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 2wdr_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLPVREFDA VVIGAGGAGM RAALQISQSG QTCALLSKVF PTRSHTVSAQ DATA SEQUENCE GGITVALGNT HEDNWEWHMY DTVKGSDYIG DQDAIEYMCK TGPEAILELE DATA SEQUENCE HMGLPFSRLD DGRIYQRPFG GQSKNFGGEQ AARTAAAADR TGHALLHTLY DATA SEQUENCE QQNLKNHTTI FSEWYALDLV KNQDGAVVGC TALCIETGEV VYFKARATVL DATA SEQUENCE ATGGAGRIYQ STTNAHINTG DGVGMAIRAG VPVQDMEMWQ FHPTGIAGAG DATA SEQUENCE VLVTEGCRGE GGYLLNKHGE RFMERYAPNA KDLAGRDVVA RSIMIEIREG DATA SEQUENCE RGCDGPWGPH AKLKLDHLGK EVLESRLPGI LELSRTFAHV DPVKEPIPVI DATA SEQUENCE PTCHYMMGGI PTKVTGQALT VNEKGEDVVV PGLFAVGEIA CVSVHGANRL DATA SEQUENCE GGNSLLDLVV FGRAAGLHLQ ESIAEQGALR DASESDVEAS LDRLNRWNNN DATA SEQUENCE RNGEDPVAIR KALQECMQHN FSVFREGDAM AKGLEQLKVI RERLKNARLD DATA SEQUENCE DTSSEFNTQR VECLELDNLM ETAYATAVSA NFRTESRGAH SRFDFPDRDD DATA SEQUENCE ENWLCHSLYL PESESMTRRS VNMEPKLRPA FPPKIRTY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.318 55.300 0.030 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 K N 1.971 122.386 120.400 0.025 0.000 2.537 2 K HA 0.521 4.522 4.320 -0.532 0.000 0.206 2 K C -1.211 175.408 176.600 0.032 0.000 1.041 2 K CA -0.023 56.278 56.287 0.024 0.000 1.090 2 K CB 0.519 33.029 32.500 0.018 0.000 0.833 2 K HN 0.693 nan 8.250 nan 0.000 0.493 3 L N 1.117 122.366 121.223 0.043 0.000 2.455 3 L HA 0.450 4.471 4.340 -0.532 0.000 0.264 3 L C -2.623 174.281 176.870 0.058 0.000 0.968 3 L CA -1.739 53.135 54.840 0.057 0.000 0.827 3 L CB 2.106 44.208 42.059 0.071 0.000 1.317 3 L HN -0.096 nan 8.230 nan 0.000 0.407 4 P HA 0.134 nan 4.420 nan 0.000 0.265 4 P C -1.226 176.058 177.300 -0.026 0.000 1.193 4 P CA -0.078 63.027 63.100 0.008 0.000 0.765 4 P CB 0.559 32.266 31.700 0.011 0.000 0.823 5 V N 5.236 125.109 119.914 -0.069 0.000 2.384 5 V HA 0.366 4.166 4.120 -0.532 0.000 0.287 5 V C 0.492 176.421 176.094 -0.275 0.000 1.020 5 V CA -0.494 61.709 62.300 -0.161 0.000 0.850 5 V CB 1.218 32.985 31.823 -0.094 0.000 0.987 5 V HN 0.428 nan 8.190 nan 0.000 0.436 6 R N 3.301 123.541 120.500 -0.432 0.000 2.288 6 R HA 0.470 4.491 4.340 -0.532 0.000 0.326 6 R C -0.414 175.660 176.300 -0.376 0.000 0.959 6 R CA -0.451 55.398 56.100 -0.418 0.000 0.834 6 R CB 2.030 32.019 30.300 -0.518 0.000 1.157 6 R HN 0.780 nan 8.270 nan 0.000 0.470 7 E N 3.488 123.391 120.200 -0.495 0.000 2.191 7 E HA 0.419 4.449 4.350 -0.532 0.000 0.278 7 E C -1.189 175.020 176.600 -0.651 0.000 0.972 7 E CA -0.425 55.734 56.400 -0.402 0.000 0.804 7 E CB 0.799 30.323 29.700 -0.294 0.000 1.110 7 E HN 0.286 nan 8.360 nan 0.000 0.394 8 F N 1.446 121.358 119.950 -0.064 0.000 2.662 8 F HA 0.213 4.421 4.527 -0.532 0.000 0.312 8 F C 0.824 176.602 175.800 -0.038 0.000 1.113 8 F CA -0.849 57.131 58.000 -0.033 0.000 0.951 8 F CB 1.496 40.488 39.000 -0.014 0.000 1.344 8 F HN 0.416 nan 8.300 nan 0.000 0.462 9 D N 0.648 121.152 120.400 0.172 0.000 2.084 9 D HA 0.102 4.422 4.640 -0.532 0.000 0.196 9 D C 0.334 176.663 176.300 0.050 0.000 0.985 9 D CA 1.381 55.425 54.000 0.073 0.000 0.826 9 D CB 0.062 40.887 40.800 0.042 0.000 0.978 9 D HN 0.423 nan 8.370 nan 0.000 0.456 10 A N 0.044 122.888 122.820 0.040 0.000 2.386 10 A HA 0.583 4.584 4.320 -0.532 0.000 0.311 10 A C -0.929 176.609 177.584 -0.077 0.000 1.068 10 A CA -0.510 51.498 52.037 -0.047 0.000 0.743 10 A CB 2.134 21.062 19.000 -0.120 0.000 1.258 10 A HN -0.073 nan 8.150 nan 0.000 0.429 11 V N 2.468 122.316 119.914 -0.109 0.000 2.409 11 V HA 0.378 4.178 4.120 -0.532 0.000 0.291 11 V C -0.520 175.453 176.094 -0.202 0.000 1.020 11 V CA -0.472 61.698 62.300 -0.216 0.000 0.848 11 V CB 1.587 33.300 31.823 -0.183 0.000 0.990 11 V HN 0.640 nan 8.190 nan 0.000 0.430 12 V N 6.750 126.524 119.914 -0.235 0.000 2.318 12 V HA 0.399 4.200 4.120 -0.532 0.000 0.271 12 V C 0.201 176.181 176.094 -0.190 0.000 1.030 12 V CA -0.306 61.889 62.300 -0.174 0.000 0.844 12 V CB 1.295 33.032 31.823 -0.143 0.000 1.015 12 V HN 0.674 nan 8.190 nan 0.000 0.460 13 I N 5.393 125.867 120.570 -0.160 0.000 2.311 13 I HA 0.581 4.432 4.170 -0.532 0.000 0.297 13 I C 0.897 176.940 176.117 -0.123 0.000 1.131 13 I CA 0.342 61.541 61.300 -0.168 0.000 1.289 13 I CB 0.233 38.144 38.000 -0.150 0.000 1.446 13 I HN 0.831 nan 8.210 nan 0.000 0.524 14 G N 4.471 113.201 108.800 -0.117 0.000 2.931 14 G HA2 0.215 3.856 3.960 -0.532 0.000 0.675 14 G HA3 0.215 3.856 3.960 -0.532 0.000 0.675 14 G C -0.590 174.266 174.900 -0.073 0.000 1.339 14 G CA -0.335 44.715 45.100 -0.082 0.000 0.866 14 G HN 0.762 nan 8.290 nan 0.000 0.616 15 A N 1.093 123.874 122.820 -0.066 0.000 2.812 15 A HA 0.812 4.813 4.320 -0.532 0.000 0.294 15 A C 1.162 178.702 177.584 -0.073 0.000 1.014 15 A CA 1.076 53.070 52.037 -0.072 0.000 1.024 15 A CB -0.093 18.854 19.000 -0.089 0.000 1.162 15 A HN 2.061 nan 8.150 nan 0.000 0.511 16 G N -0.663 108.107 108.800 -0.050 0.000 2.574 16 G HA2 0.438 4.079 3.960 -0.532 0.000 0.248 16 G HA3 0.438 4.079 3.960 -0.532 0.000 0.248 16 G C 1.157 176.037 174.900 -0.032 0.000 1.422 16 G CA 0.201 45.275 45.100 -0.042 0.000 1.051 16 G HN 0.569 nan 8.290 nan 0.000 0.560 17 G N 0.165 108.955 108.800 -0.016 0.000 2.586 17 G HA2 -0.056 3.585 3.960 -0.532 0.000 0.218 17 G HA3 -0.056 3.585 3.960 -0.532 0.000 0.218 17 G C 2.017 176.924 174.900 0.010 0.000 1.216 17 G CA 2.430 47.529 45.100 -0.003 0.000 0.786 17 G HN 0.987 nan 8.290 nan 0.000 0.583 18 A N 0.651 123.489 122.820 0.030 0.000 1.877 18 A HA 0.175 4.176 4.320 -0.532 0.000 0.216 18 A C 2.782 180.377 177.584 0.017 0.000 1.186 18 A CA 2.253 54.318 52.037 0.046 0.000 0.620 18 A CB -1.253 17.790 19.000 0.072 0.000 0.822 18 A HN 0.702 nan 8.150 nan 0.000 0.443 19 G N -0.751 108.047 108.800 -0.004 0.000 2.440 19 G HA2 -0.259 3.382 3.960 -0.532 0.000 0.218 19 G HA3 -0.259 3.382 3.960 -0.532 0.000 0.218 19 G C 1.653 176.530 174.900 -0.039 0.000 1.154 19 G CA 1.264 46.347 45.100 -0.029 0.000 0.767 19 G HN 0.446 nan 8.290 nan 0.000 0.552 20 M N -0.497 119.082 119.600 -0.035 0.000 2.229 20 M HA 0.029 4.190 4.480 -0.532 0.000 0.264 20 M C 2.598 178.877 176.300 -0.035 0.000 1.063 20 M CA 1.127 56.405 55.300 -0.037 0.000 1.114 20 M CB -0.072 32.510 32.600 -0.030 0.000 1.387 20 M HN 0.178 nan 8.290 nan 0.000 0.420 21 R N 0.850 121.336 120.500 -0.022 0.000 2.075 21 R HA -0.008 4.013 4.340 -0.532 0.000 0.232 21 R C 2.019 178.305 176.300 -0.024 0.000 1.126 21 R CA 1.895 57.983 56.100 -0.019 0.000 0.963 21 R CB -0.632 29.667 30.300 -0.003 0.000 0.858 21 R HN 0.297 nan 8.270 nan 0.000 0.435 22 A N 0.348 123.157 122.820 -0.019 0.000 1.898 22 A HA -0.009 3.992 4.320 -0.532 0.000 0.216 22 A C 2.374 179.925 177.584 -0.054 0.000 1.181 22 A CA 1.677 53.696 52.037 -0.030 0.000 0.620 22 A CB -1.110 17.876 19.000 -0.024 0.000 0.819 22 A HN 0.479 nan 8.150 nan 0.000 0.442 23 A N -0.389 122.395 122.820 -0.060 0.000 1.865 23 A HA -0.113 3.888 4.320 -0.532 0.000 0.217 23 A C 2.123 179.670 177.584 -0.062 0.000 1.191 23 A CA 1.875 53.868 52.037 -0.072 0.000 0.623 23 A CB -0.786 18.169 19.000 -0.075 0.000 0.826 23 A HN 0.607 nan 8.150 nan 0.000 0.444 24 L N -0.485 120.704 121.223 -0.057 0.000 2.013 24 L HA -0.231 3.790 4.340 -0.532 0.000 0.212 24 L C 2.569 179.409 176.870 -0.050 0.000 1.073 24 L CA 2.797 57.604 54.840 -0.055 0.000 0.753 24 L CB -0.843 41.185 42.059 -0.053 0.000 0.890 24 L HN 0.582 nan 8.230 nan 0.000 0.432 25 Q N -0.256 119.515 119.800 -0.049 0.000 1.990 25 Q HA -0.153 3.868 4.340 -0.532 0.000 0.200 25 Q C 2.167 178.134 176.000 -0.054 0.000 0.980 25 Q CA 2.162 57.935 55.803 -0.050 0.000 0.832 25 Q CB -0.469 28.241 28.738 -0.047 0.000 0.897 25 Q HN 0.599 nan 8.270 nan 0.000 0.427 26 I N 0.231 120.764 120.570 -0.061 0.000 2.185 26 I HA -0.347 3.503 4.170 -0.532 0.000 0.246 26 I C 2.500 178.588 176.117 -0.047 0.000 1.088 26 I CA 1.567 62.827 61.300 -0.066 0.000 1.347 26 I CB -0.588 37.361 38.000 -0.084 0.000 1.041 26 I HN 0.292 nan 8.210 nan 0.000 0.415 27 S N 0.338 116.013 115.700 -0.041 0.000 2.345 27 S HA -0.231 3.920 4.470 -0.532 0.000 0.220 27 S C 1.958 176.545 174.600 -0.021 0.000 1.031 27 S CA 1.376 59.561 58.200 -0.025 0.000 0.996 27 S CB -0.207 62.978 63.200 -0.025 0.000 0.882 27 S HN 0.457 nan 8.310 nan 0.000 0.445 28 Q N 0.533 120.316 119.800 -0.029 0.000 2.439 28 Q HA 0.069 4.090 4.340 -0.532 0.000 0.211 28 Q C 1.370 177.353 176.000 -0.027 0.000 0.978 28 Q CA 1.033 56.820 55.803 -0.027 0.000 0.897 28 Q CB -0.074 28.644 28.738 -0.033 0.000 0.956 28 Q HN 0.410 nan 8.270 nan 0.000 0.483 29 S N -1.093 114.589 115.700 -0.031 0.000 2.660 29 S HA 0.231 4.382 4.470 -0.532 0.000 0.227 29 S C 1.090 175.677 174.600 -0.022 0.000 0.948 29 S CA 0.393 58.574 58.200 -0.032 0.000 0.948 29 S CB 0.648 63.822 63.200 -0.043 0.000 0.779 29 S HN 0.656 nan 8.310 nan 0.000 0.487 30 G N 1.004 109.796 108.800 -0.014 0.000 2.284 30 G HA2 -0.246 3.395 3.960 -0.532 0.000 0.230 30 G HA3 -0.246 3.395 3.960 -0.532 0.000 0.230 30 G C 0.037 174.937 174.900 -0.000 0.000 1.021 30 G CA -0.349 44.747 45.100 -0.006 0.000 0.619 30 G HN 0.495 nan 8.290 nan 0.000 0.510 31 Q N 1.627 121.424 119.800 -0.004 0.000 2.312 31 Q HA 0.550 4.571 4.340 -0.532 0.000 0.236 31 Q C 0.892 176.910 176.000 0.029 0.000 0.965 31 Q CA 0.448 56.255 55.803 0.007 0.000 0.894 31 Q CB 0.882 29.616 28.738 -0.007 0.000 1.225 31 Q HN 0.512 nan 8.270 nan 0.000 0.478 32 T N -2.042 112.549 114.554 0.062 0.000 2.868 32 T HA 0.439 4.470 4.350 -0.532 0.000 0.292 32 T C -0.254 174.533 174.700 0.145 0.000 1.028 32 T CA -0.836 61.346 62.100 0.135 0.000 1.059 32 T CB 0.878 69.862 68.868 0.193 0.000 0.991 32 T HN 0.668 nan 8.240 nan 0.000 0.531 33 C N 1.653 121.041 119.300 0.147 0.000 3.046 33 C HA 0.703 4.843 4.460 -0.532 0.000 0.388 33 C C -0.671 174.167 174.990 -0.254 0.000 1.041 33 C CA -0.392 58.600 59.018 -0.043 0.000 1.241 33 C CB 0.040 27.745 27.740 -0.058 0.000 1.638 33 C HN 1.326 nan 8.230 nan 0.000 0.539 34 A N 4.993 127.465 122.820 -0.580 0.000 2.271 34 A HA 0.716 4.717 4.320 -0.532 0.000 0.317 34 A C -1.006 176.346 177.584 -0.386 0.000 1.245 34 A CA -0.407 51.213 52.037 -0.695 0.000 0.857 34 A CB 0.862 19.019 19.000 -1.405 0.000 1.175 34 A HN 1.187 nan 8.150 nan 0.000 0.512 35 L N 3.891 124.995 121.223 -0.198 0.000 2.264 35 L HA 0.552 4.572 4.340 -0.532 0.000 0.287 35 L C -1.003 175.782 176.870 -0.141 0.000 1.039 35 L CA -0.265 54.477 54.840 -0.162 0.000 0.829 35 L CB 0.457 42.456 42.059 -0.099 0.000 1.211 35 L HN 0.593 nan 8.230 nan 0.000 0.427 36 L N 3.914 124.992 121.223 -0.242 0.000 2.357 36 L HA 0.710 4.730 4.340 -0.532 0.000 0.273 36 L C 0.189 177.003 176.870 -0.094 0.000 1.080 36 L CA 0.301 55.012 54.840 -0.216 0.000 0.803 36 L CB 1.699 43.513 42.059 -0.408 0.000 1.174 36 L HN 0.704 nan 8.230 nan 0.000 0.443 37 S N 0.507 116.212 115.700 0.008 0.000 2.563 37 S HA 0.308 4.458 4.470 -0.532 0.000 0.279 37 S C 0.188 174.846 174.600 0.096 0.000 1.155 37 S CA -0.744 57.467 58.200 0.018 0.000 0.928 37 S CB 0.922 64.116 63.200 -0.011 0.000 1.107 37 S HN 0.710 nan 8.310 nan 0.000 0.462 38 K N 2.191 122.637 120.400 0.076 0.000 2.486 38 K HA 0.195 4.196 4.320 -0.532 0.000 0.194 38 K C 0.693 177.371 176.600 0.130 0.000 1.033 38 K CA 0.691 57.059 56.287 0.134 0.000 1.004 38 K CB -0.291 32.320 32.500 0.185 0.000 0.798 38 K HN 0.496 nan 8.250 nan 0.000 0.495 39 V N -2.573 117.411 119.914 0.116 0.000 3.141 39 V HA 0.472 4.273 4.120 -0.532 0.000 0.312 39 V C -0.449 175.741 176.094 0.161 0.000 1.157 39 V CA -1.525 60.864 62.300 0.149 0.000 1.041 39 V CB 1.017 32.917 31.823 0.128 0.000 1.071 39 V HN 0.075 nan 8.190 nan 0.000 0.441 40 F N 3.394 123.370 119.950 0.042 0.000 2.608 40 F HA 0.370 4.577 4.527 -0.532 0.000 0.380 40 F C -1.447 174.300 175.800 -0.089 0.000 1.083 40 F CA -1.215 56.779 58.000 -0.011 0.000 1.266 40 F CB 0.989 39.972 39.000 -0.028 0.000 1.076 40 F HN 0.440 nan 8.300 nan 0.000 0.574 41 P HA -0.272 nan 4.420 nan 0.000 0.220 41 P C 1.388 178.396 177.300 -0.487 0.000 1.155 41 P CA 2.985 65.754 63.100 -0.552 0.000 0.880 41 P CB -0.280 31.030 31.700 -0.649 0.000 0.790 42 T N -4.076 110.087 114.554 -0.652 0.000 3.160 42 T HA 0.051 4.082 4.350 -0.532 0.000 0.257 42 T C 1.262 175.858 174.700 -0.173 0.000 1.147 42 T CA 0.184 62.005 62.100 -0.465 0.000 1.064 42 T CB -0.505 68.004 68.868 -0.598 0.000 0.949 42 T HN 0.080 nan 8.240 nan 0.000 0.526 43 R N 1.176 121.651 120.500 -0.043 0.000 2.334 43 R HA 0.313 4.334 4.340 -0.532 0.000 0.216 43 R C 0.448 176.767 176.300 0.032 0.000 0.905 43 R CA -0.093 56.035 56.100 0.046 0.000 1.064 43 R CB -0.087 30.285 30.300 0.120 0.000 1.046 43 R HN 0.332 nan 8.270 nan 0.000 0.508 44 S N 0.990 116.678 115.700 -0.020 0.000 2.576 44 S HA -0.046 4.105 4.470 -0.532 0.000 0.272 44 S C 1.115 175.745 174.600 0.049 0.000 1.352 44 S CA -0.269 57.938 58.200 0.012 0.000 1.021 44 S CB 0.724 63.906 63.200 -0.030 0.000 0.887 44 S HN 0.377 nan 8.310 nan 0.000 0.542 45 H N 1.813 120.876 119.070 -0.012 0.000 2.457 45 H HA -0.084 4.152 4.556 -0.533 0.000 0.297 45 H C 1.866 177.194 175.328 0.001 0.000 1.092 45 H CA 2.259 58.304 56.048 -0.005 0.000 1.309 45 H CB -0.587 29.166 29.762 -0.015 0.000 1.382 45 H HN 0.613 nan 8.280 nan 0.000 0.535 46 T N -0.565 113.957 114.554 -0.052 0.000 2.802 46 T HA -0.197 3.834 4.350 -0.532 0.000 0.269 46 T C 2.160 176.791 174.700 -0.116 0.000 1.062 46 T CA 1.209 63.255 62.100 -0.089 0.000 1.133 46 T CB -0.669 68.174 68.868 -0.042 0.000 0.852 46 T HN 0.271 nan 8.240 nan 0.000 0.485 47 V N 1.070 120.925 119.914 -0.099 0.000 2.594 47 V HA -0.131 3.670 4.120 -0.532 0.000 0.253 47 V C 2.099 178.184 176.094 -0.015 0.000 1.069 47 V CA 1.902 64.183 62.300 -0.030 0.000 1.082 47 V CB -0.398 31.427 31.823 0.002 0.000 0.680 47 V HN 0.437 nan 8.190 nan 0.000 0.469 48 S N 0.230 115.836 115.700 -0.158 0.000 2.593 48 S HA 0.389 4.540 4.470 -0.532 0.000 0.217 48 S C 0.865 175.383 174.600 -0.137 0.000 0.966 48 S CA 0.359 58.463 58.200 -0.160 0.000 0.914 48 S CB -0.116 62.926 63.200 -0.263 0.000 0.776 48 S HN 0.712 nan 8.310 nan 0.000 0.523 49 A N 1.366 124.111 122.820 -0.125 0.000 2.462 49 A HA 0.312 4.313 4.320 -0.532 0.000 0.243 49 A C 0.828 178.429 177.584 0.027 0.000 1.076 49 A CA -0.069 51.950 52.037 -0.030 0.000 0.773 49 A CB 0.355 19.346 19.000 -0.016 0.000 1.010 49 A HN 0.477 nan 8.150 nan 0.000 0.493 50 Q N 2.090 121.931 119.800 0.069 0.000 2.618 50 Q HA 0.141 4.162 4.340 -0.532 0.000 0.209 50 Q C 2.135 178.212 176.000 0.127 0.000 0.797 50 Q CA 0.351 56.206 55.803 0.086 0.000 0.888 50 Q CB -0.243 28.543 28.738 0.079 0.000 1.244 50 Q HN 0.853 nan 8.270 nan 0.000 0.626 51 G N 1.053 109.977 108.800 0.207 0.000 2.649 51 G HA2 0.005 3.646 3.960 -0.532 0.000 0.220 51 G HA3 0.005 3.646 3.960 -0.532 0.000 0.220 51 G C 0.701 175.626 174.900 0.043 0.000 1.189 51 G CA 1.280 46.558 45.100 0.296 0.000 0.777 51 G HN 0.607 nan 8.290 nan 0.000 0.602 52 G N -1.676 107.082 108.800 -0.070 0.000 2.320 52 G HA2 0.253 3.894 3.960 -0.532 0.000 0.274 52 G HA3 0.253 3.894 3.960 -0.532 0.000 0.274 52 G C -1.303 173.518 174.900 -0.132 0.000 1.324 52 G CA -0.466 44.591 45.100 -0.073 0.000 0.957 52 G HN 0.591 nan 8.290 nan 0.000 0.481 53 I N 1.124 121.654 120.570 -0.067 0.000 2.362 53 I HA 0.398 4.249 4.170 -0.532 0.000 0.289 53 I C 0.246 176.278 176.117 -0.142 0.000 0.994 53 I CA -0.624 60.640 61.300 -0.061 0.000 1.158 53 I CB 2.018 40.051 38.000 0.055 0.000 1.315 53 I HN 0.368 nan 8.210 nan 0.000 0.451 54 T N 5.988 120.441 114.554 -0.168 0.000 2.794 54 T HA 0.424 4.455 4.350 -0.532 0.000 0.296 54 T C -0.443 174.121 174.700 -0.227 0.000 0.949 54 T CA -0.150 61.814 62.100 -0.226 0.000 1.101 54 T CB 0.940 69.696 68.868 -0.186 0.000 0.905 54 T HN 0.395 nan 8.240 nan 0.000 0.516 55 V N 2.698 122.430 119.914 -0.304 0.000 2.966 55 V HA 0.608 4.409 4.120 -0.532 0.000 0.288 55 V C -0.821 175.141 176.094 -0.220 0.000 1.380 55 V CA -0.961 61.203 62.300 -0.225 0.000 0.966 55 V CB 1.739 33.497 31.823 -0.110 0.000 1.115 55 V HN 0.962 nan 8.190 nan 0.000 0.436 56 A N 6.659 129.402 122.820 -0.128 0.000 2.981 56 A HA 0.391 4.391 4.320 -0.532 0.000 0.280 56 A C 0.876 178.399 177.584 -0.103 0.000 1.797 56 A CA 0.087 52.071 52.037 -0.088 0.000 1.456 56 A CB -0.574 18.447 19.000 0.035 0.000 1.057 56 A HN 0.955 nan 8.150 nan 0.000 0.602 57 L N 1.228 122.357 121.223 -0.156 0.000 2.270 57 L HA 0.105 4.126 4.340 -0.532 0.000 0.210 57 L C 1.929 178.705 176.870 -0.158 0.000 1.104 57 L CA 0.798 55.545 54.840 -0.156 0.000 0.804 57 L CB -0.308 41.635 42.059 -0.193 0.000 0.937 57 L HN 0.823 nan 8.230 nan 0.000 0.450 58 G N 0.519 109.196 108.800 -0.204 0.000 2.198 58 G HA2 -0.294 3.346 3.960 -0.532 0.000 0.260 58 G HA3 -0.294 3.346 3.960 -0.532 0.000 0.260 58 G C 0.617 175.402 174.900 -0.192 0.000 1.025 58 G CA 0.596 45.562 45.100 -0.224 0.000 0.769 58 G HN 0.326 nan 8.290 nan 0.000 0.507 59 N N -0.288 118.294 118.700 -0.195 0.000 2.207 59 N HA -0.011 4.410 4.740 -0.532 0.000 0.182 59 N C 2.273 177.712 175.510 -0.118 0.000 1.020 59 N CA 1.708 54.676 53.050 -0.137 0.000 0.858 59 N CB -0.337 38.069 38.487 -0.134 0.000 0.991 59 N HN 0.388 nan 8.380 nan 0.000 0.427 60 T N -0.060 114.387 114.554 -0.178 0.000 2.942 60 T HA -0.025 4.005 4.350 -0.532 0.000 0.265 60 T C -0.012 174.694 174.700 0.010 0.000 1.062 60 T CA 1.004 63.053 62.100 -0.086 0.000 1.139 60 T CB -0.034 68.779 68.868 -0.091 0.000 0.883 60 T HN 0.591 nan 8.240 nan 0.000 0.468 61 H N -1.221 117.849 119.070 0.001 0.000 3.014 61 H HA 0.568 4.805 4.556 -0.532 0.000 0.337 61 H C -0.981 174.366 175.328 0.032 0.000 1.320 61 H CA -1.088 54.976 56.048 0.027 0.000 1.128 61 H CB 0.598 30.387 29.762 0.046 0.000 1.862 61 H HN -0.071 nan 8.280 nan 0.000 0.536 62 E N 1.006 121.320 120.200 0.191 0.000 2.417 62 E HA 0.036 4.067 4.350 -0.532 0.000 0.261 62 E C -0.869 175.833 176.600 0.171 0.000 1.000 62 E CA 0.259 56.717 56.400 0.097 0.000 0.919 62 E CB 0.525 30.280 29.700 0.091 0.000 0.955 62 E HN 0.557 nan 8.360 nan 0.000 0.455 63 D N 2.551 122.910 120.400 -0.067 0.000 2.727 63 D HA 0.408 4.729 4.640 -0.532 0.000 0.264 63 D C -1.311 174.682 176.300 -0.510 0.000 1.101 63 D CA -0.565 53.364 54.000 -0.118 0.000 1.122 63 D CB 1.300 42.038 40.800 -0.103 0.000 1.390 63 D HN 0.452 nan 8.370 nan 0.000 0.606 64 N N 0.618 118.953 118.700 -0.609 0.000 2.521 64 N HA 0.009 4.429 4.740 -0.532 0.000 0.269 64 N C 0.806 176.094 175.510 -0.370 0.000 1.079 64 N CA -0.572 52.050 53.050 -0.714 0.000 0.980 64 N CB 0.653 38.252 38.487 -1.481 0.000 1.667 64 N HN 0.675 nan 8.380 nan 0.000 0.498 65 W N 3.779 124.975 121.300 -0.173 0.000 2.364 65 W HA -0.053 4.287 4.660 -0.533 0.000 0.281 65 W C 0.477 177.030 176.519 0.058 0.000 1.219 65 W CA 0.792 58.129 57.345 -0.014 0.000 1.220 65 W CB -0.338 29.113 29.460 -0.014 0.000 1.127 65 W HN 0.584 nan 8.180 nan 0.000 0.556 66 E N 0.073 119.810 120.200 -0.771 0.000 2.152 66 E HA -0.165 3.865 4.350 -0.532 0.000 0.192 66 E C 1.982 178.560 176.600 -0.036 0.000 0.983 66 E CA 1.551 57.627 56.400 -0.540 0.000 0.818 66 E CB -0.562 28.808 29.700 -0.550 0.000 0.758 66 E HN 0.182 nan 8.360 nan 0.000 0.467 67 W N 0.739 121.801 121.300 -0.396 0.000 2.338 67 W HA -0.158 4.183 4.660 -0.531 0.000 0.304 67 W C 2.135 178.629 176.519 -0.042 0.000 1.212 67 W CA 0.998 58.095 57.345 -0.414 0.000 1.264 67 W CB -1.371 27.873 29.460 -0.361 0.000 1.142 67 W HN 0.339 nan 8.180 nan 0.000 0.512 68 H N -0.641 118.537 119.070 0.180 0.000 2.389 68 H HA -0.157 4.080 4.556 -0.533 0.000 0.299 68 H C 2.290 177.706 175.328 0.147 0.000 1.081 68 H CA 1.573 57.716 56.048 0.157 0.000 1.345 68 H CB -0.116 29.738 29.762 0.154 0.000 1.393 68 H HN 0.033 nan 8.280 nan 0.000 0.520 69 M N 0.098 119.781 119.600 0.139 0.000 2.117 69 M HA -0.223 3.938 4.480 -0.532 0.000 0.262 69 M C 2.157 178.426 176.300 -0.052 0.000 1.065 69 M CA 1.635 56.995 55.300 0.101 0.000 1.114 69 M CB -0.324 32.510 32.600 0.389 0.000 1.361 69 M HN 0.348 nan 8.290 nan 0.000 0.408 70 Y N 1.489 121.621 120.300 -0.279 0.000 2.097 70 Y HA -0.307 3.923 4.550 -0.532 0.000 0.282 70 Y C 1.842 177.543 175.900 -0.331 0.000 1.152 70 Y CA 2.287 59.989 58.100 -0.664 0.000 1.136 70 Y CB -0.578 37.608 38.460 -0.458 0.000 0.975 70 Y HN 0.332 nan 8.280 nan 0.000 0.498 71 D N -0.699 119.640 120.400 -0.102 0.000 2.158 71 D HA -0.175 4.146 4.640 -0.532 0.000 0.197 71 D C 2.082 178.295 176.300 -0.145 0.000 0.995 71 D CA 2.045 55.995 54.000 -0.083 0.000 0.846 71 D CB -0.406 40.481 40.800 0.146 0.000 0.941 71 D HN 0.422 nan 8.370 nan 0.000 0.456 72 T N 0.289 114.767 114.554 -0.127 0.000 2.732 72 T HA -0.053 3.977 4.350 -0.532 0.000 0.261 72 T C 2.305 176.888 174.700 -0.194 0.000 1.040 72 T CA 0.598 62.633 62.100 -0.108 0.000 1.145 72 T CB -0.331 68.465 68.868 -0.120 0.000 0.866 72 T HN -0.048 nan 8.240 nan 0.000 0.427 73 V N 1.922 121.669 119.914 -0.279 0.000 2.332 73 V HA -0.204 3.597 4.120 -0.532 0.000 0.248 73 V C 2.516 178.215 176.094 -0.659 0.000 1.055 73 V CA 1.775 63.865 62.300 -0.350 0.000 1.038 73 V CB -0.547 31.114 31.823 -0.270 0.000 0.651 73 V HN 0.451 nan 8.190 nan 0.000 0.450 74 K N 0.263 120.206 120.400 -0.763 0.000 2.025 74 K HA -0.117 3.884 4.320 -0.532 0.000 0.207 74 K C 2.207 178.560 176.600 -0.412 0.000 1.049 74 K CA 1.580 57.383 56.287 -0.807 0.000 0.933 74 K CB -0.669 31.377 32.500 -0.758 0.000 0.714 74 K HN 0.458 nan 8.250 nan 0.000 0.438 75 G N 0.586 109.265 108.800 -0.201 0.000 2.475 75 G HA2 -0.285 3.355 3.960 -0.532 0.000 0.220 75 G HA3 -0.285 3.355 3.960 -0.532 0.000 0.220 75 G C 1.442 176.332 174.900 -0.017 0.000 1.125 75 G CA 1.268 46.374 45.100 0.009 0.000 0.755 75 G HN 0.527 nan 8.290 nan 0.000 0.565 76 S N -0.467 115.173 115.700 -0.099 0.000 2.603 76 S HA 0.068 4.219 4.470 -0.532 0.000 0.220 76 S C 0.998 175.583 174.600 -0.026 0.000 0.967 76 S CA 0.903 59.082 58.200 -0.035 0.000 0.920 76 S CB 0.071 63.249 63.200 -0.036 0.000 0.773 76 S HN 0.278 nan 8.310 nan 0.000 0.529 77 D N 0.403 120.749 120.400 -0.090 0.000 2.837 77 D HA -0.250 4.071 4.640 -0.532 0.000 0.230 77 D C -0.501 175.909 176.300 0.183 0.000 1.152 77 D CA 0.970 55.008 54.000 0.063 0.000 0.736 77 D CB -2.075 38.806 40.800 0.135 0.000 1.084 77 D HN 0.643 nan 8.370 nan 0.000 0.429 78 Y N -3.539 116.778 120.300 0.029 0.000 4.841 78 Y HA -0.345 3.885 4.550 -0.534 0.000 0.242 78 Y C 1.627 177.541 175.900 0.023 0.000 1.002 78 Y CA 1.186 59.305 58.100 0.032 0.000 2.011 78 Y CB -2.321 36.160 38.460 0.035 0.000 1.554 78 Y HN 0.501 nan 8.280 nan 0.000 0.618 79 I N -2.240 118.390 120.570 0.099 0.000 3.976 79 I HA 0.520 4.370 4.170 -0.532 0.000 0.337 79 I C 1.275 177.430 176.117 0.062 0.000 1.359 79 I CA 0.140 61.448 61.300 0.014 0.000 1.098 79 I CB 0.212 38.203 38.000 -0.015 0.000 1.027 79 I HN 0.137 nan 8.210 nan 0.000 0.394 80 G N 1.657 110.503 108.800 0.077 0.000 2.406 80 G HA2 0.117 3.757 3.960 -0.532 0.000 0.251 80 G HA3 0.117 3.757 3.960 -0.532 0.000 0.251 80 G C -0.592 174.374 174.900 0.111 0.000 1.271 80 G CA -0.280 44.876 45.100 0.094 0.000 0.859 80 G HN 0.243 nan 8.290 nan 0.000 0.540 81 D N 2.104 122.587 120.400 0.138 0.000 2.358 81 D HA 0.032 4.352 4.640 -0.532 0.000 0.258 81 D C 1.392 177.759 176.300 0.112 0.000 1.223 81 D CA 0.198 54.278 54.000 0.134 0.000 0.886 81 D CB 1.581 42.454 40.800 0.122 0.000 1.120 81 D HN 0.498 nan 8.370 nan 0.000 0.482 82 Q N 1.585 121.464 119.800 0.132 0.000 2.167 82 Q HA -0.144 3.877 4.340 -0.532 0.000 0.202 82 Q C 1.404 177.507 176.000 0.171 0.000 0.970 82 Q CA 0.934 56.838 55.803 0.167 0.000 0.855 82 Q CB 0.177 29.037 28.738 0.204 0.000 0.911 82 Q HN 0.548 nan 8.270 nan 0.000 0.438 83 D N 0.821 121.304 120.400 0.138 0.000 2.117 83 D HA -0.144 4.177 4.640 -0.532 0.000 0.198 83 D C 1.720 178.114 176.300 0.158 0.000 0.982 83 D CA 1.447 55.527 54.000 0.133 0.000 0.828 83 D CB -0.284 40.569 40.800 0.089 0.000 0.967 83 D HN 0.158 nan 8.370 nan 0.000 0.464 84 A N 0.882 123.786 122.820 0.140 0.000 1.897 84 A HA 0.021 4.022 4.320 -0.532 0.000 0.215 84 A C 2.578 180.328 177.584 0.276 0.000 1.181 84 A CA 0.950 53.108 52.037 0.202 0.000 0.620 84 A CB -0.713 18.334 19.000 0.078 0.000 0.821 84 A HN 0.275 nan 8.150 nan 0.000 0.443 85 I N -0.565 120.111 120.570 0.177 0.000 2.394 85 I HA -0.224 3.626 4.170 -0.532 0.000 0.251 85 I C 2.523 178.739 176.117 0.165 0.000 1.136 85 I CA 1.591 62.974 61.300 0.138 0.000 1.425 85 I CB -0.341 37.710 38.000 0.084 0.000 1.079 85 I HN 0.530 nan 8.210 nan 0.000 0.425 86 E N 0.825 121.156 120.200 0.218 0.000 2.051 86 E HA -0.291 3.740 4.350 -0.532 0.000 0.192 86 E C 2.283 178.908 176.600 0.042 0.000 0.991 86 E CA 1.398 57.934 56.400 0.227 0.000 0.799 86 E CB -0.197 29.662 29.700 0.264 0.000 0.748 86 E HN 0.480 nan 8.360 nan 0.000 0.449 87 Y N 0.855 121.148 120.300 -0.010 0.000 2.165 87 Y HA -0.253 3.977 4.550 -0.533 0.000 0.286 87 Y C 2.311 178.119 175.900 -0.152 0.000 1.155 87 Y CA 2.224 60.277 58.100 -0.079 0.000 1.164 87 Y CB -0.147 38.327 38.460 0.024 0.000 0.978 87 Y HN 0.083 nan 8.280 nan 0.000 0.513 88 M N -1.192 118.414 119.600 0.010 0.000 2.081 88 M HA -0.211 3.950 4.480 -0.532 0.000 0.261 88 M C 2.213 178.417 176.300 -0.160 0.000 1.075 88 M CA 2.256 57.479 55.300 -0.129 0.000 1.133 88 M CB -0.583 32.056 32.600 0.066 0.000 1.330 88 M HN 0.395 nan 8.290 nan 0.000 0.414 89 C N 0.591 119.846 119.300 -0.076 0.000 2.425 89 C HA -0.125 4.016 4.460 -0.532 0.000 0.277 89 C C 2.626 177.589 174.990 -0.044 0.000 1.280 89 C CA 1.247 60.286 59.018 0.034 0.000 1.744 89 C CB -1.216 26.584 27.740 0.099 0.000 1.989 89 C HN 0.590 nan 8.230 nan 0.000 0.491 90 K N 1.423 121.579 120.400 -0.407 0.000 2.007 90 K HA -0.092 3.909 4.320 -0.532 0.000 0.206 90 K C 1.940 178.197 176.600 -0.572 0.000 1.047 90 K CA 2.162 57.919 56.287 -0.885 0.000 0.937 90 K CB -0.884 30.800 32.500 -1.361 0.000 0.718 90 K HN 0.370 nan 8.250 nan 0.000 0.438 91 T N 0.258 114.469 114.554 -0.572 0.000 2.708 91 T HA -0.058 3.973 4.350 -0.532 0.000 0.266 91 T C 1.654 176.160 174.700 -0.324 0.000 1.037 91 T CA 1.362 63.156 62.100 -0.511 0.000 1.146 91 T CB -1.093 67.321 68.868 -0.757 0.000 0.865 91 T HN 0.523 nan 8.240 nan 0.000 0.435 92 G N 2.827 111.473 108.800 -0.255 0.000 2.913 92 G HA2 -0.329 3.312 3.960 -0.532 0.000 0.269 92 G HA3 -0.329 3.312 3.960 -0.532 0.000 0.269 92 G C -0.639 174.188 174.900 -0.123 0.000 1.091 92 G CA 1.719 46.738 45.100 -0.135 0.000 0.753 92 G HN 0.380 nan 8.290 nan 0.000 0.776 93 P HA -0.145 nan 4.420 nan 0.000 0.217 93 P C 1.732 178.957 177.300 -0.125 0.000 1.162 93 P CA 1.958 64.992 63.100 -0.110 0.000 0.901 93 P CB -0.171 31.470 31.700 -0.098 0.000 0.793 94 E N -0.532 119.581 120.200 -0.145 0.000 2.077 94 E HA -0.203 3.828 4.350 -0.532 0.000 0.193 94 E C 1.910 178.424 176.600 -0.144 0.000 0.989 94 E CA 1.321 57.631 56.400 -0.150 0.000 0.800 94 E CB -0.574 29.031 29.700 -0.158 0.000 0.746 94 E HN 0.066 nan 8.360 nan 0.000 0.452 95 A N 0.880 123.615 122.820 -0.142 0.000 2.019 95 A HA -0.136 3.865 4.320 -0.532 0.000 0.219 95 A C 2.000 179.542 177.584 -0.071 0.000 1.164 95 A CA 1.038 53.007 52.037 -0.114 0.000 0.644 95 A CB -0.258 18.664 19.000 -0.130 0.000 0.805 95 A HN 0.318 nan 8.150 nan 0.000 0.449 96 I N -0.662 119.870 120.570 -0.064 0.000 2.731 96 I HA -0.016 3.834 4.170 -0.532 0.000 0.260 96 I C 2.294 178.415 176.117 0.008 0.000 1.138 96 I CA 0.605 61.902 61.300 -0.005 0.000 1.461 96 I CB -1.224 36.764 38.000 -0.019 0.000 1.128 96 I HN 0.262 nan 8.210 nan 0.000 0.438 97 L N 0.494 121.675 121.223 -0.069 0.000 2.079 97 L HA -0.226 3.794 4.340 -0.532 0.000 0.210 97 L C 2.441 179.249 176.870 -0.104 0.000 1.081 97 L CA 1.362 56.155 54.840 -0.077 0.000 0.752 97 L CB -0.563 41.406 42.059 -0.150 0.000 0.896 97 L HN 0.295 nan 8.230 nan 0.000 0.433 98 E N 0.501 120.612 120.200 -0.149 0.000 2.130 98 E HA -0.246 3.785 4.350 -0.532 0.000 0.196 98 E C 2.322 178.932 176.600 0.017 0.000 0.998 98 E CA 1.168 57.488 56.400 -0.132 0.000 0.806 98 E CB -0.027 29.610 29.700 -0.104 0.000 0.738 98 E HN 0.465 nan 8.360 nan 0.000 0.459 99 L N 0.645 121.908 121.223 0.067 0.000 2.056 99 L HA -0.147 3.874 4.340 -0.532 0.000 0.207 99 L C 2.741 179.720 176.870 0.182 0.000 1.078 99 L CA 0.917 55.823 54.840 0.109 0.000 0.749 99 L CB -0.430 41.705 42.059 0.126 0.000 0.901 99 L HN 0.180 nan 8.230 nan 0.000 0.433 100 E N 0.085 120.467 120.200 0.304 0.000 2.118 100 E HA -0.246 3.785 4.350 -0.532 0.000 0.195 100 E C 1.978 178.737 176.600 0.264 0.000 0.992 100 E CA 1.426 58.041 56.400 0.358 0.000 0.804 100 E CB -0.077 29.841 29.700 0.364 0.000 0.741 100 E HN 0.617 nan 8.360 nan 0.000 0.458 101 H N -1.035 118.072 119.070 0.062 0.000 2.495 101 H HA 0.026 4.262 4.556 -0.532 0.000 0.287 101 H C 1.854 177.191 175.328 0.015 0.000 1.033 101 H CA 0.735 56.800 56.048 0.028 0.000 1.307 101 H CB 0.175 29.943 29.762 0.010 0.000 1.401 101 H HN 0.193 nan 8.280 nan 0.000 0.555 102 M N -0.741 118.940 119.600 0.136 0.000 2.595 102 M HA 0.052 4.212 4.480 -0.532 0.000 0.248 102 M C 1.439 177.757 176.300 0.030 0.000 1.119 102 M CA 0.831 56.165 55.300 0.056 0.000 1.079 102 M CB 0.908 33.527 32.600 0.032 0.000 1.472 102 M HN 0.458 nan 8.290 nan 0.000 0.501 103 G N 0.958 109.784 108.800 0.044 0.000 2.211 103 G HA2 -0.205 3.436 3.960 -0.532 0.000 0.201 103 G HA3 -0.205 3.436 3.960 -0.532 0.000 0.201 103 G C 0.030 174.933 174.900 0.005 0.000 0.997 103 G CA -0.552 44.560 45.100 0.020 0.000 0.652 103 G HN 0.386 nan 8.290 nan 0.000 0.500 104 L N 3.082 124.294 121.223 -0.018 0.000 2.706 104 L HA 0.230 4.251 4.340 -0.532 0.000 0.282 104 L C -1.155 175.627 176.870 -0.147 0.000 1.219 104 L CA -0.442 54.312 54.840 -0.143 0.000 0.935 104 L CB 0.593 42.481 42.059 -0.284 0.000 1.204 104 L HN 0.038 nan 8.230 nan 0.000 0.491 105 P HA 0.070 nan 4.420 nan 0.000 0.220 105 P C -0.541 176.743 177.300 -0.026 0.000 1.806 105 P CA -0.170 62.905 63.100 -0.043 0.000 0.976 105 P CB -0.368 31.320 31.700 -0.021 0.000 1.952 106 F N 0.555 120.532 119.950 0.045 0.000 2.545 106 F HA 0.007 4.215 4.527 -0.533 0.000 0.348 106 F C 1.697 177.532 175.800 0.059 0.000 1.163 106 F CA 0.750 58.785 58.000 0.058 0.000 1.331 106 F CB 0.120 39.154 39.000 0.057 0.000 1.138 106 F HN 0.074 nan 8.300 nan 0.000 0.602 107 S N 2.848 118.732 115.700 0.307 0.000 2.589 107 S HA 0.435 4.586 4.470 -0.532 0.000 0.265 107 S C 0.011 174.725 174.600 0.190 0.000 1.342 107 S CA -0.706 57.598 58.200 0.172 0.000 1.005 107 S CB 0.562 63.817 63.200 0.093 0.000 0.909 107 S HN 0.334 nan 8.310 nan 0.000 0.555 108 R N 0.508 121.063 120.500 0.093 0.000 2.744 108 R HA 0.497 4.518 4.340 -0.532 0.000 0.279 108 R C -0.680 175.673 176.300 0.088 0.000 0.977 108 R CA -0.647 55.512 56.100 0.098 0.000 0.906 108 R CB 0.892 31.229 30.300 0.061 0.000 1.197 108 R HN 0.510 nan 8.270 nan 0.000 0.463 109 L N 1.070 122.359 121.223 0.110 0.000 2.479 109 L HA 0.147 4.168 4.340 -0.532 0.000 0.249 109 L C 1.153 178.054 176.870 0.052 0.000 1.178 109 L CA -0.388 54.511 54.840 0.099 0.000 0.811 109 L CB 0.487 42.602 42.059 0.093 0.000 1.187 109 L HN 0.488 nan 8.230 nan 0.000 0.480 110 D N 0.172 120.599 120.400 0.044 0.000 2.144 110 D HA -0.182 4.139 4.640 -0.532 0.000 0.199 110 D C 1.341 177.655 176.300 0.023 0.000 0.984 110 D CA 1.416 55.432 54.000 0.028 0.000 0.834 110 D CB -0.196 40.620 40.800 0.026 0.000 0.955 110 D HN 0.632 nan 8.370 nan 0.000 0.465 111 D N -1.247 119.168 120.400 0.024 0.000 2.363 111 D HA 0.104 4.425 4.640 -0.532 0.000 0.220 111 D C 1.444 177.753 176.300 0.014 0.000 0.994 111 D CA 0.869 54.879 54.000 0.016 0.000 0.890 111 D CB -0.213 40.596 40.800 0.014 0.000 0.906 111 D HN 0.224 nan 8.370 nan 0.000 0.530 112 G N -0.326 108.486 108.800 0.020 0.000 2.148 112 G HA2 -0.251 3.389 3.960 -0.532 0.000 0.203 112 G HA3 -0.251 3.389 3.960 -0.532 0.000 0.203 112 G C 0.129 175.039 174.900 0.018 0.000 0.993 112 G CA -0.331 44.781 45.100 0.019 0.000 0.661 112 G HN 0.395 nan 8.290 nan 0.000 0.518 113 R N -0.529 119.980 120.500 0.015 0.000 2.596 113 R HA 0.635 4.655 4.340 -0.532 0.000 0.267 113 R C 0.806 177.103 176.300 -0.006 0.000 1.026 113 R CA -0.978 55.118 56.100 -0.007 0.000 1.087 113 R CB 1.036 31.323 30.300 -0.023 0.000 1.132 113 R HN 0.229 nan 8.270 nan 0.000 0.531 114 I N 2.584 123.108 120.570 -0.076 0.000 2.742 114 I HA -0.157 3.693 4.170 -0.532 0.000 0.287 114 I C 0.278 176.365 176.117 -0.050 0.000 1.186 114 I CA 0.357 61.577 61.300 -0.134 0.000 1.417 114 I CB -0.216 37.507 38.000 -0.461 0.000 1.377 114 I HN 0.441 nan 8.210 nan 0.000 0.556 115 Y N 7.912 128.177 120.300 -0.058 0.000 2.610 115 Y HA 0.059 4.290 4.550 -0.533 0.000 0.332 115 Y C 0.000 175.876 175.900 -0.040 0.000 1.201 115 Y CA 0.201 58.288 58.100 -0.021 0.000 1.465 115 Y CB 0.344 38.823 38.460 0.032 0.000 1.283 115 Y HN 0.516 nan 8.280 nan 0.000 0.563 116 Q N 5.991 125.365 119.800 -0.709 0.000 2.375 116 Q HA 0.478 4.499 4.340 -0.532 0.000 0.271 116 Q C -1.220 174.302 176.000 -0.797 0.000 1.074 116 Q CA -1.243 54.186 55.803 -0.623 0.000 0.808 116 Q CB 2.368 30.899 28.738 -0.345 0.000 1.327 116 Q HN 0.795 nan 8.270 nan 0.000 0.441 117 R N 0.543 120.753 120.500 -0.483 0.000 2.803 117 R HA 0.703 4.724 4.340 -0.532 0.000 0.276 117 R C -2.868 173.446 176.300 0.023 0.000 0.978 117 R CA -2.229 53.748 56.100 -0.204 0.000 0.939 117 R CB 0.916 31.211 30.300 -0.008 0.000 1.179 117 R HN 0.209 nan 8.270 nan 0.000 0.472 118 P HA 0.104 nan 4.420 nan 0.000 0.269 118 P C -1.303 176.158 177.300 0.268 0.000 1.215 118 P CA 0.063 63.246 63.100 0.138 0.000 0.780 118 P CB 0.301 32.056 31.700 0.091 0.000 0.898 119 F N -0.555 119.392 119.950 -0.006 0.000 2.779 119 F HA 0.506 4.718 4.527 -0.526 0.000 0.316 119 F C 0.267 176.051 175.800 -0.027 0.000 1.164 119 F CA -0.504 57.489 58.000 -0.013 0.000 0.924 119 F CB 1.154 40.146 39.000 -0.013 0.000 1.348 119 F HN 0.319 nan 8.300 nan 0.000 0.467 120 G N 0.674 109.446 108.800 -0.047 0.000 2.313 120 G HA2 0.414 4.055 3.960 -0.532 0.000 0.250 120 G HA3 0.414 4.055 3.960 -0.532 0.000 0.250 120 G C 0.558 175.469 174.900 0.018 0.000 1.281 120 G CA 0.418 45.469 45.100 -0.081 0.000 0.917 120 G HN 1.697 nan 8.290 nan 0.000 0.501 121 G N 1.466 110.253 108.800 -0.022 0.000 2.326 121 G HA2 -0.178 3.463 3.960 -0.532 0.000 0.286 121 G HA3 -0.178 3.463 3.960 -0.532 0.000 0.286 121 G C -0.035 174.949 174.900 0.140 0.000 1.096 121 G CA 0.157 45.301 45.100 0.074 0.000 1.003 121 G HN 0.916 nan 8.290 nan 0.000 0.503 122 Q N -0.010 119.867 119.800 0.128 0.000 2.337 122 Q HA 0.560 4.581 4.340 -0.532 0.000 0.260 122 Q C -0.201 175.854 176.000 0.091 0.000 0.982 122 Q CA -0.168 55.710 55.803 0.126 0.000 0.734 122 Q CB 2.048 30.860 28.738 0.123 0.000 1.272 122 Q HN 0.787 nan 8.270 nan 0.000 0.461 123 S N 1.613 117.359 115.700 0.077 0.000 2.568 123 S HA 0.651 4.801 4.470 -0.532 0.000 0.293 123 S C -0.615 173.878 174.600 -0.178 0.000 1.089 123 S CA -1.009 57.171 58.200 -0.033 0.000 0.945 123 S CB 2.016 65.211 63.200 -0.008 0.000 1.077 123 S HN 0.396 nan 8.310 nan 0.000 0.485 124 K N 1.143 121.310 120.400 -0.388 0.000 2.098 124 K HA 0.417 4.417 4.320 -0.532 0.000 0.261 124 K C -0.551 175.273 176.600 -1.293 0.000 0.987 124 K CA -0.802 54.913 56.287 -0.954 0.000 0.916 124 K CB 0.104 32.149 32.500 -0.757 0.000 1.039 124 K HN 0.802 nan 8.250 nan 0.000 0.455 125 N N 1.053 118.263 118.700 -2.483 0.000 2.696 125 N HA -0.206 4.214 4.740 -0.532 0.000 0.256 125 N C -1.274 173.872 175.510 -0.606 0.000 1.031 125 N CA 0.488 52.790 53.050 -1.246 0.000 0.730 125 N CB -1.727 36.440 38.487 -0.533 0.000 0.894 125 N HN 0.620 nan 8.380 nan 0.000 0.544 126 F N -1.558 117.927 119.950 -0.775 0.000 2.667 126 F HA -0.179 4.028 4.527 -0.533 0.000 0.250 126 F C 1.525 176.815 175.800 -0.851 0.000 1.029 126 F CA 1.004 58.432 58.000 -0.953 0.000 0.944 126 F CB -1.744 36.801 39.000 -0.759 0.000 0.994 126 F HN 0.566 nan 8.300 nan 0.000 0.842 127 G N -0.720 107.918 108.800 -0.271 0.000 2.131 127 G HA2 0.063 3.704 3.960 -0.532 0.000 0.223 127 G HA3 0.063 3.704 3.960 -0.532 0.000 0.223 127 G C 0.776 175.639 174.900 -0.062 0.000 0.990 127 G CA -0.074 45.054 45.100 0.048 0.000 0.671 127 G HN 1.341 nan 8.290 nan 0.000 0.521 128 G N -0.536 108.154 108.800 -0.184 0.000 2.928 128 G HA2 0.503 4.144 3.960 -0.532 0.000 0.163 128 G HA3 0.503 4.144 3.960 -0.532 0.000 0.163 128 G C 0.275 175.089 174.900 -0.142 0.000 1.573 128 G CA 0.354 45.346 45.100 -0.180 0.000 1.084 128 G HN 0.549 nan 8.290 nan 0.000 0.569 129 E N -0.232 119.865 120.200 -0.172 0.000 2.422 129 E HA 0.139 4.170 4.350 -0.532 0.000 0.260 129 E C 0.164 176.686 176.600 -0.130 0.000 1.108 129 E CA -0.219 56.101 56.400 -0.135 0.000 0.943 129 E CB 0.497 30.107 29.700 -0.150 0.000 0.961 129 E HN 0.329 nan 8.360 nan 0.000 0.443 130 Q N 1.500 121.250 119.800 -0.084 0.000 2.337 130 Q HA 0.268 4.289 4.340 -0.532 0.000 0.270 130 Q C -1.365 174.582 176.000 -0.088 0.000 1.002 130 Q CA 0.144 55.916 55.803 -0.051 0.000 0.888 130 Q CB 1.174 29.901 28.738 -0.018 0.000 1.222 130 Q HN 0.471 nan 8.270 nan 0.000 0.400 131 A N 3.016 125.819 122.820 -0.028 0.000 2.309 131 A HA 0.900 4.901 4.320 -0.532 0.000 0.317 131 A C -1.081 176.603 177.584 0.166 0.000 1.134 131 A CA -0.357 51.699 52.037 0.031 0.000 0.866 131 A CB 1.445 20.547 19.000 0.170 0.000 1.329 131 A HN 1.011 nan 8.150 nan 0.000 0.477 132 A N 0.539 123.579 122.820 0.367 0.000 2.702 132 A HA 0.575 4.576 4.320 -0.532 0.000 0.305 132 A C 0.091 177.698 177.584 0.039 0.000 1.213 132 A CA -0.449 51.685 52.037 0.163 0.000 0.745 132 A CB 0.087 19.158 19.000 0.119 0.000 1.161 132 A HN 1.030 nan 8.150 nan 0.000 0.445 133 R N 0.428 120.915 120.500 -0.022 0.000 2.629 133 R HA 0.236 4.256 4.340 -0.532 0.000 0.408 133 R C -0.831 175.348 176.300 -0.202 0.000 1.057 133 R CA -0.089 55.924 56.100 -0.145 0.000 1.119 133 R CB 0.193 30.408 30.300 -0.141 0.000 1.403 133 R HN 0.276 nan 8.270 nan 0.000 0.576 134 T N 1.722 116.158 114.554 -0.197 0.000 2.811 134 T HA 0.464 4.495 4.350 -0.532 0.000 0.309 134 T C 0.013 174.576 174.700 -0.228 0.000 1.005 134 T CA -0.279 61.656 62.100 -0.274 0.000 0.955 134 T CB 1.121 69.708 68.868 -0.469 0.000 0.970 134 T HN 0.404 nan 8.240 nan 0.000 0.496 135 A N 3.259 125.971 122.820 -0.181 0.000 2.450 135 A HA 0.748 4.749 4.320 -0.532 0.000 0.255 135 A C 0.398 178.057 177.584 0.124 0.000 1.096 135 A CA -0.502 51.467 52.037 -0.114 0.000 0.778 135 A CB 0.111 18.963 19.000 -0.248 0.000 1.031 135 A HN 1.001 nan 8.150 nan 0.000 0.494 136 A N 1.220 124.205 122.820 0.274 0.000 2.587 136 A HA 0.798 4.799 4.320 -0.532 0.000 0.293 136 A C -0.329 177.496 177.584 0.402 0.000 1.087 136 A CA 0.008 52.240 52.037 0.325 0.000 0.692 136 A CB 1.258 20.403 19.000 0.241 0.000 1.291 136 A HN 2.264 nan 8.150 nan 0.000 0.407 137 A N 1.180 124.129 122.820 0.215 0.000 2.316 137 A HA 0.776 4.777 4.320 -0.532 0.000 0.324 137 A C 0.911 178.558 177.584 0.104 0.000 1.375 137 A CA 0.723 52.840 52.037 0.134 0.000 0.882 137 A CB -0.719 18.286 19.000 0.009 0.000 1.152 137 A HN 2.848 nan 8.150 nan 0.000 0.512 138 A N 2.582 125.460 122.820 0.097 0.000 5.481 138 A HA -0.263 3.738 4.320 -0.532 0.000 0.318 138 A C 0.789 178.436 177.584 0.105 0.000 1.837 138 A CA 1.803 53.879 52.037 0.065 0.000 0.717 138 A CB -1.319 17.696 19.000 0.025 0.000 1.349 138 A HN 1.606 nan 8.150 nan 0.000 0.388 139 D N -0.487 119.957 120.400 0.073 0.000 2.772 139 D HA 0.340 4.660 4.640 -0.532 0.000 0.272 139 D C 0.557 176.892 176.300 0.059 0.000 1.314 139 D CA -0.020 54.031 54.000 0.086 0.000 0.835 139 D CB -0.168 40.677 40.800 0.077 0.000 1.080 139 D HN 0.573 nan 8.370 nan 0.000 0.482 140 R N -0.301 120.232 120.500 0.054 0.000 2.629 140 R HA 0.191 4.212 4.340 -0.532 0.000 0.386 140 R C 0.702 177.054 176.300 0.087 0.000 1.071 140 R CA -0.135 55.996 56.100 0.051 0.000 1.104 140 R CB 0.389 30.693 30.300 0.006 0.000 1.370 140 R HN 0.013 nan 8.270 nan 0.000 0.574 141 T N 0.494 115.087 114.554 0.064 0.000 2.684 141 T HA -0.167 3.864 4.350 -0.532 0.000 0.267 141 T C 2.018 176.728 174.700 0.016 0.000 1.036 141 T CA 2.012 64.128 62.100 0.027 0.000 1.148 141 T CB -0.256 68.634 68.868 0.037 0.000 0.863 141 T HN 0.539 nan 8.240 nan 0.000 0.436 142 G N 0.662 109.481 108.800 0.032 0.000 2.476 142 G HA2 -0.355 3.285 3.960 -0.532 0.000 0.218 142 G HA3 -0.355 3.285 3.960 -0.532 0.000 0.218 142 G C 1.247 176.168 174.900 0.034 0.000 1.164 142 G CA 1.664 46.771 45.100 0.012 0.000 0.768 142 G HN 0.696 nan 8.290 nan 0.000 0.560 143 H N 1.043 120.113 119.070 -0.001 0.000 2.319 143 H HA 0.059 4.295 4.556 -0.532 0.000 0.299 143 H C 2.686 178.073 175.328 0.100 0.000 1.092 143 H CA 2.274 58.365 56.048 0.072 0.000 1.302 143 H CB -0.286 29.525 29.762 0.082 0.000 1.373 143 H HN 0.308 nan 8.280 nan 0.000 0.497 144 A N 0.614 123.478 122.820 0.074 0.000 1.877 144 A HA -0.112 3.889 4.320 -0.532 0.000 0.216 144 A C 2.436 179.955 177.584 -0.109 0.000 1.186 144 A CA 1.539 53.551 52.037 -0.042 0.000 0.620 144 A CB -0.988 17.968 19.000 -0.073 0.000 0.822 144 A HN 0.513 nan 8.150 nan 0.000 0.443 145 L N -0.848 120.309 121.223 -0.111 0.000 1.989 145 L HA -0.132 3.889 4.340 -0.532 0.000 0.211 145 L C 2.269 179.088 176.870 -0.086 0.000 1.071 145 L CA 2.168 56.945 54.840 -0.105 0.000 0.749 145 L CB -0.607 41.407 42.059 -0.075 0.000 0.890 145 L HN 0.316 nan 8.230 nan 0.000 0.431 146 L N -0.776 120.382 121.223 -0.108 0.000 2.017 146 L HA -0.225 3.796 4.340 -0.532 0.000 0.208 146 L C 2.469 179.232 176.870 -0.179 0.000 1.073 146 L CA 1.986 56.733 54.840 -0.156 0.000 0.745 146 L CB -0.774 41.152 42.059 -0.221 0.000 0.894 146 L HN 0.420 nan 8.230 nan 0.000 0.432 147 H N -1.783 117.189 119.070 -0.164 0.000 2.421 147 H HA -0.127 4.110 4.556 -0.532 0.000 0.298 147 H C 2.022 177.332 175.328 -0.029 0.000 1.087 147 H CA 1.866 57.846 56.048 -0.113 0.000 1.330 147 H CB -0.082 29.527 29.762 -0.255 0.000 1.388 147 H HN 0.342 nan 8.280 nan 0.000 0.526 148 T N 0.237 114.810 114.554 0.032 0.000 2.777 148 T HA -0.095 3.935 4.350 -0.532 0.000 0.266 148 T C 2.070 176.771 174.700 0.001 0.000 1.040 148 T CA 0.966 63.069 62.100 0.005 0.000 1.141 148 T CB -0.218 68.628 68.868 -0.037 0.000 0.868 148 T HN 0.212 nan 8.240 nan 0.000 0.444 149 L N -0.304 120.913 121.223 -0.009 0.000 2.201 149 L HA -0.056 3.965 4.340 -0.532 0.000 0.212 149 L C 2.334 179.205 176.870 0.002 0.000 1.105 149 L CA 1.150 55.980 54.840 -0.016 0.000 0.775 149 L CB -0.476 41.568 42.059 -0.025 0.000 0.913 149 L HN 0.262 nan 8.230 nan 0.000 0.440 150 Y N 0.969 121.204 120.300 -0.108 0.000 2.163 150 Y HA -0.259 3.971 4.550 -0.532 0.000 0.288 150 Y C 2.635 178.494 175.900 -0.067 0.000 1.136 150 Y CA 1.550 59.581 58.100 -0.114 0.000 1.147 150 Y CB -0.270 38.101 38.460 -0.148 0.000 0.987 150 Y HN 0.174 nan 8.280 nan 0.000 0.509 151 Q N -0.446 119.311 119.800 -0.072 0.000 2.096 151 Q HA -0.248 3.773 4.340 -0.532 0.000 0.204 151 Q C 2.152 178.047 176.000 -0.176 0.000 0.982 151 Q CA 1.600 57.319 55.803 -0.140 0.000 0.850 151 Q CB -0.232 28.495 28.738 -0.018 0.000 0.901 151 Q HN 0.464 nan 8.270 nan 0.000 0.422 152 Q N 0.429 120.157 119.800 -0.121 0.000 2.124 152 Q HA -0.106 3.915 4.340 -0.532 0.000 0.202 152 Q C 1.653 177.557 176.000 -0.160 0.000 0.977 152 Q CA 1.033 56.766 55.803 -0.116 0.000 0.850 152 Q CB -0.280 28.415 28.738 -0.072 0.000 0.901 152 Q HN 0.449 nan 8.270 nan 0.000 0.429 153 N N 0.126 118.707 118.700 -0.198 0.000 2.270 153 N HA -0.028 4.392 4.740 -0.532 0.000 0.181 153 N C 1.959 177.300 175.510 -0.283 0.000 1.016 153 N CA 0.449 53.371 53.050 -0.214 0.000 0.870 153 N CB 0.067 38.440 38.487 -0.190 0.000 0.979 153 N HN 0.226 nan 8.380 nan 0.000 0.431 154 L N 1.415 122.395 121.223 -0.405 0.000 1.976 154 L HA -0.166 3.855 4.340 -0.532 0.000 0.209 154 L C 2.579 179.247 176.870 -0.335 0.000 1.071 154 L CA 1.253 55.873 54.840 -0.366 0.000 0.746 154 L CB -0.451 41.373 42.059 -0.392 0.000 0.890 154 L HN 0.129 nan 8.230 nan 0.000 0.432 155 K N 0.218 120.437 120.400 -0.301 0.000 2.113 155 K HA -0.262 3.739 4.320 -0.532 0.000 0.208 155 K C 1.717 178.039 176.600 -0.463 0.000 1.047 155 K CA 1.761 57.850 56.287 -0.329 0.000 0.928 155 K CB -0.149 32.232 32.500 -0.199 0.000 0.716 155 K HN 0.303 nan 8.250 nan 0.000 0.446 156 N N -0.323 118.181 118.700 -0.326 0.000 2.322 156 N HA -0.088 4.333 4.740 -0.532 0.000 0.194 156 N C -0.690 174.740 175.510 -0.134 0.000 1.126 156 N CA 0.181 53.100 53.050 -0.219 0.000 0.845 156 N CB 0.193 38.604 38.487 -0.126 0.000 0.976 156 N HN 0.266 nan 8.380 nan 0.000 0.475 157 H N -0.508 118.518 119.070 -0.073 0.000 2.791 157 H HA -0.130 4.107 4.556 -0.532 0.000 0.302 157 H C -0.350 174.943 175.328 -0.059 0.000 1.198 157 H CA 0.853 56.864 56.048 -0.062 0.000 1.145 157 H CB -2.418 27.320 29.762 -0.040 0.000 1.385 157 H HN 0.151 nan 8.280 nan 0.000 0.409 158 T N 1.281 115.835 114.554 -0.000 0.000 2.940 158 T HA 0.082 4.113 4.350 -0.532 0.000 0.309 158 T C 0.959 175.646 174.700 -0.021 0.000 1.056 158 T CA 0.386 62.473 62.100 -0.021 0.000 1.137 158 T CB 0.636 69.464 68.868 -0.066 0.000 0.976 158 T HN 0.234 nan 8.240 nan 0.000 0.547 159 T N 4.909 119.452 114.554 -0.019 0.000 2.743 159 T HA 0.333 4.364 4.350 -0.532 0.000 0.290 159 T C 0.257 174.904 174.700 -0.088 0.000 0.908 159 T CA -0.035 62.035 62.100 -0.050 0.000 1.092 159 T CB -0.443 68.443 68.868 0.030 0.000 0.882 159 T HN 0.353 nan 8.240 nan 0.000 0.531 160 I N 3.867 124.358 120.570 -0.132 0.000 2.382 160 I HA 0.339 4.190 4.170 -0.532 0.000 0.286 160 I C -0.542 175.494 176.117 -0.135 0.000 1.002 160 I CA -0.766 60.491 61.300 -0.071 0.000 1.135 160 I CB 1.302 39.295 38.000 -0.011 0.000 1.288 160 I HN 0.546 nan 8.210 nan 0.000 0.448 161 F N 4.980 124.848 119.950 -0.136 0.000 2.451 161 F HA 0.202 4.410 4.527 -0.532 0.000 0.356 161 F C 1.136 177.008 175.800 0.120 0.000 1.178 161 F CA -0.175 57.748 58.000 -0.129 0.000 1.210 161 F CB 0.819 39.461 39.000 -0.597 0.000 1.504 161 F HN 0.393 nan 8.300 nan 0.000 0.598 162 S N 2.367 118.274 115.700 0.346 0.000 2.580 162 S HA 0.135 4.286 4.470 -0.532 0.000 0.274 162 S C 0.448 175.327 174.600 0.465 0.000 1.329 162 S CA -0.285 58.120 58.200 0.342 0.000 1.036 162 S CB 0.294 63.684 63.200 0.316 0.000 0.919 162 S HN 0.739 nan 8.310 nan 0.000 0.515 163 E N 1.391 121.789 120.200 0.330 0.000 2.210 163 E HA -0.202 3.828 4.350 -0.532 0.000 0.201 163 E C -1.675 175.031 176.600 0.176 0.000 1.339 163 E CA 0.695 57.233 56.400 0.229 0.000 0.699 163 E CB -1.095 28.721 29.700 0.194 0.000 1.126 163 E HN 0.554 nan 8.360 nan 0.000 0.355 164 W N 0.727 122.089 121.300 0.103 0.000 2.656 164 W HA 0.430 4.771 4.660 -0.533 0.000 0.327 164 W C -0.268 176.296 176.519 0.076 0.000 1.041 164 W CA -0.694 56.715 57.345 0.107 0.000 1.229 164 W CB 0.904 30.430 29.460 0.110 0.000 1.397 164 W HN 0.190 nan 8.180 nan 0.000 0.479 165 Y N 3.252 123.635 120.300 0.138 0.000 2.369 165 Y HA 0.640 4.870 4.550 -0.533 0.000 0.337 165 Y C 0.310 176.266 175.900 0.095 0.000 0.961 165 Y CA -1.056 57.082 58.100 0.062 0.000 1.186 165 Y CB 0.511 38.957 38.460 -0.024 0.000 1.139 165 Y HN 0.518 nan 8.280 nan 0.000 0.494 166 A N 7.152 129.777 122.820 -0.326 0.000 2.492 166 A HA 0.223 4.223 4.320 -0.532 0.000 0.254 166 A C 0.225 177.669 177.584 -0.234 0.000 1.091 166 A CA -0.043 51.865 52.037 -0.215 0.000 0.768 166 A CB 0.090 18.942 19.000 -0.246 0.000 1.028 166 A HN 1.094 nan 8.150 nan 0.000 0.498 167 L N 1.550 122.809 121.223 0.061 0.000 2.117 167 L HA 0.229 4.250 4.340 -0.532 0.000 0.200 167 L C 0.376 177.299 176.870 0.088 0.000 1.110 167 L CA 0.657 55.593 54.840 0.160 0.000 0.774 167 L CB -0.045 42.130 42.059 0.193 0.000 0.934 167 L HN 0.602 nan 8.230 nan 0.000 0.456 168 D N -1.443 119.003 120.400 0.077 0.000 2.655 168 D HA 0.391 4.712 4.640 -0.532 0.000 0.229 168 D C -0.953 175.378 176.300 0.051 0.000 1.229 168 D CA -0.508 53.524 54.000 0.055 0.000 0.807 168 D CB 2.610 43.447 40.800 0.061 0.000 1.514 168 D HN -0.129 nan 8.370 nan 0.000 0.444 169 L N 0.542 121.788 121.223 0.037 0.000 2.482 169 L HA 0.235 4.255 4.340 -0.532 0.000 0.273 169 L C 0.083 176.975 176.870 0.037 0.000 1.228 169 L CA -0.196 54.671 54.840 0.044 0.000 0.827 169 L CB 0.422 42.501 42.059 0.032 0.000 1.099 169 L HN 0.025 nan 8.230 nan 0.000 0.494 170 V N 2.186 122.131 119.914 0.051 0.000 2.448 170 V HA 0.353 4.154 4.120 -0.532 0.000 0.295 170 V C -0.139 175.966 176.094 0.018 0.000 1.025 170 V CA -0.832 61.468 62.300 0.001 0.000 0.859 170 V CB 1.651 33.436 31.823 -0.063 0.000 0.988 170 V HN 0.613 nan 8.190 nan 0.000 0.431 171 K N 3.848 124.243 120.400 -0.008 0.000 2.244 171 K HA 0.437 4.437 4.320 -0.532 0.000 0.260 171 K C -0.233 176.365 176.600 -0.003 0.000 0.951 171 K CA -0.711 55.578 56.287 0.003 0.000 0.826 171 K CB 1.589 34.087 32.500 -0.005 0.000 1.108 171 K HN 0.855 nan 8.250 nan 0.000 0.433 172 N N 1.390 120.097 118.700 0.013 0.000 2.381 172 N HA -0.089 4.332 4.740 -0.532 0.000 0.254 172 N C 0.471 175.981 175.510 0.001 0.000 1.264 172 N CA -0.120 52.936 53.050 0.010 0.000 0.942 172 N CB 0.435 38.938 38.487 0.026 0.000 1.190 172 N HN 0.566 nan 8.380 nan 0.000 0.495 173 Q N -1.771 118.028 119.800 -0.001 0.000 2.557 173 Q HA -0.000 4.021 4.340 -0.532 0.000 0.217 173 Q C -0.548 175.450 176.000 -0.004 0.000 0.978 173 Q CA 1.074 56.875 55.803 -0.005 0.000 0.950 173 Q CB -0.151 28.584 28.738 -0.004 0.000 0.991 173 Q HN 0.485 nan 8.270 nan 0.000 0.533 174 D N -0.214 120.186 120.400 -0.001 0.000 2.398 174 D HA 0.133 4.454 4.640 -0.532 0.000 0.210 174 D C 0.917 177.213 176.300 -0.006 0.000 1.094 174 D CA 0.723 54.721 54.000 -0.003 0.000 0.839 174 D CB 0.915 41.715 40.800 0.001 0.000 0.963 174 D HN 0.464 nan 8.370 nan 0.000 0.506 175 G N 0.871 109.668 108.800 -0.006 0.000 2.176 175 G HA2 -0.208 3.433 3.960 -0.532 0.000 0.253 175 G HA3 -0.208 3.433 3.960 -0.532 0.000 0.253 175 G C 0.546 175.441 174.900 -0.008 0.000 0.979 175 G CA 0.211 45.305 45.100 -0.010 0.000 0.641 175 G HN 0.577 nan 8.290 nan 0.000 0.530 176 A N -0.253 122.567 122.820 0.001 0.000 2.316 176 A HA 0.733 4.734 4.320 -0.532 0.000 0.284 176 A C 0.482 178.080 177.584 0.023 0.000 1.115 176 A CA 0.037 52.078 52.037 0.007 0.000 0.812 176 A CB 1.262 20.271 19.000 0.015 0.000 1.064 176 A HN 1.102 nan 8.150 nan 0.000 0.489 177 V N 2.952 122.884 119.914 0.030 0.000 2.408 177 V HA 0.254 4.055 4.120 -0.532 0.000 0.267 177 V C 0.683 176.831 176.094 0.091 0.000 1.047 177 V CA 0.213 62.546 62.300 0.054 0.000 0.937 177 V CB 0.970 32.822 31.823 0.048 0.000 0.999 177 V HN 0.929 nan 8.190 nan 0.000 0.472 178 V N 2.553 122.537 119.914 0.116 0.000 2.887 178 V HA 0.890 4.691 4.120 -0.532 0.000 0.370 178 V C 0.592 176.834 176.094 0.246 0.000 1.322 178 V CA 0.358 62.755 62.300 0.160 0.000 1.267 178 V CB -0.612 31.308 31.823 0.161 0.000 1.344 178 V HN 1.245 nan 8.190 nan 0.000 0.573 179 G N -0.366 108.563 108.800 0.215 0.000 2.352 179 G HA2 0.211 3.852 3.960 -0.532 0.000 0.324 179 G HA3 0.211 3.852 3.960 -0.532 0.000 0.324 179 G C -0.471 174.591 174.900 0.269 0.000 1.249 179 G CA 0.188 45.439 45.100 0.253 0.000 1.053 179 G HN 2.031 nan 8.290 nan 0.000 0.492 180 C N -1.979 117.521 119.300 0.333 0.000 3.311 180 C HA 0.961 5.102 4.460 -0.532 0.000 0.325 180 C C 0.343 175.555 174.990 0.370 0.000 1.352 180 C CA 0.395 59.567 59.018 0.258 0.000 1.308 180 C CB 1.182 28.996 27.740 0.122 0.000 1.619 180 C HN 2.250 nan 8.230 nan 0.000 0.469 181 T N 0.249 114.958 114.554 0.259 0.000 2.909 181 T HA 0.805 4.836 4.350 -0.532 0.000 0.286 181 T C -0.140 174.735 174.700 0.291 0.000 1.002 181 T CA 0.287 62.561 62.100 0.289 0.000 1.074 181 T CB 1.385 70.359 68.868 0.177 0.000 0.984 181 T HN 2.356 nan 8.240 nan 0.000 0.495 182 A N 1.989 125.048 122.820 0.399 0.000 2.515 182 A HA 0.705 4.706 4.320 -0.532 0.000 0.298 182 A C -1.292 176.573 177.584 0.468 0.000 1.059 182 A CA -0.988 51.306 52.037 0.428 0.000 0.698 182 A CB 1.663 20.963 19.000 0.500 0.000 1.289 182 A HN 1.036 nan 8.150 nan 0.000 0.404 183 L N 2.181 123.613 121.223 0.349 0.000 2.287 183 L HA 0.609 4.630 4.340 -0.532 0.000 0.287 183 L C -0.082 176.723 176.870 -0.109 0.000 1.022 183 L CA -0.464 54.458 54.840 0.138 0.000 0.814 183 L CB 0.962 43.073 42.059 0.086 0.000 1.217 183 L HN 0.874 nan 8.230 nan 0.000 0.420 184 C N 6.479 125.433 119.300 -0.578 0.000 2.619 184 C HA 0.241 4.382 4.460 -0.532 0.000 0.389 184 C C 1.872 176.491 174.990 -0.618 0.000 1.314 184 C CA -0.402 57.860 59.018 -1.260 0.000 1.678 184 C CB -1.506 25.205 27.740 -1.715 0.000 2.398 184 C HN 0.985 nan 8.230 nan 0.000 0.582 185 I N 3.466 123.731 120.570 -0.509 0.000 2.286 185 I HA -0.152 3.699 4.170 -0.532 0.000 0.248 185 I C 2.547 178.398 176.117 -0.443 0.000 1.115 185 I CA 1.801 62.814 61.300 -0.479 0.000 1.392 185 I CB -0.379 37.271 38.000 -0.584 0.000 1.065 185 I HN 0.849 nan 8.210 nan 0.000 0.418 186 E N 0.764 120.812 120.200 -0.253 0.000 2.031 186 E HA -0.262 3.769 4.350 -0.532 0.000 0.193 186 E C 2.105 178.704 176.600 -0.003 0.000 0.994 186 E CA 2.295 58.729 56.400 0.057 0.000 0.800 186 E CB 0.020 29.796 29.700 0.127 0.000 0.752 186 E HN 0.534 nan 8.360 nan 0.000 0.447 187 T N -3.973 110.523 114.554 -0.096 0.000 3.037 187 T HA 0.281 4.312 4.350 -0.532 0.000 0.252 187 T C 1.483 176.134 174.700 -0.081 0.000 1.073 187 T CA 0.851 62.916 62.100 -0.059 0.000 1.091 187 T CB 0.619 69.464 68.868 -0.038 0.000 0.935 187 T HN 0.410 nan 8.240 nan 0.000 0.488 188 G N 1.252 109.962 108.800 -0.149 0.000 2.176 188 G HA2 -0.269 3.372 3.960 -0.532 0.000 0.253 188 G HA3 -0.269 3.372 3.960 -0.532 0.000 0.253 188 G C -0.120 174.725 174.900 -0.092 0.000 0.979 188 G CA 0.257 45.284 45.100 -0.121 0.000 0.641 188 G HN 0.866 nan 8.290 nan 0.000 0.530 189 E N 0.241 120.381 120.200 -0.099 0.000 2.413 189 E HA 0.384 4.415 4.350 -0.532 0.000 0.263 189 E C -0.160 176.442 176.600 0.003 0.000 1.015 189 E CA -0.101 56.284 56.400 -0.025 0.000 0.916 189 E CB 0.678 30.389 29.700 0.018 0.000 0.947 189 E HN 0.158 nan 8.360 nan 0.000 0.440 190 V N 5.038 125.002 119.914 0.083 0.000 2.495 190 V HA 0.382 4.183 4.120 -0.532 0.000 0.298 190 V C -0.307 175.906 176.094 0.198 0.000 1.031 190 V CA -0.585 61.805 62.300 0.151 0.000 0.871 190 V CB 1.774 33.664 31.823 0.112 0.000 0.988 190 V HN 0.503 nan 8.190 nan 0.000 0.432 191 V N 3.906 123.990 119.914 0.284 0.000 3.102 191 V HA 0.462 4.263 4.120 -0.532 0.000 0.312 191 V C -1.428 174.765 176.094 0.164 0.000 1.135 191 V CA -0.957 61.438 62.300 0.157 0.000 1.022 191 V CB 2.399 34.233 31.823 0.018 0.000 1.056 191 V HN 0.730 nan 8.190 nan 0.000 0.436 192 Y N 2.501 122.743 120.300 -0.097 0.000 2.369 192 Y HA 0.626 4.856 4.550 -0.532 0.000 0.337 192 Y C -0.959 174.838 175.900 -0.171 0.000 0.961 192 Y CA -2.120 55.953 58.100 -0.044 0.000 1.186 192 Y CB 0.769 39.221 38.460 -0.014 0.000 1.139 192 Y HN 0.451 nan 8.280 nan 0.000 0.494 193 F N 6.189 126.085 119.950 -0.089 0.000 2.421 193 F HA 0.317 4.525 4.527 -0.532 0.000 0.358 193 F C 0.516 176.060 175.800 -0.425 0.000 1.115 193 F CA -0.244 57.601 58.000 -0.258 0.000 1.160 193 F CB 0.760 39.638 39.000 -0.203 0.000 1.123 193 F HN 0.349 nan 8.300 nan 0.000 0.508 194 K N 3.650 123.783 120.400 -0.444 0.000 2.263 194 K HA 0.790 4.791 4.320 -0.532 0.000 0.272 194 K C -1.181 175.376 176.600 -0.073 0.000 1.033 194 K CA -0.388 55.624 56.287 -0.457 0.000 0.884 194 K CB 0.882 33.015 32.500 -0.611 0.000 1.107 194 K HN 0.734 nan 8.250 nan 0.000 0.460 195 A N 4.039 126.874 122.820 0.025 0.000 2.515 195 A HA 0.393 4.393 4.320 -0.532 0.000 0.298 195 A C -0.116 177.513 177.584 0.075 0.000 1.059 195 A CA -0.841 51.237 52.037 0.069 0.000 0.698 195 A CB 1.467 20.515 19.000 0.079 0.000 1.289 195 A HN 0.920 nan 8.150 nan 0.000 0.404 196 R N 0.357 120.896 120.500 0.065 0.000 2.276 196 R HA 0.317 4.338 4.340 -0.532 0.000 0.203 196 R C 0.411 176.782 176.300 0.118 0.000 1.017 196 R CA 1.295 57.442 56.100 0.079 0.000 1.010 196 R CB 0.264 30.599 30.300 0.058 0.000 0.900 196 R HN 0.791 nan 8.270 nan 0.000 0.469 197 A N 0.332 123.206 122.820 0.088 0.000 2.547 197 A HA 0.343 4.343 4.320 -0.532 0.000 0.279 197 A C -0.917 176.697 177.584 0.049 0.000 1.088 197 A CA -0.681 51.415 52.037 0.098 0.000 0.796 197 A CB 1.190 20.074 19.000 -0.193 0.000 1.308 197 A HN 0.001 nan 8.150 nan 0.000 0.415 198 T N 2.303 116.961 114.554 0.174 0.000 2.738 198 T HA 0.444 4.475 4.350 -0.532 0.000 0.298 198 T C -0.109 174.682 174.700 0.153 0.000 0.962 198 T CA -0.179 61.983 62.100 0.103 0.000 0.972 198 T CB 0.849 69.777 68.868 0.099 0.000 0.928 198 T HN 0.445 nan 8.240 nan 0.000 0.474 199 V N 5.832 125.765 119.914 0.031 0.000 2.318 199 V HA 0.290 4.091 4.120 -0.532 0.000 0.271 199 V C 0.305 176.408 176.094 0.015 0.000 1.030 199 V CA -0.745 61.584 62.300 0.050 0.000 0.844 199 V CB 0.674 32.463 31.823 -0.057 0.000 1.015 199 V HN 0.781 nan 8.190 nan 0.000 0.460 200 L N 4.607 125.854 121.223 0.040 0.000 2.360 200 L HA 0.570 4.590 4.340 -0.532 0.000 0.276 200 L C 0.630 177.493 176.870 -0.011 0.000 1.121 200 L CA 0.110 54.946 54.840 -0.006 0.000 0.845 200 L CB 1.086 43.141 42.059 -0.006 0.000 1.143 200 L HN 0.773 nan 8.230 nan 0.000 0.452 201 A N 1.392 124.192 122.820 -0.034 0.000 3.453 201 A HA 0.290 4.291 4.320 -0.532 0.000 0.262 201 A C 0.521 178.081 177.584 -0.039 0.000 1.026 201 A CA -0.240 51.781 52.037 -0.026 0.000 0.938 201 A CB 0.022 19.009 19.000 -0.022 0.000 1.246 201 A HN 0.717 nan 8.150 nan 0.000 0.546 202 T N -2.702 111.823 114.554 -0.047 0.000 3.069 202 T HA 0.489 4.520 4.350 -0.532 0.000 0.252 202 T C 1.220 175.894 174.700 -0.044 0.000 1.053 202 T CA 0.913 62.980 62.100 -0.054 0.000 0.964 202 T CB -0.040 68.786 68.868 -0.070 0.000 1.005 202 T HN 2.162 nan 8.240 nan 0.000 0.532 203 G N 0.569 109.343 108.800 -0.044 0.000 2.598 203 G HA2 0.157 3.797 3.960 -0.532 0.000 0.244 203 G HA3 0.157 3.797 3.960 -0.532 0.000 0.244 203 G C 0.224 175.064 174.900 -0.099 0.000 1.302 203 G CA -0.467 44.601 45.100 -0.053 0.000 0.903 203 G HN 0.931 nan 8.290 nan 0.000 0.575 204 G N -1.812 106.916 108.800 -0.119 0.000 2.510 204 G HA2 0.710 4.350 3.960 -0.532 0.000 0.280 204 G HA3 0.710 4.350 3.960 -0.532 0.000 0.280 204 G C 0.580 175.459 174.900 -0.036 0.000 1.386 204 G CA 0.892 45.904 45.100 -0.147 0.000 1.047 204 G HN 2.181 nan 8.290 nan 0.000 0.527 205 A N -1.358 121.523 122.820 0.102 0.000 2.579 205 A HA 0.529 4.529 4.320 -0.532 0.000 0.254 205 A C 1.504 179.190 177.584 0.170 0.000 0.873 205 A CA 0.834 52.974 52.037 0.172 0.000 1.106 205 A CB 0.075 19.223 19.000 0.247 0.000 1.222 205 A HN 1.276 nan 8.150 nan 0.000 0.470 206 G N -0.019 108.842 108.800 0.102 0.000 2.615 206 G HA2 -0.147 3.494 3.960 -0.532 0.000 0.213 206 G HA3 -0.147 3.494 3.960 -0.532 0.000 0.213 206 G C 1.209 176.080 174.900 -0.049 0.000 1.135 206 G CA 0.371 45.462 45.100 -0.015 0.000 0.772 206 G HN 0.327 nan 8.290 nan 0.000 0.542 207 R N 0.298 120.771 120.500 -0.046 0.000 2.310 207 R HA 0.126 4.146 4.340 -0.532 0.000 0.202 207 R C 2.274 178.534 176.300 -0.066 0.000 0.933 207 R CA 0.082 56.157 56.100 -0.040 0.000 1.054 207 R CB -0.315 29.974 30.300 -0.019 0.000 0.985 207 R HN 0.741 nan 8.270 nan 0.000 0.489 208 I N -3.116 117.370 120.570 -0.140 0.000 3.176 208 I HA -0.010 3.841 4.170 -0.532 0.000 0.275 208 I C 0.158 176.023 176.117 -0.420 0.000 1.298 208 I CA 0.535 61.668 61.300 -0.278 0.000 1.445 208 I CB -0.198 37.565 38.000 -0.395 0.000 1.075 208 I HN -0.205 nan 8.210 nan 0.000 0.482 209 Y N 0.618 120.782 120.300 -0.226 0.000 2.593 209 Y HA 0.312 4.545 4.550 -0.529 0.000 0.330 209 Y C 1.573 177.420 175.900 -0.088 0.000 1.223 209 Y CA -0.421 57.582 58.100 -0.161 0.000 1.350 209 Y CB 0.644 38.994 38.460 -0.184 0.000 1.499 209 Y HN -0.159 nan 8.280 nan 0.000 0.554 210 Q N -0.272 119.628 119.800 0.165 0.000 2.373 210 Q HA 0.128 4.149 4.340 -0.532 0.000 0.210 210 Q C -0.310 175.740 176.000 0.082 0.000 0.913 210 Q CA 0.285 56.135 55.803 0.079 0.000 0.911 210 Q CB 0.592 29.364 28.738 0.056 0.000 1.040 210 Q HN 0.449 nan 8.270 nan 0.000 0.521 211 S N -0.265 115.500 115.700 0.107 0.000 2.594 211 S HA 0.538 4.689 4.470 -0.532 0.000 0.296 211 S C -1.133 173.488 174.600 0.035 0.000 1.124 211 S CA -0.443 57.797 58.200 0.066 0.000 1.011 211 S CB 1.832 65.082 63.200 0.084 0.000 1.016 211 S HN 0.183 nan 8.310 nan 0.000 0.485 212 T N 1.290 115.839 114.554 -0.009 0.000 2.894 212 T HA 0.454 4.485 4.350 -0.532 0.000 0.309 212 T C 1.084 175.759 174.700 -0.041 0.000 1.208 212 T CA 0.120 62.197 62.100 -0.040 0.000 1.016 212 T CB 1.358 70.185 68.868 -0.067 0.000 1.192 212 T HN 0.735 nan 8.240 nan 0.000 0.491 213 T N 0.545 115.101 114.554 0.004 0.000 3.085 213 T HA 0.182 4.213 4.350 -0.532 0.000 0.263 213 T C 0.660 175.362 174.700 0.003 0.000 1.127 213 T CA 0.180 62.304 62.100 0.039 0.000 1.103 213 T CB -0.644 68.344 68.868 0.199 0.000 0.921 213 T HN 0.601 nan 8.240 nan 0.000 0.510 214 N N 1.556 120.176 118.700 -0.135 0.000 2.508 214 N HA 0.467 4.887 4.740 -0.532 0.000 0.264 214 N C 0.208 175.537 175.510 -0.301 0.000 1.216 214 N CA -0.449 52.364 53.050 -0.395 0.000 0.943 214 N CB 0.656 38.924 38.487 -0.365 0.000 1.113 214 N HN 0.433 nan 8.380 nan 0.000 0.447 215 A N 1.219 123.835 122.820 -0.340 0.000 2.429 215 A HA -0.032 3.969 4.320 -0.532 0.000 0.242 215 A C 1.017 178.527 177.584 -0.124 0.000 1.088 215 A CA -0.070 51.905 52.037 -0.103 0.000 0.784 215 A CB 0.107 19.165 19.000 0.097 0.000 1.038 215 A HN 0.795 nan 8.150 nan 0.000 0.501 216 H N 0.617 119.685 119.070 -0.003 0.000 2.489 216 H HA -0.133 4.105 4.556 -0.531 0.000 0.293 216 H C 1.672 176.996 175.328 -0.006 0.000 1.066 216 H CA 2.183 58.229 56.048 -0.005 0.000 1.305 216 H CB -0.090 29.680 29.762 0.012 0.000 1.386 216 H HN 0.707 nan 8.280 nan 0.000 0.551 217 I N -1.486 119.152 120.570 0.114 0.000 3.684 217 I HA 0.060 3.911 4.170 -0.532 0.000 0.304 217 I C -0.273 175.865 176.117 0.034 0.000 1.278 217 I CA 0.097 61.446 61.300 0.082 0.000 1.272 217 I CB -0.118 37.936 38.000 0.089 0.000 1.029 217 I HN -0.185 nan 8.210 nan 0.000 0.458 218 N N 2.554 121.243 118.700 -0.019 0.000 2.968 218 N HA 0.114 4.535 4.740 -0.532 0.000 0.271 218 N C 0.488 175.991 175.510 -0.012 0.000 1.174 218 N CA 0.252 53.271 53.050 -0.051 0.000 1.096 218 N CB 0.428 38.824 38.487 -0.151 0.000 1.403 218 N HN 0.385 nan 8.380 nan 0.000 0.522 219 T N -2.724 111.841 114.554 0.018 0.000 3.293 219 T HA 0.279 4.310 4.350 -0.532 0.000 0.276 219 T C 1.147 175.870 174.700 0.037 0.000 1.003 219 T CA -0.379 61.740 62.100 0.031 0.000 0.916 219 T CB -0.220 68.678 68.868 0.050 0.000 1.134 219 T HN 0.361 nan 8.240 nan 0.000 0.530 220 G N 2.147 110.966 108.800 0.031 0.000 2.402 220 G HA2 -0.309 3.332 3.960 -0.532 0.000 0.300 220 G HA3 -0.309 3.332 3.960 -0.532 0.000 0.300 220 G C 0.671 175.581 174.900 0.017 0.000 0.987 220 G CA 0.530 45.647 45.100 0.027 0.000 0.881 220 G HN 0.547 nan 8.290 nan 0.000 0.512 221 D N 0.057 120.464 120.400 0.011 0.000 2.172 221 D HA -0.146 4.175 4.640 -0.532 0.000 0.196 221 D C 2.403 178.688 176.300 -0.025 0.000 0.999 221 D CA 1.752 55.751 54.000 -0.002 0.000 0.856 221 D CB -0.596 40.169 40.800 -0.057 0.000 0.934 221 D HN 0.568 nan 8.370 nan 0.000 0.453 222 G N 0.391 109.170 108.800 -0.036 0.000 2.403 222 G HA2 -0.139 3.502 3.960 -0.532 0.000 0.216 222 G HA3 -0.139 3.502 3.960 -0.532 0.000 0.216 222 G C 1.895 176.783 174.900 -0.019 0.000 1.154 222 G CA 0.522 45.599 45.100 -0.038 0.000 0.784 222 G HN 0.245 nan 8.290 nan 0.000 0.538 223 V N 1.536 121.442 119.914 -0.012 0.000 2.358 223 V HA -0.035 3.766 4.120 -0.532 0.000 0.246 223 V C 3.117 179.225 176.094 0.023 0.000 1.047 223 V CA 1.953 64.254 62.300 0.000 0.000 1.035 223 V CB -1.024 30.800 31.823 0.002 0.000 0.658 223 V HN 0.409 nan 8.190 nan 0.000 0.452 224 G N -0.572 108.245 108.800 0.028 0.000 2.433 224 G HA2 -0.277 3.364 3.960 -0.532 0.000 0.216 224 G HA3 -0.277 3.364 3.960 -0.532 0.000 0.216 224 G C 1.651 176.575 174.900 0.040 0.000 1.186 224 G CA 1.155 46.281 45.100 0.044 0.000 0.779 224 G HN 0.397 nan 8.290 nan 0.000 0.543 225 M N 0.804 120.419 119.600 0.025 0.000 2.106 225 M HA -0.094 4.066 4.480 -0.532 0.000 0.259 225 M C 3.011 179.322 176.300 0.019 0.000 1.068 225 M CA 1.558 56.869 55.300 0.019 0.000 1.100 225 M CB -0.244 32.354 32.600 -0.004 0.000 1.351 225 M HN 0.346 nan 8.290 nan 0.000 0.404 226 A N 0.447 123.275 122.820 0.014 0.000 1.873 226 A HA -0.123 3.878 4.320 -0.532 0.000 0.215 226 A C 2.059 179.659 177.584 0.028 0.000 1.186 226 A CA 1.366 53.411 52.037 0.013 0.000 0.616 226 A CB -0.845 18.158 19.000 0.005 0.000 0.823 226 A HN 0.435 nan 8.150 nan 0.000 0.442 227 I N -0.708 119.893 120.570 0.052 0.000 2.163 227 I HA -0.301 3.549 4.170 -0.532 0.000 0.243 227 I C 2.687 178.835 176.117 0.052 0.000 1.085 227 I CA 1.559 62.908 61.300 0.083 0.000 1.347 227 I CB -0.333 37.748 38.000 0.134 0.000 1.044 227 I HN 0.304 nan 8.210 nan 0.000 0.408 228 R N 0.436 120.961 120.500 0.042 0.000 2.241 228 R HA -0.070 3.950 4.340 -0.532 0.000 0.224 228 R C 2.004 178.313 176.300 0.015 0.000 1.101 228 R CA 1.096 57.212 56.100 0.028 0.000 0.995 228 R CB -0.218 30.102 30.300 0.033 0.000 0.870 228 R HN 0.366 nan 8.270 nan 0.000 0.463 229 A N -0.271 122.557 122.820 0.014 0.000 2.238 229 A HA 0.249 4.249 4.320 -0.532 0.000 0.210 229 A C 1.364 178.945 177.584 -0.005 0.000 1.179 229 A CA 0.728 52.767 52.037 0.004 0.000 0.827 229 A CB 0.272 19.275 19.000 0.006 0.000 0.856 229 A HN 0.391 nan 8.150 nan 0.000 0.488 230 G N -1.616 107.181 108.800 -0.005 0.000 2.144 230 G HA2 -0.162 3.479 3.960 -0.532 0.000 0.218 230 G HA3 -0.162 3.479 3.960 -0.532 0.000 0.218 230 G C 0.039 174.923 174.900 -0.027 0.000 0.988 230 G CA 0.037 45.125 45.100 -0.021 0.000 0.659 230 G HN 0.746 nan 8.290 nan 0.000 0.522 231 V N 3.084 122.990 119.914 -0.013 0.000 2.407 231 V HA 0.478 4.279 4.120 -0.532 0.000 0.278 231 V C -1.224 174.867 176.094 -0.004 0.000 1.037 231 V CA -1.530 60.759 62.300 -0.020 0.000 0.900 231 V CB 1.557 33.367 31.823 -0.021 0.000 0.983 231 V HN 0.213 nan 8.190 nan 0.000 0.459 232 P HA 0.192 nan 4.420 nan 0.000 0.269 232 P C -0.590 176.729 177.300 0.032 0.000 1.215 232 P CA 0.147 63.248 63.100 0.003 0.000 0.780 232 P CB 1.122 32.804 31.700 -0.030 0.000 0.898 233 V N -0.825 119.145 119.914 0.095 0.000 3.019 233 V HA 0.686 4.487 4.120 -0.532 0.000 0.317 233 V C -0.513 175.604 176.094 0.038 0.000 1.094 233 V CA -0.943 61.385 62.300 0.047 0.000 1.000 233 V CB 1.606 33.455 31.823 0.043 0.000 1.060 233 V HN 0.642 nan 8.190 nan 0.000 0.443 234 Q N 0.246 120.034 119.800 -0.020 0.000 2.372 234 Q HA 0.396 4.417 4.340 -0.532 0.000 0.273 234 Q C -0.967 175.014 176.000 -0.031 0.000 1.078 234 Q CA -0.388 55.403 55.803 -0.021 0.000 0.806 234 Q CB 1.921 30.610 28.738 -0.080 0.000 1.332 234 Q HN 0.948 nan 8.270 nan 0.000 0.435 235 D N 3.080 123.498 120.400 0.030 0.000 2.751 235 D HA -0.195 4.126 4.640 -0.532 0.000 0.233 235 D C 0.615 176.886 176.300 -0.049 0.000 1.149 235 D CA 0.766 54.785 54.000 0.032 0.000 0.682 235 D CB -0.253 40.582 40.800 0.058 0.000 1.068 235 D HN 0.676 nan 8.370 nan 0.000 0.429 236 M N -0.243 119.324 119.600 -0.054 0.000 2.632 236 M HA -0.119 4.042 4.480 -0.532 0.000 0.256 236 M C 1.987 178.270 176.300 -0.027 0.000 1.080 236 M CA 1.137 56.378 55.300 -0.098 0.000 1.084 236 M CB -0.286 32.265 32.600 -0.083 0.000 1.439 236 M HN 0.279 nan 8.290 nan 0.000 0.509 237 E N -0.676 119.527 120.200 0.005 0.000 2.447 237 E HA -0.011 4.020 4.350 -0.532 0.000 0.195 237 E C 0.235 176.946 176.600 0.185 0.000 1.028 237 E CA 0.193 56.663 56.400 0.117 0.000 0.876 237 E CB 0.011 29.679 29.700 -0.053 0.000 0.885 237 E HN 0.275 nan 8.360 nan 0.000 0.500 238 M N 1.461 121.081 119.600 0.034 0.000 2.557 238 M HA 0.203 4.364 4.480 -0.532 0.000 0.328 238 M C -1.265 175.015 176.300 -0.033 0.000 1.423 238 M CA 0.142 55.482 55.300 0.065 0.000 1.418 238 M CB -1.254 31.366 32.600 0.034 0.000 1.381 238 M HN 0.067 nan 8.290 nan 0.000 0.467 239 W N 2.134 123.509 121.300 0.126 0.000 2.475 239 W HA 0.417 4.756 4.660 -0.535 0.000 0.317 239 W C 0.395 176.917 176.519 0.004 0.000 1.046 239 W CA -0.530 56.825 57.345 0.016 0.000 1.215 239 W CB 1.134 30.571 29.460 -0.038 0.000 1.335 239 W HN 0.477 nan 8.180 nan 0.000 0.471 240 Q N 3.612 123.533 119.800 0.203 0.000 2.294 240 Q HA 0.358 4.379 4.340 -0.532 0.000 0.257 240 Q C -1.387 174.660 176.000 0.078 0.000 0.955 240 Q CA -0.279 55.639 55.803 0.193 0.000 0.936 240 Q CB 0.527 29.391 28.738 0.209 0.000 1.188 240 Q HN 0.424 nan 8.270 nan 0.000 0.420 241 F N 3.564 123.575 119.950 0.101 0.000 2.371 241 F HA 0.194 4.406 4.527 -0.525 0.000 0.363 241 F C 0.618 176.441 175.800 0.038 0.000 1.122 241 F CA -0.803 57.231 58.000 0.057 0.000 1.129 241 F CB 0.736 39.711 39.000 -0.041 0.000 1.173 241 F HN 0.594 nan 8.300 nan 0.000 0.489 242 H N 6.468 125.582 119.070 0.074 0.000 3.034 242 H HA 0.015 4.251 4.556 -0.533 0.000 0.324 242 H C -1.545 173.758 175.328 -0.041 0.000 1.015 242 H CA -1.193 54.793 56.048 -0.103 0.000 1.429 242 H CB 1.512 31.043 29.762 -0.386 0.000 1.429 242 H HN 0.358 nan 8.280 nan 0.000 0.585 243 P HA -0.122 nan 4.420 nan 0.000 0.216 243 P C 0.434 177.805 177.300 0.118 0.000 1.153 243 P CA 1.537 64.633 63.100 -0.006 0.000 0.858 243 P CB 0.070 31.694 31.700 -0.127 0.000 0.789 244 T N -2.316 112.410 114.554 0.286 0.000 3.332 244 T HA 0.623 4.654 4.350 -0.532 0.000 0.385 244 T C 0.467 175.184 174.700 0.029 0.000 1.695 244 T CA -0.851 61.328 62.100 0.131 0.000 1.397 244 T CB 0.311 69.224 68.868 0.075 0.000 1.100 244 T HN 0.026 nan 8.240 nan 0.000 0.669 245 G N 1.850 110.666 108.800 0.025 0.000 2.451 245 G HA2 0.612 4.252 3.960 -0.532 0.000 0.303 245 G HA3 0.612 4.252 3.960 -0.532 0.000 0.303 245 G C -0.081 174.809 174.900 -0.017 0.000 1.166 245 G CA -1.169 43.915 45.100 -0.027 0.000 0.884 245 G HN 0.780 nan 8.290 nan 0.000 0.514 246 I N 1.624 122.176 120.570 -0.030 0.000 2.517 246 I HA 0.160 4.011 4.170 -0.532 0.000 0.285 246 I C 1.273 177.405 176.117 0.026 0.000 1.106 246 I CA -0.260 61.030 61.300 -0.015 0.000 1.402 246 I CB 0.921 38.928 38.000 0.013 0.000 1.399 246 I HN 0.515 nan 8.210 nan 0.000 0.535 247 A N 5.166 127.993 122.820 0.011 0.000 2.546 247 A HA 0.354 4.355 4.320 -0.532 0.000 0.243 247 A C 1.344 179.039 177.584 0.186 0.000 1.063 247 A CA 0.494 52.584 52.037 0.088 0.000 0.757 247 A CB -0.283 18.751 19.000 0.056 0.000 0.991 247 A HN 1.244 nan 8.150 nan 0.000 0.503 248 G N 0.600 109.501 108.800 0.169 0.000 2.203 248 G HA2 0.059 3.699 3.960 -0.532 0.000 0.263 248 G HA3 0.059 3.699 3.960 -0.532 0.000 0.263 248 G C 0.689 175.677 174.900 0.148 0.000 1.012 248 G CA 1.246 46.445 45.100 0.166 0.000 0.749 248 G HN 2.164 nan 8.290 nan 0.000 0.512 249 A N -2.645 120.240 122.820 0.110 0.000 1.757 249 A HA 0.677 4.678 4.320 -0.532 0.000 0.205 249 A C 2.537 180.107 177.584 -0.023 0.000 1.791 249 A CA 1.773 53.849 52.037 0.065 0.000 1.282 249 A CB -0.312 18.743 19.000 0.092 0.000 1.297 249 A HN 2.259 nan 8.150 nan 0.000 0.422 250 G N -0.873 107.916 108.800 -0.017 0.000 2.241 250 G HA2 -0.197 3.443 3.960 -0.532 0.000 0.244 250 G HA3 -0.197 3.443 3.960 -0.532 0.000 0.244 250 G C 0.369 175.216 174.900 -0.088 0.000 0.998 250 G CA 0.214 45.291 45.100 -0.037 0.000 0.621 250 G HN 1.140 nan 8.290 nan 0.000 0.519 251 V N 2.515 122.327 119.914 -0.171 0.000 2.485 251 V HA 0.389 4.190 4.120 -0.532 0.000 0.287 251 V C 1.088 177.100 176.094 -0.136 0.000 1.022 251 V CA 0.297 62.460 62.300 -0.229 0.000 1.067 251 V CB 1.136 32.664 31.823 -0.491 0.000 0.967 251 V HN 0.645 nan 8.190 nan 0.000 0.479 252 L N 8.303 129.459 121.223 -0.111 0.000 2.456 252 L HA 0.435 4.456 4.340 -0.532 0.000 0.272 252 L C 0.011 176.802 176.870 -0.132 0.000 1.189 252 L CA 0.448 55.197 54.840 -0.150 0.000 0.846 252 L CB 1.124 43.086 42.059 -0.161 0.000 1.111 252 L HN 0.563 nan 8.230 nan 0.000 0.475 253 V N 1.839 121.661 119.914 -0.153 0.000 2.513 253 V HA 0.491 4.292 4.120 -0.532 0.000 0.299 253 V C 0.334 176.358 176.094 -0.117 0.000 1.035 253 V CA -0.437 61.804 62.300 -0.097 0.000 0.889 253 V CB 1.033 32.818 31.823 -0.063 0.000 0.988 253 V HN 0.928 nan 8.190 nan 0.000 0.440 254 T N 1.761 116.285 114.554 -0.050 0.000 2.932 254 T HA 0.042 4.072 4.350 -0.532 0.000 0.312 254 T C 1.008 175.704 174.700 -0.006 0.000 1.071 254 T CA 0.959 63.063 62.100 0.006 0.000 1.128 254 T CB 0.657 69.582 68.868 0.095 0.000 0.984 254 T HN 1.121 nan 8.240 nan 0.000 0.549 255 E N 2.203 122.397 120.200 -0.009 0.000 2.409 255 E HA -0.018 4.013 4.350 -0.532 0.000 0.198 255 E C 1.969 178.241 176.600 -0.547 0.000 1.024 255 E CA 0.882 57.087 56.400 -0.325 0.000 0.861 255 E CB -0.664 28.673 29.700 -0.605 0.000 0.788 255 E HN 0.905 nan 8.360 nan 0.000 0.521 256 G N 0.234 108.895 108.800 -0.231 0.000 2.470 256 G HA2 -0.275 3.366 3.960 -0.532 0.000 0.220 256 G HA3 -0.275 3.366 3.960 -0.532 0.000 0.220 256 G C 1.516 176.406 174.900 -0.018 0.000 1.121 256 G CA 0.790 45.903 45.100 0.021 0.000 0.766 256 G HN 0.398 nan 8.290 nan 0.000 0.553 257 C N 0.129 119.397 119.300 -0.054 0.000 2.425 257 C HA 0.027 4.167 4.460 -0.532 0.000 0.277 257 C C 2.891 177.839 174.990 -0.069 0.000 1.280 257 C CA 0.728 59.712 59.018 -0.055 0.000 1.744 257 C CB -0.665 27.036 27.740 -0.065 0.000 1.989 257 C HN 0.487 nan 8.230 nan 0.000 0.491 258 R N 0.296 120.732 120.500 -0.107 0.000 2.173 258 R HA 0.056 4.076 4.340 -0.532 0.000 0.208 258 R C 2.442 178.701 176.300 -0.068 0.000 1.035 258 R CA 1.093 57.142 56.100 -0.086 0.000 1.004 258 R CB -0.576 29.649 30.300 -0.124 0.000 0.917 258 R HN 0.555 nan 8.270 nan 0.000 0.462 259 G N 1.210 109.943 108.800 -0.111 0.000 2.509 259 G HA2 -0.185 3.455 3.960 -0.532 0.000 0.218 259 G HA3 -0.185 3.455 3.960 -0.532 0.000 0.218 259 G C 1.185 176.117 174.900 0.053 0.000 1.124 259 G CA 0.329 45.413 45.100 -0.026 0.000 0.776 259 G HN 0.179 nan 8.290 nan 0.000 0.547 260 E N -0.308 119.922 120.200 0.049 0.000 2.472 260 E HA 0.188 4.219 4.350 -0.532 0.000 0.196 260 E C 1.655 178.294 176.600 0.065 0.000 1.033 260 E CA 0.613 57.059 56.400 0.076 0.000 0.886 260 E CB 0.679 30.419 29.700 0.067 0.000 0.944 260 E HN 0.437 nan 8.360 nan 0.000 0.492 261 G N 0.817 109.659 108.800 0.069 0.000 2.234 261 G HA2 -0.146 3.494 3.960 -0.532 0.000 0.153 261 G HA3 -0.146 3.494 3.960 -0.532 0.000 0.153 261 G C 0.550 175.585 174.900 0.225 0.000 1.013 261 G CA -0.311 44.877 45.100 0.147 0.000 0.712 261 G HN 0.384 nan 8.290 nan 0.000 0.491 262 G N -0.009 108.833 108.800 0.070 0.000 2.476 262 G HA2 0.716 4.357 3.960 -0.532 0.000 0.269 262 G HA3 0.716 4.357 3.960 -0.532 0.000 0.269 262 G C -0.289 174.650 174.900 0.065 0.000 1.195 262 G CA -0.003 45.093 45.100 -0.005 0.000 0.843 262 G HN 1.161 nan 8.290 nan 0.000 0.545 263 Y N -1.271 119.064 120.300 0.059 0.000 2.609 263 Y HA 0.710 4.934 4.550 -0.543 0.000 0.342 263 Y C -0.689 175.183 175.900 -0.048 0.000 1.058 263 Y CA -1.776 56.305 58.100 -0.032 0.000 1.055 263 Y CB 1.339 39.768 38.460 -0.051 0.000 1.292 263 Y HN 0.374 nan 8.280 nan 0.000 0.476 264 L N 3.163 124.411 121.223 0.042 0.000 2.292 264 L HA 0.531 4.552 4.340 -0.532 0.000 0.284 264 L C -0.649 176.267 176.870 0.078 0.000 1.065 264 L CA -0.508 54.317 54.840 -0.026 0.000 0.806 264 L CB 1.066 42.996 42.059 -0.215 0.000 1.175 264 L HN 0.545 nan 8.230 nan 0.000 0.431 265 L N 2.932 124.307 121.223 0.253 0.000 2.342 265 L HA 0.519 4.539 4.340 -0.532 0.000 0.271 265 L C -0.238 176.875 176.870 0.405 0.000 1.008 265 L CA -0.942 54.106 54.840 0.347 0.000 0.818 265 L CB 1.882 44.079 42.059 0.230 0.000 1.296 265 L HN 0.653 nan 8.230 nan 0.000 0.427 266 N N 1.192 120.106 118.700 0.357 0.000 2.566 266 N HA 0.153 4.573 4.740 -0.532 0.000 0.299 266 N C 0.469 175.962 175.510 -0.028 0.000 1.277 266 N CA -0.794 52.288 53.050 0.053 0.000 0.965 266 N CB 0.336 38.748 38.487 -0.125 0.000 1.142 266 N HN 0.599 nan 8.380 nan 0.000 0.596 267 K N -1.177 119.107 120.400 -0.194 0.000 2.360 267 K HA -0.131 3.870 4.320 -0.532 0.000 0.201 267 K C 0.409 176.887 176.600 -0.204 0.000 1.046 267 K CA 1.395 57.535 56.287 -0.244 0.000 0.945 267 K CB -0.499 31.787 32.500 -0.355 0.000 0.750 267 K HN 0.624 nan 8.250 nan 0.000 0.464 268 H N -0.674 118.414 119.070 0.030 0.000 2.551 268 H HA 0.215 4.447 4.556 -0.540 0.000 0.271 268 H C 0.755 176.119 175.328 0.060 0.000 0.984 268 H CA 0.079 56.150 56.048 0.039 0.000 1.164 268 H CB 1.097 30.878 29.762 0.032 0.000 1.437 268 H HN 0.521 nan 8.280 nan 0.000 0.550 269 G N 1.228 110.128 108.800 0.167 0.000 2.136 269 G HA2 -0.314 3.327 3.960 -0.532 0.000 0.242 269 G HA3 -0.314 3.327 3.960 -0.532 0.000 0.242 269 G C 0.022 175.025 174.900 0.172 0.000 0.989 269 G CA 0.147 45.342 45.100 0.157 0.000 0.682 269 G HN 0.515 nan 8.290 nan 0.000 0.522 270 E N 0.281 120.606 120.200 0.209 0.000 2.259 270 E HA 0.327 4.358 4.350 -0.532 0.000 0.281 270 E C 0.789 177.538 176.600 0.248 0.000 1.037 270 E CA -0.836 55.684 56.400 0.200 0.000 0.854 270 E CB 0.327 30.157 29.700 0.217 0.000 1.051 270 E HN 0.320 nan 8.360 nan 0.000 0.409 271 R N 5.537 126.109 120.500 0.121 0.000 3.206 271 R HA -0.003 4.018 4.340 -0.532 0.000 0.209 271 R C 0.611 176.918 176.300 0.012 0.000 1.632 271 R CA -0.078 56.039 56.100 0.029 0.000 1.234 271 R CB -0.679 29.531 30.300 -0.150 0.000 1.270 271 R HN 0.555 nan 8.270 nan 0.000 0.665 272 F N 0.933 120.956 119.950 0.122 0.000 2.583 272 F HA -0.068 4.549 4.527 0.150 0.000 0.297 272 F C 1.159 177.114 175.800 0.258 0.000 1.131 272 F CA 0.136 58.243 58.000 0.178 0.000 1.467 272 F CB -0.101 39.048 39.000 0.250 0.000 1.097 272 F HN 0.271 nan 8.300 nan 0.000 0.586 273 M N 0.968 120.389 119.600 -0.298 0.000 2.419 273 M HA -0.053 4.108 4.480 -0.532 0.000 0.264 273 M C 1.836 178.150 176.300 0.023 0.000 1.082 273 M CA 0.999 56.229 55.300 -0.116 0.000 1.119 273 M CB -1.027 31.407 32.600 -0.276 0.000 1.398 273 M HN 0.354 nan 8.290 nan 0.000 0.453 274 E N -0.594 119.597 120.200 -0.015 0.000 2.265 274 E HA -0.177 3.853 4.350 -0.532 0.000 0.196 274 E C 2.117 178.726 176.600 0.015 0.000 0.996 274 E CA 0.738 57.134 56.400 -0.007 0.000 0.832 274 E CB 0.024 29.700 29.700 -0.039 0.000 0.756 274 E HN 0.409 nan 8.360 nan 0.000 0.491 275 R N -0.326 120.190 120.500 0.028 0.000 2.057 275 R HA -0.072 3.949 4.340 -0.532 0.000 0.224 275 R C 1.732 177.990 176.300 -0.070 0.000 1.136 275 R CA 1.017 57.081 56.100 -0.061 0.000 0.968 275 R CB -0.035 30.176 30.300 -0.148 0.000 0.863 275 R HN 0.173 nan 8.270 nan 0.000 0.433 276 Y N -0.597 119.761 120.300 0.096 0.000 2.352 276 Y HA 0.088 4.250 4.550 -0.646 0.000 0.292 276 Y C 0.570 176.521 175.900 0.086 0.000 1.136 276 Y CA 0.825 58.987 58.100 0.105 0.000 1.227 276 Y CB 0.350 38.895 38.460 0.142 0.000 0.991 276 Y HN 0.110 nan 8.280 nan 0.000 0.545 277 A N -0.894 122.047 122.820 0.202 0.000 2.855 277 A HA 0.428 4.428 4.320 -0.532 0.000 0.313 277 A C -2.244 175.397 177.584 0.095 0.000 1.173 277 A CA -1.156 50.974 52.037 0.156 0.000 0.753 277 A CB 0.498 19.593 19.000 0.159 0.000 1.200 277 A HN -0.049 nan 8.150 nan 0.000 0.442 278 P HA -0.182 nan 4.420 nan 0.000 0.215 278 P C 1.260 178.579 177.300 0.032 0.000 1.157 278 P CA 1.558 64.679 63.100 0.036 0.000 0.874 278 P CB 0.285 32.002 31.700 0.028 0.000 0.790 279 N N -0.545 118.186 118.700 0.051 0.000 2.124 279 N HA -0.044 4.377 4.740 -0.532 0.000 0.188 279 N C 1.765 177.305 175.510 0.050 0.000 1.045 279 N CA 1.468 54.544 53.050 0.044 0.000 0.846 279 N CB -0.958 37.560 38.487 0.051 0.000 1.020 279 N HN 0.027 nan 8.380 nan 0.000 0.432 280 A N 0.911 123.787 122.820 0.093 0.000 2.119 280 A HA -0.029 3.971 4.320 -0.532 0.000 0.217 280 A C 1.016 178.612 177.584 0.019 0.000 1.153 280 A CA 0.642 52.725 52.037 0.078 0.000 0.692 280 A CB -0.209 18.883 19.000 0.153 0.000 0.799 280 A HN 0.346 nan 8.150 nan 0.000 0.458 281 K N -1.650 118.761 120.400 0.020 0.000 1.699 281 K HA -0.284 3.717 4.320 -0.532 0.000 0.127 281 K C 0.276 176.844 176.600 -0.054 0.000 1.157 281 K CA 2.012 58.289 56.287 -0.017 0.000 0.341 281 K CB -1.336 31.144 32.500 -0.034 0.000 0.645 281 K HN 0.412 nan 8.250 nan 0.000 0.848 282 D N 0.849 121.206 120.400 -0.071 0.000 2.363 282 D HA 0.080 4.400 4.640 -0.532 0.000 0.226 282 D C 0.670 176.897 176.300 -0.121 0.000 1.020 282 D CA 0.627 54.565 54.000 -0.103 0.000 0.892 282 D CB 0.063 40.821 40.800 -0.070 0.000 0.900 282 D HN 0.184 nan 8.370 nan 0.000 0.531 283 L N 0.248 121.407 121.223 -0.106 0.000 3.017 283 L HA 0.411 4.432 4.340 -0.532 0.000 0.255 283 L C 0.770 177.530 176.870 -0.183 0.000 1.247 283 L CA -0.560 54.200 54.840 -0.133 0.000 1.038 283 L CB 0.173 42.187 42.059 -0.075 0.000 1.380 283 L HN -0.013 nan 8.230 nan 0.000 0.548 284 A N 0.014 122.692 122.820 -0.237 0.000 2.292 284 A HA 0.532 4.533 4.320 -0.532 0.000 0.265 284 A C 0.986 178.117 177.584 -0.754 0.000 1.133 284 A CA 0.300 52.035 52.037 -0.503 0.000 0.807 284 A CB -0.124 18.704 19.000 -0.287 0.000 1.102 284 A HN 0.289 nan 8.150 nan 0.000 0.502 285 G N -1.178 106.748 108.800 -1.458 0.000 2.670 285 G HA2 0.178 3.818 3.960 -0.532 0.000 0.233 285 G HA3 0.178 3.818 3.960 -0.532 0.000 0.233 285 G C 0.759 175.440 174.900 -0.366 0.000 1.251 285 G CA 0.037 44.678 45.100 -0.765 0.000 0.849 285 G HN 0.788 nan 8.290 nan 0.000 0.588 286 R N 0.063 120.424 120.500 -0.232 0.000 2.073 286 R HA -0.081 3.940 4.340 -0.532 0.000 0.229 286 R C 2.447 178.670 176.300 -0.127 0.000 1.120 286 R CA 1.457 57.437 56.100 -0.200 0.000 0.967 286 R CB -0.105 30.078 30.300 -0.195 0.000 0.862 286 R HN 0.820 nan 8.270 nan 0.000 0.436 287 D N 0.213 120.573 120.400 -0.066 0.000 2.149 287 D HA -0.135 4.186 4.640 -0.532 0.000 0.198 287 D C 1.757 178.019 176.300 -0.063 0.000 0.990 287 D CA 1.087 55.069 54.000 -0.031 0.000 0.839 287 D CB -0.412 40.400 40.800 0.019 0.000 0.948 287 D HN 0.075 nan 8.370 nan 0.000 0.460 288 V N 0.865 120.745 119.914 -0.058 0.000 2.283 288 V HA -0.187 3.613 4.120 -0.532 0.000 0.243 288 V C 2.976 179.022 176.094 -0.080 0.000 1.039 288 V CA 1.189 63.470 62.300 -0.032 0.000 1.016 288 V CB -0.359 31.479 31.823 0.025 0.000 0.650 288 V HN 0.094 nan 8.190 nan 0.000 0.449 289 V N 0.591 120.435 119.914 -0.118 0.000 2.392 289 V HA -0.284 3.517 4.120 -0.532 0.000 0.249 289 V C 2.694 178.731 176.094 -0.095 0.000 1.059 289 V CA 1.993 64.224 62.300 -0.116 0.000 1.051 289 V CB -1.261 30.470 31.823 -0.153 0.000 0.658 289 V HN 0.553 nan 8.190 nan 0.000 0.455 290 A N -0.062 122.693 122.820 -0.108 0.000 1.858 290 A HA -0.230 3.771 4.320 -0.532 0.000 0.216 290 A C 2.421 179.912 177.584 -0.154 0.000 1.190 290 A CA 1.914 53.889 52.037 -0.105 0.000 0.617 290 A CB -0.510 18.436 19.000 -0.090 0.000 0.827 290 A HN 0.477 nan 8.150 nan 0.000 0.443 291 R N -0.352 120.029 120.500 -0.199 0.000 2.075 291 R HA -0.071 3.950 4.340 -0.532 0.000 0.232 291 R C 2.587 178.827 176.300 -0.101 0.000 1.126 291 R CA 1.448 57.418 56.100 -0.218 0.000 0.963 291 R CB -0.347 29.843 30.300 -0.184 0.000 0.858 291 R HN 0.541 nan 8.270 nan 0.000 0.435 292 S N 1.105 116.669 115.700 -0.227 0.000 2.353 292 S HA -0.140 4.011 4.470 -0.532 0.000 0.222 292 S C 1.963 176.387 174.600 -0.293 0.000 1.035 292 S CA 1.261 59.118 58.200 -0.572 0.000 1.025 292 S CB -0.218 62.592 63.200 -0.650 0.000 0.902 292 S HN 0.247 nan 8.310 nan 0.000 0.440 293 I N 1.052 121.596 120.570 -0.043 0.000 2.286 293 I HA -0.179 3.671 4.170 -0.532 0.000 0.248 293 I C 2.230 178.293 176.117 -0.089 0.000 1.115 293 I CA 0.939 62.227 61.300 -0.020 0.000 1.392 293 I CB -0.329 37.726 38.000 0.091 0.000 1.065 293 I HN 0.291 nan 8.210 nan 0.000 0.418 294 M N 0.052 119.629 119.600 -0.038 0.000 2.254 294 M HA -0.078 4.082 4.480 -0.532 0.000 0.265 294 M C 2.350 178.710 176.300 0.100 0.000 1.066 294 M CA 1.622 56.947 55.300 0.042 0.000 1.123 294 M CB -0.738 31.902 32.600 0.068 0.000 1.388 294 M HN 0.204 nan 8.290 nan 0.000 0.425 295 I N -0.273 120.353 120.570 0.093 0.000 2.202 295 I HA -0.242 3.609 4.170 -0.532 0.000 0.242 295 I C 2.290 178.402 176.117 -0.009 0.000 1.091 295 I CA 0.872 62.219 61.300 0.078 0.000 1.368 295 I CB -0.420 37.659 38.000 0.131 0.000 1.058 295 I HN 0.215 nan 8.210 nan 0.000 0.410 296 E N 0.893 121.020 120.200 -0.122 0.000 2.130 296 E HA -0.221 3.809 4.350 -0.532 0.000 0.196 296 E C 2.220 178.717 176.600 -0.172 0.000 0.998 296 E CA 1.423 57.688 56.400 -0.225 0.000 0.806 296 E CB -0.229 29.090 29.700 -0.635 0.000 0.738 296 E HN 0.560 nan 8.360 nan 0.000 0.459 297 I N 0.240 120.730 120.570 -0.134 0.000 2.277 297 I HA -0.183 3.668 4.170 -0.532 0.000 0.243 297 I C 2.202 178.287 176.117 -0.053 0.000 1.094 297 I CA 0.697 61.943 61.300 -0.091 0.000 1.393 297 I CB -0.134 37.833 38.000 -0.055 0.000 1.078 297 I HN -0.060 nan 8.210 nan 0.000 0.417 298 R N 0.809 121.293 120.500 -0.027 0.000 2.357 298 R HA -0.073 3.947 4.340 -0.532 0.000 0.202 298 R C 0.456 176.733 176.300 -0.038 0.000 1.047 298 R CA 0.642 56.728 56.100 -0.023 0.000 1.034 298 R CB -0.092 30.202 30.300 -0.010 0.000 0.875 298 R HN 0.443 nan 8.270 nan 0.000 0.473 299 E N -0.853 119.324 120.200 -0.038 0.000 2.887 299 E HA 0.146 4.176 4.350 -0.532 0.000 0.206 299 E C 0.236 176.818 176.600 -0.031 0.000 0.983 299 E CA 0.016 56.397 56.400 -0.031 0.000 1.141 299 E CB 1.468 31.160 29.700 -0.014 0.000 1.061 299 E HN 0.347 nan 8.360 nan 0.000 0.468 300 G N 2.007 110.779 108.800 -0.047 0.000 2.166 300 G HA2 -0.373 3.267 3.960 -0.532 0.000 0.260 300 G HA3 -0.373 3.267 3.960 -0.532 0.000 0.260 300 G C 0.910 175.757 174.900 -0.087 0.000 0.986 300 G CA 0.374 45.442 45.100 -0.053 0.000 0.683 300 G HN 0.298 nan 8.290 nan 0.000 0.527 301 R N 0.301 120.735 120.500 -0.110 0.000 2.334 301 R HA 0.283 4.304 4.340 -0.532 0.000 0.216 301 R C 1.684 177.836 176.300 -0.248 0.000 0.905 301 R CA 0.324 56.310 56.100 -0.190 0.000 1.064 301 R CB 0.391 30.626 30.300 -0.108 0.000 1.046 301 R HN 0.374 nan 8.270 nan 0.000 0.508 302 G N 0.243 108.920 108.800 -0.204 0.000 2.572 302 G HA2 0.237 3.878 3.960 -0.532 0.000 0.261 302 G HA3 0.237 3.878 3.960 -0.532 0.000 0.261 302 G C -0.160 174.589 174.900 -0.250 0.000 1.197 302 G CA -0.519 44.447 45.100 -0.223 0.000 0.870 302 G HN 0.131 nan 8.290 nan 0.000 0.548 303 C N -0.082 118.991 119.300 -0.377 0.000 2.335 303 C HA 0.707 4.848 4.460 -0.532 0.000 0.363 303 C C 0.084 174.858 174.990 -0.361 0.000 1.198 303 C CA -0.481 58.289 59.018 -0.413 0.000 2.279 303 C CB 1.499 28.893 27.740 -0.577 0.000 2.334 303 C HN 0.759 nan 8.230 nan 0.000 0.559 304 D N -1.456 118.912 120.400 -0.053 0.000 2.559 304 D HA 0.737 5.058 4.640 -0.532 0.000 0.250 304 D C -0.029 176.510 176.300 0.398 0.000 1.135 304 D CA 0.476 54.584 54.000 0.180 0.000 0.955 304 D CB 2.361 43.216 40.800 0.092 0.000 1.442 304 D HN 0.949 nan 8.370 nan 0.000 0.471 305 G N -0.028 108.997 108.800 0.375 0.000 2.344 305 G HA2 0.128 3.769 3.960 -0.532 0.000 0.282 305 G HA3 0.128 3.769 3.960 -0.532 0.000 0.282 305 G C -2.412 172.483 174.900 -0.009 0.000 1.281 305 G CA -0.573 44.667 45.100 0.234 0.000 0.877 305 G HN 0.322 nan 8.290 nan 0.000 0.494 306 P HA 0.069 nan 4.420 nan 0.000 0.231 306 P C 0.937 178.011 177.300 -0.377 0.000 1.158 306 P CA 0.946 63.738 63.100 -0.513 0.000 0.763 306 P CB 0.066 31.279 31.700 -0.810 0.000 0.805 307 W N -0.441 120.873 121.300 0.023 0.000 2.942 307 W HA 0.402 4.745 4.660 -0.528 0.000 0.263 307 W C 0.940 177.497 176.519 0.063 0.000 1.296 307 W CA 0.741 58.093 57.345 0.010 0.000 1.504 307 W CB -0.425 28.970 29.460 -0.108 0.000 1.096 307 W HN -0.012 nan 8.180 nan 0.000 0.639 308 G N 0.663 109.656 108.800 0.321 0.000 2.685 308 G HA2 -0.186 3.455 3.960 -0.532 0.000 0.387 308 G HA3 -0.186 3.455 3.960 -0.532 0.000 0.387 308 G C -3.022 172.076 174.900 0.330 0.000 1.324 308 G CA -1.401 43.850 45.100 0.251 0.000 0.878 308 G HN -0.297 nan 8.290 nan 0.000 0.527 309 P HA 0.265 nan 4.420 nan 0.000 0.264 309 P C -0.055 177.358 177.300 0.187 0.000 1.193 309 P CA 0.823 63.999 63.100 0.127 0.000 0.763 309 P CB 0.343 32.080 31.700 0.061 0.000 0.810 310 H N 0.721 119.814 119.070 0.038 0.000 2.967 310 H HA 0.738 4.982 4.556 -0.520 0.000 0.318 310 H C -1.755 173.565 175.328 -0.013 0.000 1.375 310 H CA -1.287 54.768 56.048 0.012 0.000 1.132 310 H CB 0.779 30.539 29.762 -0.003 0.000 1.848 310 H HN 0.391 nan 8.280 nan 0.000 0.524 311 A N 1.415 124.294 122.820 0.099 0.000 2.311 311 A HA 0.506 4.507 4.320 -0.532 0.000 0.334 311 A C -0.336 177.365 177.584 0.194 0.000 1.139 311 A CA -0.974 51.114 52.037 0.085 0.000 0.830 311 A CB 1.052 20.158 19.000 0.175 0.000 1.234 311 A HN 0.508 nan 8.150 nan 0.000 0.483 312 K N 1.027 121.516 120.400 0.148 0.000 2.227 312 K HA 0.355 4.356 4.320 -0.532 0.000 0.280 312 K C -1.361 175.270 176.600 0.052 0.000 1.041 312 K CA -0.447 55.900 56.287 0.099 0.000 0.905 312 K CB 1.492 34.036 32.500 0.074 0.000 1.068 312 K HN 0.483 nan 8.250 nan 0.000 0.470 313 L N 3.486 124.698 121.223 -0.018 0.000 2.277 313 L HA 0.273 4.294 4.340 -0.532 0.000 0.284 313 L C -0.191 176.609 176.870 -0.117 0.000 1.028 313 L CA -0.109 54.694 54.840 -0.062 0.000 0.835 313 L CB 0.721 42.742 42.059 -0.062 0.000 1.215 313 L HN 0.426 nan 8.230 nan 0.000 0.425 314 K N 5.188 125.473 120.400 -0.193 0.000 2.227 314 K HA 0.374 4.375 4.320 -0.532 0.000 0.280 314 K C -0.106 176.344 176.600 -0.250 0.000 1.041 314 K CA -0.334 55.818 56.287 -0.226 0.000 0.905 314 K CB 0.707 33.007 32.500 -0.333 0.000 1.068 314 K HN 0.869 nan 8.250 nan 0.000 0.470 315 L N 2.938 124.029 121.223 -0.220 0.000 2.902 315 L HA 0.051 4.072 4.340 -0.532 0.000 0.254 315 L C 1.297 177.926 176.870 -0.402 0.000 1.115 315 L CA 0.083 54.719 54.840 -0.339 0.000 0.947 315 L CB 0.083 42.017 42.059 -0.208 0.000 1.369 315 L HN 0.724 nan 8.230 nan 0.000 0.538 316 D N -0.037 120.250 120.400 -0.189 0.000 2.228 316 D HA -0.304 4.017 4.640 -0.532 0.000 0.203 316 D C 1.856 178.100 176.300 -0.093 0.000 0.988 316 D CA 1.636 55.576 54.000 -0.101 0.000 0.864 316 D CB -0.438 40.352 40.800 -0.017 0.000 0.928 316 D HN 0.557 nan 8.370 nan 0.000 0.469 317 H N 0.190 119.243 119.070 -0.027 0.000 2.556 317 H HA 0.103 4.338 4.556 -0.534 0.000 0.268 317 H C 1.654 176.989 175.328 0.012 0.000 0.996 317 H CA 0.276 56.327 56.048 0.006 0.000 1.157 317 H CB -0.266 29.517 29.762 0.035 0.000 1.355 317 H HN 0.275 nan 8.280 nan 0.000 0.597 318 L N 0.528 121.561 121.223 -0.317 0.000 2.418 318 L HA 0.188 4.209 4.340 -0.532 0.000 0.218 318 L C 0.842 177.676 176.870 -0.061 0.000 1.125 318 L CA 0.543 55.289 54.840 -0.156 0.000 0.835 318 L CB -0.177 41.759 42.059 -0.206 0.000 0.953 318 L HN 0.521 nan 8.230 nan 0.000 0.454 319 G N 0.860 109.625 108.800 -0.058 0.000 2.785 319 G HA2 -0.227 3.414 3.960 -0.532 0.000 0.686 319 G HA3 -0.227 3.414 3.960 -0.532 0.000 0.686 319 G C 0.302 175.182 174.900 -0.033 0.000 1.155 319 G CA 0.025 45.110 45.100 -0.025 0.000 0.760 319 G HN 0.139 nan 8.290 nan 0.000 0.624 320 K N 0.624 121.010 120.400 -0.024 0.000 2.089 320 K HA -0.220 3.781 4.320 -0.532 0.000 0.210 320 K C 2.177 178.762 176.600 -0.025 0.000 1.048 320 K CA 2.386 58.658 56.287 -0.024 0.000 0.926 320 K CB -0.149 32.342 32.500 -0.016 0.000 0.714 320 K HN 0.702 nan 8.250 nan 0.000 0.448 321 E N 0.037 120.226 120.200 -0.020 0.000 2.038 321 E HA -0.186 3.844 4.350 -0.532 0.000 0.195 321 E C 1.848 178.432 176.600 -0.027 0.000 1.000 321 E CA 1.830 58.218 56.400 -0.020 0.000 0.803 321 E CB 0.014 29.706 29.700 -0.014 0.000 0.750 321 E HN 0.183 nan 8.360 nan 0.000 0.448 322 V N 1.166 121.064 119.914 -0.027 0.000 2.358 322 V HA -0.242 3.559 4.120 -0.532 0.000 0.246 322 V C 2.483 178.556 176.094 -0.035 0.000 1.047 322 V CA 1.534 63.816 62.300 -0.030 0.000 1.035 322 V CB -0.489 31.321 31.823 -0.021 0.000 0.658 322 V HN 0.331 nan 8.190 nan 0.000 0.452 323 L N -0.286 120.912 121.223 -0.041 0.000 1.994 323 L HA -0.216 3.804 4.340 -0.532 0.000 0.208 323 L C 2.563 179.414 176.870 -0.033 0.000 1.071 323 L CA 1.884 56.698 54.840 -0.042 0.000 0.745 323 L CB -0.637 41.390 42.059 -0.053 0.000 0.892 323 L HN 0.341 nan 8.230 nan 0.000 0.431 324 E N -0.873 119.308 120.200 -0.032 0.000 2.268 324 E HA -0.183 3.848 4.350 -0.532 0.000 0.195 324 E C 2.277 178.858 176.600 -0.032 0.000 0.995 324 E CA 1.182 57.565 56.400 -0.029 0.000 0.836 324 E CB 0.084 29.768 29.700 -0.027 0.000 0.763 324 E HN 0.348 nan 8.360 nan 0.000 0.491 325 S N -0.000 115.677 115.700 -0.039 0.000 2.371 325 S HA -0.009 4.142 4.470 -0.532 0.000 0.219 325 S C 1.839 176.402 174.600 -0.061 0.000 1.040 325 S CA 0.332 58.501 58.200 -0.052 0.000 0.958 325 S CB 0.221 63.384 63.200 -0.062 0.000 0.860 325 S HN 0.034 nan 8.310 nan 0.000 0.487 326 R N 0.567 121.035 120.500 -0.054 0.000 2.210 326 R HA 0.391 4.412 4.340 -0.532 0.000 0.203 326 R C 0.556 176.865 176.300 0.015 0.000 1.010 326 R CA 0.409 56.488 56.100 -0.035 0.000 1.008 326 R CB -0.522 29.769 30.300 -0.016 0.000 0.923 326 R HN 0.426 nan 8.270 nan 0.000 0.469 327 L N 1.451 122.675 121.223 0.002 0.000 3.313 327 L HA 0.240 4.260 4.340 -0.532 0.000 0.320 327 L C -1.685 175.182 176.870 -0.005 0.000 1.304 327 L CA -0.778 54.068 54.840 0.010 0.000 0.920 327 L CB 1.496 43.558 42.059 0.004 0.000 1.357 327 L HN -0.120 nan 8.230 nan 0.000 0.602 328 P HA -0.115 nan 4.420 nan 0.000 0.222 328 P C 1.536 178.827 177.300 -0.015 0.000 1.147 328 P CA 1.298 64.388 63.100 -0.018 0.000 0.790 328 P CB 0.334 32.020 31.700 -0.023 0.000 0.780 329 G N 1.461 110.256 108.800 -0.009 0.000 2.404 329 G HA2 -0.205 3.436 3.960 -0.532 0.000 0.215 329 G HA3 -0.205 3.436 3.960 -0.532 0.000 0.215 329 G C 1.423 176.326 174.900 0.005 0.000 1.174 329 G CA 0.974 46.070 45.100 -0.006 0.000 0.780 329 G HN 0.381 nan 8.290 nan 0.000 0.537 330 I N -0.778 119.795 120.570 0.004 0.000 2.830 330 I HA 0.127 3.977 4.170 -0.532 0.000 0.263 330 I C 2.273 178.390 176.117 -0.001 0.000 1.230 330 I CA 0.605 61.908 61.300 0.004 0.000 1.480 330 I CB -0.334 37.662 38.000 -0.008 0.000 1.095 330 I HN 0.056 nan 8.210 nan 0.000 0.455 331 L N 0.555 121.773 121.223 -0.009 0.000 1.989 331 L HA -0.176 3.844 4.340 -0.532 0.000 0.211 331 L C 2.721 179.584 176.870 -0.012 0.000 1.071 331 L CA 1.891 56.721 54.840 -0.016 0.000 0.749 331 L CB -0.674 41.372 42.059 -0.021 0.000 0.890 331 L HN 0.355 nan 8.230 nan 0.000 0.431 332 E N -0.117 120.079 120.200 -0.008 0.000 2.150 332 E HA -0.180 3.850 4.350 -0.532 0.000 0.193 332 E C 2.393 179.004 176.600 0.019 0.000 0.985 332 E CA 0.732 57.126 56.400 -0.011 0.000 0.814 332 E CB 0.073 29.764 29.700 -0.014 0.000 0.752 332 E HN 0.437 nan 8.360 nan 0.000 0.466 333 L N 0.068 121.333 121.223 0.070 0.000 2.027 333 L HA -0.166 3.855 4.340 -0.532 0.000 0.206 333 L C 2.689 179.663 176.870 0.174 0.000 1.074 333 L CA 1.027 55.977 54.840 0.184 0.000 0.745 333 L CB -0.395 41.742 42.059 0.130 0.000 0.898 333 L HN 0.136 nan 8.230 nan 0.000 0.433 334 S N -0.249 115.494 115.700 0.071 0.000 2.383 334 S HA -0.162 3.988 4.470 -0.532 0.000 0.227 334 S C 2.101 176.714 174.600 0.022 0.000 1.026 334 S CA 1.093 59.320 58.200 0.045 0.000 0.981 334 S CB -0.046 63.153 63.200 -0.001 0.000 0.818 334 S HN 0.298 nan 8.310 nan 0.000 0.472 335 R N -0.147 120.341 120.500 -0.021 0.000 2.075 335 R HA -0.004 4.016 4.340 -0.532 0.000 0.232 335 R C 2.483 178.653 176.300 -0.217 0.000 1.126 335 R CA 1.883 57.937 56.100 -0.078 0.000 0.963 335 R CB -0.696 29.561 30.300 -0.071 0.000 0.858 335 R HN 0.375 nan 8.270 nan 0.000 0.435 336 T N -0.091 114.323 114.554 -0.233 0.000 2.812 336 T HA -0.028 4.003 4.350 -0.532 0.000 0.264 336 T C 0.958 175.282 174.700 -0.627 0.000 1.042 336 T CA 1.158 62.963 62.100 -0.492 0.000 1.140 336 T CB -0.027 68.490 68.868 -0.585 0.000 0.870 336 T HN 0.099 nan 8.240 nan 0.000 0.445 337 F N -0.086 119.812 119.950 -0.086 0.000 2.678 337 F HA 0.567 4.774 4.527 -0.533 0.000 0.305 337 F C 1.714 177.591 175.800 0.128 0.000 1.090 337 F CA -0.363 57.646 58.000 0.014 0.000 1.272 337 F CB 0.356 39.375 39.000 0.032 0.000 1.060 337 F HN 0.120 nan 8.300 nan 0.000 0.576 338 A N -2.011 120.957 122.820 0.247 0.000 2.548 338 A HA 0.210 4.211 4.320 -0.532 0.000 0.236 338 A C 0.505 178.400 177.584 0.517 0.000 1.246 338 A CA -0.032 52.256 52.037 0.418 0.000 0.993 338 A CB -0.370 18.752 19.000 0.203 0.000 1.209 338 A HN 0.387 nan 8.150 nan 0.000 0.570 339 H N -0.738 118.435 119.070 0.173 0.000 2.741 339 H HA -0.144 4.092 4.556 -0.533 0.000 0.305 339 H C -0.707 174.714 175.328 0.156 0.000 1.169 339 H CA 0.955 57.078 56.048 0.124 0.000 1.144 339 H CB -1.908 27.913 29.762 0.098 0.000 1.397 339 H HN 0.253 nan 8.280 nan 0.000 0.409 340 V N 1.297 121.319 119.914 0.180 0.000 2.588 340 V HA 0.117 3.918 4.120 -0.532 0.000 0.304 340 V C 0.177 176.296 176.094 0.040 0.000 1.042 340 V CA -0.731 61.638 62.300 0.115 0.000 0.877 340 V CB 2.424 34.278 31.823 0.051 0.000 0.996 340 V HN 0.226 nan 8.190 nan 0.000 0.425 341 D N 6.647 127.067 120.400 0.032 0.000 2.456 341 D HA 0.364 4.684 4.640 -0.532 0.000 0.219 341 D C -1.685 174.609 176.300 -0.010 0.000 1.126 341 D CA -2.184 51.820 54.000 0.007 0.000 0.890 341 D CB 1.972 42.779 40.800 0.012 0.000 1.025 341 D HN 0.174 nan 8.370 nan 0.000 0.511 342 P HA -0.150 nan 4.420 nan 0.000 0.222 342 P C 1.317 178.587 177.300 -0.049 0.000 1.142 342 P CA 0.538 63.609 63.100 -0.047 0.000 0.788 342 P CB 0.315 31.982 31.700 -0.055 0.000 0.767 343 V N -0.456 119.438 119.914 -0.034 0.000 2.667 343 V HA -0.174 3.626 4.120 -0.532 0.000 0.252 343 V C 2.076 178.158 176.094 -0.019 0.000 1.065 343 V CA 1.630 63.911 62.300 -0.032 0.000 1.083 343 V CB -0.809 31.001 31.823 -0.022 0.000 0.692 343 V HN 0.224 nan 8.190 nan 0.000 0.468 344 K N 0.222 120.617 120.400 -0.009 0.000 2.273 344 K HA 0.249 4.250 4.320 -0.532 0.000 0.206 344 K C 0.903 177.507 176.600 0.006 0.000 1.072 344 K CA 0.209 56.500 56.287 0.006 0.000 0.953 344 K CB 0.639 33.149 32.500 0.016 0.000 1.043 344 K HN 0.501 nan 8.250 nan 0.000 0.477 345 E N 1.944 122.144 120.200 0.001 0.000 2.244 345 E HA 0.308 4.339 4.350 -0.532 0.000 0.266 345 E C -2.688 173.890 176.600 -0.037 0.000 0.914 345 E CA -2.569 53.829 56.400 -0.002 0.000 0.794 345 E CB 2.164 31.876 29.700 0.020 0.000 1.210 345 E HN -0.231 nan 8.360 nan 0.000 0.414 346 P HA 0.043 nan 4.420 nan 0.000 0.267 346 P C -0.695 176.520 177.300 -0.141 0.000 1.200 346 P CA 0.442 63.492 63.100 -0.083 0.000 0.772 346 P CB 0.367 32.033 31.700 -0.056 0.000 0.855 347 I N 4.849 125.329 120.570 -0.150 0.000 2.342 347 I HA 0.199 4.050 4.170 -0.532 0.000 0.291 347 I C -1.866 174.085 176.117 -0.278 0.000 1.010 347 I CA -2.423 58.751 61.300 -0.209 0.000 1.308 347 I CB 1.233 39.150 38.000 -0.137 0.000 1.400 347 I HN 0.143 nan 8.210 nan 0.000 0.488 348 P HA 0.098 nan 4.420 nan 0.000 0.275 348 P C -0.576 176.530 177.300 -0.322 0.000 1.276 348 P CA 0.044 62.723 63.100 -0.701 0.000 0.782 348 P CB 0.672 31.371 31.700 -1.668 0.000 0.851 349 V N 2.614 122.481 119.914 -0.078 0.000 3.113 349 V HA 0.784 4.585 4.120 -0.532 0.000 0.316 349 V C -0.463 175.675 176.094 0.074 0.000 1.125 349 V CA -1.287 61.011 62.300 -0.004 0.000 1.026 349 V CB 2.640 34.467 31.823 0.006 0.000 1.080 349 V HN 0.481 nan 8.190 nan 0.000 0.444 350 I N 0.726 121.337 120.570 0.068 0.000 2.752 350 I HA 0.519 4.369 4.170 -0.532 0.000 0.290 350 I C -2.980 173.183 176.117 0.078 0.000 1.507 350 I CA -1.863 59.484 61.300 0.079 0.000 1.038 350 I CB 2.908 40.965 38.000 0.094 0.000 1.390 350 I HN 0.575 nan 8.210 nan 0.000 0.435 351 P HA 0.109 nan 4.420 nan 0.000 0.263 351 P C -1.338 176.057 177.300 0.158 0.000 1.175 351 P CA 0.420 63.579 63.100 0.099 0.000 0.761 351 P CB 0.389 32.104 31.700 0.025 0.000 0.794 352 T N 1.815 116.504 114.554 0.224 0.000 2.952 352 T HA 0.180 4.210 4.350 -0.532 0.000 0.305 352 T C -0.640 174.159 174.700 0.165 0.000 1.064 352 T CA -0.404 61.817 62.100 0.201 0.000 1.008 352 T CB 0.964 69.892 68.868 0.100 0.000 1.078 352 T HN 0.437 nan 8.240 nan 0.000 0.459 353 C N 3.327 122.601 119.300 -0.044 0.000 2.523 353 C HA 0.193 4.334 4.460 -0.532 0.000 0.406 353 C C 1.416 176.321 174.990 -0.141 0.000 1.449 353 C CA 0.988 59.664 59.018 -0.569 0.000 1.588 353 C CB -1.394 25.830 27.740 -0.861 0.000 2.514 353 C HN 1.152 nan 8.230 nan 0.000 0.606 354 H N 2.399 121.378 119.070 -0.152 0.000 2.089 354 H HA 0.282 4.521 4.556 -0.529 0.000 0.206 354 H C -0.771 174.662 175.328 0.175 0.000 0.872 354 H CA 0.517 56.600 56.048 0.059 0.000 0.979 354 H CB 0.266 30.122 29.762 0.156 0.000 1.266 354 H HN 0.740 nan 8.280 nan 0.000 0.389 355 Y N 1.002 121.307 120.300 0.009 0.000 2.504 355 Y HA 0.349 4.579 4.550 -0.533 0.000 0.344 355 Y C -1.373 174.427 175.900 -0.166 0.000 1.023 355 Y CA -1.270 56.765 58.100 -0.107 0.000 1.020 355 Y CB 1.689 40.084 38.460 -0.108 0.000 1.282 355 Y HN 0.138 nan 8.280 nan 0.000 0.454 356 M N 7.699 126.685 119.600 -1.023 0.000 2.206 356 M HA 0.220 4.381 4.480 -0.532 0.000 0.353 356 M C -0.370 175.368 176.300 -0.937 0.000 1.242 356 M CA -0.326 54.201 55.300 -1.288 0.000 1.179 356 M CB 0.826 32.673 32.600 -1.256 0.000 1.374 356 M HN 1.092 nan 8.290 nan 0.000 0.427 357 M N 2.904 122.248 119.600 -0.427 0.000 2.202 357 M HA 0.010 4.171 4.480 -0.532 0.000 0.262 357 M C 1.297 177.498 176.300 -0.164 0.000 1.063 357 M CA 1.562 56.834 55.300 -0.047 0.000 1.097 357 M CB -0.394 32.227 32.600 0.034 0.000 1.382 357 M HN 0.768 nan 8.290 nan 0.000 0.413 358 G N -1.334 107.252 108.800 -0.356 0.000 2.525 358 G HA2 0.511 4.152 3.960 -0.532 0.000 0.276 358 G HA3 0.511 4.152 3.960 -0.532 0.000 0.276 358 G C 0.159 174.917 174.900 -0.237 0.000 1.388 358 G CA -0.144 44.800 45.100 -0.259 0.000 1.050 358 G HN 0.686 nan 8.290 nan 0.000 0.520 359 G N -1.991 106.706 108.800 -0.171 0.000 2.315 359 G HA2 0.147 3.787 3.960 -0.532 0.000 0.296 359 G HA3 0.147 3.787 3.960 -0.532 0.000 0.296 359 G C -0.637 174.203 174.900 -0.100 0.000 1.289 359 G CA -0.556 44.462 45.100 -0.137 0.000 0.996 359 G HN 0.814 nan 8.290 nan 0.000 0.487 360 I N 3.067 123.585 120.570 -0.086 0.000 2.517 360 I HA 0.231 4.082 4.170 -0.532 0.000 0.285 360 I C -1.579 174.477 176.117 -0.102 0.000 1.106 360 I CA -1.322 59.932 61.300 -0.076 0.000 1.402 360 I CB 0.963 38.927 38.000 -0.061 0.000 1.399 360 I HN 0.199 nan 8.210 nan 0.000 0.535 361 P HA 0.051 nan 4.420 nan 0.000 0.267 361 P C -0.435 176.782 177.300 -0.138 0.000 1.205 361 P CA 0.068 63.083 63.100 -0.142 0.000 0.765 361 P CB 0.624 32.246 31.700 -0.130 0.000 0.828 362 T N 0.056 114.514 114.554 -0.159 0.000 2.896 362 T HA 0.513 4.544 4.350 -0.532 0.000 0.297 362 T C -0.141 174.462 174.700 -0.163 0.000 1.108 362 T CA -1.040 60.969 62.100 -0.152 0.000 1.004 362 T CB 1.726 70.511 68.868 -0.138 0.000 1.159 362 T HN 0.122 nan 8.240 nan 0.000 0.499 363 K N 0.650 120.966 120.400 -0.140 0.000 2.118 363 K HA 0.469 4.470 4.320 -0.532 0.000 0.240 363 K C 1.340 177.855 176.600 -0.142 0.000 1.035 363 K CA -0.747 55.459 56.287 -0.134 0.000 0.899 363 K CB 0.454 32.883 32.500 -0.119 0.000 1.085 363 K HN 0.331 nan 8.250 nan 0.000 0.498 364 V N 1.200 121.027 119.914 -0.145 0.000 2.392 364 V HA -0.270 3.531 4.120 -0.532 0.000 0.249 364 V C 2.321 178.399 176.094 -0.026 0.000 1.059 364 V CA 2.510 64.745 62.300 -0.109 0.000 1.051 364 V CB -0.933 30.731 31.823 -0.266 0.000 0.658 364 V HN 1.073 nan 8.190 nan 0.000 0.455 365 T N -2.521 111.983 114.554 -0.083 0.000 2.897 365 T HA 0.010 4.040 4.350 -0.532 0.000 0.271 365 T C 1.617 176.421 174.700 0.173 0.000 1.084 365 T CA 1.575 63.687 62.100 0.020 0.000 1.123 365 T CB -0.050 68.803 68.868 -0.025 0.000 0.865 365 T HN 1.037 nan 8.240 nan 0.000 0.496 366 G N 0.452 109.323 108.800 0.118 0.000 2.218 366 G HA2 -0.214 3.427 3.960 -0.532 0.000 0.216 366 G HA3 -0.214 3.427 3.960 -0.532 0.000 0.216 366 G C -0.076 174.915 174.900 0.152 0.000 0.994 366 G CA -0.137 45.077 45.100 0.190 0.000 0.637 366 G HN 0.677 nan 8.290 nan 0.000 0.505 367 Q N 1.100 120.887 119.800 -0.022 0.000 2.274 367 Q HA 0.517 4.538 4.340 -0.532 0.000 0.280 367 Q C 0.721 176.543 176.000 -0.297 0.000 1.047 367 Q CA 0.332 55.884 55.803 -0.419 0.000 0.907 367 Q CB 1.012 29.539 28.738 -0.351 0.000 1.171 367 Q HN 0.783 nan 8.270 nan 0.000 0.381 368 A N 4.120 126.734 122.820 -0.344 0.000 2.425 368 A HA 0.379 4.380 4.320 -0.532 0.000 0.249 368 A C -0.339 177.138 177.584 -0.177 0.000 1.084 368 A CA -0.308 51.608 52.037 -0.202 0.000 0.781 368 A CB 0.351 19.256 19.000 -0.159 0.000 1.019 368 A HN 0.723 nan 8.150 nan 0.000 0.490 369 L N 1.289 122.432 121.223 -0.133 0.000 2.334 369 L HA 0.668 4.689 4.340 -0.532 0.000 0.273 369 L C 0.530 177.347 176.870 -0.087 0.000 1.013 369 L CA -0.393 54.381 54.840 -0.110 0.000 0.816 369 L CB 2.164 44.162 42.059 -0.102 0.000 1.278 369 L HN 0.818 nan 8.230 nan 0.000 0.431 370 T N 0.935 115.443 114.554 -0.076 0.000 2.838 370 T HA 0.694 4.724 4.350 -0.532 0.000 0.292 370 T C -1.190 173.477 174.700 -0.054 0.000 1.113 370 T CA -0.447 61.616 62.100 -0.062 0.000 1.008 370 T CB 1.903 70.735 68.868 -0.059 0.000 1.259 370 T HN 0.368 nan 8.240 nan 0.000 0.520 371 V N 2.143 122.028 119.914 -0.048 0.000 2.667 371 V HA 0.771 4.572 4.120 -0.532 0.000 0.308 371 V C -0.018 176.052 176.094 -0.040 0.000 1.048 371 V CA -1.174 61.102 62.300 -0.041 0.000 0.928 371 V CB 1.395 33.197 31.823 -0.035 0.000 1.004 371 V HN 0.985 nan 8.190 nan 0.000 0.444 372 N N 1.906 120.585 118.700 -0.035 0.000 2.476 372 N HA 0.205 4.626 4.740 -0.532 0.000 0.287 372 N C 0.864 176.356 175.510 -0.030 0.000 1.262 372 N CA -0.190 52.840 53.050 -0.032 0.000 0.980 372 N CB 0.112 38.582 38.487 -0.028 0.000 1.163 372 N HN 0.834 nan 8.380 nan 0.000 0.592 373 E N -0.514 119.670 120.200 -0.027 0.000 2.265 373 E HA -0.192 3.839 4.350 -0.532 0.000 0.196 373 E C 0.547 177.134 176.600 -0.021 0.000 0.996 373 E CA 1.102 57.486 56.400 -0.025 0.000 0.832 373 E CB -0.327 29.359 29.700 -0.022 0.000 0.756 373 E HN 0.585 nan 8.360 nan 0.000 0.491 374 K N -0.100 120.288 120.400 -0.020 0.000 2.426 374 K HA 0.103 4.103 4.320 -0.532 0.000 0.193 374 K C 1.097 177.687 176.600 -0.016 0.000 1.028 374 K CA 0.461 56.738 56.287 -0.017 0.000 1.047 374 K CB 0.551 33.042 32.500 -0.015 0.000 0.821 374 K HN 0.339 nan 8.250 nan 0.000 0.513 375 G N 1.743 110.532 108.800 -0.019 0.000 2.175 375 G HA2 -0.263 3.377 3.960 -0.532 0.000 0.244 375 G HA3 -0.263 3.377 3.960 -0.532 0.000 0.244 375 G C -0.274 174.617 174.900 -0.015 0.000 0.982 375 G CA -0.113 44.977 45.100 -0.017 0.000 0.641 375 G HN 0.367 nan 8.290 nan 0.000 0.527 376 E N 0.952 121.142 120.200 -0.017 0.000 2.374 376 E HA 0.418 4.449 4.350 -0.532 0.000 0.260 376 E C -0.452 176.135 176.600 -0.023 0.000 1.101 376 E CA -0.535 55.855 56.400 -0.017 0.000 0.907 376 E CB 0.545 30.235 29.700 -0.017 0.000 1.014 376 E HN 0.230 nan 8.360 nan 0.000 0.427 377 D N 0.767 121.152 120.400 -0.024 0.000 2.382 377 D HA 0.214 4.535 4.640 -0.532 0.000 0.245 377 D C -0.828 175.447 176.300 -0.041 0.000 1.120 377 D CA 0.045 54.025 54.000 -0.034 0.000 0.890 377 D CB 1.096 41.874 40.800 -0.036 0.000 1.201 377 D HN -0.024 nan 8.370 nan 0.000 0.433 378 V N 1.818 121.702 119.914 -0.050 0.000 2.841 378 V HA 0.279 4.080 4.120 -0.532 0.000 0.310 378 V C 0.033 176.083 176.094 -0.073 0.000 1.090 378 V CA -1.036 61.231 62.300 -0.055 0.000 0.930 378 V CB 2.263 34.057 31.823 -0.048 0.000 1.014 378 V HN 0.230 nan 8.190 nan 0.000 0.425 379 V N 3.747 123.611 119.914 -0.083 0.000 2.530 379 V HA 0.198 3.999 4.120 -0.532 0.000 0.282 379 V C 0.191 176.214 176.094 -0.118 0.000 1.048 379 V CA -0.335 61.894 62.300 -0.118 0.000 0.997 379 V CB 1.663 33.407 31.823 -0.131 0.000 0.987 379 V HN 0.635 nan 8.190 nan 0.000 0.477 380 V N 8.229 128.057 119.914 -0.143 0.000 2.415 380 V HA 0.166 3.967 4.120 -0.532 0.000 0.267 380 V C -2.091 173.913 176.094 -0.151 0.000 1.042 380 V CA -1.487 60.738 62.300 -0.124 0.000 1.000 380 V CB 0.589 32.343 31.823 -0.116 0.000 1.015 380 V HN 0.786 nan 8.190 nan 0.000 0.478 381 P HA 0.227 nan 4.420 nan 0.000 0.263 381 P C 1.054 178.332 177.300 -0.036 0.000 1.195 381 P CA 1.229 64.288 63.100 -0.069 0.000 0.762 381 P CB 0.715 32.400 31.700 -0.026 0.000 0.799 382 G N 1.775 110.575 108.800 0.001 0.000 2.225 382 G HA2 -0.241 3.400 3.960 -0.532 0.000 0.254 382 G HA3 -0.241 3.400 3.960 -0.532 0.000 0.254 382 G C -0.298 174.703 174.900 0.167 0.000 0.988 382 G CA -0.212 44.972 45.100 0.141 0.000 0.625 382 G HN 0.559 nan 8.290 nan 0.000 0.527 383 L N 0.823 121.994 121.223 -0.088 0.000 2.307 383 L HA 0.897 4.918 4.340 -0.532 0.000 0.284 383 L C -0.594 176.084 176.870 -0.320 0.000 1.023 383 L CA -1.366 53.442 54.840 -0.054 0.000 0.810 383 L CB 0.924 42.938 42.059 -0.076 0.000 1.231 383 L HN 0.079 nan 8.230 nan 0.000 0.423 384 F N 3.033 122.971 119.950 -0.021 0.000 2.613 384 F HA 0.859 5.066 4.527 -0.532 0.000 0.314 384 F C -0.062 175.718 175.800 -0.033 0.000 1.075 384 F CA -0.728 57.257 58.000 -0.024 0.000 0.945 384 F CB 2.143 41.135 39.000 -0.013 0.000 1.310 384 F HN 0.563 nan 8.300 nan 0.000 0.467 385 A N 1.146 124.053 122.820 0.145 0.000 2.486 385 A HA 0.891 4.892 4.320 -0.532 0.000 0.300 385 A C -1.547 176.071 177.584 0.057 0.000 1.048 385 A CA -0.763 51.311 52.037 0.062 0.000 0.696 385 A CB 1.708 20.706 19.000 -0.003 0.000 1.278 385 A HN 1.128 nan 8.150 nan 0.000 0.405 386 V N -0.782 119.161 119.914 0.047 0.000 2.971 386 V HA 0.999 4.800 4.120 -0.532 0.000 0.309 386 V C 0.400 176.528 176.094 0.057 0.000 1.130 386 V CA 0.123 62.463 62.300 0.067 0.000 0.964 386 V CB 0.832 32.718 31.823 0.104 0.000 1.029 386 V HN 2.932 nan 8.190 nan 0.000 0.427 387 G N 1.896 110.753 108.800 0.094 0.000 2.568 387 G HA2 -0.207 3.433 3.960 -0.532 0.000 0.222 387 G HA3 -0.207 3.433 3.960 -0.532 0.000 0.222 387 G C 0.499 175.439 174.900 0.066 0.000 1.321 387 G CA 0.811 45.971 45.100 0.101 0.000 0.893 387 G HN 1.392 nan 8.290 nan 0.000 0.569 388 E N -0.828 119.391 120.200 0.032 0.000 2.160 388 E HA -0.133 3.897 4.350 -0.532 0.000 0.195 388 E C 2.517 179.020 176.600 -0.163 0.000 0.991 388 E CA 1.515 57.854 56.400 -0.102 0.000 0.810 388 E CB -0.125 29.445 29.700 -0.217 0.000 0.742 388 E HN 0.514 nan 8.360 nan 0.000 0.466 389 I N 0.562 121.071 120.570 -0.101 0.000 2.756 389 I HA -0.054 3.796 4.170 -0.532 0.000 0.262 389 I C 0.457 176.519 176.117 -0.092 0.000 1.225 389 I CA 0.496 61.735 61.300 -0.101 0.000 1.472 389 I CB -0.342 37.619 38.000 -0.065 0.000 1.094 389 I HN 0.032 nan 8.210 nan 0.000 0.454 390 A N -0.387 122.390 122.820 -0.072 0.000 2.303 390 A HA 0.531 4.532 4.320 -0.532 0.000 0.317 390 A C -0.465 177.063 177.584 -0.094 0.000 1.149 390 A CA -0.422 51.566 52.037 -0.082 0.000 0.822 390 A CB 0.724 19.678 19.000 -0.078 0.000 1.131 390 A HN 0.368 nan 8.150 nan 0.000 0.493 391 C N 3.656 122.881 119.300 -0.124 0.000 2.294 391 C HA 0.504 4.645 4.460 -0.532 0.000 0.319 391 C C 1.267 176.137 174.990 -0.199 0.000 1.164 391 C CA -0.402 58.535 59.018 -0.134 0.000 1.497 391 C CB -0.978 26.676 27.740 -0.145 0.000 2.061 391 C HN 0.675 nan 8.230 nan 0.000 0.438 392 V N 4.008 123.782 119.914 -0.233 0.000 2.323 392 V HA 0.034 3.834 4.120 -0.532 0.000 0.244 392 V C 1.428 177.375 176.094 -0.245 0.000 1.041 392 V CA 1.749 63.861 62.300 -0.313 0.000 1.025 392 V CB -0.294 31.201 31.823 -0.546 0.000 0.656 392 V HN 0.865 nan 8.190 nan 0.000 0.451 393 S N -0.116 115.470 115.700 -0.190 0.000 2.478 393 S HA 0.378 4.528 4.470 -0.532 0.000 0.312 393 S C 0.274 174.796 174.600 -0.129 0.000 1.094 393 S CA -0.298 57.811 58.200 -0.153 0.000 1.081 393 S CB 1.860 65.002 63.200 -0.096 0.000 1.007 393 S HN 0.239 nan 8.310 nan 0.000 0.475 394 V N 2.713 122.460 119.914 -0.278 0.000 3.647 394 V HA 0.388 4.189 4.120 -0.532 0.000 0.279 394 V C 0.958 176.772 176.094 -0.468 0.000 1.314 394 V CA 0.308 62.396 62.300 -0.354 0.000 1.125 394 V CB -0.934 30.680 31.823 -0.348 0.000 0.907 394 V HN 0.942 nan 8.190 nan 0.000 0.434 395 H N 0.418 119.513 119.070 0.043 0.000 3.046 395 H HA 0.431 4.668 4.556 -0.532 0.000 0.262 395 H C 1.837 177.192 175.328 0.045 0.000 1.044 395 H CA 0.464 56.531 56.048 0.032 0.000 1.209 395 H CB 0.881 30.659 29.762 0.027 0.000 1.507 395 H HN 0.494 nan 8.280 nan 0.000 0.507 396 G N 1.719 110.607 108.800 0.147 0.000 2.660 396 G HA2 -0.421 3.219 3.960 -0.532 0.000 0.321 396 G HA3 -0.421 3.219 3.960 -0.532 0.000 0.321 396 G C 1.175 176.162 174.900 0.145 0.000 1.246 396 G CA 1.555 46.745 45.100 0.151 0.000 1.000 396 G HN 0.587 nan 8.290 nan 0.000 0.550 397 A N 0.081 122.972 122.820 0.119 0.000 2.348 397 A HA 0.594 4.594 4.320 -0.532 0.000 0.224 397 A C 0.676 178.327 177.584 0.112 0.000 1.227 397 A CA 1.461 53.569 52.037 0.117 0.000 0.885 397 A CB -0.061 19.011 19.000 0.119 0.000 0.933 397 A HN 1.561 nan 8.150 nan 0.000 0.506 398 N N -0.635 118.127 118.700 0.102 0.000 2.648 398 N HA 0.207 4.628 4.740 -0.532 0.000 0.272 398 N C -0.990 174.561 175.510 0.068 0.000 1.118 398 N CA -0.402 52.696 53.050 0.081 0.000 0.973 398 N CB 0.998 39.526 38.487 0.069 0.000 1.565 398 N HN 0.252 nan 8.380 nan 0.000 0.542 399 R N 3.442 123.952 120.500 0.016 0.000 2.490 399 R HA 0.467 4.487 4.340 -0.532 0.000 0.278 399 R C -0.530 175.750 176.300 -0.033 0.000 1.069 399 R CA -0.374 55.693 56.100 -0.055 0.000 1.080 399 R CB 0.597 30.598 30.300 -0.498 0.000 1.030 399 R HN 0.540 nan 8.270 nan 0.000 0.491 400 L N 2.295 123.542 121.223 0.039 0.000 2.357 400 L HA 0.349 4.370 4.340 -0.532 0.000 0.273 400 L C 0.927 177.840 176.870 0.072 0.000 1.080 400 L CA -0.693 54.186 54.840 0.065 0.000 0.803 400 L CB 1.462 43.596 42.059 0.125 0.000 1.174 400 L HN 0.829 nan 8.230 nan 0.000 0.443 401 G N 0.302 109.201 108.800 0.165 0.000 2.353 401 G HA2 0.330 3.971 3.960 -0.532 0.000 0.239 401 G HA3 0.330 3.971 3.960 -0.532 0.000 0.239 401 G C 0.965 175.890 174.900 0.042 0.000 1.295 401 G CA 0.457 45.751 45.100 0.324 0.000 0.884 401 G HN 1.056 nan 8.290 nan 0.000 0.537 402 G N 2.261 111.005 108.800 -0.093 0.000 2.212 402 G HA2 -0.333 3.307 3.960 -0.532 0.000 0.266 402 G HA3 -0.333 3.307 3.960 -0.532 0.000 0.266 402 G C 1.224 176.101 174.900 -0.039 0.000 0.978 402 G CA 0.702 45.682 45.100 -0.201 0.000 0.632 402 G HN 0.688 nan 8.290 nan 0.000 0.537 403 N N 0.360 119.081 118.700 0.034 0.000 2.494 403 N HA 0.139 4.560 4.740 -0.532 0.000 0.182 403 N C 2.114 177.726 175.510 0.169 0.000 1.076 403 N CA 1.297 54.437 53.050 0.151 0.000 0.908 403 N CB -0.013 38.622 38.487 0.246 0.000 0.967 403 N HN 0.438 nan 8.380 nan 0.000 0.449 404 S N 0.073 115.776 115.700 0.004 0.000 2.362 404 S HA 0.139 4.289 4.470 -0.532 0.000 0.221 404 S C 1.826 176.496 174.600 0.117 0.000 1.032 404 S CA 0.427 58.639 58.200 0.019 0.000 0.973 404 S CB -0.119 63.036 63.200 -0.076 0.000 0.849 404 S HN 0.196 nan 8.310 nan 0.000 0.465 405 L N 1.065 122.332 121.223 0.073 0.000 2.042 405 L HA -0.121 3.900 4.340 -0.532 0.000 0.210 405 L C 2.502 179.423 176.870 0.085 0.000 1.076 405 L CA 1.045 55.927 54.840 0.070 0.000 0.749 405 L CB -0.644 41.438 42.059 0.038 0.000 0.893 405 L HN 0.357 nan 8.230 nan 0.000 0.432 406 L N 0.458 121.735 121.223 0.091 0.000 1.990 406 L HA -0.294 3.727 4.340 -0.532 0.000 0.213 406 L C 2.283 179.220 176.870 0.111 0.000 1.072 406 L CA 2.177 57.069 54.840 0.088 0.000 0.755 406 L CB -0.713 41.416 42.059 0.118 0.000 0.889 406 L HN 0.283 nan 8.230 nan 0.000 0.432 407 D N -0.469 120.061 120.400 0.217 0.000 2.177 407 D HA -0.269 4.052 4.640 -0.532 0.000 0.189 407 D C 2.224 178.712 176.300 0.312 0.000 1.002 407 D CA 2.442 56.664 54.000 0.369 0.000 0.845 407 D CB -0.438 40.646 40.800 0.474 0.000 0.960 407 D HN 0.427 nan 8.370 nan 0.000 0.447 408 L N -0.137 121.221 121.223 0.224 0.000 1.991 408 L HA -0.272 3.749 4.340 -0.532 0.000 0.221 408 L C 2.831 179.773 176.870 0.119 0.000 1.079 408 L CA 1.620 56.557 54.840 0.161 0.000 0.778 408 L CB -0.957 41.166 42.059 0.107 0.000 0.893 408 L HN 0.070 nan 8.230 nan 0.000 0.437 409 V N -0.793 119.165 119.914 0.074 0.000 2.307 409 V HA -0.216 3.585 4.120 -0.532 0.000 0.245 409 V C 2.414 178.503 176.094 -0.009 0.000 1.045 409 V CA 1.522 63.838 62.300 0.027 0.000 1.024 409 V CB -0.215 31.615 31.823 0.012 0.000 0.651 409 V HN 0.206 nan 8.190 nan 0.000 0.449 410 V N -0.714 119.160 119.914 -0.068 0.000 2.343 410 V HA -0.219 3.582 4.120 -0.532 0.000 0.247 410 V C 2.139 178.100 176.094 -0.221 0.000 1.051 410 V CA 2.161 64.321 62.300 -0.233 0.000 1.036 410 V CB -0.699 30.845 31.823 -0.465 0.000 0.654 410 V HN 0.473 nan 8.190 nan 0.000 0.451 411 F N 0.839 120.863 119.950 0.122 0.000 2.473 411 F HA 0.238 4.446 4.527 -0.533 0.000 0.294 411 F C 2.301 178.150 175.800 0.080 0.000 1.103 411 F CA 0.744 58.813 58.000 0.116 0.000 1.442 411 F CB -1.107 37.949 39.000 0.094 0.000 1.097 411 F HN 0.150 nan 8.300 nan 0.000 0.547 412 G N 0.061 108.979 108.800 0.197 0.000 2.421 412 G HA2 -0.255 3.386 3.960 -0.532 0.000 0.216 412 G HA3 -0.255 3.386 3.960 -0.532 0.000 0.216 412 G C 1.818 176.757 174.900 0.066 0.000 1.171 412 G CA 0.731 45.895 45.100 0.107 0.000 0.775 412 G HN 0.225 nan 8.290 nan 0.000 0.543 413 R N 0.490 121.016 120.500 0.044 0.000 2.070 413 R HA -0.005 4.015 4.340 -0.532 0.000 0.233 413 R C 2.925 179.247 176.300 0.037 0.000 1.137 413 R CA 1.640 57.747 56.100 0.012 0.000 0.945 413 R CB -0.495 29.793 30.300 -0.019 0.000 0.845 413 R HN 0.264 nan 8.270 nan 0.000 0.430 414 A N 0.706 123.587 122.820 0.103 0.000 1.917 414 A HA -0.196 3.805 4.320 -0.532 0.000 0.219 414 A C 2.377 180.079 177.584 0.197 0.000 1.182 414 A CA 1.993 54.145 52.037 0.192 0.000 0.633 414 A CB -0.956 18.220 19.000 0.293 0.000 0.819 414 A HN 0.593 nan 8.150 nan 0.000 0.448 415 A N -0.688 122.233 122.820 0.170 0.000 1.908 415 A HA 0.097 4.098 4.320 -0.532 0.000 0.218 415 A C 2.421 180.024 177.584 0.033 0.000 1.181 415 A CA 2.070 54.188 52.037 0.135 0.000 0.627 415 A CB -1.358 17.707 19.000 0.109 0.000 0.818 415 A HN 0.749 nan 8.150 nan 0.000 0.445 416 G N -0.519 108.275 108.800 -0.010 0.000 2.394 416 G HA2 -0.108 3.532 3.960 -0.532 0.000 0.214 416 G HA3 -0.108 3.532 3.960 -0.532 0.000 0.214 416 G C 1.551 176.409 174.900 -0.071 0.000 1.176 416 G CA 0.823 45.888 45.100 -0.059 0.000 0.786 416 G HN 0.399 nan 8.290 nan 0.000 0.533 417 L N -0.130 121.033 121.223 -0.099 0.000 2.089 417 L HA -0.141 3.879 4.340 -0.532 0.000 0.213 417 L C 2.076 178.756 176.870 -0.317 0.000 1.079 417 L CA 1.109 55.810 54.840 -0.231 0.000 0.758 417 L CB -0.192 41.677 42.059 -0.316 0.000 0.891 417 L HN 0.319 nan 8.230 nan 0.000 0.433 418 H N -1.827 117.252 119.070 0.014 0.000 2.542 418 H HA 0.088 4.325 4.556 -0.532 0.000 0.283 418 H C 1.636 176.980 175.328 0.027 0.000 1.059 418 H CA -0.075 55.989 56.048 0.026 0.000 1.162 418 H CB 0.756 30.544 29.762 0.042 0.000 1.539 418 H HN 0.212 nan 8.280 nan 0.000 0.543 419 L N 0.674 121.927 121.223 0.050 0.000 2.093 419 L HA -0.122 3.899 4.340 -0.532 0.000 0.208 419 L C 2.403 179.283 176.870 0.017 0.000 1.085 419 L CA 1.484 56.310 54.840 -0.023 0.000 0.755 419 L CB -0.090 41.886 42.059 -0.138 0.000 0.904 419 L HN 0.151 nan 8.230 nan 0.000 0.435 420 Q N -0.578 119.233 119.800 0.019 0.000 2.020 420 Q HA -0.252 3.768 4.340 -0.532 0.000 0.202 420 Q C 2.092 178.126 176.000 0.057 0.000 0.982 420 Q CA 2.149 57.968 55.803 0.027 0.000 0.838 420 Q CB -0.139 28.608 28.738 0.014 0.000 0.899 420 Q HN 0.622 nan 8.270 nan 0.000 0.423 421 E N 0.009 120.257 120.200 0.080 0.000 2.110 421 E HA -0.137 3.894 4.350 -0.532 0.000 0.193 421 E C 2.168 178.827 176.600 0.097 0.000 0.988 421 E CA 1.109 57.562 56.400 0.087 0.000 0.804 421 E CB 0.033 29.800 29.700 0.112 0.000 0.745 421 E HN 0.145 nan 8.360 nan 0.000 0.458 422 S N 0.833 116.617 115.700 0.141 0.000 2.359 422 S HA -0.144 4.006 4.470 -0.532 0.000 0.224 422 S C 2.028 176.733 174.600 0.175 0.000 1.035 422 S CA 0.884 59.198 58.200 0.191 0.000 1.018 422 S CB -0.166 63.261 63.200 0.378 0.000 0.876 422 S HN 0.220 nan 8.310 nan 0.000 0.448 423 I N 1.558 122.220 120.570 0.153 0.000 2.202 423 I HA -0.186 3.664 4.170 -0.532 0.000 0.242 423 I C 2.760 178.924 176.117 0.078 0.000 1.091 423 I CA 1.095 62.467 61.300 0.121 0.000 1.368 423 I CB -0.655 37.392 38.000 0.079 0.000 1.058 423 I HN 0.267 nan 8.210 nan 0.000 0.410 424 A N 0.646 123.503 122.820 0.062 0.000 1.908 424 A HA -0.282 3.719 4.320 -0.532 0.000 0.218 424 A C 2.333 179.941 177.584 0.040 0.000 1.181 424 A CA 2.064 54.127 52.037 0.044 0.000 0.627 424 A CB -0.726 18.297 19.000 0.037 0.000 0.818 424 A HN 0.556 nan 8.150 nan 0.000 0.445 425 E N 0.243 120.470 120.200 0.045 0.000 2.153 425 E HA -0.284 3.746 4.350 -0.532 0.000 0.194 425 E C 2.077 178.691 176.600 0.023 0.000 0.988 425 E CA 1.429 57.847 56.400 0.030 0.000 0.811 425 E CB -0.202 29.515 29.700 0.028 0.000 0.746 425 E HN 0.911 nan 8.360 nan 0.000 0.466 426 Q N -0.138 119.683 119.800 0.035 0.000 2.398 426 Q HA 0.165 4.185 4.340 -0.532 0.000 0.204 426 Q C 0.880 176.894 176.000 0.023 0.000 0.932 426 Q CA 0.534 56.351 55.803 0.023 0.000 0.916 426 Q CB 0.279 29.037 28.738 0.033 0.000 1.024 426 Q HN 0.187 nan 8.270 nan 0.000 0.504 427 G N 1.135 109.953 108.800 0.029 0.000 2.787 427 G HA2 -0.077 3.563 3.960 -0.532 0.000 0.685 427 G HA3 -0.077 3.563 3.960 -0.532 0.000 0.685 427 G C -0.265 174.652 174.900 0.029 0.000 1.437 427 G CA -0.512 44.603 45.100 0.025 0.000 0.872 427 G HN 0.814 nan 8.290 nan 0.000 0.566 428 A N 0.333 123.167 122.820 0.024 0.000 2.546 428 A HA 0.531 4.532 4.320 -0.532 0.000 0.243 428 A C 0.896 178.496 177.584 0.027 0.000 1.063 428 A CA 0.489 52.541 52.037 0.026 0.000 0.757 428 A CB -0.079 18.933 19.000 0.019 0.000 0.991 428 A HN 1.356 nan 8.150 nan 0.000 0.503 429 L N 2.859 124.102 121.223 0.034 0.000 2.307 429 L HA 0.462 4.483 4.340 -0.532 0.000 0.282 429 L C 0.991 177.882 176.870 0.034 0.000 1.051 429 L CA -0.670 54.191 54.840 0.035 0.000 0.804 429 L CB 0.917 43.005 42.059 0.048 0.000 1.197 429 L HN 0.878 nan 8.230 nan 0.000 0.431 430 R N 1.270 121.787 120.500 0.029 0.000 2.784 430 R HA 0.049 4.069 4.340 -0.532 0.000 0.266 430 R C -0.465 175.858 176.300 0.039 0.000 1.044 430 R CA -0.501 55.616 56.100 0.027 0.000 1.151 430 R CB 0.580 30.891 30.300 0.019 0.000 1.037 430 R HN 0.543 nan 8.270 nan 0.000 0.478 431 D N 0.837 121.261 120.400 0.039 0.000 2.382 431 D HA 0.139 4.460 4.640 -0.532 0.000 0.240 431 D C -0.526 175.806 176.300 0.053 0.000 1.146 431 D CA 0.332 54.366 54.000 0.057 0.000 0.897 431 D CB 1.134 41.965 40.800 0.050 0.000 1.197 431 D HN 0.619 nan 8.370 nan 0.000 0.432 432 A N 1.290 124.156 122.820 0.077 0.000 2.363 432 A HA 0.424 4.424 4.320 -0.532 0.000 0.270 432 A C 0.640 178.226 177.584 0.004 0.000 1.121 432 A CA -0.480 51.571 52.037 0.024 0.000 0.800 432 A CB 0.193 19.182 19.000 -0.019 0.000 1.052 432 A HN 0.507 nan 8.150 nan 0.000 0.493 433 S N 1.068 116.757 115.700 -0.018 0.000 2.634 433 S HA 0.170 4.321 4.470 -0.532 0.000 0.261 433 S C 0.913 175.489 174.600 -0.041 0.000 1.271 433 S CA 0.361 58.551 58.200 -0.018 0.000 0.985 433 S CB 0.820 64.010 63.200 -0.016 0.000 0.968 433 S HN 0.817 nan 8.310 nan 0.000 0.568 434 E N 0.376 120.560 120.200 -0.027 0.000 2.150 434 E HA -0.149 3.882 4.350 -0.532 0.000 0.193 434 E C 1.864 178.435 176.600 -0.048 0.000 0.985 434 E CA 1.320 57.699 56.400 -0.035 0.000 0.814 434 E CB -0.260 29.431 29.700 -0.015 0.000 0.752 434 E HN 0.824 nan 8.360 nan 0.000 0.466 435 S N -0.013 115.663 115.700 -0.039 0.000 2.461 435 S HA -0.083 4.068 4.470 -0.532 0.000 0.228 435 S C 1.365 175.934 174.600 -0.051 0.000 1.005 435 S CA 0.761 58.939 58.200 -0.037 0.000 0.942 435 S CB 0.042 63.226 63.200 -0.025 0.000 0.776 435 S HN 0.182 nan 8.310 nan 0.000 0.514 436 D N 1.932 122.292 120.400 -0.065 0.000 2.117 436 D HA -0.024 4.297 4.640 -0.532 0.000 0.198 436 D C 2.062 178.286 176.300 -0.126 0.000 0.982 436 D CA 0.997 54.948 54.000 -0.081 0.000 0.828 436 D CB -0.365 40.386 40.800 -0.082 0.000 0.967 436 D HN 0.351 nan 8.370 nan 0.000 0.464 437 V N 0.750 120.555 119.914 -0.180 0.000 2.379 437 V HA -0.159 3.642 4.120 -0.532 0.000 0.245 437 V C 2.350 178.371 176.094 -0.121 0.000 1.044 437 V CA 1.224 63.375 62.300 -0.247 0.000 1.036 437 V CB -0.377 31.251 31.823 -0.325 0.000 0.664 437 V HN 0.044 nan 8.190 nan 0.000 0.453 438 E N 1.042 121.195 120.200 -0.078 0.000 2.160 438 E HA -0.204 3.827 4.350 -0.532 0.000 0.195 438 E C 2.121 178.705 176.600 -0.027 0.000 0.991 438 E CA 1.590 57.967 56.400 -0.038 0.000 0.810 438 E CB -0.470 29.213 29.700 -0.028 0.000 0.742 438 E HN 0.538 nan 8.360 nan 0.000 0.466 439 A N -0.191 122.607 122.820 -0.036 0.000 1.902 439 A HA -0.171 3.830 4.320 -0.532 0.000 0.217 439 A C 2.342 179.921 177.584 -0.010 0.000 1.181 439 A CA 1.876 53.899 52.037 -0.022 0.000 0.623 439 A CB -0.670 18.313 19.000 -0.027 0.000 0.818 439 A HN 0.317 nan 8.150 nan 0.000 0.443 440 S N 0.384 116.074 115.700 -0.017 0.000 2.400 440 S HA -0.108 4.043 4.470 -0.532 0.000 0.232 440 S C 1.602 176.225 174.600 0.038 0.000 1.025 440 S CA 1.483 59.688 58.200 0.009 0.000 0.993 440 S CB -0.479 62.722 63.200 0.000 0.000 0.808 440 S HN 0.518 nan 8.310 nan 0.000 0.478 441 L N 1.314 122.555 121.223 0.030 0.000 2.478 441 L HA -0.011 4.010 4.340 -0.532 0.000 0.223 441 L C 1.895 178.796 176.870 0.052 0.000 1.140 441 L CA 0.416 55.286 54.840 0.051 0.000 0.842 441 L CB -0.599 41.484 42.059 0.040 0.000 0.953 441 L HN 0.149 nan 8.230 nan 0.000 0.452 442 D N 0.795 121.215 120.400 0.034 0.000 2.126 442 D HA -0.252 4.068 4.640 -0.532 0.000 0.190 442 D C 2.168 178.492 176.300 0.041 0.000 1.001 442 D CA 1.361 55.376 54.000 0.025 0.000 0.841 442 D CB -0.042 40.763 40.800 0.007 0.000 0.949 442 D HN 0.213 nan 8.370 nan 0.000 0.446 443 R N 0.137 120.677 120.500 0.066 0.000 2.096 443 R HA -0.187 3.834 4.340 -0.532 0.000 0.240 443 R C 2.411 178.837 176.300 0.210 0.000 1.139 443 R CA 1.207 57.373 56.100 0.110 0.000 0.952 443 R CB -0.435 29.950 30.300 0.142 0.000 0.854 443 R HN 0.170 nan 8.270 nan 0.000 0.436 444 L N 1.225 122.566 121.223 0.197 0.000 2.056 444 L HA -0.119 3.901 4.340 -0.532 0.000 0.207 444 L C 1.498 178.478 176.870 0.183 0.000 1.078 444 L CA 1.853 56.823 54.840 0.217 0.000 0.749 444 L CB -0.683 41.458 42.059 0.137 0.000 0.901 444 L HN 0.180 nan 8.230 nan 0.000 0.433 445 N N 0.036 118.800 118.700 0.107 0.000 2.205 445 N HA -0.214 4.207 4.740 -0.532 0.000 0.186 445 N C 1.976 177.518 175.510 0.054 0.000 1.015 445 N CA 1.258 54.349 53.050 0.069 0.000 0.862 445 N CB -0.386 38.123 38.487 0.038 0.000 0.986 445 N HN 0.432 nan 8.380 nan 0.000 0.429 446 R N -0.094 120.420 120.500 0.023 0.000 2.080 446 R HA -0.148 3.873 4.340 -0.532 0.000 0.236 446 R C 1.983 178.257 176.300 -0.043 0.000 1.137 446 R CA 1.619 57.675 56.100 -0.074 0.000 0.943 446 R CB -0.341 29.839 30.300 -0.200 0.000 0.846 446 R HN 0.264 nan 8.270 nan 0.000 0.431 447 W N 1.118 122.409 121.300 -0.015 0.000 2.342 447 W HA -0.138 4.202 4.660 -0.533 0.000 0.297 447 W C 2.024 178.530 176.519 -0.022 0.000 1.213 447 W CA 0.636 57.968 57.345 -0.022 0.000 1.251 447 W CB -0.334 29.108 29.460 -0.030 0.000 1.136 447 W HN 0.219 nan 8.180 nan 0.000 0.526 448 N N -0.132 118.696 118.700 0.213 0.000 2.453 448 N HA -0.118 4.303 4.740 -0.532 0.000 0.183 448 N C 0.685 176.240 175.510 0.074 0.000 1.041 448 N CA 1.228 54.348 53.050 0.116 0.000 0.900 448 N CB -0.470 38.065 38.487 0.079 0.000 0.961 448 N HN 0.415 nan 8.380 nan 0.000 0.443 449 N N -0.513 118.222 118.700 0.057 0.000 2.294 449 N HA 0.019 4.440 4.740 -0.532 0.000 0.186 449 N C -0.125 175.392 175.510 0.012 0.000 1.107 449 N CA -0.170 52.895 53.050 0.024 0.000 0.884 449 N CB 0.390 38.880 38.487 0.005 0.000 1.030 449 N HN 0.028 nan 8.380 nan 0.000 0.482 450 N N 1.584 120.292 118.700 0.013 0.000 2.415 450 N HA 0.111 4.532 4.740 -0.532 0.000 0.246 450 N C 0.188 175.717 175.510 0.032 0.000 1.078 450 N CA 0.174 53.219 53.050 -0.008 0.000 0.942 450 N CB 0.510 38.949 38.487 -0.079 0.000 1.140 450 N HN 0.092 nan 8.380 nan 0.000 0.501 451 R N 2.371 122.883 120.500 0.019 0.000 2.221 451 R HA 0.204 4.224 4.340 -0.532 0.000 0.195 451 R C 0.113 176.426 176.300 0.022 0.000 0.956 451 R CA 0.424 56.541 56.100 0.027 0.000 1.064 451 R CB 0.221 30.532 30.300 0.019 0.000 1.049 451 R HN 0.518 nan 8.270 nan 0.000 0.534 452 N N 0.283 118.988 118.700 0.008 0.000 2.204 452 N HA 0.103 4.524 4.740 -0.532 0.000 0.219 452 N C 0.677 176.187 175.510 0.000 0.000 1.151 452 N CA 0.126 53.179 53.050 0.005 0.000 0.867 452 N CB 1.051 39.538 38.487 -0.000 0.000 1.043 452 N HN 0.093 nan 8.380 nan 0.000 0.516 453 G N 0.205 109.003 108.800 -0.004 0.000 2.468 453 G HA2 0.089 3.729 3.960 -0.532 0.000 0.264 453 G HA3 0.089 3.729 3.960 -0.532 0.000 0.264 453 G C 0.203 175.104 174.900 0.002 0.000 1.460 453 G CA -0.324 44.765 45.100 -0.018 0.000 1.060 453 G HN 0.047 nan 8.290 nan 0.000 0.543 454 E N -0.113 120.085 120.200 -0.003 0.000 2.374 454 E HA 0.084 4.115 4.350 -0.532 0.000 0.260 454 E C -0.810 175.818 176.600 0.047 0.000 1.101 454 E CA -0.366 56.043 56.400 0.015 0.000 0.907 454 E CB 1.113 30.816 29.700 0.005 0.000 1.014 454 E HN 0.358 nan 8.360 nan 0.000 0.427 455 D N 2.417 122.844 120.400 0.045 0.000 2.338 455 D HA 0.034 4.355 4.640 -0.532 0.000 0.255 455 D C -1.568 174.775 176.300 0.072 0.000 1.237 455 D CA -2.044 51.990 54.000 0.057 0.000 0.883 455 D CB 0.961 41.784 40.800 0.037 0.000 1.087 455 D HN 0.058 nan 8.370 nan 0.000 0.485 456 P HA -0.154 nan 4.420 nan 0.000 0.218 456 P C 1.599 178.936 177.300 0.062 0.000 1.149 456 P CA 0.408 63.582 63.100 0.123 0.000 0.817 456 P CB 0.321 32.113 31.700 0.153 0.000 0.785 457 V N 1.349 121.286 119.914 0.038 0.000 2.252 457 V HA -0.290 3.511 4.120 -0.532 0.000 0.249 457 V C 2.842 178.951 176.094 0.025 0.000 1.056 457 V CA 2.579 64.892 62.300 0.021 0.000 1.022 457 V CB -1.816 30.015 31.823 0.014 0.000 0.641 457 V HN 0.133 nan 8.190 nan 0.000 0.445 458 A N -0.393 122.444 122.820 0.028 0.000 1.933 458 A HA -0.152 3.848 4.320 -0.532 0.000 0.218 458 A C 2.186 179.786 177.584 0.025 0.000 1.175 458 A CA 1.894 53.946 52.037 0.025 0.000 0.628 458 A CB -0.553 18.462 19.000 0.025 0.000 0.814 458 A HN 0.529 nan 8.150 nan 0.000 0.444 459 I N -0.708 119.883 120.570 0.034 0.000 2.226 459 I HA -0.269 3.582 4.170 -0.532 0.000 0.245 459 I C 2.735 178.868 176.117 0.026 0.000 1.100 459 I CA 1.772 63.093 61.300 0.035 0.000 1.374 459 I CB -0.369 37.663 38.000 0.054 0.000 1.057 459 I HN 0.452 nan 8.210 nan 0.000 0.413 460 R N 1.845 122.361 120.500 0.027 0.000 2.073 460 R HA -0.191 3.830 4.340 -0.532 0.000 0.234 460 R C 2.185 178.484 176.300 -0.001 0.000 1.134 460 R CA 1.590 57.697 56.100 0.012 0.000 0.952 460 R CB -0.153 30.155 30.300 0.013 0.000 0.850 460 R HN 0.277 nan 8.270 nan 0.000 0.433 461 K N 0.239 120.642 120.400 0.005 0.000 2.057 461 K HA -0.096 3.905 4.320 -0.532 0.000 0.207 461 K C 2.211 178.803 176.600 -0.013 0.000 1.049 461 K CA 1.419 57.706 56.287 -0.001 0.000 0.931 461 K CB -0.197 32.309 32.500 0.010 0.000 0.714 461 K HN 0.286 nan 8.250 nan 0.000 0.440 462 A N 1.853 124.670 122.820 -0.004 0.000 1.883 462 A HA -0.182 3.818 4.320 -0.532 0.000 0.217 462 A C 2.158 179.728 177.584 -0.022 0.000 1.186 462 A CA 1.292 53.326 52.037 -0.006 0.000 0.624 462 A CB -0.691 18.315 19.000 0.010 0.000 0.822 462 A HN 0.317 nan 8.150 nan 0.000 0.444 463 L N -0.706 120.502 121.223 -0.024 0.000 1.989 463 L HA -0.292 3.728 4.340 -0.532 0.000 0.211 463 L C 2.794 179.608 176.870 -0.094 0.000 1.071 463 L CA 2.224 57.036 54.840 -0.047 0.000 0.749 463 L CB -0.449 41.585 42.059 -0.042 0.000 0.890 463 L HN 0.501 nan 8.230 nan 0.000 0.431 464 Q N -0.523 119.222 119.800 -0.092 0.000 2.050 464 Q HA -0.300 3.720 4.340 -0.532 0.000 0.202 464 Q C 2.119 178.043 176.000 -0.126 0.000 0.980 464 Q CA 2.041 57.773 55.803 -0.118 0.000 0.840 464 Q CB -0.244 28.456 28.738 -0.062 0.000 0.898 464 Q HN 0.578 nan 8.270 nan 0.000 0.424 465 E N 0.193 120.316 120.200 -0.128 0.000 2.118 465 E HA -0.253 3.778 4.350 -0.532 0.000 0.195 465 E C 2.094 178.520 176.600 -0.290 0.000 0.992 465 E CA 1.266 57.515 56.400 -0.252 0.000 0.804 465 E CB -0.149 29.430 29.700 -0.201 0.000 0.741 465 E HN 0.412 nan 8.360 nan 0.000 0.458 466 C N 0.591 119.815 119.300 -0.125 0.000 2.436 466 C HA -0.150 3.990 4.460 -0.532 0.000 0.277 466 C C 2.663 177.681 174.990 0.046 0.000 1.241 466 C CA 1.075 60.080 59.018 -0.022 0.000 1.721 466 C CB -0.811 26.946 27.740 0.029 0.000 2.043 466 C HN 0.525 nan 8.230 nan 0.000 0.472 467 M N 0.364 119.943 119.600 -0.035 0.000 2.149 467 M HA -0.129 4.032 4.480 -0.532 0.000 0.261 467 M C 2.060 178.438 176.300 0.130 0.000 1.064 467 M CA 1.648 56.919 55.300 -0.048 0.000 1.102 467 M CB -1.760 30.436 32.600 -0.675 0.000 1.369 467 M HN 0.516 nan 8.290 nan 0.000 0.408 468 Q N 0.090 119.941 119.800 0.084 0.000 2.084 468 Q HA -0.134 3.887 4.340 -0.532 0.000 0.202 468 Q C 1.703 177.858 176.000 0.260 0.000 0.978 468 Q CA 1.885 57.831 55.803 0.237 0.000 0.844 468 Q CB -0.329 28.453 28.738 0.074 0.000 0.898 468 Q HN 0.687 nan 8.270 nan 0.000 0.426 469 H N -1.470 117.673 119.070 0.122 0.000 2.544 469 H HA 0.173 4.409 4.556 -0.533 0.000 0.269 469 H C 0.800 176.141 175.328 0.022 0.000 0.970 469 H CA 0.412 56.501 56.048 0.069 0.000 1.219 469 H CB 0.557 30.348 29.762 0.049 0.000 1.421 469 H HN 0.235 nan 8.280 nan 0.000 0.555 470 N N -0.282 118.482 118.700 0.107 0.000 2.317 470 N HA 0.031 4.451 4.740 -0.532 0.000 0.199 470 N C -0.302 174.902 175.510 -0.510 0.000 1.145 470 N CA 0.395 53.317 53.050 -0.214 0.000 0.882 470 N CB 0.783 39.069 38.487 -0.336 0.000 1.113 470 N HN 0.174 nan 8.380 nan 0.000 0.486 471 F N 0.192 120.237 119.950 0.159 0.000 2.810 471 F HA 0.383 4.591 4.527 -0.532 0.000 0.353 471 F C 1.042 177.039 175.800 0.329 0.000 1.227 471 F CA -0.480 57.646 58.000 0.210 0.000 1.210 471 F CB 0.416 39.515 39.000 0.165 0.000 1.039 471 F HN -0.223 nan 8.300 nan 0.000 0.509 472 S N -0.380 115.482 115.700 0.269 0.000 2.393 472 S HA 0.240 4.391 4.470 -0.532 0.000 0.255 472 S C 1.773 176.141 174.600 -0.387 0.000 1.210 472 S CA -0.076 58.101 58.200 -0.039 0.000 1.013 472 S CB 0.432 63.585 63.200 -0.077 0.000 1.055 472 S HN -0.024 nan 8.310 nan 0.000 0.483 473 V N 0.419 119.858 119.914 -0.792 0.000 2.287 473 V HA -0.022 3.779 4.120 -0.532 0.000 0.248 473 V C 0.450 176.165 176.094 -0.631 0.000 1.053 473 V CA 1.496 63.311 62.300 -0.809 0.000 1.027 473 V CB -0.751 30.557 31.823 -0.859 0.000 0.646 473 V HN 0.554 nan 8.190 nan 0.000 0.447 474 F N -0.187 119.617 119.950 -0.243 0.000 2.436 474 F HA 0.664 4.852 4.527 -0.564 0.000 0.340 474 F C 0.436 176.097 175.800 -0.231 0.000 1.113 474 F CA -0.864 56.949 58.000 -0.313 0.000 1.022 474 F CB 1.148 39.996 39.000 -0.254 0.000 1.128 474 F HN -0.126 nan 8.300 nan 0.000 0.466 475 R N 1.735 122.168 120.500 -0.112 0.000 2.740 475 R HA 0.562 4.582 4.340 -0.532 0.000 0.282 475 R C -1.009 175.271 176.300 -0.033 0.000 0.969 475 R CA -1.067 54.989 56.100 -0.072 0.000 0.918 475 R CB 2.660 32.913 30.300 -0.077 0.000 1.175 475 R HN 0.761 nan 8.270 nan 0.000 0.464 476 E N 0.234 120.457 120.200 0.038 0.000 2.312 476 E HA 0.359 4.389 4.350 -0.532 0.000 0.267 476 E C 0.192 176.824 176.600 0.052 0.000 0.894 476 E CA -1.060 55.400 56.400 0.100 0.000 0.773 476 E CB 1.797 31.598 29.700 0.168 0.000 1.241 476 E HN 0.552 nan 8.360 nan 0.000 0.432 477 G N 2.100 110.952 108.800 0.087 0.000 2.442 477 G HA2 -0.294 3.346 3.960 -0.532 0.000 0.219 477 G HA3 -0.294 3.346 3.960 -0.532 0.000 0.219 477 G C 0.728 175.665 174.900 0.062 0.000 1.141 477 G CA 1.207 46.367 45.100 0.099 0.000 0.763 477 G HN 0.589 nan 8.290 nan 0.000 0.554 478 D N 0.915 121.340 120.400 0.042 0.000 2.084 478 D HA 0.003 4.324 4.640 -0.532 0.000 0.194 478 D C 2.864 179.170 176.300 0.009 0.000 0.990 478 D CA 1.378 55.396 54.000 0.029 0.000 0.826 478 D CB -0.658 40.154 40.800 0.020 0.000 0.971 478 D HN 0.276 nan 8.370 nan 0.000 0.453 479 A N 0.742 123.551 122.820 -0.018 0.000 1.892 479 A HA -0.221 3.780 4.320 -0.532 0.000 0.218 479 A C 2.262 179.770 177.584 -0.127 0.000 1.188 479 A CA 1.777 53.777 52.037 -0.063 0.000 0.631 479 A CB -0.668 18.281 19.000 -0.085 0.000 0.822 479 A HN 0.183 nan 8.150 nan 0.000 0.447 480 M N -0.782 118.715 119.600 -0.171 0.000 2.213 480 M HA -0.144 4.017 4.480 -0.532 0.000 0.263 480 M C 2.466 178.799 176.300 0.055 0.000 1.062 480 M CA 1.344 56.518 55.300 -0.211 0.000 1.105 480 M CB -0.447 32.098 32.600 -0.093 0.000 1.385 480 M HN 0.515 nan 8.290 nan 0.000 0.417 481 A N 0.232 123.089 122.820 0.062 0.000 1.968 481 A HA -0.126 3.875 4.320 -0.532 0.000 0.217 481 A C 2.116 179.754 177.584 0.090 0.000 1.169 481 A CA 1.488 53.581 52.037 0.094 0.000 0.638 481 A CB -0.305 18.744 19.000 0.083 0.000 0.812 481 A HN 0.374 nan 8.150 nan 0.000 0.446 482 K N -0.817 119.622 120.400 0.064 0.000 2.137 482 K HA 0.046 4.047 4.320 -0.532 0.000 0.202 482 K C 2.111 178.767 176.600 0.094 0.000 1.052 482 K CA 0.794 57.122 56.287 0.068 0.000 0.961 482 K CB -0.326 32.202 32.500 0.046 0.000 0.741 482 K HN 0.412 nan 8.250 nan 0.000 0.452 483 G N 1.474 110.334 108.800 0.100 0.000 2.446 483 G HA2 -0.260 3.381 3.960 -0.532 0.000 0.217 483 G HA3 -0.260 3.381 3.960 -0.532 0.000 0.217 483 G C 1.373 176.421 174.900 0.248 0.000 1.168 483 G CA 0.702 45.919 45.100 0.194 0.000 0.771 483 G HN 0.179 nan 8.290 nan 0.000 0.551 484 L N 0.593 121.974 121.223 0.263 0.000 2.079 484 L HA -0.015 4.005 4.340 -0.532 0.000 0.210 484 L C 2.524 179.486 176.870 0.155 0.000 1.081 484 L CA 1.885 56.834 54.840 0.182 0.000 0.752 484 L CB -0.406 41.743 42.059 0.150 0.000 0.896 484 L HN 0.119 nan 8.230 nan 0.000 0.433 485 E N -0.397 119.885 120.200 0.136 0.000 2.072 485 E HA -0.204 3.827 4.350 -0.532 0.000 0.191 485 E C 2.174 178.841 176.600 0.111 0.000 0.985 485 E CA 1.206 57.678 56.400 0.118 0.000 0.801 485 E CB -0.239 29.517 29.700 0.094 0.000 0.750 485 E HN 0.680 nan 8.360 nan 0.000 0.452 486 Q N 0.231 120.096 119.800 0.107 0.000 2.167 486 Q HA -0.040 3.981 4.340 -0.532 0.000 0.202 486 Q C 2.395 178.452 176.000 0.096 0.000 0.970 486 Q CA 0.715 56.572 55.803 0.091 0.000 0.855 486 Q CB -0.054 28.735 28.738 0.086 0.000 0.911 486 Q HN 0.243 nan 8.270 nan 0.000 0.438 487 L N 0.605 121.905 121.223 0.129 0.000 2.027 487 L HA -0.196 3.825 4.340 -0.532 0.000 0.206 487 L C 2.265 179.225 176.870 0.150 0.000 1.074 487 L CA 1.235 56.162 54.840 0.144 0.000 0.745 487 L CB -0.411 41.762 42.059 0.190 0.000 0.898 487 L HN 0.166 nan 8.230 nan 0.000 0.433 488 K N -0.238 120.276 120.400 0.190 0.000 2.089 488 K HA -0.199 3.802 4.320 -0.532 0.000 0.210 488 K C 2.001 178.635 176.600 0.055 0.000 1.048 488 K CA 1.546 57.910 56.287 0.129 0.000 0.926 488 K CB -0.405 32.185 32.500 0.150 0.000 0.714 488 K HN 0.140 nan 8.250 nan 0.000 0.448 489 V N 1.852 121.803 119.914 0.061 0.000 2.261 489 V HA -0.247 3.554 4.120 -0.532 0.000 0.246 489 V C 2.253 178.361 176.094 0.024 0.000 1.047 489 V CA 1.694 64.016 62.300 0.037 0.000 1.015 489 V CB -0.400 31.448 31.823 0.042 0.000 0.642 489 V HN 0.276 nan 8.190 nan 0.000 0.446 490 I N -0.179 120.410 120.570 0.033 0.000 2.208 490 I HA -0.282 3.569 4.170 -0.532 0.000 0.245 490 I C 2.743 178.864 176.117 0.006 0.000 1.097 490 I CA 1.798 63.111 61.300 0.023 0.000 1.363 490 I CB -0.488 37.530 38.000 0.030 0.000 1.051 490 I HN 0.251 nan 8.210 nan 0.000 0.413 491 R N 0.817 121.316 120.500 -0.002 0.000 2.148 491 R HA -0.144 3.876 4.340 -0.532 0.000 0.223 491 R C 1.948 178.215 176.300 -0.054 0.000 1.088 491 R CA 1.076 57.152 56.100 -0.040 0.000 0.985 491 R CB 0.049 30.295 30.300 -0.090 0.000 0.880 491 R HN 0.317 nan 8.270 nan 0.000 0.451 492 E N 0.802 120.978 120.200 -0.039 0.000 2.046 492 E HA -0.133 3.898 4.350 -0.532 0.000 0.190 492 E C 2.046 178.617 176.600 -0.047 0.000 0.982 492 E CA 0.953 57.327 56.400 -0.044 0.000 0.800 492 E CB -0.152 29.532 29.700 -0.026 0.000 0.756 492 E HN 0.343 nan 8.360 nan 0.000 0.449 493 R N 0.376 120.858 120.500 -0.030 0.000 2.127 493 R HA -0.145 3.876 4.340 -0.532 0.000 0.238 493 R C 2.335 178.607 176.300 -0.047 0.000 1.134 493 R CA 0.921 57.005 56.100 -0.028 0.000 0.975 493 R CB -0.319 29.977 30.300 -0.006 0.000 0.865 493 R HN 0.073 nan 8.270 nan 0.000 0.447 494 L N 1.273 122.467 121.223 -0.049 0.000 2.240 494 L HA -0.049 3.971 4.340 -0.532 0.000 0.211 494 L C 1.310 178.075 176.870 -0.175 0.000 1.106 494 L CA 1.712 56.514 54.840 -0.064 0.000 0.793 494 L CB -0.089 41.965 42.059 -0.008 0.000 0.927 494 L HN -0.103 nan 8.230 nan 0.000 0.446 495 K N -0.472 119.835 120.400 -0.155 0.000 2.574 495 K HA -0.099 3.902 4.320 -0.532 0.000 0.193 495 K C 0.665 177.124 176.600 -0.235 0.000 1.035 495 K CA 0.926 57.093 56.287 -0.199 0.000 0.982 495 K CB -0.168 32.251 32.500 -0.136 0.000 0.795 495 K HN 0.306 nan 8.250 nan 0.000 0.491 496 N N -0.152 118.424 118.700 -0.208 0.000 2.377 496 N HA 0.139 4.560 4.740 -0.532 0.000 0.259 496 N C -1.133 174.271 175.510 -0.176 0.000 1.332 496 N CA -0.227 52.716 53.050 -0.179 0.000 0.877 496 N CB 0.741 39.165 38.487 -0.105 0.000 1.299 496 N HN 0.056 nan 8.380 nan 0.000 0.501 497 A N 0.729 123.385 122.820 -0.274 0.000 2.286 497 A HA 0.649 4.650 4.320 -0.532 0.000 0.286 497 A C 0.163 177.681 177.584 -0.110 0.000 1.097 497 A CA -0.553 51.398 52.037 -0.142 0.000 0.821 497 A CB 0.448 19.422 19.000 -0.044 0.000 1.076 497 A HN 0.519 nan 8.150 nan 0.000 0.490 498 R N 0.521 121.106 120.500 0.143 0.000 2.589 498 R HA 0.662 4.682 4.340 -0.532 0.000 0.293 498 R C -1.381 175.133 176.300 0.357 0.000 0.963 498 R CA -0.767 55.446 56.100 0.188 0.000 0.905 498 R CB 1.027 31.384 30.300 0.094 0.000 1.144 498 R HN 0.458 nan 8.270 nan 0.000 0.459 499 L N 3.403 124.827 121.223 0.335 0.000 2.282 499 L HA 0.247 4.268 4.340 -0.532 0.000 0.287 499 L C -0.083 176.844 176.870 0.095 0.000 1.075 499 L CA 0.109 55.076 54.840 0.212 0.000 0.839 499 L CB 0.808 42.996 42.059 0.215 0.000 1.219 499 L HN 0.736 nan 8.230 nan 0.000 0.434 500 D N 1.453 121.887 120.400 0.057 0.000 2.312 500 D HA -0.067 4.254 4.640 -0.532 0.000 0.211 500 D C -0.102 176.205 176.300 0.012 0.000 0.964 500 D CA 0.913 54.932 54.000 0.031 0.000 0.877 500 D CB 0.224 41.037 40.800 0.022 0.000 0.924 500 D HN 0.580 nan 8.370 nan 0.000 0.515 501 D N -0.906 119.491 120.400 -0.004 0.000 2.344 501 D HA 0.093 4.414 4.640 -0.532 0.000 0.239 501 D C 0.421 176.713 176.300 -0.014 0.000 1.064 501 D CA -0.162 53.830 54.000 -0.014 0.000 0.829 501 D CB 1.653 42.434 40.800 -0.030 0.000 1.129 501 D HN -0.248 nan 8.370 nan 0.000 0.506 502 T N 1.291 115.842 114.554 -0.004 0.000 3.022 502 T HA 0.085 4.115 4.350 -0.532 0.000 0.250 502 T C 0.812 175.508 174.700 -0.007 0.000 1.060 502 T CA 0.383 62.483 62.100 0.001 0.000 1.013 502 T CB -0.038 68.835 68.868 0.009 0.000 0.982 502 T HN 0.477 nan 8.240 nan 0.000 0.508 503 S N 0.863 116.556 115.700 -0.011 0.000 2.606 503 S HA 0.235 4.386 4.470 -0.532 0.000 0.257 503 S C 1.235 175.823 174.600 -0.021 0.000 1.327 503 S CA 0.096 58.291 58.200 -0.010 0.000 0.984 503 S CB 0.985 64.183 63.200 -0.003 0.000 0.941 503 S HN 0.407 nan 8.310 nan 0.000 0.576 504 S N -1.980 113.711 115.700 -0.015 0.000 2.649 504 S HA 0.238 4.388 4.470 -0.532 0.000 0.246 504 S C -0.005 174.582 174.600 -0.021 0.000 1.057 504 S CA -0.270 57.914 58.200 -0.028 0.000 1.051 504 S CB -0.299 62.889 63.200 -0.019 0.000 1.018 504 S HN 0.725 nan 8.310 nan 0.000 0.569 505 E N 1.750 121.956 120.200 0.011 0.000 1.963 505 E HA 0.450 4.481 4.350 -0.532 0.000 0.274 505 E C -0.779 175.902 176.600 0.135 0.000 1.061 505 E CA -0.810 55.621 56.400 0.052 0.000 0.847 505 E CB -0.871 28.859 29.700 0.049 0.000 1.083 505 E HN 0.269 nan 8.360 nan 0.000 0.402 506 F N 3.383 123.296 119.950 -0.062 0.000 2.807 506 F HA -0.273 3.934 4.527 -0.532 0.000 0.297 506 F C -0.457 175.302 175.800 -0.068 0.000 1.024 506 F CA 0.361 58.322 58.000 -0.064 0.000 1.008 506 F CB -0.397 38.574 39.000 -0.048 0.000 1.142 506 F HN 0.470 nan 8.300 nan 0.000 0.829 507 N N 1.650 120.300 118.700 -0.084 0.000 2.719 507 N HA 0.126 4.547 4.740 -0.532 0.000 0.243 507 N C 1.287 176.704 175.510 -0.156 0.000 1.104 507 N CA 0.495 53.498 53.050 -0.078 0.000 0.981 507 N CB 0.755 39.186 38.487 -0.093 0.000 1.290 507 N HN 0.452 nan 8.380 nan 0.000 0.513 508 T N 0.312 114.811 114.554 -0.091 0.000 2.929 508 T HA -0.200 3.831 4.350 -0.532 0.000 0.271 508 T C 1.478 176.076 174.700 -0.170 0.000 1.085 508 T CA 1.056 63.077 62.100 -0.133 0.000 1.125 508 T CB 0.042 68.897 68.868 -0.022 0.000 0.874 508 T HN 0.367 nan 8.240 nan 0.000 0.494 509 Q N 1.671 121.384 119.800 -0.145 0.000 2.084 509 Q HA -0.026 3.995 4.340 -0.532 0.000 0.202 509 Q C 2.454 178.291 176.000 -0.273 0.000 0.978 509 Q CA 1.630 57.329 55.803 -0.173 0.000 0.844 509 Q CB -0.412 28.255 28.738 -0.119 0.000 0.898 509 Q HN 0.656 nan 8.270 nan 0.000 0.426 510 R N -0.834 119.500 120.500 -0.277 0.000 2.096 510 R HA -0.098 3.923 4.340 -0.532 0.000 0.235 510 R C 1.942 177.943 176.300 -0.498 0.000 1.127 510 R CA 1.414 57.294 56.100 -0.367 0.000 0.968 510 R CB -0.174 29.966 30.300 -0.267 0.000 0.861 510 R HN 0.248 nan 8.270 nan 0.000 0.440 511 V N 1.397 121.030 119.914 -0.468 0.000 2.295 511 V HA -0.217 3.584 4.120 -0.532 0.000 0.246 511 V C 1.949 177.725 176.094 -0.530 0.000 1.049 511 V CA 2.064 63.990 62.300 -0.625 0.000 1.024 511 V CB -0.422 31.095 31.823 -0.511 0.000 0.648 511 V HN 0.428 nan 8.190 nan 0.000 0.447 512 E N -1.075 118.900 120.200 -0.375 0.000 2.204 512 E HA -0.179 3.851 4.350 -0.532 0.000 0.194 512 E C 2.192 178.584 176.600 -0.347 0.000 0.989 512 E CA 1.383 57.615 56.400 -0.280 0.000 0.824 512 E CB -0.217 29.363 29.700 -0.201 0.000 0.756 512 E HN 0.613 nan 8.360 nan 0.000 0.477 513 C N 0.439 119.401 119.300 -0.564 0.000 2.486 513 C HA -0.006 4.135 4.460 -0.532 0.000 0.279 513 C C 2.522 177.006 174.990 -0.844 0.000 1.302 513 C CA 0.152 58.606 59.018 -0.940 0.000 1.720 513 C CB -0.740 25.948 27.740 -1.754 0.000 2.030 513 C HN 0.400 nan 8.230 nan 0.000 0.490 514 L N 0.750 121.537 121.223 -0.727 0.000 2.083 514 L HA -0.178 3.843 4.340 -0.532 0.000 0.209 514 L C 2.601 179.425 176.870 -0.077 0.000 1.083 514 L CA 1.568 56.197 54.840 -0.352 0.000 0.752 514 L CB -0.643 41.178 42.059 -0.397 0.000 0.899 514 L HN 0.460 nan 8.230 nan 0.000 0.433 515 E N -0.180 119.940 120.200 -0.133 0.000 2.072 515 E HA -0.251 3.780 4.350 -0.532 0.000 0.191 515 E C 2.103 178.722 176.600 0.031 0.000 0.985 515 E CA 0.927 57.344 56.400 0.029 0.000 0.801 515 E CB -0.163 29.538 29.700 0.001 0.000 0.750 515 E HN 0.237 nan 8.360 nan 0.000 0.452 516 L N 1.896 123.110 121.223 -0.014 0.000 2.081 516 L HA -0.220 3.801 4.340 -0.532 0.000 0.212 516 L C 1.448 178.383 176.870 0.108 0.000 1.080 516 L CA 1.855 56.722 54.840 0.045 0.000 0.754 516 L CB -0.382 41.710 42.059 0.055 0.000 0.893 516 L HN 0.000 nan 8.230 nan 0.000 0.433 517 D N -0.410 120.093 120.400 0.173 0.000 2.158 517 D HA -0.180 4.141 4.640 -0.532 0.000 0.197 517 D C 1.807 178.171 176.300 0.107 0.000 0.995 517 D CA 1.257 55.365 54.000 0.179 0.000 0.846 517 D CB -0.195 40.750 40.800 0.242 0.000 0.941 517 D HN 0.474 nan 8.370 nan 0.000 0.456 518 N N 0.180 118.939 118.700 0.098 0.000 2.290 518 N HA 0.003 4.424 4.740 -0.532 0.000 0.179 518 N C 2.161 177.700 175.510 0.048 0.000 1.016 518 N CA 0.087 53.181 53.050 0.073 0.000 0.871 518 N CB -0.267 38.268 38.487 0.080 0.000 0.987 518 N HN 0.224 nan 8.380 nan 0.000 0.431 519 L N 0.450 121.697 121.223 0.039 0.000 2.043 519 L HA -0.222 3.799 4.340 -0.532 0.000 0.212 519 L C 2.412 179.280 176.870 -0.003 0.000 1.075 519 L CA 1.203 56.048 54.840 0.008 0.000 0.752 519 L CB -0.299 41.760 42.059 -0.000 0.000 0.891 519 L HN 0.167 nan 8.230 nan 0.000 0.432 520 M N -0.135 119.477 119.600 0.019 0.000 2.066 520 M HA -0.183 3.978 4.480 -0.532 0.000 0.259 520 M C 2.182 178.497 176.300 0.025 0.000 1.074 520 M CA 1.795 57.104 55.300 0.016 0.000 1.114 520 M CB -0.482 32.132 32.600 0.023 0.000 1.306 520 M HN 0.028 nan 8.290 nan 0.000 0.411 521 E N -0.357 119.860 120.200 0.028 0.000 2.114 521 E HA -0.214 3.817 4.350 -0.532 0.000 0.199 521 E C 2.059 178.679 176.600 0.034 0.000 1.008 521 E CA 2.155 58.579 56.400 0.040 0.000 0.810 521 E CB -1.085 28.643 29.700 0.046 0.000 0.739 521 E HN 0.598 nan 8.360 nan 0.000 0.456 522 T N 1.169 115.735 114.554 0.020 0.000 2.674 522 T HA -0.105 3.926 4.350 -0.532 0.000 0.265 522 T C 1.962 176.646 174.700 -0.027 0.000 1.039 522 T CA 1.739 63.848 62.100 0.015 0.000 1.150 522 T CB -0.325 68.579 68.868 0.060 0.000 0.864 522 T HN 0.335 nan 8.240 nan 0.000 0.427 523 A N 0.278 123.058 122.820 -0.067 0.000 1.940 523 A HA -0.145 3.856 4.320 -0.532 0.000 0.219 523 A C 2.102 179.571 177.584 -0.192 0.000 1.176 523 A CA 1.747 53.677 52.037 -0.178 0.000 0.631 523 A CB -0.993 17.901 19.000 -0.177 0.000 0.814 523 A HN 0.614 nan 8.150 nan 0.000 0.446 524 Y N 0.257 120.429 120.300 -0.213 0.000 2.133 524 Y HA 0.000 4.231 4.550 -0.531 0.000 0.287 524 Y C 2.713 178.415 175.900 -0.331 0.000 1.134 524 Y CA 1.312 59.282 58.100 -0.217 0.000 1.133 524 Y CB -0.574 37.809 38.460 -0.128 0.000 0.987 524 Y HN 0.292 nan 8.280 nan 0.000 0.502 525 A N -0.887 121.735 122.820 -0.331 0.000 1.978 525 A HA -0.183 3.818 4.320 -0.532 0.000 0.220 525 A C 2.182 179.474 177.584 -0.485 0.000 1.170 525 A CA 2.208 53.780 52.037 -0.775 0.000 0.636 525 A CB -1.274 17.276 19.000 -0.751 0.000 0.810 525 A HN 0.529 nan 8.150 nan 0.000 0.448 526 T N 0.170 114.551 114.554 -0.288 0.000 2.708 526 T HA -0.008 4.023 4.350 -0.532 0.000 0.266 526 T C 2.271 176.762 174.700 -0.347 0.000 1.037 526 T CA 1.623 63.620 62.100 -0.172 0.000 1.146 526 T CB -0.439 68.416 68.868 -0.022 0.000 0.865 526 T HN 0.602 nan 8.240 nan 0.000 0.435 527 A N 0.962 123.405 122.820 -0.629 0.000 1.873 527 A HA -0.034 3.967 4.320 -0.532 0.000 0.215 527 A C 2.584 180.013 177.584 -0.259 0.000 1.186 527 A CA 1.290 52.858 52.037 -0.782 0.000 0.616 527 A CB -1.096 17.418 19.000 -0.811 0.000 0.823 527 A HN 0.328 nan 8.150 nan 0.000 0.442 528 V N 0.050 119.737 119.914 -0.378 0.000 2.392 528 V HA -0.243 3.558 4.120 -0.532 0.000 0.249 528 V C 2.793 178.877 176.094 -0.017 0.000 1.059 528 V CA 2.386 64.562 62.300 -0.207 0.000 1.051 528 V CB -0.681 30.978 31.823 -0.273 0.000 0.658 528 V HN 0.572 nan 8.190 nan 0.000 0.455 529 S N -0.129 115.536 115.700 -0.057 0.000 2.357 529 S HA -0.058 4.092 4.470 -0.532 0.000 0.221 529 S C 2.243 176.895 174.600 0.087 0.000 1.031 529 S CA 1.179 59.409 58.200 0.050 0.000 0.982 529 S CB -0.445 62.748 63.200 -0.010 0.000 0.853 529 S HN 0.641 nan 8.310 nan 0.000 0.458 530 A N 2.280 125.153 122.820 0.088 0.000 1.940 530 A HA -0.193 3.808 4.320 -0.532 0.000 0.219 530 A C 1.874 179.614 177.584 0.259 0.000 1.176 530 A CA 1.900 54.056 52.037 0.197 0.000 0.631 530 A CB -0.813 18.489 19.000 0.502 0.000 0.814 530 A HN 0.463 nan 8.150 nan 0.000 0.446 531 N N -1.044 117.812 118.700 0.261 0.000 2.084 531 N HA -0.126 4.295 4.740 -0.532 0.000 0.190 531 N C 1.344 176.949 175.510 0.158 0.000 1.030 531 N CA 1.557 54.737 53.050 0.216 0.000 0.849 531 N CB -0.544 38.069 38.487 0.210 0.000 1.012 531 N HN 0.496 nan 8.380 nan 0.000 0.423 532 F N 1.668 121.634 119.950 0.027 0.000 2.091 532 F HA -0.086 4.121 4.527 -0.532 0.000 0.299 532 F C 1.046 176.759 175.800 -0.144 0.000 1.103 532 F CA 1.031 59.053 58.000 0.037 0.000 1.228 532 F CB -0.136 38.923 39.000 0.098 0.000 0.984 532 F HN -0.114 nan 8.300 nan 0.000 0.477 533 R N 1.220 121.458 120.500 -0.437 0.000 2.309 533 R HA 0.087 4.108 4.340 -0.532 0.000 0.331 533 R C -0.380 175.376 176.300 -0.908 0.000 1.116 533 R CA 0.547 55.949 56.100 -1.164 0.000 0.970 533 R CB -0.226 29.547 30.300 -0.878 0.000 1.024 533 R HN 0.274 nan 8.270 nan 0.000 0.472 534 T N 1.673 115.466 114.554 -1.270 0.000 3.591 534 T HA 0.187 4.218 4.350 -0.532 0.000 0.232 534 T C -0.174 173.888 174.700 -1.064 0.000 1.116 534 T CA -0.547 60.868 62.100 -1.141 0.000 1.063 534 T CB -0.415 67.731 68.868 -1.203 0.000 1.227 534 T HN 0.784 nan 8.240 nan 0.000 0.685 535 E N -0.641 119.178 120.200 -0.634 0.000 2.343 535 E HA 0.673 4.704 4.350 -0.532 0.000 0.257 535 E C -1.450 175.111 176.600 -0.066 0.000 1.079 535 E CA -1.309 54.942 56.400 -0.249 0.000 0.891 535 E CB 0.707 30.232 29.700 -0.292 0.000 1.732 535 E HN -0.018 nan 8.360 nan 0.000 0.465 536 S N -0.416 115.289 115.700 0.008 0.000 2.779 536 S HA 0.553 4.704 4.470 -0.532 0.000 0.293 536 S C -1.328 173.312 174.600 0.068 0.000 1.150 536 S CA -0.671 57.536 58.200 0.011 0.000 1.057 536 S CB 0.973 64.170 63.200 -0.004 0.000 1.021 536 S HN 0.449 nan 8.310 nan 0.000 0.485 537 R N 2.115 122.679 120.500 0.107 0.000 2.548 537 R HA 0.578 4.599 4.340 -0.532 0.000 0.280 537 R C 0.710 177.090 176.300 0.133 0.000 1.061 537 R CA 0.375 56.548 56.100 0.122 0.000 0.915 537 R CB 1.161 31.537 30.300 0.126 0.000 1.210 537 R HN 0.872 nan 8.270 nan 0.000 0.442 538 G N 2.317 111.189 108.800 0.121 0.000 2.622 538 G HA2 -0.466 3.174 3.960 -0.532 0.000 0.307 538 G HA3 -0.466 3.174 3.960 -0.532 0.000 0.307 538 G C 0.785 175.747 174.900 0.103 0.000 1.226 538 G CA 0.758 45.926 45.100 0.114 0.000 0.997 538 G HN 0.852 nan 8.290 nan 0.000 0.551 539 A N -0.761 122.138 122.820 0.131 0.000 1.968 539 A HA 0.223 4.224 4.320 -0.532 0.000 0.217 539 A C 1.340 179.014 177.584 0.150 0.000 1.169 539 A CA 1.966 54.089 52.037 0.144 0.000 0.638 539 A CB -0.498 18.635 19.000 0.223 0.000 0.812 539 A HN 1.524 nan 8.150 nan 0.000 0.446 540 H N 0.556 119.672 119.070 0.077 0.000 3.026 540 H HA 0.455 4.693 4.556 -0.530 0.000 0.289 540 H C -0.642 174.687 175.328 0.001 0.000 1.022 540 H CA 0.499 56.581 56.048 0.057 0.000 1.477 540 H CB 0.186 29.975 29.762 0.045 0.000 1.510 540 H HN 0.083 nan 8.280 nan 0.000 0.535 541 S N 5.667 121.153 115.700 -0.357 0.000 2.774 541 S HA 0.426 4.576 4.470 -0.532 0.000 0.297 541 S C -0.786 173.578 174.600 -0.393 0.000 1.143 541 S CA -0.851 57.160 58.200 -0.314 0.000 1.090 541 S CB 0.126 63.196 63.200 -0.218 0.000 1.019 541 S HN 0.727 nan 8.310 nan 0.000 0.482 542 R N 2.782 123.065 120.500 -0.361 0.000 2.407 542 R HA 0.411 4.432 4.340 -0.532 0.000 0.303 542 R C 0.022 176.225 176.300 -0.161 0.000 0.981 542 R CA -0.591 55.367 56.100 -0.236 0.000 0.905 542 R CB 0.651 30.911 30.300 -0.067 0.000 1.099 542 R HN 0.508 nan 8.270 nan 0.000 0.459 543 F N 1.329 121.284 119.950 0.008 0.000 2.259 543 F HA -0.134 4.065 4.527 -0.546 0.000 0.298 543 F C 2.040 177.800 175.800 -0.066 0.000 1.088 543 F CA 1.214 59.193 58.000 -0.036 0.000 1.358 543 F CB -0.073 38.881 39.000 -0.077 0.000 1.040 543 F HN 0.588 nan 8.300 nan 0.000 0.505 544 D N -1.403 119.053 120.400 0.092 0.000 2.349 544 D HA -0.118 4.202 4.640 -0.532 0.000 0.224 544 D C -0.113 175.904 176.300 -0.471 0.000 1.029 544 D CA 0.530 54.438 54.000 -0.154 0.000 0.879 544 D CB -0.563 40.148 40.800 -0.148 0.000 0.906 544 D HN 0.228 nan 8.370 nan 0.000 0.528 545 F N -0.457 119.504 119.950 0.017 0.000 2.946 545 F HA 0.283 4.490 4.527 -0.534 0.000 0.375 545 F C -2.165 173.630 175.800 -0.009 0.000 1.320 545 F CA -1.662 56.339 58.000 0.003 0.000 1.181 545 F CB 2.094 41.078 39.000 -0.027 0.000 2.051 545 F HN -0.230 nan 8.300 nan 0.000 0.622 546 P HA 0.025 nan 4.420 nan 0.000 0.241 546 P C -0.279 177.079 177.300 0.097 0.000 1.191 546 P CA 0.880 64.036 63.100 0.094 0.000 0.771 546 P CB 0.317 32.075 31.700 0.096 0.000 0.929 547 D N -0.057 120.414 120.400 0.120 0.000 2.193 547 D HA 0.173 4.494 4.640 -0.532 0.000 0.249 547 D C 0.158 176.524 176.300 0.110 0.000 1.034 547 D CA -0.457 53.609 54.000 0.109 0.000 0.902 547 D CB 1.070 41.936 40.800 0.110 0.000 1.182 547 D HN -0.145 nan 8.370 nan 0.000 0.436 548 R N 1.377 121.937 120.500 0.099 0.000 2.248 548 R HA 0.062 4.083 4.340 -0.532 0.000 0.328 548 R C -0.724 175.648 176.300 0.119 0.000 1.067 548 R CA -0.334 55.828 56.100 0.105 0.000 0.924 548 R CB 0.359 30.720 30.300 0.101 0.000 1.013 548 R HN 0.225 nan 8.270 nan 0.000 0.454 549 D N 3.397 123.892 120.400 0.160 0.000 2.499 549 D HA 0.077 4.397 4.640 -0.532 0.000 0.225 549 D C -0.280 176.131 176.300 0.183 0.000 1.124 549 D CA -0.382 53.734 54.000 0.195 0.000 0.938 549 D CB 0.908 41.889 40.800 0.302 0.000 1.014 549 D HN 0.437 nan 8.370 nan 0.000 0.517 550 D N 1.923 122.386 120.400 0.105 0.000 2.371 550 D HA -0.050 4.271 4.640 -0.532 0.000 0.221 550 D C 1.210 177.532 176.300 0.036 0.000 0.986 550 D CA 0.538 54.579 54.000 0.069 0.000 0.899 550 D CB 0.442 41.256 40.800 0.023 0.000 0.902 550 D HN 0.605 nan 8.370 nan 0.000 0.530 551 E N -0.364 119.856 120.200 0.034 0.000 2.250 551 E HA 0.067 4.098 4.350 -0.532 0.000 0.192 551 E C 1.130 177.688 176.600 -0.070 0.000 0.986 551 E CA 0.331 56.725 56.400 -0.009 0.000 0.849 551 E CB 0.344 30.045 29.700 0.002 0.000 0.797 551 E HN 0.192 nan 8.360 nan 0.000 0.482 552 N N -1.336 117.304 118.700 -0.101 0.000 2.239 552 N HA 0.039 4.460 4.740 -0.532 0.000 0.208 552 N C 0.167 175.276 175.510 -0.668 0.000 1.200 552 N CA 0.222 53.041 53.050 -0.385 0.000 0.895 552 N CB 0.520 38.739 38.487 -0.448 0.000 1.085 552 N HN 0.153 nan 8.380 nan 0.000 0.500 553 W N 0.770 122.048 121.300 -0.037 0.000 2.467 553 W HA 0.383 4.726 4.660 -0.529 0.000 0.369 553 W C 0.009 176.516 176.519 -0.020 0.000 0.938 553 W CA -0.431 56.891 57.345 -0.037 0.000 1.845 553 W CB 0.278 29.709 29.460 -0.049 0.000 1.167 553 W HN -0.160 nan 8.180 nan 0.000 0.558 554 L N 3.555 124.843 121.223 0.107 0.000 2.376 554 L HA 0.319 4.339 4.340 -0.532 0.000 0.250 554 L C 0.257 177.131 176.870 0.007 0.000 1.335 554 L CA -0.198 54.681 54.840 0.064 0.000 1.214 554 L CB -1.338 40.742 42.059 0.034 0.000 1.395 554 L HN 0.193 nan 8.230 nan 0.000 0.424 555 C N -0.662 118.644 119.300 0.009 0.000 3.211 555 C HA 0.462 4.602 4.460 -0.532 0.000 0.350 555 C C -0.428 174.515 174.990 -0.079 0.000 1.413 555 C CA -1.177 57.798 59.018 -0.072 0.000 1.203 555 C CB 1.264 29.009 27.740 0.010 0.000 1.506 555 C HN 0.488 nan 8.230 nan 0.000 0.448 556 H N 1.117 120.268 119.070 0.136 0.000 2.482 556 H HA 0.644 4.880 4.556 -0.533 0.000 0.344 556 H C 0.294 175.739 175.328 0.195 0.000 1.151 556 H CA 0.531 56.660 56.048 0.136 0.000 1.300 556 H CB 1.774 31.583 29.762 0.078 0.000 1.494 556 H HN 0.925 nan 8.280 nan 0.000 0.542 557 S N 1.960 117.866 115.700 0.343 0.000 2.541 557 S HA 0.449 4.600 4.470 -0.532 0.000 0.283 557 S C -0.324 174.384 174.600 0.180 0.000 1.196 557 S CA -0.874 57.528 58.200 0.336 0.000 1.062 557 S CB 1.438 64.887 63.200 0.415 0.000 1.009 557 S HN 0.350 nan 8.310 nan 0.000 0.502 558 L N 2.810 124.091 121.223 0.097 0.000 2.381 558 L HA 0.501 4.522 4.340 -0.532 0.000 0.274 558 L C -1.461 175.412 176.870 0.005 0.000 0.988 558 L CA -0.872 53.993 54.840 0.043 0.000 0.824 558 L CB 1.588 43.659 42.059 0.020 0.000 1.263 558 L HN 0.842 nan 8.230 nan 0.000 0.410 559 Y N 5.910 126.161 120.300 -0.082 0.000 2.454 559 Y HA 0.492 4.724 4.550 -0.531 0.000 0.345 559 Y C -0.837 175.026 175.900 -0.061 0.000 0.970 559 Y CA -0.729 57.318 58.100 -0.089 0.000 1.204 559 Y CB 0.495 38.920 38.460 -0.057 0.000 1.122 559 Y HN 0.494 nan 8.280 nan 0.000 0.514 560 L N 9.884 130.836 121.223 -0.451 0.000 2.385 560 L HA 0.192 4.213 4.340 -0.532 0.000 0.281 560 L C -1.654 174.846 176.870 -0.617 0.000 1.106 560 L CA -1.560 53.040 54.840 -0.400 0.000 0.856 560 L CB 0.750 42.658 42.059 -0.252 0.000 1.186 560 L HN 0.551 nan 8.230 nan 0.000 0.453 561 P HA -0.097 nan 4.420 nan 0.000 0.217 561 P C 1.158 178.343 177.300 -0.191 0.000 1.151 561 P CA 0.907 63.816 63.100 -0.318 0.000 0.828 561 P CB 0.443 32.102 31.700 -0.069 0.000 0.788 562 E N -0.275 119.836 120.200 -0.148 0.000 2.106 562 E HA -0.102 3.929 4.350 -0.532 0.000 0.192 562 E C 1.640 178.186 176.600 -0.090 0.000 0.984 562 E CA 1.652 57.996 56.400 -0.093 0.000 0.806 562 E CB -0.209 29.447 29.700 -0.073 0.000 0.750 562 E HN 0.269 nan 8.360 nan 0.000 0.458 563 S N -0.452 115.174 115.700 -0.124 0.000 2.540 563 S HA 0.093 4.244 4.470 -0.532 0.000 0.218 563 S C 0.113 174.656 174.600 -0.095 0.000 0.977 563 S CA -0.223 57.922 58.200 -0.092 0.000 0.918 563 S CB 0.142 63.291 63.200 -0.086 0.000 0.806 563 S HN 0.180 nan 8.310 nan 0.000 0.496 564 E N 1.457 121.558 120.200 -0.164 0.000 2.403 564 E HA -0.192 3.839 4.350 -0.532 0.000 0.241 564 E C -0.136 176.417 176.600 -0.077 0.000 1.201 564 E CA 0.800 57.134 56.400 -0.111 0.000 0.721 564 E CB -2.251 27.525 29.700 0.127 0.000 1.245 564 E HN 0.853 nan 8.360 nan 0.000 0.392 565 S N -1.298 114.281 115.700 -0.202 0.000 2.715 565 S HA 0.791 4.941 4.470 -0.532 0.000 0.307 565 S C 0.074 174.543 174.600 -0.218 0.000 1.119 565 S CA -1.188 56.935 58.200 -0.129 0.000 0.937 565 S CB 2.191 65.335 63.200 -0.093 0.000 1.150 565 S HN 0.084 nan 8.310 nan 0.000 0.521 566 M N 1.114 120.543 119.600 -0.284 0.000 2.654 566 M HA 0.700 4.861 4.480 -0.532 0.000 0.310 566 M C 0.250 176.250 176.300 -0.499 0.000 1.211 566 M CA -0.308 54.658 55.300 -0.557 0.000 0.947 566 M CB 1.472 33.279 32.600 -1.323 0.000 1.647 566 M HN 1.056 nan 8.290 nan 0.000 0.481 567 T N 0.099 114.396 114.554 -0.429 0.000 2.647 567 T HA 0.623 4.654 4.350 -0.532 0.000 0.302 567 T C -1.513 173.215 174.700 0.045 0.000 1.389 567 T CA -0.638 61.386 62.100 -0.126 0.000 1.037 567 T CB 1.719 70.543 68.868 -0.072 0.000 1.755 567 T HN 0.691 nan 8.240 nan 0.000 0.467 568 R N 0.235 120.788 120.500 0.088 0.000 2.808 568 R HA 0.713 4.734 4.340 -0.532 0.000 0.272 568 R C -1.032 175.324 176.300 0.094 0.000 0.995 568 R CA -0.921 55.261 56.100 0.137 0.000 0.917 568 R CB 2.200 32.566 30.300 0.109 0.000 1.217 568 R HN 0.477 nan 8.270 nan 0.000 0.471 569 R N 0.194 120.776 120.500 0.137 0.000 2.744 569 R HA 0.375 4.396 4.340 -0.532 0.000 0.279 569 R C -0.690 175.692 176.300 0.137 0.000 0.977 569 R CA -0.719 55.459 56.100 0.130 0.000 0.906 569 R CB 2.502 32.894 30.300 0.153 0.000 1.197 569 R HN 0.559 nan 8.270 nan 0.000 0.463 570 S N 0.966 116.721 115.700 0.092 0.000 2.558 570 S HA 0.039 4.189 4.470 -0.532 0.000 0.288 570 S C 0.186 174.835 174.600 0.081 0.000 1.318 570 S CA -0.430 57.804 58.200 0.057 0.000 1.056 570 S CB 0.709 63.935 63.200 0.043 0.000 0.853 570 S HN 0.232 nan 8.310 nan 0.000 0.505 571 V N 4.556 124.448 119.914 -0.037 0.000 2.461 571 V HA 0.149 3.950 4.120 -0.532 0.000 0.275 571 V C 0.779 176.906 176.094 0.055 0.000 1.047 571 V CA -0.795 61.473 62.300 -0.053 0.000 0.955 571 V CB 0.938 32.665 31.823 -0.159 0.000 0.988 571 V HN 0.851 nan 8.190 nan 0.000 0.471 572 N N 5.769 124.533 118.700 0.106 0.000 2.497 572 N HA 0.211 4.631 4.740 -0.532 0.000 0.268 572 N C -0.283 175.282 175.510 0.093 0.000 1.171 572 N CA 0.096 53.198 53.050 0.087 0.000 0.948 572 N CB 0.935 39.473 38.487 0.084 0.000 1.069 572 N HN 0.680 nan 8.380 nan 0.000 0.460 573 M N 2.633 122.282 119.600 0.082 0.000 3.114 573 M HA 0.194 4.355 4.480 -0.532 0.000 0.386 573 M C -0.900 175.450 176.300 0.083 0.000 1.417 573 M CA -0.073 55.286 55.300 0.098 0.000 0.785 573 M CB 0.554 33.209 32.600 0.093 0.000 1.413 573 M HN 0.418 nan 8.290 nan 0.000 0.498 574 E N 1.579 121.827 120.200 0.080 0.000 2.731 574 E HA 0.311 4.341 4.350 -0.532 0.000 0.248 574 E C -2.500 174.150 176.600 0.082 0.000 1.084 574 E CA -1.577 54.863 56.400 0.067 0.000 0.776 574 E CB 1.902 31.632 29.700 0.049 0.000 1.404 574 E HN 0.113 nan 8.360 nan 0.000 0.395 575 P HA 0.040 nan 4.420 nan 0.000 0.280 575 P C 0.529 177.891 177.300 0.105 0.000 1.278 575 P CA -0.255 62.923 63.100 0.131 0.000 0.787 575 P CB 0.944 32.743 31.700 0.165 0.000 1.163 576 K N -0.594 119.879 120.400 0.122 0.000 2.474 576 K HA 0.276 4.277 4.320 -0.532 0.000 0.204 576 K C 1.306 177.970 176.600 0.108 0.000 1.220 576 K CA 0.546 56.890 56.287 0.095 0.000 0.966 576 K CB 0.214 32.763 32.500 0.082 0.000 1.049 576 K HN 0.298 nan 8.250 nan 0.000 0.554 577 L N 0.824 122.147 121.223 0.167 0.000 2.817 577 L HA 0.288 4.309 4.340 -0.532 0.000 0.248 577 L C 0.587 177.570 176.870 0.188 0.000 1.133 577 L CA -0.207 54.754 54.840 0.201 0.000 0.935 577 L CB 0.330 42.573 42.059 0.307 0.000 1.266 577 L HN 0.020 nan 8.230 nan 0.000 0.535 578 R N -0.448 120.140 120.500 0.146 0.000 2.716 578 R HA 0.575 4.596 4.340 -0.532 0.000 0.271 578 R C -3.165 173.117 176.300 -0.030 0.000 1.028 578 R CA -1.467 54.654 56.100 0.035 0.000 0.883 578 R CB 0.859 31.160 30.300 0.002 0.000 1.250 578 R HN -0.337 nan 8.270 nan 0.000 0.465 579 P HA 0.200 nan 4.420 nan 0.000 0.274 579 P C -0.673 176.498 177.300 -0.214 0.000 1.231 579 P CA -0.408 62.614 63.100 -0.129 0.000 0.790 579 P CB 0.896 32.510 31.700 -0.144 0.000 0.951 580 A N 1.879 124.637 122.820 -0.103 0.000 2.466 580 A HA 0.259 4.260 4.320 -0.532 0.000 0.238 580 A C -0.375 177.146 177.584 -0.104 0.000 1.074 580 A CA 0.003 52.017 52.037 -0.039 0.000 0.774 580 A CB -0.673 18.363 19.000 0.061 0.000 1.015 580 A HN 0.407 nan 8.150 nan 0.000 0.498 581 F N 2.166 122.222 119.950 0.176 0.000 2.421 581 F HA 0.364 4.573 4.527 -0.530 0.000 0.358 581 F C -1.761 174.177 175.800 0.230 0.000 1.115 581 F CA -1.722 56.416 58.000 0.229 0.000 1.160 581 F CB 0.831 40.019 39.000 0.313 0.000 1.123 581 F HN 0.318 nan 8.300 nan 0.000 0.508 582 P HA 0.193 nan 4.420 nan 0.000 0.275 582 P C -2.638 174.659 177.300 -0.004 0.000 1.228 582 P CA -1.563 61.614 63.100 0.128 0.000 0.786 582 P CB 0.048 31.782 31.700 0.056 0.000 0.927 583 P HA 0.127 nan 4.420 nan 0.000 0.271 583 P C -0.269 176.652 177.300 -0.632 0.000 1.226 583 P CA 0.183 62.749 63.100 -0.891 0.000 0.765 583 P CB 0.328 31.765 31.700 -0.439 0.000 0.835 584 K N 2.390 122.319 120.400 -0.785 0.000 2.263 584 K HA 0.554 4.555 4.320 -0.532 0.000 0.249 584 K C -0.661 175.834 176.600 -0.176 0.000 1.076 584 K CA -1.151 54.969 56.287 -0.279 0.000 0.884 584 K CB 0.750 33.201 32.500 -0.081 0.000 1.394 584 K HN 0.048 nan 8.250 nan 0.000 0.476 585 I N 1.637 122.177 120.570 -0.050 0.000 2.648 585 I HA 0.067 3.918 4.170 -0.532 0.000 0.284 585 I C 0.465 176.606 176.117 0.041 0.000 1.153 585 I CA 0.120 61.422 61.300 0.003 0.000 1.426 585 I CB 0.524 38.531 38.000 0.012 0.000 1.381 585 I HN 0.479 nan 8.210 nan 0.000 0.571 586 R N 5.858 126.397 120.500 0.065 0.000 2.278 586 R HA 0.432 4.453 4.340 -0.532 0.000 0.322 586 R C -1.323 174.965 176.300 -0.021 0.000 1.058 586 R CA -0.287 55.836 56.100 0.037 0.000 0.991 586 R CB 0.386 30.760 30.300 0.123 0.000 1.140 586 R HN 0.797 nan 8.270 nan 0.000 0.518 587 T N 0.307 114.799 114.554 -0.102 0.000 2.909 587 T HA 0.430 4.460 4.350 -0.532 0.000 0.299 587 T C -0.826 173.780 174.700 -0.157 0.000 1.073 587 T CA -0.652 61.420 62.100 -0.047 0.000 0.999 587 T CB 1.288 70.176 68.868 0.034 0.000 1.098 587 T HN 0.311 nan 8.240 nan 0.000 0.477 588 Y N 0.000 120.335 120.300 0.059 0.000 2.660 588 Y HA 0.000 4.231 4.550 -0.532 0.000 0.201 588 Y CA 0.000 58.127 58.100 0.045 0.000 1.940 588 Y CB 0.000 38.481 38.460 0.034 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758