 63.200 -0.038 0.000 0.956 432 S HN 0.293 nan 8.310 nan 0.000 0.535 433 S N 3.667 119.193 115.700 -0.289 0.000 2.474 433 S HA 0.398 4.868 4.470 0.000 0.000 0.276 433 S C -0.952 173.533 174.600 -0.192 0.000 1.227 433 S CA -1.251 56.760 58.200 -0.316 0.000 1.050 433 S CB 0.990 63.773 63.200 -0.694 0.000 0.939 433 S HN 0.318 nan 8.310 nan 0.000 0.490 434 P HA -0.012 nan 4.420 nan 0.000 0.218 434 P C -0.145 176.962 177.300 -0.322 0.000 1.152 434 P CA 1.105 64.043 63.100 -0.270 0.000 0.826 434 P CB -0.136 31.334 31.700 -0.384 0.000 0.790 435 H N -0.468 118.597 119.070 -0.009 0.000 2.638 435 H HA 0.284 4.840 4.556 0.000 0.000 0.293 435 H C 0.015 175.375 175.328 0.052 0.000 1.316 435 H CA -0.768 55.293 56.048 0.021 0.000 1.099 435 H CB -0.712 29.069 29.762 0.033 0.000 1.515 435 H HN -0.006 nan 8.280 nan 0.000 0.505 436 L N 2.904 124.185 121.223 0.095 0.000 2.360 436 L HA 0.254 4.595 4.340 0.000 0.000 0.276 436 L C -2.070 174.904 176.870 0.173 0.000 1.121 436 L CA -1.994 52.941 54.840 0.158 0.000 0.845 436 L CB 0.364 42.483 42.059 0.100 0.000 1.143 436 L HN 0.156 nan 8.230 nan 0.000 0.452 437 P HA 0.269 nan 4.420 nan 0.000 0.274 437 P C -2.677 174.736 177.300 0.188 0.000 1.246 437 P CA -1.356 61.803 63.100 0.098 0.000 0.795 437 P CB -0.420 31.283 31.700 0.005 0.000 1.006 438 P HA -0.025 nan 4.420 nan 0.000 0.264 438 P C 0.636 177.999 177.300 0.106 0.000 1.193 438 P CA 0.290 63.420 63.100 0.050 0.000 0.763 438 P CB 0.210 31.907 31.700 -0.005 0.000 0.810 439 S N 0.829 116.520 115.700 -0.015 0.000 2.595 439 S HA -0.121 4.350 4.470 0.000 0.000 0.235 439 S C 1.908 176.332 174.600 -0.294 0.000 0.974 439 S CA 0.831 58.832 58.200 -0.331 0.000 0.942 439 S CB -0.739 62.260 63.200 -0.336 0.000 0.766 439 S HN 0.507 nan 8.310 nan 0.000 0.536 440 S N 0.437 116.088 115.700 -0.081 0.000 2.399 440 S HA -0.082 4.388 4.470 0.000 0.000 0.231 440 S C 1.296 175.829 174.600 -0.111 0.000 1.022 440 S CA 0.671 58.826 58.200 -0.074 0.000 0.983 440 S CB -0.544 62.660 63.200 0.006 0.000 0.803 440 S HN 0.664 nan 8.310 nan 0.000 0.480 441 Y N 1.004 121.164 120.300 -0.232 0.000 2.544 441 Y HA 0.311 4.861 4.550 0.000 0.000 0.286 441 Y C 0.458 176.289 175.900 -0.114 0.000 1.141 441 Y CA -0.303 57.571 58.100 -0.377 0.000 1.299 441 Y CB 0.045 37.930 38.460 -0.958 0.000 1.030 441 Y HN 0.495 nan 8.280 nan 0.000 0.543 442 F N -3.415 116.522 119.950 -0.021 0.000 2.773 442 F HA 0.453 4.980 4.527 0.000 0.000 0.314 442 F C -1.364 174.479 175.800 0.072 0.000 1.160 442 F CA -1.836 56.248 58.000 0.139 0.000 0.920 442 F CB 0.893 40.126 39.000 0.389 0.000 1.323 442 F HN -0.451 nan 8.300 nan 0.000 0.457 443 N N 1.099 119.912 118.700 0.189 0.000 2.469 443 N HA 0.470 5.210 4.740 0.000 0.000 0.253 443 N C 0.334 175.918 175.510 0.122 0.000 0.970 443 N CA 0.228 53.311 53.050 0.056 0.000 0.940 443 N CB 1.968 40.553 38.487 0.163 0.000 1.128 443 N HN 0.931 nan 8.380 nan 0.000 0.503 444 A N 1.864 124.633 122.820 -0.085 0.000 2.209 444 A HA -0.074 4.246 4.320 0.000 0.000 0.212 444 A C 1.688 179.391 177.584 0.197 0.000 1.158 444 A CA 1.062 53.087 52.037 -0.020 0.000 0.742 444 A CB -0.122 18.858 19.000 -0.033 0.000 0.790 444 A HN 0.628 nan 8.150 nan 0.000 0.472 445 S N -1.121 114.688 115.700 0.182 0.000 2.548 445 S HA 0.333 4.803 4.470 0.000 0.000 0.215 445 S C 1.054 175.786 174.600 0.221 0.000 0.976 445 S CA 0.219 58.519 58.200 0.166 0.000 0.908 445 S CB -0.217 63.040 63.200 0.094 0.000 0.781 445 S HN 0.573 nan 8.310 nan 0.000 0.519 446 G N 1.509 110.520 108.800 0.352 0.000 2.476 446 G HA2 0.434 4.394 3.960 0.000 0.000 0.286 446 G HA3 0.434 4.394 3.960 0.000 0.000 0.286 446 G C -0.358 174.715 174.900 0.288 0.000 1.177 446 G CA -0.929 44.375 45.100 0.339 0.000 0.870 446 G HN 0.265 nan 8.290 nan 0.000 0.528 447 R N 0.634 121.248 120.500 0.189 0.000 2.488 447 R HA 0.165 4.505 4.340 0.000 0.000 0.317 447 R C 0.125 176.440 176.300 0.024 0.000 0.941 447 R CA 0.295 56.436 56.100 0.067 0.000 1.076 447 R CB -0.407 29.954 30.300 0.102 0.000 0.917 447 R HN 0.512 nan 8.270 nan 0.000 0.407 448 A N 5.494 128.188 122.820 -0.211 0.000 2.312 448 A HA 0.612 4.932 4.320 0.000 0.000 0.328 448 A C -1.300 176.279 177.584 -0.007 0.000 1.158 448 A CA -0.600 51.118 52.037 -0.531 0.000 0.821 448 A CB 0.825 19.234 19.000 -0.985 0.000 1.170 448 A HN 0.786 nan 8.150 nan 0.000 0.490 449 Y N -0.234 119.980 120.300 -0.144 0.000 2.474 449 Y HA 0.752 5.303 4.550 0.000 0.000 0.326 449 Y C -3.507 172.311 175.900 -0.137 0.000 1.160 449 Y CA -2.356 55.741 58.100 -0.004 0.000 1.056 449 Y CB 1.276 39.737 38.460 0.001 0.000 1.330 449 Y HN 0.466 nan 8.280 nan 0.000 0.447 450 P HA 0.444 nan 4.420 nan 0.000 0.321 450 P C -0.582 176.852 177.300 0.223 0.000 1.277 450 P CA -0.317 62.907 63.100 0.206 0.000 0.839 450 P CB 2.331 34.073 31.700 0.071 0.000 1.352 451 D N -1.465 119.069 120.400 0.223 0.000 2.323 451 D HA 0.110 4.750 4.640 0.000 0.000 0.218 451 D C 0.756 177.141 176.300 0.142 0.000 0.973 451 D CA 1.091 55.284 54.000 0.322 0.000 0.890 451 D CB 0.644 41.645 40.800 0.334 0.000 1.011 451 D HN 0.219 nan 8.370 nan 0.000 0.499 452 V N -2.731 117.156 119.914 -0.046 0.000 3.112 452 V HA 0.933 5.053 4.120 0.000 0.000 0.310 452 V C -1.461 174.547 176.094 -0.143 0.000 1.364 452 V CA -0.951 61.256 62.300 -0.156 0.000 1.058 452 V CB 1.762 33.189 31.823 -0.659 0.000 1.079 452 V HN 0.069 nan 8.190 nan 0.000 0.463 453 A N -0.506 122.288 122.820 -0.044 0.000 2.610 453 A HA 1.114 5.434 4.320 0.000 0.000 0.291 453 A C -0.511 177.189 177.584 0.193 0.000 1.086 453 A CA -0.201 51.864 52.037 0.046 0.000 0.677 453 A CB 1.211 20.230 19.000 0.031 0.000 1.278 453 A HN 2.823 nan 8.150 nan 0.000 0.414 454 A N -0.241 122.679 122.820 0.167 0.000 2.581 454 A HA 0.705 5.025 4.320 0.000 0.000 0.290 454 A C -1.071 176.622 177.584 0.180 0.000 1.119 454 A CA -0.678 51.493 52.037 0.224 0.000 0.670 454 A CB 0.164 19.308 19.000 0.240 0.000 1.280 454 A HN 1.277 nan 8.150 nan 0.000 0.425 455 L N 1.532 122.891 121.223 0.228 0.000 2.601 455 L HA 0.065 4.405 4.340 0.000 0.000 0.277 455 L C 1.212 178.209 176.870 0.212 0.000 1.219 455 L CA 0.838 55.739 54.840 0.101 0.000 0.915 455 L CB 0.627 42.673 42.059 -0.021 0.000 1.160 455 L HN 0.861 nan 8.230 nan 0.000 0.494 456 S N -0.912 114.859 115.700 0.119 0.000 2.730 456 S HA 0.168 4.638 4.470 0.000 0.000 0.244 456 S C -0.219 174.441 174.600 0.100 0.000 1.022 456 S CA -0.686 57.543 58.200 0.049 0.000 1.014 456 S CB 0.251 63.449 63.200 -0.003 0.000 0.963 456 S HN 0.639 nan 8.310 nan 0.000 0.540 457 D N 0.966 121.489 120.400 0.206 0.000 2.593 457 D HA 0.540 5.180 4.640 0.000 0.000 0.251 457 D C 0.589 177.049 176.300 0.266 0.000 1.140 457 D CA 0.619 54.733 54.000 0.190 0.000 0.855 457 D CB 1.183 42.047 40.800 0.108 0.000 1.267 457 D HN 0.352 nan 8.370 nan 0.000 0.532 458 G N 2.733 111.717 108.800 0.307 0.000 2.248 458 G HA2 -0.271 3.690 3.960 0.000 0.000 0.263 458 G HA3 -0.271 3.690 3.960 0.000 0.000 0.263 458 G C -0.329 174.630 174.900 0.099 0.000 1.082 458 G CA -0.150 45.138 45.100 0.314 0.000 0.863 458 G HN 0.477 nan 8.290 nan 0.000 0.495 459 Y N -1.270 118.979 120.300 -0.085 0.000 2.335 459 Y HA 0.448 4.998 4.550 0.000 0.000 0.331 459 Y C 0.998 176.845 175.900 -0.089 0.000 1.094 459 Y CA -0.918 57.106 58.100 -0.126 0.000 1.253 459 Y CB 0.653 38.941 38.460 -0.288 0.000 1.203 459 Y HN 0.285 nan 8.280 nan 0.000 0.508 460 W N 3.576 124.926 121.300 0.082 0.000 2.304 460 W HA 0.463 5.123 4.660 0.000 0.000 0.313 460 W C -0.737 176.018 176.519 0.393 0.000 1.323 460 W CA -0.104 57.318 57.345 0.129 0.000 1.223 460 W CB 0.616 30.076 29.460 -0.000 0.000 1.237 460 W HN 0.111 nan 8.180 nan 0.000 0.535 461 V N 4.242 124.533 119.914 0.627 0.000 2.962 461 V HA 0.471 4.591 4.120 0.000 0.000 0.313 461 V C -0.777 175.646 176.094 0.549 0.000 1.099 461 V CA -1.158 61.492 62.300 0.584 0.000 0.971 461 V CB 2.446 34.474 31.823 0.342 0.000 1.028 461 V HN 0.117 nan 8.190 nan 0.000 0.430 462 V N 2.946 123.171 119.914 0.519 0.000 2.370 462 V HA 0.672 4.792 4.120 0.000 0.000 0.283 462 V C -0.085 176.148 176.094 0.231 0.000 1.023 462 V CA -0.099 62.431 62.300 0.382 0.000 0.857 462 V CB 1.510 33.582 31.823 0.415 0.000 0.985 462 V HN 0.823 nan 8.190 nan 0.000 0.443 463 S N 4.482 120.288 115.700 0.177 0.000 2.614 463 S HA 0.451 4.921 4.470 0.000 0.000 0.275 463 S C 0.020 174.669 174.600 0.080 0.000 1.161 463 S CA -0.614 57.647 58.200 0.101 0.000 0.969 463 S CB 0.629 63.878 63.200 0.082 0.000 1.059 463 S HN 0.852 nan 8.310 nan 0.000 0.482 464 N N 3.043 121.774 118.700 0.052 0.000 2.740 464 N HA -0.165 4.575 4.740 0.000 0.000 0.248 464 N C -0.046 175.516 175.510 0.087 0.000 1.062 464 N CA 1.162 54.255 53.050 0.072 0.000 0.704 464 N CB -0.965 37.551 38.487 0.048 0.000 0.968 464 N HN 0.902 nan 8.380 nan 0.000 0.547 465 R N -3.729 116.832 120.500 0.102 0.000 3.953 465 R HA -0.199 4.141 4.340 0.000 0.000 0.340 465 R C -0.150 176.200 176.300 0.084 0.000 1.195 465 R CA 1.201 57.355 56.100 0.089 0.000 0.929 465 R CB -1.705 28.634 30.300 0.065 0.000 1.402 465 R HN 0.235 nan 8.270 nan 0.000 0.540 466 V N 1.077 121.053 119.914 0.104 0.000 2.555 466 V HA 0.593 4.713 4.120 0.000 0.000 0.302 466 V C -2.131 174.070 176.094 0.178 0.000 1.038 466 V CA -2.523 59.848 62.300 0.117 0.000 0.887 466 V CB 2.069 33.953 31.823 0.103 0.000 0.991 466 V HN -0.098 nan 8.190 nan 0.000 0.434 467 P HA 0.385 nan 4.420 nan 0.000 0.285 467 P C -1.266 176.293 177.300 0.432 0.000 1.259 467 P CA -0.252 63.073 63.100 0.376 0.000 0.794 467 P CB 0.940 32.839 31.700 0.331 0.000 0.940 468 I N 5.753 126.563 120.570 0.399 0.000 2.355 468 I HA 0.245 4.415 4.170 0.000 0.000 0.288 468 I C -1.739 174.279 176.117 -0.166 0.000 0.999 468 I CA -3.116 58.272 61.300 0.147 0.000 1.163 468 I CB 1.071 39.142 38.000 0.118 0.000 1.316 468 I HN 0.118 nan 8.210 nan 0.000 0.454 469 P HA -0.116 nan 4.420 nan 0.000 0.210 469 P C -0.000 176.607 177.300 -1.154 0.000 1.189 469 P CA 1.786 63.901 63.100 -1.642 0.000 0.920 469 P CB 0.124 31.042 31.700 -1.303 0.000 0.782 470 W N -0.945 120.145 121.300 -0.349 0.000 1.788 470 W HA 0.366 5.026 4.660 0.000 0.000 0.318 470 W C -0.877 175.587 176.519 -0.092 0.000 0.785 470 W CA -0.475 56.743 57.345 -0.212 0.000 2.625 470 W CB -0.013 29.352 29.460 -0.159 0.000 2.210 470 W HN -0.342 nan 8.180 nan 0.000 0.591 471 V N 2.310 122.279 119.914 0.090 0.000 2.470 471 V HA 0.306 4.426 4.120 0.000 0.000 0.276 471 V C 0.474 176.612 176.094 0.073 0.000 1.040 471 V CA 0.168 62.513 62.300 0.074 0.000 1.008 471 V CB 0.634 32.484 31.823 0.046 0.000 0.990 471 V HN 0.172 nan 8.190 nan 0.000 0.477 472 S N 2.734 118.455 115.700 0.036 0.000 2.542 472 S HA 0.964 5.434 4.470 0.000 0.000 0.293 472 S C 0.142 174.713 174.600 -0.049 0.000 1.089 472 S CA -0.224 57.984 58.200 0.014 0.000 0.961 472 S CB 2.026 65.265 63.200 0.065 0.000 1.062 472 S HN 1.355 nan 8.310 nan 0.000 0.483 473 G N 0.375 109.124 108.800 -0.085 0.000 2.352 473 G HA2 0.280 4.241 3.960 0.000 0.000 0.305 473 G HA3 0.280 4.241 3.960 0.000 0.000 0.305 473 G C 0.212 175.041 174.900 -0.117 0.000 1.537 473 G CA -0.101 44.946 45.100 -0.088 0.000 0.959 473 G HN 0.735 nan 8.290 nan 0.000 0.668 474 T N -1.591 112.920 114.554 -0.072 0.000 3.098 474 T HA 0.014 4.365 4.350 0.000 0.000 0.266 474 T C 2.166 176.819 174.700 -0.078 0.000 1.145 474 T CA 1.878 63.943 62.100 -0.059 0.000 1.092 474 T CB -0.049 68.807 68.868 -0.020 0.000 0.908 474 T HN 0.520 nan 8.240 nan 0.000 0.526 475 S N 1.297 116.938 115.700 -0.099 0.000 2.507 475 S HA 0.253 4.723 4.470 0.000 0.000 0.235 475 S C 2.334 176.827 174.600 -0.178 0.000 0.988 475 S CA 0.562 58.699 58.200 -0.105 0.000 0.944 475 S CB -0.343 62.805 63.200 -0.087 0.000 0.762 475 S HN 0.782 nan 8.310 nan 0.000 0.526 476 A N 1.685 124.325 122.820 -0.300 0.000 1.943 476 A HA 0.064 4.384 4.320 0.000 0.000 0.213 476 A C 2.236 179.608 177.584 -0.353 0.000 1.181 476 A CA 1.092 52.777 52.037 -0.585 0.000 0.653 476 A CB -0.529 17.733 19.000 -1.231 0.000 0.833 476 A HN 0.527 nan 8.150 nan 0.000 0.451 477 S N -0.420 115.177 115.700 -0.172 0.000 2.436 477 S HA -0.088 4.382 4.470 0.000 0.000 0.228 477 S C 1.761 176.402 174.600 0.070 0.000 1.014 477 S CA 1.450 59.657 58.200 0.012 0.000 0.950 477 S CB -0.772 62.456 63.200 0.048 0.000 0.784 477 S HN 0.476 nan 8.310 nan 0.000 0.504 478 T N 3.398 117.962 114.554 0.017 0.000 2.777 478 T HA 0.007 4.357 4.350 0.000 0.000 0.266 478 T C -0.682 174.062 174.700 0.073 0.000 1.040 478 T CA 1.302 63.427 62.100 0.042 0.000 1.141 478 T CB -1.326 67.536 68.868 -0.009 0.000 0.868 478 T HN 0.428 nan 8.240 nan 0.000 0.444 479 P HA 0.098 nan 4.420 nan 0.000 0.220 479 P C 1.671 179.039 177.300 0.113 0.000 1.152 479 P CA 0.471 63.608 63.100 0.063 0.000 0.812 479 P CB -0.198 31.529 31.700 0.045 0.000 0.792 480 V N -0.482 119.520 119.914 0.145 0.000 2.261 480 V HA -0.217 3.903 4.120 0.000 0.000 0.246 480 V C 2.381 178.536 176.094 0.102 0.000 1.047 480 V CA 1.736 64.138 62.300 0.170 0.000 1.015 480 V CB -1.332 30.642 31.823 0.253 0.000 0.642 480 V HN -0.051 nan 8.190 nan 0.000 0.446 481 F N 1.255 121.211 119.950 0.010 0.000 2.171 481 F HA -0.079 4.449 4.527 0.000 0.000 0.300 481 F C 2.214 178.019 175.800 0.009 0.000 1.090 481 F CA 1.607 59.594 58.000 -0.020 0.000 1.293 481 F CB -0.616 38.374 39.000 -0.016 0.000 1.013 481 F HN 0.184 nan 8.300 nan 0.000 0.486 482 G N -0.511 108.439 108.800 0.250 0.000 2.459 482 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 482 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 482 G C 1.913 176.868 174.900 0.093 0.000 1.183 482 G CA 0.764 45.965 45.100 0.168 0.000 0.776 482 G HN 0.543 nan 8.290 nan 0.000 0.552 483 G N 0.618 109.452 108.800 0.056 0.000 2.422 483 G HA2 -0.095 3.865 3.960 0.000 0.000 0.218 483 G HA3 -0.095 3.865 3.960 0.000 0.000 0.218 483 G C 1.762 176.660 174.900 -0.003 0.000 1.140 483 G CA 0.598 45.712 45.100 0.023 0.000 0.775 483 G HN 0.443 nan 8.290 nan 0.000 0.545 484 I N -0.207 120.336 120.570 -0.044 0.000 2.394 484 I HA -0.079 4.091 4.170 0.000 0.000 0.251 484 I C 2.452 178.583 176.117 0.023 0.000 1.136 484 I CA 0.264 61.528 61.300 -0.061 0.000 1.425 484 I CB 0.020 37.899 38.000 -0.200 0.000 1.079 484 I HN 0.104 nan 8.210 nan 0.000 0.425 485 L N -0.144 121.087 121.223 0.014 0.000 2.072 485 L HA -0.125 4.215 4.340 0.000 0.000 0.205 485 L C 2.659 179.580 176.870 0.083 0.000 1.079 485 L CA 1.681 56.564 54.840 0.072 0.000 0.752 485 L CB -0.823 41.325 42.059 0.149 0.000 0.906 485 L HN 0.141 nan 8.230 nan 0.000 0.436 486 S N -1.043 114.701 115.700 0.072 0.000 2.423 486 S HA -0.138 4.332 4.470 0.000 0.000 0.231 486 S C 1.963 176.607 174.600 0.074 0.000 1.014 486 S CA 1.046 59.283 58.200 0.062 0.000 0.965 486 S CB -0.258 62.970 63.200 0.046 0.000 0.785 486 S HN 0.312 nan 8.310 nan 0.000 0.495 487 L N 1.459 122.741 121.223 0.099 0.000 2.109 487 L HA 0.256 4.596 4.340 0.000 0.000 0.207 487 L C 1.929 178.969 176.870 0.282 0.000 1.086 487 L CA 1.563 56.499 54.840 0.160 0.000 0.760 487 L CB -0.647 41.482 42.059 0.116 0.000 0.910 487 L HN 0.387 nan 8.230 nan 0.000 0.437 488 I N -0.334 120.372 120.570 0.227 0.000 2.394 488 I HA -0.230 3.940 4.170 0.000 0.000 0.251 488 I C 1.908 178.106 176.117 0.134 0.000 1.136 488 I CA 0.632 62.029 61.300 0.161 0.000 1.425 488 I CB -0.408 37.618 38.000 0.044 0.000 1.079 488 I HN 0.332 nan 8.210 nan 0.000 0.425 489 N N 0.840 119.590 118.700 0.084 0.000 2.223 489 N HA -0.187 4.553 4.740 0.000 0.000 0.185 489 N C 1.709 177.214 175.510 -0.008 0.000 1.016 489 N CA 1.154 54.206 53.050 0.005 0.000 0.863 489 N CB -0.122 38.325 38.487 -0.067 0.000 0.983 489 N HN 0.393 nan 8.380 nan 0.000 0.429 490 E N -0.439 119.789 120.200 0.046 0.000 2.106 490 E HA -0.152 4.198 4.350 0.000 0.000 0.192 490 E C 1.336 177.918 176.600 -0.030 0.000 0.984 490 E CA 0.904 57.300 56.400 -0.007 0.000 0.806 490 E CB -0.121 29.567 29.700 -0.019 0.000 0.750 490 E HN 0.549 nan 8.360 nan 0.000 0.458 491 H N -0.178 118.901 119.070 0.015 0.000 2.495 491 H HA 0.045 4.601 4.556 0.000 0.000 0.287 491 H C 1.997 177.325 175.328 0.000 0.000 1.033 491 H CA 0.943 57.001 56.048 0.016 0.000 1.307 491 H CB 0.192 29.967 29.762 0.022 0.000 1.401 491 H HN -0.004 nan 8.280 nan 0.000 0.555 492 R N 0.084 120.645 120.500 0.101 0.000 2.066 492 R HA 0.034 4.374 4.340 0.000 0.000 0.224 492 R C 2.253 178.563 176.300 0.016 0.000 1.122 492 R CA 1.356 57.487 56.100 0.052 0.000 0.974 492 R CB -0.049 30.276 30.300 0.041 0.000 0.871 492 R HN 0.413 nan 8.270 nan 0.000 0.435 493 I N -1.325 119.235 120.570 -0.017 0.000 2.617 493 I HA -0.086 4.084 4.170 0.000 0.000 0.256 493 I C 1.676 177.782 176.117 -0.018 0.000 1.167 493 I CA 1.204 62.485 61.300 -0.032 0.000 1.469 493 I CB -0.121 37.828 38.000 -0.084 0.000 1.098 493 I HN 0.071 nan 8.210 nan 0.000 0.436 494 L N 0.860 122.067 121.223 -0.026 0.000 2.109 494 L HA -0.051 4.289 4.340 0.000 0.000 0.207 494 L C 2.063 178.926 176.870 -0.011 0.000 1.086 494 L CA 0.612 55.435 54.840 -0.028 0.000 0.760 494 L CB -0.363 41.658 42.059 -0.064 0.000 0.910 494 L HN 0.333 nan 8.230 nan 0.000 0.437 495 S N -0.626 115.075 115.700 0.001 0.000 2.602 495 S HA 0.143 4.613 4.470 0.000 0.000 0.257 495 S C 1.170 175.777 174.600 0.011 0.000 1.250 495 S CA 0.051 58.259 58.200 0.013 0.000 0.986 495 S CB 1.015 64.232 63.200 0.028 0.000 1.040 495 S HN 0.294 nan 8.310 nan 0.000 0.562 496 G N 0.132 108.941 108.800 0.014 0.000 3.181 496 G HA2 0.208 4.168 3.960 0.000 0.000 0.219 496 G HA3 0.208 4.168 3.960 0.000 0.000 0.219 496 G C 0.316 175.225 174.900 0.015 0.000 1.182 496 G CA -0.114 44.994 45.100 0.013 0.000 0.791 496 G HN 0.475 nan 8.290 nan 0.000 0.537 497 R N 0.439 120.951 120.500 0.020 0.000 2.643 497 R HA 0.458 4.798 4.340 0.000 0.000 0.272 497 R C -2.345 173.969 176.300 0.023 0.000 0.995 497 R CA -1.651 54.465 56.100 0.027 0.000 1.032 497 R CB 1.373 31.699 30.300 0.043 0.000 1.126 497 R HN 0.021 nan 8.270 nan 0.000 0.505 498 P HA 0.250 nan 4.420 nan 0.000 0.279 498 P C -2.632 174.722 177.300 0.089 0.000 1.252 498 P CA -1.737 61.392 63.100 0.049 0.000 0.811 498 P CB 0.406 32.080 31.700 -0.043 0.000 1.035 499 P HA 0.145 nan 4.420 nan 0.000 0.271 499 P C 1.187 178.570 177.300 0.138 0.000 1.244 499 P CA -0.113 63.023 63.100 0.059 0.000 0.793 499 P CB 0.413 32.112 31.700 -0.001 0.000 0.984 500 L N -0.110 121.168 121.223 0.092 0.000 2.201 500 L HA -0.047 4.293 4.340 0.000 0.000 0.212 500 L C 1.784 178.732 176.870 0.130 0.000 1.105 500 L CA 1.461 56.378 54.840 0.128 0.000 0.775 500 L CB -1.179 40.943 42.059 0.105 0.000 0.913 500 L HN 0.742 nan 8.230 nan 0.000 0.440 501 G N 0.360 109.180 108.800 0.033 0.000 2.614 501 G HA2 -0.418 3.542 3.960 0.000 0.000 0.303 501 G HA3 -0.418 3.542 3.960 0.000 0.000 0.303 501 G C -0.065 174.917 174.900 0.137 0.000 1.270 501 G CA 0.306 45.378 45.100 -0.046 0.000 0.988 501 G HN 0.162 nan 8.290 nan 0.000 0.551 502 F N 1.848 121.809 119.950 0.018 0.000 2.502 502 F HA 0.430 4.957 4.527 0.000 0.000 0.361 502 F C 1.386 177.227 175.800 0.069 0.000 1.157 502 F CA -0.437 57.600 58.000 0.061 0.000 1.096 502 F CB 0.517 39.572 39.000 0.092 0.000 1.141 502 F HN 0.525 nan 8.300 nan 0.000 0.579 503 L N 5.817 127.007 121.223 -0.055 0.000 2.313 503 L HA -0.030 4.311 4.340 0.000 0.000 0.214 503 L C 1.724 178.393 176.870 -0.335 0.000 1.119 503 L CA 1.439 56.207 54.840 -0.120 0.000 0.809 503 L CB -0.925 41.154 42.059 0.035 0.000 0.933 503 L HN 0.671 nan 8.230 nan 0.000 0.449 504 N N 0.002 118.297 118.700 -0.674 0.000 2.120 504 N HA -0.136 4.604 4.740 0.000 0.000 0.188 504 N C -0.981 174.184 175.510 -0.575 0.000 1.024 504 N CA 1.368 54.089 53.050 -0.548 0.000 0.852 504 N CB -0.785 37.275 38.487 -0.711 0.000 1.003 504 N HN 0.354 nan 8.380 nan 0.000 0.424 505 P HA -0.148 nan 4.420 nan 0.000 0.216 505 P C 1.239 178.422 177.300 -0.195 0.000 1.153 505 P CA 1.090 63.927 63.100 -0.438 0.000 0.848 505 P CB 0.016 31.509 31.700 -0.346 0.000 0.787 506 R N -0.347 120.031 120.500 -0.203 0.000 2.081 506 R HA -0.146 4.194 4.340 0.000 0.000 0.235 506 R C 2.137 178.338 176.300 -0.166 0.000 1.131 506 R CA 1.274 57.276 56.100 -0.163 0.000 0.960 506 R CB -1.099 29.128 30.300 -0.123 0.000 0.856 506 R HN 0.083 nan 8.270 nan 0.000 0.436 507 L N 0.191 121.327 121.223 -0.144 0.000 1.989 507 L HA -0.206 4.134 4.340 0.000 0.000 0.211 507 L C 1.786 178.448 176.870 -0.346 0.000 1.071 507 L CA 1.850 56.566 54.840 -0.207 0.000 0.749 507 L CB -0.757 41.235 42.059 -0.111 0.000 0.890 507 L HN 0.191 nan 8.230 nan 0.000 0.431 508 Y N -0.343 119.851 120.300 -0.177 0.000 2.263 508 Y HA -0.232 4.318 4.550 0.000 0.000 0.292 508 Y C 2.817 178.651 175.900 -0.110 0.000 1.130 508 Y CA 1.675 59.774 58.100 -0.001 0.000 1.179 508 Y CB -0.336 38.286 38.460 0.270 0.000 0.998 508 Y HN 0.435 nan 8.280 nan 0.000 0.532 509 Q N 0.694 120.484 119.800 -0.017 0.000 2.135 509 Q HA -0.256 4.084 4.340 0.000 0.000 0.204 509 Q C 1.147 176.891 176.000 -0.428 0.000 0.981 509 Q CA 1.772 57.490 55.803 -0.142 0.000 0.856 509 Q CB -0.151 28.503 28.738 -0.139 0.000 0.902 509 Q HN 0.515 nan 8.270 nan 0.000 0.425 510 Q N -0.373 119.166 119.800 -0.434 0.000 2.228 510 Q HA 0.049 4.389 4.340 0.000 0.000 0.211 510 Q C -0.963 174.702 176.000 -0.557 0.000 0.890 510 Q CA 0.015 55.516 55.803 -0.504 0.000 0.953 510 Q CB 0.115 28.651 28.738 -0.336 0.000 1.053 510 Q HN 0.547 nan 8.270 nan 0.000 0.471 511 H N -1.165 117.616 119.070 -0.481 0.000 2.655 511 H HA -0.240 4.316 4.556 0.000 0.000 0.313 511 H C 1.184 175.756 175.328 -1.260 0.000 1.141 511 H CA -0.014 55.582 56.048 -0.754 0.000 1.138 511 H CB -1.680 27.919 29.762 -0.273 0.000 1.446 511 H HN 0.658 nan 8.280 nan 0.000 0.415 512 G N -1.162 106.700 108.800 -1.564 0.000 2.196 512 G HA2 -0.312 3.648 3.960 0.000 0.000 0.268 512 G HA3 -0.312 3.648 3.960 0.000 0.000 0.268 512 G C 0.712 175.330 174.900 -0.470 0.000 0.975 512 G CA 0.331 44.638 45.100 -1.321 0.000 0.648 512 G HN 1.363 nan 8.290 nan 0.000 0.538 513 A N -0.527 122.072 122.820 -0.368 0.000 2.598 513 A HA 0.539 4.859 4.320 0.000 0.000 0.239 513 A C 2.057 179.562 177.584 -0.131 0.000 1.032 513 A CA 2.327 54.257 52.037 -0.178 0.000 0.760 513 A CB -0.219 18.689 19.000 -0.153 0.000 0.946 513 A HN 2.474 nan 8.150 nan 0.000 0.512 514 G N 1.284 110.044 108.800 -0.066 0.000 2.491 514 G HA2 -0.171 3.789 3.960 0.000 0.000 0.203 514 G HA3 -0.171 3.789 3.960 0.000 0.000 0.203 514 G C 0.183 175.095 174.900 0.019 0.000 1.052 514 G CA -0.085 44.988 45.100 -0.045 0.000 0.675 514 G HN 0.932 nan 8.290 nan 0.000 0.504 515 L N 1.571 122.823 121.223 0.048 0.000 2.380 515 L HA 0.559 4.899 4.340 0.000 0.000 0.273 515 L C 0.713 177.692 176.870 0.182 0.000 1.138 515 L CA -0.902 54.024 54.840 0.143 0.000 0.832 515 L CB 0.746 42.930 42.059 0.208 0.000 1.124 515 L HN 0.255 nan 8.230 nan 0.000 0.454 516 F N 2.772 122.789 119.950 0.111 0.000 2.533 516 F HA 0.008 4.535 4.527 0.000 0.000 0.378 516 F C 0.623 176.499 175.800 0.126 0.000 1.070 516 F CA -0.472 57.600 58.000 0.121 0.000 1.172 516 F CB 0.307 39.394 39.000 0.145 0.000 1.085 516 F HN 0.462 nan 8.300 nan 0.000 0.552 517 D N 6.090 126.185 120.400 -0.509 0.000 2.336 517 D HA 0.166 4.806 4.640 0.000 0.000 0.249 517 D C -0.747 175.263 176.300 -0.482 0.000 1.213 517 D CA -0.169 53.632 54.000 -0.331 0.000 0.870 517 D CB 0.821 41.498 40.800 -0.204 0.000 1.076 517 D HN 0.286 nan 8.370 nan 0.000 0.483 518 V N 4.341 124.207 119.914 -0.080 0.000 2.508 518 V HA 0.177 4.298 4.120 0.000 0.000 0.281 518 V C 1.258 177.338 176.094 -0.023 0.000 1.041 518 V CA 0.154 62.493 62.300 0.067 0.000 1.016 518 V CB 1.281 33.175 31.823 0.118 0.000 0.984 518 V HN 0.753 nan 8.190 nan 0.000 0.478 519 T N 3.544 118.107 114.554 0.014 0.000 2.958 519 T HA 0.192 4.542 4.350 0.000 0.000 0.256 519 T C 0.689 175.407 174.700 0.029 0.000 0.983 519 T CA -0.051 62.051 62.100 0.003 0.000 0.924 519 T CB 0.218 69.085 68.868 -0.002 0.000 1.136 519 T HN 0.492 nan 8.240 nan 0.000 0.506 520 R N 0.950 121.479 120.500 0.048 0.000 2.494 520 R HA 0.577 4.917 4.340 0.000 0.000 0.305 520 R C -0.481 175.835 176.300 0.027 0.000 0.959 520 R CA 0.163 56.289 56.100 0.043 0.000 0.864 520 R CB 1.161 31.499 30.300 0.063 0.000 1.159 520 R HN 0.387 nan 8.270 nan 0.000 0.446 521 G N 1.696 110.501 108.800 0.009 0.000 2.587 521 G HA2 -0.109 3.851 3.960 0.000 0.000 0.686 521 G HA3 -0.109 3.851 3.960 0.000 0.000 0.686 521 G C -1.191 173.698 174.900 -0.018 0.000 1.236 521 G CA -0.758 44.345 45.100 0.004 0.000 0.820 521 G HN 0.757 nan 8.290 nan 0.000 0.645 522 c N 1.117 119.722 118.600 0.008 0.000 2.707 522 c HA 0.930 5.500 4.570 0.000 0.000 0.313 522 c C 0.335 174.489 174.090 0.106 0.000 1.209 522 c CA -0.777 55.550 56.329 -0.003 0.000 1.635 522 c CB 1.156 43.673 42.510 0.013 0.000 2.206 522 c HN 1.220 nan 8.230 nan 0.000 0.485 523 H N -0.123 118.932 119.070 -0.025 0.000 2.500 523 H HA 0.601 5.157 4.556 0.000 0.000 0.351 523 H C -0.082 175.109 175.328 -0.227 0.000 1.281 523 H CA -0.896 55.084 56.048 -0.114 0.000 1.368 523 H CB 0.032 29.691 29.762 -0.173 0.000 1.616 523 H HN 0.785 nan 8.280 nan 0.000 0.591 524 E N 0.138 120.059 120.200 -0.464 0.000 2.349 524 E HA 0.461 4.811 4.350 0.000 0.000 0.262 524 E C -0.490 175.856 176.600 -0.424 0.000 1.088 524 E CA -0.794 55.245 56.400 -0.602 0.000 0.899 524 E CB 1.291 30.297 29.700 -1.157 0.000 1.044 524 E HN 0.515 nan 8.360 nan 0.000 0.420 525 S N 0.630 116.201 115.700 -0.214 0.000 3.287 525 S HA 0.284 4.754 4.470 0.000 0.000 0.324 525 S C -0.968 173.635 174.600 0.005 0.000 1.205 525 S CA -0.607 57.529 58.200 -0.106 0.000 1.020 525 S CB 0.346 63.542 63.200 -0.007 0.000 1.398 525 S HN 0.765 nan 8.310 nan 0.000 0.679 526 c N 2.608 121.267 118.600 0.099 0.000 2.657 526 c HA 0.323 4.893 4.570 0.000 0.000 0.420 526 c C 0.668 174.797 174.090 0.065 0.000 1.323 526 c CA -0.277 56.081 56.329 0.049 0.000 1.894 526 c CB -1.410 41.123 42.510 0.037 0.000 2.681 526 c HN 0.577 nan 8.230 nan 0.000 0.613 527 L N 4.361 125.607 121.223 0.039 0.000 2.384 527 L HA 0.230 4.570 4.340 0.000 0.000 0.258 527 L C 0.074 177.003 176.870 0.097 0.000 1.266 527 L CA 0.465 55.343 54.840 0.063 0.000 1.162 527 L CB -1.121 40.967 42.059 0.049 0.000 1.375 527 L HN 0.851 nan 8.230 nan 0.000 0.420 528 D N -1.566 118.909 120.400 0.125 0.000 2.812 528 D HA 0.151 4.791 4.640 0.000 0.000 0.318 528 D C 0.358 176.725 176.300 0.111 0.000 1.234 528 D CA -0.688 53.408 54.000 0.161 0.000 0.989 528 D CB 0.718 41.706 40.800 0.313 0.000 1.442 528 D HN 0.011 nan 8.370 nan 0.000 0.537 529 E N -0.694 119.567 120.200 0.101 0.000 2.122 529 E HA -0.042 4.308 4.350 0.000 0.000 0.190 529 E C 1.336 177.961 176.600 0.042 0.000 0.977 529 E CA 0.447 56.882 56.400 0.058 0.000 0.820 529 E CB 0.246 29.971 29.700 0.042 0.000 0.770 529 E HN 0.407 nan 8.360 nan 0.000 0.462 530 E N 0.613 120.849 120.200 0.059 0.000 2.015 530 E HA -0.063 4.287 4.350 0.000 0.000 0.191 530 E C 0.521 177.069 176.600 -0.087 0.000 0.991 530 E CA 0.872 57.273 56.400 0.001 0.000 0.802 530 E CB 0.244 29.980 29.700 0.059 0.000 0.759 530 E HN -0.013 nan 8.360 nan 0.000 0.447 531 V N 2.335 122.184 119.914 -0.110 0.000 2.225 531 V HA 0.062 4.182 4.120 0.000 0.000 0.264 531 V C -0.200 175.896 176.094 0.003 0.000 1.067 531 V CA -0.175 62.034 62.300 -0.152 0.000 0.903 531 V CB 0.792 32.358 31.823 -0.429 0.000 1.136 531 V HN 0.127 nan 8.190 nan 0.000 0.456 532 E N 3.300 123.510 120.200 0.016 0.000 1.858 532 E HA 0.333 4.684 4.350 0.000 0.000 0.278 532 E C 1.368 178.003 176.600 0.059 0.000 1.172 532 E CA 0.734 57.160 56.400 0.044 0.000 1.127 532 E CB -0.379 29.342 29.700 0.034 0.000 1.084 532 E HN 0.865 nan 8.360 nan 0.000 0.455 533 G N 3.339 112.184 108.800 0.074 0.000 2.162 533 G HA2 -0.346 3.614 3.960 0.000 0.000 0.260 533 G HA3 -0.346 3.614 3.960 0.000 0.000 0.260 533 G C 0.122 175.083 174.900 0.101 0.000 0.976 533 G CA 0.456 45.615 45.100 0.099 0.000 0.655 533 G HN 0.538 nan 8.290 nan 0.000 0.533 534 Q N -0.006 119.834 119.800 0.066 0.000 2.310 534 Q HA 0.591 4.932 4.340 0.000 0.000 0.270 534 Q C 0.905 176.911 176.000 0.010 0.000 1.025 534 Q CA -0.040 55.796 55.803 0.054 0.000 0.772 534 Q CB 1.140 29.906 28.738 0.047 0.000 1.253 534 Q HN 0.403 nan 8.270 nan 0.000 0.450 535 G N 2.177 110.947 108.800 -0.050 0.000 2.783 535 G HA2 0.251 4.211 3.960 0.000 0.000 0.182 535 G HA3 0.251 4.211 3.960 0.000 0.000 0.182 535 G C -0.497 174.295 174.900 -0.181 0.000 1.516 535 G CA -0.522 44.402 45.100 -0.293 0.000 1.079 535 G HN 0.538 nan 8.290 nan 0.000 0.573 536 F N -0.515 119.431 119.950 -0.006 0.000 2.490 536 F HA 0.395 4.922 4.527 0.000 0.000 0.336 536 F C 0.921 176.604 175.800 -0.195 0.000 1.178 536 F CA -0.491 57.462 58.000 -0.077 0.000 1.301 536 F CB 0.424 39.319 39.000 -0.175 0.000 1.175 536 F HN 0.122 nan 8.300 nan 0.000 0.593 537 c N 0.896 119.595 118.600 0.165 0.000 2.454 537 c HA 0.587 5.157 4.570 0.000 0.000 0.336 537 c C -0.028 174.085 174.090 0.039 0.000 1.189 537 c CA -1.154 55.201 56.329 0.044 0.000 1.877 537 c CB 1.229 43.785 42.510 0.076 0.000 2.348 537 c HN 0.893 nan 8.230 nan 0.000 0.508 538 S N 1.231 116.900 115.700 -0.052 0.000 2.576 538 S HA 0.712 5.183 4.470 0.000 0.000 0.276 538 S C 0.020 174.639 174.600 0.031 0.000 1.339 538 S CA 0.022 58.178 58.200 -0.074 0.000 1.039 538 S CB 1.031 64.171 63.200 -0.100 0.000 0.902 538 S HN 1.274 nan 8.310 nan 0.000 0.516 539 G N 0.876 109.696 108.800 0.034 0.000 2.827 539 G HA2 0.599 4.560 3.960 0.000 0.000 0.296 539 G HA3 0.599 4.560 3.960 0.000 0.000 0.296 539 G C -2.691 172.227 174.900 0.030 0.000 1.362 539 G CA -1.415 43.726 45.100 0.069 0.000 0.809 539 G HN 0.456 nan 8.290 nan 0.000 0.522 540 P HA -0.006 nan 4.420 nan 0.000 0.212 540 P C 1.624 178.950 177.300 0.044 0.000 1.178 540 P CA 1.845 64.963 63.100 0.030 0.000 0.915 540 P CB -0.138 31.587 31.700 0.042 0.000 0.788 541 G N -1.622 107.228 108.800 0.084 0.000 2.481 541 G HA2 0.036 3.996 3.960 0.000 0.000 0.251 541 G HA3 0.036 3.996 3.960 0.000 0.000 0.251 541 G C -0.855 174.028 174.900 -0.028 0.000 1.492 541 G CA -0.559 44.607 45.100 0.110 0.000 1.060 541 G HN 0.233 nan 8.290 nan 0.000 0.553 542 W N 1.499 122.492 121.300 -0.511 0.000 2.209 542 W HA 0.380 5.040 4.660 0.000 0.000 0.344 542 W C -0.181 176.039 176.519 -0.498 0.000 1.285 542 W CA 0.508 57.328 57.345 -0.876 0.000 1.267 542 W CB 0.403 28.907 29.460 -1.594 0.000 1.167 542 W HN 0.700 nan 8.180 nan 0.000 0.574 543 D N 3.717 123.107 120.400 -1.683 0.000 2.596 543 D HA 0.360 5.001 4.640 0.000 0.000 0.262 543 D C -2.596 172.310 176.300 -2.323 0.000 1.210 543 D CA -1.802 51.080 54.000 -1.863 0.000 0.873 543 D CB 1.752 42.047 40.800 -0.842 0.000 1.408 543 D HN 0.136 nan 8.370 nan 0.000 0.441 544 P HA 0.153 nan 4.420 nan 0.000 0.249 544 P C 0.222 177.030 177.300 -0.820 0.000 1.583 544 P CA -0.140 62.178 63.100 -1.302 0.000 0.988 544 P CB 0.352 31.270 31.700 -1.303 0.000 1.530 545 V N -0.906 118.556 119.914 -0.752 0.000 3.219 545 V HA 0.063 4.183 4.120 0.000 0.000 0.240 545 V C 1.815 177.704 176.094 -0.341 0.000 1.222 545 V CA 1.671 63.660 62.300 -0.518 0.000 1.181 545 V CB -0.291 31.204 31.823 -0.546 0.000 0.941 545 V HN 0.262 nan 8.190 nan 0.000 0.471 546 T N -3.157 111.150 114.554 -0.412 0.000 3.192 546 T HA 0.513 4.863 4.350 0.000 0.000 0.295 546 T C 1.157 175.670 174.700 -0.311 0.000 0.947 546 T CA 0.767 62.708 62.100 -0.264 0.000 0.916 546 T CB 0.849 69.620 68.868 -0.161 0.000 1.169 546 T HN 0.907 nan 8.240 nan 0.000 0.540 547 G N 1.634 110.078 108.800 -0.593 0.000 2.583 547 G HA2 -0.326 3.634 3.960 0.000 0.000 0.292 547 G HA3 -0.326 3.634 3.960 0.000 0.000 0.292 547 G C 0.386 174.940 174.900 -0.577 0.000 1.203 547 G CA 0.376 45.079 45.100 -0.661 0.000 0.987 547 G HN 0.484 nan 8.290 nan 0.000 0.554 548 W N 2.427 123.679 121.300 -0.079 0.000 3.047 548 W HA 0.420 5.080 4.660 0.000 0.000 0.250 548 W C 1.748 178.253 176.519 -0.024 0.000 1.314 548 W CA 1.361 58.690 57.345 -0.028 0.000 1.540 548 W CB 0.001 29.441 29.460 -0.034 0.000 1.127 548 W HN 1.673 nan 8.180 nan 0.000 0.679 549 G N 0.009 108.898 108.800 0.148 0.000 2.466 549 G HA2 -0.186 3.774 3.960 0.000 0.000 0.218 549 G HA3 -0.186 3.774 3.960 0.000 0.000 0.218 549 G C -0.423 174.637 174.900 0.266 0.000 1.237 549 G CA -0.356 44.848 45.100 0.174 0.000 0.954 549 G HN -0.121 nan 8.290 nan 0.000 0.580 550 T N 3.806 118.556 114.554 0.327 0.000 2.918 550 T HA 0.702 5.052 4.350 0.000 0.000 0.286 550 T C -2.524 172.265 174.700 0.148 0.000 1.026 550 T CA -0.664 61.605 62.100 0.282 0.000 1.031 550 T CB 2.324 71.402 68.868 0.349 0.000 1.046 550 T HN 0.521 nan 8.240 nan 0.000 0.479 551 P HA 0.157 nan 4.420 nan 0.000 0.274 551 P C -0.665 176.547 177.300 -0.147 0.000 1.470 551 P CA -0.297 62.597 63.100 -0.343 0.000 1.001 551 P CB -0.239 30.945 31.700 -0.860 0.000 1.332 552 N N 3.403 122.142 118.700 0.065 0.000 2.508 552 N HA 0.000 4.740 4.740 0.000 0.000 0.253 552 N C 0.871 176.430 175.510 0.083 0.000 1.145 552 N CA -0.422 52.717 53.050 0.148 0.000 0.973 552 N CB -0.045 38.543 38.487 0.167 0.000 1.305 552 N HN 0.134 nan 8.380 nan 0.000 0.506 553 F N 6.700 126.638 119.950 -0.020 0.000 2.063 553 F HA -0.107 4.420 4.527 0.000 0.000 0.298 553 F C -1.062 174.699 175.800 -0.066 0.000 1.109 553 F CA 1.540 59.497 58.000 -0.072 0.000 1.212 553 F CB -0.994 37.973 39.000 -0.054 0.000 0.973 553 F HN 0.487 nan 8.300 nan 0.000 0.480 554 P HA -0.225 nan 4.420 nan 0.000 0.215 554 P C 1.593 178.745 177.300 -0.247 0.000 1.157 554 P CA 2.728 65.692 63.100 -0.227 0.000 0.874 554 P CB -0.420 31.271 31.700 -0.015 0.000 0.790 555 A N -0.948 121.790 122.820 -0.138 0.000 1.898 555 A HA -0.148 4.172 4.320 0.000 0.000 0.216 555 A C 2.297 179.786 177.584 -0.159 0.000 1.181 555 A CA 1.228 53.200 52.037 -0.109 0.000 0.620 555 A CB -1.592 17.387 19.000 -0.035 0.000 0.819 555 A HN 0.097 nan 8.150 nan 0.000 0.442 556 L N -0.693 120.413 121.223 -0.195 0.000 1.989 556 L HA -0.186 4.154 4.340 0.000 0.000 0.211 556 L C 2.632 179.335 176.870 -0.279 0.000 1.071 556 L CA 1.417 56.132 54.840 -0.209 0.000 0.749 556 L CB -0.408 41.527 42.059 -0.206 0.000 0.890 556 L HN 0.480 nan 8.230 nan 0.000 0.431 557 L N -0.080 120.860 121.223 -0.471 0.000 1.963 557 L HA -0.372 3.968 4.340 0.000 0.000 0.220 557 L C 2.776 179.469 176.870 -0.295 0.000 1.076 557 L CA 1.906 56.442 54.840 -0.507 0.000 0.772 557 L CB -0.417 41.179 42.059 -0.771 0.000 0.892 557 L HN 0.319 nan 8.230 nan 0.000 0.435 558 K N -0.908 119.340 120.400 -0.253 0.000 2.032 558 K HA -0.270 4.050 4.320 0.000 0.000 0.218 558 K C 1.867 178.387 176.600 -0.134 0.000 1.054 558 K CA 2.669 58.859 56.287 -0.162 0.000 0.941 558 K CB -0.526 31.897 32.500 -0.128 0.000 0.720 558 K HN 0.638 nan 8.250 nan 0.000 0.449 559 T N -0.495 113.976 114.554 -0.139 0.000 2.821 559 T HA -0.080 4.270 4.350 0.000 0.000 0.267 559 T C 1.857 176.485 174.700 -0.119 0.000 1.046 559 T CA 0.912 62.936 62.100 -0.126 0.000 1.139 559 T CB -0.184 68.603 68.868 -0.134 0.000 0.871 559 T HN 0.126 nan 8.240 nan 0.000 0.454 560 L N -0.397 120.754 121.223 -0.119 0.000 2.592 560 L HA 0.421 4.761 4.340 0.000 0.000 0.227 560 L C 2.105 178.938 176.870 -0.061 0.000 1.127 560 L CA 0.215 55.005 54.840 -0.084 0.000 0.884 560 L CB -0.046 41.971 42.059 -0.071 0.000 1.065 560 L HN 0.266 nan 8.230 nan 0.000 0.457 561 L N -0.972 120.202 121.223 -0.081 0.000 2.638 561 L HA 0.166 4.506 4.340 0.000 0.000 0.232 561 L C 0.453 177.295 176.870 -0.047 0.000 1.099 561 L CA -0.179 54.629 54.840 -0.053 0.000 0.883 561 L CB 0.238 42.256 42.059 -0.068 0.000 1.136 561 L HN 0.251 nan 8.230 nan 0.000 0.492 562 N N 0.925 119.586 118.700 -0.066 0.000 2.283 562 N HA -0.086 4.654 4.740 0.000 0.000 0.236 562 N C -1.579 173.902 175.510 -0.048 0.000 1.252 562 N CA -0.631 52.382 53.050 -0.061 0.000 0.856 562 N CB 0.242 38.682 38.487 -0.078 0.000 1.099 562 N HN -0.083 nan 8.380 nan 0.000 0.444 563 P HA -0.143 nan 4.420 nan 0.000 0.215 563 P C 0.050 177.319 177.300 -0.051 0.000 1.163 563 P CA 1.570 64.651 63.100 -0.032 0.000 0.894 563 P CB 0.296 31.976 31.700 -0.033 0.000 0.791 564 R N 0.000 120.452 120.500 -0.081 0.000 2.786 564 R HA 0.000 4.340 4.340 0.000 0.000 0.208 564 R CA 0.000 56.022 56.100 -0.129 0.000 0.921 564 R CB 0.000 30.210 30.300 -0.150 0.000 0.687 564 R HN 0.000 nan 8.270 nan 0.000 0.535