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 2wp9_1_E 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 32.627 32.600 0.045 0.000 1.302 2 K N 1.222 121.636 120.400 0.025 0.000 2.455 2 K HA 0.478 4.797 4.320 -0.000 0.000 0.206 2 K C -0.638 175.982 176.600 0.032 0.000 1.027 2 K CA -0.058 56.243 56.287 0.024 0.000 1.113 2 K CB 0.981 33.491 32.500 0.018 0.000 0.850 2 K HN 0.395 nan 8.250 nan 0.000 0.503 3 L N 1.082 122.331 121.223 0.043 0.000 2.410 3 L HA 0.446 4.785 4.340 -0.000 0.000 0.270 3 L C -2.697 174.206 176.870 0.055 0.000 0.983 3 L CA -2.330 52.545 54.840 0.057 0.000 0.822 3 L CB 1.490 43.593 42.059 0.073 0.000 1.285 3 L HN -0.131 nan 8.230 nan 0.000 0.409 4 P HA 0.148 nan 4.420 nan 0.000 0.266 4 P C -1.257 176.020 177.300 -0.037 0.000 1.193 4 P CA -0.114 62.986 63.100 0.000 0.000 0.770 4 P CB 0.505 32.205 31.700 -0.001 0.000 0.836 5 V N 4.401 124.266 119.914 -0.083 0.000 2.409 5 V HA 0.387 4.507 4.120 -0.000 0.000 0.291 5 V C 0.360 176.285 176.094 -0.282 0.000 1.020 5 V CA -0.521 61.677 62.300 -0.170 0.000 0.848 5 V CB 1.368 33.134 31.823 -0.094 0.000 0.990 5 V HN 0.425 nan 8.190 nan 0.000 0.430 6 R N 3.154 123.391 120.500 -0.438 0.000 2.310 6 R HA 0.482 4.822 4.340 -0.000 0.000 0.324 6 R C -0.469 175.631 176.300 -0.333 0.000 0.955 6 R CA -0.473 55.383 56.100 -0.407 0.000 0.830 6 R CB 2.156 32.146 30.300 -0.517 0.000 1.154 6 R HN 0.785 nan 8.270 nan 0.000 0.458 7 E N 3.706 123.636 120.200 -0.450 0.000 2.175 7 E HA 0.414 4.763 4.350 -0.000 0.000 0.278 7 E C -1.243 175.009 176.600 -0.580 0.000 0.969 7 E CA -0.436 55.752 56.400 -0.354 0.000 0.796 7 E CB 0.819 30.357 29.700 -0.270 0.000 1.104 7 E HN 0.302 nan 8.360 nan 0.000 0.395 8 F N 1.651 121.559 119.950 -0.069 0.000 2.645 8 F HA 0.208 4.735 4.527 0.000 0.000 0.310 8 F C 0.899 176.674 175.800 -0.042 0.000 1.102 8 F CA -0.920 57.058 58.000 -0.037 0.000 0.952 8 F CB 1.556 40.548 39.000 -0.014 0.000 1.326 8 F HN 0.405 nan 8.300 nan 0.000 0.456 9 D N 0.953 121.443 120.400 0.149 0.000 2.092 9 D HA -0.022 4.617 4.640 -0.000 0.000 0.193 9 D C 0.517 176.843 176.300 0.044 0.000 0.994 9 D CA 1.568 55.607 54.000 0.066 0.000 0.828 9 D CB -0.012 40.809 40.800 0.034 0.000 0.963 9 D HN 0.433 nan 8.370 nan 0.000 0.450 10 A N -0.027 122.817 122.820 0.039 0.000 2.401 10 A HA 0.575 4.895 4.320 -0.000 0.000 0.310 10 A C -0.925 176.612 177.584 -0.078 0.000 1.075 10 A CA -0.529 51.479 52.037 -0.049 0.000 0.746 10 A CB 2.303 21.231 19.000 -0.121 0.000 1.277 10 A HN -0.065 nan 8.150 nan 0.000 0.425 11 V N 2.225 122.070 119.914 -0.115 0.000 2.407 11 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 11 V C -0.570 175.408 176.094 -0.193 0.000 1.018 11 V CA -0.482 61.689 62.300 -0.215 0.000 0.842 11 V CB 1.585 33.299 31.823 -0.181 0.000 0.996 11 V HN 0.653 nan 8.190 nan 0.000 0.426 12 V N 6.710 126.491 119.914 -0.220 0.000 2.333 12 V HA 0.418 4.538 4.120 -0.000 0.000 0.274 12 V C 0.155 176.140 176.094 -0.181 0.000 1.028 12 V CA -0.288 61.914 62.300 -0.163 0.000 0.851 12 V CB 1.395 33.138 31.823 -0.133 0.000 1.000 12 V HN 0.675 nan 8.190 nan 0.000 0.456 13 I N 5.330 125.811 120.570 -0.148 0.000 2.269 13 I HA 0.637 4.807 4.170 -0.000 0.000 0.293 13 I C 0.814 176.864 176.117 -0.112 0.000 1.106 13 I CA 0.165 61.371 61.300 -0.157 0.000 1.248 13 I CB 0.487 38.401 38.000 -0.144 0.000 1.444 13 I HN 0.844 nan 8.210 nan 0.000 0.497 14 G N 4.389 113.125 108.800 -0.107 0.000 2.801 14 G HA2 0.225 4.185 3.960 -0.000 0.000 0.648 14 G HA3 0.225 4.185 3.960 -0.000 0.000 0.648 14 G C -0.660 174.201 174.900 -0.065 0.000 1.415 14 G CA -0.357 44.699 45.100 -0.073 0.000 0.887 14 G HN 0.725 nan 8.290 nan 0.000 0.627 15 A N 1.299 124.082 122.820 -0.061 0.000 2.985 15 A HA 0.808 5.128 4.320 -0.000 0.000 0.303 15 A C 1.191 178.736 177.584 -0.065 0.000 1.048 15 A CA 0.981 52.977 52.037 -0.068 0.000 1.016 15 A CB -0.135 18.811 19.000 -0.091 0.000 1.118 15 A HN 2.052 nan 8.150 nan 0.000 0.529 16 G N -0.508 108.270 108.800 -0.036 0.000 2.494 16 G HA2 0.408 4.368 3.960 -0.000 0.000 0.270 16 G HA3 0.408 4.368 3.960 -0.000 0.000 0.270 16 G C 1.175 176.064 174.900 -0.018 0.000 1.423 16 G CA 0.146 45.233 45.100 -0.023 0.000 1.055 16 G HN 0.609 nan 8.290 nan 0.000 0.536 17 G N -0.101 108.697 108.800 -0.003 0.000 2.491 17 G HA2 -0.036 3.923 3.960 -0.000 0.000 0.218 17 G HA3 -0.036 3.923 3.960 -0.000 0.000 0.218 17 G C 2.016 176.928 174.900 0.020 0.000 1.180 17 G CA 2.085 47.188 45.100 0.006 0.000 0.774 17 G HN 0.948 nan 8.290 nan 0.000 0.562 18 A N 0.699 123.543 122.820 0.039 0.000 1.877 18 A HA 0.147 4.466 4.320 -0.000 0.000 0.216 18 A C 2.726 180.327 177.584 0.027 0.000 1.186 18 A CA 2.258 54.328 52.037 0.055 0.000 0.620 18 A CB -1.091 17.953 19.000 0.073 0.000 0.822 18 A HN 0.592 nan 8.150 nan 0.000 0.443 19 G N -1.159 107.643 108.800 0.004 0.000 2.394 19 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.215 19 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.215 19 G C 1.642 176.523 174.900 -0.030 0.000 1.165 19 G CA 0.967 46.055 45.100 -0.020 0.000 0.784 19 G HN 0.423 nan 8.290 nan 0.000 0.535 20 M N -0.273 119.311 119.600 -0.027 0.000 2.175 20 M HA 0.024 4.504 4.480 -0.000 0.000 0.264 20 M C 2.605 178.888 176.300 -0.028 0.000 1.063 20 M CA 1.080 56.361 55.300 -0.031 0.000 1.119 20 M CB -0.175 32.410 32.600 -0.025 0.000 1.377 20 M HN 0.141 nan 8.290 nan 0.000 0.415 21 R N 1.043 121.535 120.500 -0.014 0.000 2.073 21 R HA -0.044 4.296 4.340 -0.000 0.000 0.234 21 R C 2.073 178.365 176.300 -0.013 0.000 1.134 21 R CA 2.060 58.154 56.100 -0.010 0.000 0.952 21 R CB -0.827 29.478 30.300 0.008 0.000 0.850 21 R HN 0.329 nan 8.270 nan 0.000 0.433 22 A N 0.267 123.082 122.820 -0.008 0.000 1.858 22 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 22 A C 2.396 179.955 177.584 -0.042 0.000 1.190 22 A CA 1.985 54.011 52.037 -0.018 0.000 0.617 22 A CB -1.253 17.737 19.000 -0.016 0.000 0.827 22 A HN 0.481 nan 8.150 nan 0.000 0.443 23 A N -0.673 122.116 122.820 -0.051 0.000 1.883 23 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 23 A C 2.115 179.667 177.584 -0.053 0.000 1.186 23 A CA 1.868 53.867 52.037 -0.063 0.000 0.624 23 A CB -0.743 18.215 19.000 -0.070 0.000 0.822 23 A HN 0.512 nan 8.150 nan 0.000 0.444 24 L N -0.555 120.639 121.223 -0.049 0.000 1.971 24 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 24 L C 2.628 179.473 176.870 -0.041 0.000 1.072 24 L CA 2.728 57.540 54.840 -0.047 0.000 0.758 24 L CB -0.955 41.077 42.059 -0.046 0.000 0.889 24 L HN 0.547 nan 8.230 nan 0.000 0.433 25 Q N -0.451 119.326 119.800 -0.037 0.000 2.050 25 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 25 Q C 2.167 178.143 176.000 -0.041 0.000 0.980 25 Q CA 2.029 57.810 55.803 -0.036 0.000 0.840 25 Q CB -0.398 28.323 28.738 -0.030 0.000 0.898 25 Q HN 0.614 nan 8.270 nan 0.000 0.424 26 I N -0.360 120.181 120.570 -0.048 0.000 2.208 26 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 26 I C 2.456 178.551 176.117 -0.038 0.000 1.097 26 I CA 1.433 62.700 61.300 -0.054 0.000 1.363 26 I CB -0.506 37.450 38.000 -0.074 0.000 1.051 26 I HN 0.231 nan 8.210 nan 0.000 0.413 27 S N 0.169 115.850 115.700 -0.032 0.000 2.348 27 S HA -0.251 4.219 4.470 -0.000 0.000 0.221 27 S C 2.020 176.611 174.600 -0.015 0.000 1.033 27 S CA 1.577 59.767 58.200 -0.017 0.000 1.010 27 S CB -0.172 63.017 63.200 -0.019 0.000 0.891 27 S HN 0.426 nan 8.310 nan 0.000 0.442 28 Q N 0.381 120.168 119.800 -0.023 0.000 2.181 28 Q HA 0.009 4.349 4.340 -0.000 0.000 0.205 28 Q C 1.964 177.951 176.000 -0.022 0.000 0.980 28 Q CA 1.486 57.276 55.803 -0.021 0.000 0.862 28 Q CB -0.144 28.578 28.738 -0.026 0.000 0.905 28 Q HN 0.420 nan 8.270 nan 0.000 0.429 29 S N -0.985 114.698 115.700 -0.027 0.000 2.660 29 S HA 0.101 4.571 4.470 -0.000 0.000 0.223 29 S C 1.091 175.678 174.600 -0.021 0.000 0.963 29 S CA 0.600 58.782 58.200 -0.029 0.000 0.932 29 S CB 0.227 63.403 63.200 -0.040 0.000 0.775 29 S HN 0.672 nan 8.310 nan 0.000 0.531 30 G N 0.714 109.506 108.800 -0.014 0.000 2.175 30 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 30 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 30 G C -0.134 174.766 174.900 -0.001 0.000 0.982 30 G CA -0.272 44.825 45.100 -0.006 0.000 0.641 30 G HN 0.501 nan 8.290 nan 0.000 0.527 31 Q N 0.719 120.517 119.800 -0.003 0.000 2.193 31 Q HA 0.626 4.966 4.340 -0.000 0.000 0.246 31 Q C 0.707 176.725 176.000 0.030 0.000 0.959 31 Q CA 0.078 55.885 55.803 0.007 0.000 0.904 31 Q CB 1.227 29.961 28.738 -0.007 0.000 1.238 31 Q HN 0.431 nan 8.270 nan 0.000 0.469 32 T N -2.367 112.225 114.554 0.062 0.000 2.910 32 T HA 0.502 4.852 4.350 -0.000 0.000 0.293 32 T C -0.395 174.405 174.700 0.166 0.000 1.015 32 T CA -0.746 61.435 62.100 0.135 0.000 1.094 32 T CB 0.879 69.846 68.868 0.164 0.000 0.968 32 T HN 0.649 nan 8.240 nan 0.000 0.521 33 C N 2.554 121.955 119.300 0.169 0.000 2.716 33 C HA 0.748 5.208 4.460 -0.000 0.000 0.366 33 C C -0.243 174.627 174.990 -0.201 0.000 1.073 33 C CA -0.400 58.610 59.018 -0.013 0.000 1.260 33 C CB -0.104 27.611 27.740 -0.043 0.000 1.755 33 C HN 1.316 nan 8.230 nan 0.000 0.475 34 A N 5.119 127.580 122.820 -0.598 0.000 2.276 34 A HA 0.719 5.039 4.320 -0.000 0.000 0.316 34 A C -0.940 176.418 177.584 -0.377 0.000 1.229 34 A CA -0.408 51.203 52.037 -0.709 0.000 0.851 34 A CB 0.787 18.899 19.000 -1.480 0.000 1.165 34 A HN 1.177 nan 8.150 nan 0.000 0.513 35 L N 3.837 124.948 121.223 -0.187 0.000 2.276 35 L HA 0.580 4.920 4.340 -0.000 0.000 0.286 35 L C -1.180 175.612 176.870 -0.129 0.000 1.024 35 L CA -0.361 54.386 54.840 -0.157 0.000 0.826 35 L CB 0.732 42.730 42.059 -0.102 0.000 1.211 35 L HN 0.559 nan 8.230 nan 0.000 0.422 36 L N 3.904 124.994 121.223 -0.221 0.000 2.334 36 L HA 0.715 5.055 4.340 -0.000 0.000 0.277 36 L C 0.168 176.985 176.870 -0.089 0.000 1.075 36 L CA 0.271 54.991 54.840 -0.200 0.000 0.804 36 L CB 1.671 43.500 42.059 -0.383 0.000 1.174 36 L HN 0.703 nan 8.230 nan 0.000 0.438 37 S N 0.724 116.431 115.700 0.012 0.000 2.543 37 S HA 0.366 4.836 4.470 -0.000 0.000 0.271 37 S C 0.293 174.950 174.600 0.095 0.000 1.148 37 S CA -0.724 57.487 58.200 0.018 0.000 0.914 37 S CB 1.052 64.243 63.200 -0.015 0.000 1.096 37 S HN 0.719 nan 8.310 nan 0.000 0.471 38 K N 1.908 122.354 120.400 0.076 0.000 2.459 38 K HA 0.207 4.527 4.320 -0.000 0.000 0.193 38 K C 0.569 177.249 176.600 0.134 0.000 1.030 38 K CA 0.485 56.852 56.287 0.133 0.000 1.026 38 K CB -0.211 32.397 32.500 0.180 0.000 0.809 38 K HN 0.438 nan 8.250 nan 0.000 0.504 39 V N -2.277 117.708 119.914 0.119 0.000 3.102 39 V HA 0.454 4.574 4.120 -0.000 0.000 0.312 39 V C -0.304 175.879 176.094 0.149 0.000 1.135 39 V CA -1.531 60.859 62.300 0.151 0.000 1.022 39 V CB 1.039 32.942 31.823 0.133 0.000 1.056 39 V HN 0.097 nan 8.190 nan 0.000 0.436 40 F N 3.860 123.835 119.950 0.042 0.000 2.623 40 F HA 0.264 4.791 4.527 -0.000 0.000 0.386 40 F C -1.451 174.286 175.800 -0.106 0.000 1.068 40 F CA -0.829 57.156 58.000 -0.025 0.000 1.265 40 F CB 0.818 39.790 39.000 -0.047 0.000 1.026 40 F HN 0.458 nan 8.300 nan 0.000 0.568 41 P HA -0.213 nan 4.420 nan 0.000 0.216 41 P C 1.397 178.420 177.300 -0.462 0.000 1.150 41 P CA 2.589 65.357 63.100 -0.553 0.000 0.843 41 P CB -0.319 31.020 31.700 -0.601 0.000 0.787 42 T N -3.619 110.577 114.554 -0.597 0.000 3.160 42 T HA 0.031 4.381 4.350 -0.000 0.000 0.257 42 T C 1.259 175.884 174.700 -0.125 0.000 1.147 42 T CA 0.261 62.126 62.100 -0.392 0.000 1.064 42 T CB -0.596 67.969 68.868 -0.505 0.000 0.949 42 T HN 0.104 nan 8.240 nan 0.000 0.526 43 R N 1.104 121.601 120.500 -0.006 0.000 2.393 43 R HA 0.306 4.646 4.340 -0.000 0.000 0.244 43 R C 0.283 176.615 176.300 0.053 0.000 0.920 43 R CA -0.128 56.013 56.100 0.068 0.000 1.076 43 R CB 0.125 30.504 30.300 0.132 0.000 1.119 43 R HN 0.324 nan 8.270 nan 0.000 0.524 44 S N 0.871 116.572 115.700 0.003 0.000 2.584 44 S HA -0.031 4.439 4.470 -0.000 0.000 0.270 44 S C 1.061 175.708 174.600 0.078 0.000 1.346 44 S CA -0.332 57.889 58.200 0.034 0.000 1.018 44 S CB 0.833 64.028 63.200 -0.009 0.000 0.899 44 S HN 0.364 nan 8.310 nan 0.000 0.542 45 H N 1.937 121.012 119.070 0.008 0.000 2.422 45 H HA -0.094 4.461 4.556 -0.000 0.000 0.298 45 H C 1.835 177.174 175.328 0.018 0.000 1.098 45 H CA 2.324 58.380 56.048 0.014 0.000 1.315 45 H CB -0.675 29.090 29.762 0.006 0.000 1.382 45 H HN 0.631 nan 8.280 nan 0.000 0.523 46 T N -0.567 113.976 114.554 -0.018 0.000 2.802 46 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 46 T C 2.151 176.796 174.700 -0.091 0.000 1.062 46 T CA 1.215 63.276 62.100 -0.066 0.000 1.133 46 T CB -0.706 68.148 68.868 -0.024 0.000 0.852 46 T HN 0.240 nan 8.240 nan 0.000 0.485 47 V N 0.930 120.804 119.914 -0.067 0.000 2.720 47 V HA -0.127 3.993 4.120 -0.000 0.000 0.256 47 V C 2.140 178.240 176.094 0.010 0.000 1.082 47 V CA 1.742 64.040 62.300 -0.003 0.000 1.101 47 V CB -0.365 31.480 31.823 0.036 0.000 0.693 47 V HN 0.439 nan 8.190 nan 0.000 0.479 48 S N -0.250 115.375 115.700 -0.126 0.000 2.535 48 S HA 0.388 4.858 4.470 -0.000 0.000 0.214 48 S C 0.940 175.467 174.600 -0.120 0.000 0.980 48 S CA 0.346 58.467 58.200 -0.132 0.000 0.907 48 S CB 0.068 63.123 63.200 -0.241 0.000 0.790 48 S HN 0.667 nan 8.310 nan 0.000 0.510 49 A N 1.536 124.280 122.820 -0.127 0.000 2.546 49 A HA 0.164 4.484 4.320 -0.000 0.000 0.243 49 A C 0.903 178.500 177.584 0.021 0.000 1.063 49 A CA 0.168 52.180 52.037 -0.043 0.000 0.757 49 A CB 0.252 19.235 19.000 -0.028 0.000 0.991 49 A HN 0.479 nan 8.150 nan 0.000 0.503 50 Q N 2.442 122.278 119.800 0.061 0.000 2.530 50 Q HA 0.093 4.433 4.340 -0.000 0.000 0.198 50 Q C 2.236 178.305 176.000 0.114 0.000 0.956 50 Q CA 0.626 56.477 55.803 0.081 0.000 0.870 50 Q CB -0.102 28.683 28.738 0.078 0.000 1.050 50 Q HN 0.885 nan 8.270 nan 0.000 0.604 51 G N 0.528 109.442 108.800 0.191 0.000 2.440 51 G HA2 0.145 4.105 3.960 -0.000 0.000 0.218 51 G HA3 0.145 4.105 3.960 -0.000 0.000 0.218 51 G C 0.630 175.517 174.900 -0.020 0.000 1.154 51 G CA 0.921 46.165 45.100 0.241 0.000 0.767 51 G HN 0.567 nan 8.290 nan 0.000 0.552 52 G N -1.294 107.445 108.800 -0.101 0.000 2.315 52 G HA2 0.148 4.108 3.960 -0.000 0.000 0.296 52 G HA3 0.148 4.108 3.960 -0.000 0.000 0.296 52 G C -1.180 173.614 174.900 -0.176 0.000 1.289 52 G CA -0.540 44.492 45.100 -0.114 0.000 0.996 52 G HN 0.488 nan 8.290 nan 0.000 0.487 53 I N 1.173 121.681 120.570 -0.104 0.000 2.362 53 I HA 0.377 4.547 4.170 -0.000 0.000 0.289 53 I C 0.248 176.271 176.117 -0.156 0.000 0.994 53 I CA -0.620 60.632 61.300 -0.080 0.000 1.158 53 I CB 1.883 39.905 38.000 0.037 0.000 1.315 53 I HN 0.378 nan 8.210 nan 0.000 0.451 54 T N 6.131 120.588 114.554 -0.162 0.000 2.761 54 T HA 0.410 4.759 4.350 -0.000 0.000 0.296 54 T C -0.362 174.225 174.700 -0.189 0.000 0.934 54 T CA -0.179 61.796 62.100 -0.209 0.000 1.091 54 T CB 0.947 69.720 68.868 -0.158 0.000 0.896 54 T HN 0.400 nan 8.240 nan 0.000 0.515 55 V N 2.571 122.321 119.914 -0.273 0.000 3.023 55 V HA 0.647 4.766 4.120 -0.000 0.000 0.294 55 V C -0.918 175.057 176.094 -0.198 0.000 1.324 55 V CA -0.946 61.249 62.300 -0.175 0.000 0.979 55 V CB 1.878 33.649 31.823 -0.087 0.000 1.093 55 V HN 0.919 nan 8.190 nan 0.000 0.434 56 A N 6.389 129.152 122.820 -0.094 0.000 3.037 56 A HA 0.414 4.734 4.320 -0.000 0.000 0.272 56 A C 0.898 178.421 177.584 -0.101 0.000 1.723 56 A CA -0.052 51.937 52.037 -0.080 0.000 1.413 56 A CB -0.607 18.417 19.000 0.039 0.000 1.112 56 A HN 0.951 nan 8.150 nan 0.000 0.606 57 L N 0.942 122.072 121.223 -0.156 0.000 2.156 57 L HA 0.064 4.404 4.340 -0.000 0.000 0.208 57 L C 1.901 178.678 176.870 -0.155 0.000 1.095 57 L CA 0.898 55.643 54.840 -0.158 0.000 0.770 57 L CB -0.348 41.591 42.059 -0.200 0.000 0.914 57 L HN 0.804 nan 8.230 nan 0.000 0.439 58 G N 0.289 108.971 108.800 -0.198 0.000 2.198 58 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 58 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 58 G C 0.519 175.311 174.900 -0.181 0.000 1.042 58 G CA 0.551 45.529 45.100 -0.205 0.000 0.791 58 G HN 0.323 nan 8.290 nan 0.000 0.502 59 N N -0.175 118.405 118.700 -0.200 0.000 2.220 59 N HA 0.007 4.747 4.740 -0.000 0.000 0.182 59 N C 2.282 177.721 175.510 -0.119 0.000 1.023 59 N CA 1.738 54.703 53.050 -0.141 0.000 0.856 59 N CB -0.398 38.005 38.487 -0.141 0.000 0.997 59 N HN 0.350 nan 8.380 nan 0.000 0.429 60 T N -0.002 114.442 114.554 -0.183 0.000 3.023 60 T HA -0.007 4.343 4.350 -0.000 0.000 0.266 60 T C -0.179 174.520 174.700 -0.002 0.000 1.093 60 T CA 0.884 62.928 62.100 -0.092 0.000 1.129 60 T CB -0.129 68.682 68.868 -0.096 0.000 0.899 60 T HN 0.592 nan 8.240 nan 0.000 0.491 61 H N -1.687 117.384 119.070 0.002 0.000 2.987 61 H HA 0.459 5.015 4.556 -0.000 0.000 0.316 61 H C -1.325 174.020 175.328 0.028 0.000 1.380 61 H CA -1.169 54.895 56.048 0.026 0.000 1.160 61 H CB 0.326 30.116 29.762 0.046 0.000 1.865 61 H HN -0.228 nan 8.280 nan 0.000 0.521 62 E N 1.104 121.426 120.200 0.203 0.000 2.608 62 E HA 0.001 4.351 4.350 -0.000 0.000 0.259 62 E C -0.571 176.146 176.600 0.195 0.000 0.951 62 E CA 1.034 57.509 56.400 0.125 0.000 0.945 62 E CB 0.593 30.375 29.700 0.137 0.000 0.916 62 E HN 0.548 nan 8.360 nan 0.000 0.477 63 D N 1.331 121.688 120.400 -0.071 0.000 2.758 63 D HA 0.396 5.036 4.640 -0.000 0.000 0.279 63 D C -1.095 174.843 176.300 -0.603 0.000 1.111 63 D CA -0.650 53.246 54.000 -0.174 0.000 1.109 63 D CB 1.352 42.090 40.800 -0.104 0.000 1.428 63 D HN 0.269 nan 8.370 nan 0.000 0.586 64 N N 0.704 118.981 118.700 -0.706 0.000 2.554 64 N HA 0.038 4.778 4.740 -0.000 0.000 0.271 64 N C 0.710 175.977 175.510 -0.405 0.000 1.081 64 N CA -0.595 51.951 53.050 -0.839 0.000 0.994 64 N CB 0.666 38.053 38.487 -1.835 0.000 1.641 64 N HN 0.631 nan 8.380 nan 0.000 0.511 65 W N 3.497 124.691 121.300 -0.176 0.000 2.364 65 W HA -0.023 4.636 4.660 -0.000 0.000 0.281 65 W C 0.525 177.103 176.519 0.098 0.000 1.219 65 W CA 0.727 58.079 57.345 0.011 0.000 1.220 65 W CB -0.339 29.122 29.460 0.002 0.000 1.127 65 W HN 0.570 nan 8.180 nan 0.000 0.556 66 E N 0.048 119.762 120.200 -0.809 0.000 2.204 66 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 66 E C 1.969 178.655 176.600 0.143 0.000 0.989 66 E CA 1.561 57.683 56.400 -0.462 0.000 0.824 66 E CB -0.489 28.914 29.700 -0.494 0.000 0.756 66 E HN 0.204 nan 8.360 nan 0.000 0.477 67 W N 0.457 121.626 121.300 -0.219 0.000 2.358 67 W HA -0.126 4.534 4.660 -0.000 0.000 0.303 67 W C 2.101 178.674 176.519 0.089 0.000 1.208 67 W CA 0.889 58.088 57.345 -0.243 0.000 1.274 67 W CB -1.365 27.911 29.460 -0.307 0.000 1.138 67 W HN 0.331 nan 8.180 nan 0.000 0.515 68 H N -0.561 118.660 119.070 0.253 0.000 2.387 68 H HA -0.171 4.385 4.556 -0.000 0.000 0.299 68 H C 2.329 177.793 175.328 0.227 0.000 1.090 68 H CA 1.629 57.810 56.048 0.221 0.000 1.332 68 H CB -0.093 29.788 29.762 0.200 0.000 1.386 68 H HN 0.013 nan 8.280 nan 0.000 0.516 69 M N 0.056 119.812 119.600 0.260 0.000 2.086 69 M HA -0.246 4.233 4.480 -0.000 0.000 0.261 69 M C 2.224 178.597 176.300 0.121 0.000 1.067 69 M CA 1.864 57.302 55.300 0.230 0.000 1.116 69 M CB -0.364 32.512 32.600 0.460 0.000 1.348 69 M HN 0.373 nan 8.290 nan 0.000 0.407 70 Y N 1.380 121.625 120.300 -0.092 0.000 2.081 70 Y HA -0.344 4.206 4.550 -0.000 0.000 0.280 70 Y C 1.915 177.690 175.900 -0.209 0.000 1.163 70 Y CA 2.387 60.174 58.100 -0.521 0.000 1.135 70 Y CB -0.577 37.691 38.460 -0.320 0.000 0.970 70 Y HN 0.350 nan 8.280 nan 0.000 0.498 71 D N -0.766 119.681 120.400 0.078 0.000 2.123 71 D HA -0.164 4.476 4.640 -0.000 0.000 0.196 71 D C 2.094 178.379 176.300 -0.025 0.000 0.992 71 D CA 2.042 56.077 54.000 0.059 0.000 0.833 71 D CB -0.349 40.592 40.800 0.235 0.000 0.954 71 D HN 0.429 nan 8.370 nan 0.000 0.455 72 T N 0.420 114.983 114.554 0.015 0.000 2.770 72 T HA -0.061 4.289 4.350 -0.000 0.000 0.263 72 T C 2.300 176.947 174.700 -0.087 0.000 1.039 72 T CA 0.580 62.684 62.100 0.008 0.000 1.142 72 T CB -0.259 68.616 68.868 0.013 0.000 0.868 72 T HN -0.046 nan 8.240 nan 0.000 0.435 73 V N 1.814 121.642 119.914 -0.143 0.000 2.295 73 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 73 V C 2.512 178.290 176.094 -0.526 0.000 1.049 73 V CA 1.869 64.049 62.300 -0.200 0.000 1.024 73 V CB -0.562 31.232 31.823 -0.048 0.000 0.648 73 V HN 0.448 nan 8.190 nan 0.000 0.447 74 K N 0.399 120.406 120.400 -0.655 0.000 2.063 74 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 74 K C 2.121 178.445 176.600 -0.459 0.000 1.048 74 K CA 1.785 57.605 56.287 -0.778 0.000 0.928 74 K CB -0.676 31.398 32.500 -0.709 0.000 0.713 74 K HN 0.477 nan 8.250 nan 0.000 0.442 75 G N 0.102 108.776 108.800 -0.209 0.000 2.448 75 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 75 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 75 G C 1.385 176.260 174.900 -0.042 0.000 1.127 75 G CA 0.999 46.093 45.100 -0.010 0.000 0.766 75 G HN 0.502 nan 8.290 nan 0.000 0.552 76 S N -0.306 115.321 115.700 -0.121 0.000 2.603 76 S HA 0.083 4.553 4.470 -0.000 0.000 0.220 76 S C 0.933 175.476 174.600 -0.094 0.000 0.967 76 S CA 0.799 58.967 58.200 -0.055 0.000 0.920 76 S CB 0.041 63.223 63.200 -0.029 0.000 0.773 76 S HN 0.241 nan 8.310 nan 0.000 0.529 77 D N 0.555 120.821 120.400 -0.224 0.000 2.751 77 D HA -0.259 4.381 4.640 -0.000 0.000 0.233 77 D C -0.497 175.797 176.300 -0.010 0.000 1.149 77 D CA 1.052 54.967 54.000 -0.142 0.000 0.682 77 D CB -1.954 38.871 40.800 0.043 0.000 1.068 77 D HN 0.642 nan 8.370 nan 0.000 0.429 78 Y N -3.834 116.479 120.300 0.022 0.000 4.907 78 Y HA -0.349 4.201 4.550 -0.000 0.000 0.246 78 Y C 1.628 177.532 175.900 0.006 0.000 0.968 78 Y CA 1.203 59.317 58.100 0.022 0.000 1.961 78 Y CB -2.415 36.060 38.460 0.024 0.000 1.487 78 Y HN 0.492 nan 8.280 nan 0.000 0.575 79 I N -1.899 118.708 120.570 0.060 0.000 3.941 79 I HA 0.550 4.720 4.170 -0.000 0.000 0.335 79 I C 1.250 177.356 176.117 -0.018 0.000 1.402 79 I CA 0.123 61.394 61.300 -0.047 0.000 1.112 79 I CB 0.142 38.071 38.000 -0.118 0.000 1.043 79 I HN 0.146 nan 8.210 nan 0.000 0.395 80 G N 1.438 110.266 108.800 0.047 0.000 2.406 80 G HA2 0.137 4.097 3.960 -0.000 0.000 0.251 80 G HA3 0.137 4.097 3.960 -0.000 0.000 0.251 80 G C -0.586 174.383 174.900 0.116 0.000 1.271 80 G CA -0.338 44.814 45.100 0.088 0.000 0.859 80 G HN 0.267 nan 8.290 nan 0.000 0.540 81 D N 1.980 122.466 120.400 0.143 0.000 2.371 81 D HA 0.035 4.674 4.640 -0.000 0.000 0.256 81 D C 1.280 177.654 176.300 0.123 0.000 1.193 81 D CA 0.219 54.302 54.000 0.139 0.000 0.881 81 D CB 1.793 42.666 40.800 0.121 0.000 1.143 81 D HN 0.495 nan 8.370 nan 0.000 0.473 82 Q N 1.401 121.286 119.800 0.140 0.000 2.172 82 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 82 Q C 1.456 177.558 176.000 0.170 0.000 0.964 82 Q CA 0.942 56.849 55.803 0.173 0.000 0.855 82 Q CB 0.195 29.049 28.738 0.194 0.000 0.918 82 Q HN 0.539 nan 8.270 nan 0.000 0.444 83 D N 0.579 121.059 120.400 0.133 0.000 2.144 83 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 83 D C 1.660 178.053 176.300 0.155 0.000 0.978 83 D CA 1.415 55.492 54.000 0.128 0.000 0.833 83 D CB -0.234 40.616 40.800 0.082 0.000 0.961 83 D HN 0.161 nan 8.370 nan 0.000 0.470 84 A N 0.818 123.718 122.820 0.134 0.000 1.897 84 A HA 0.035 4.355 4.320 -0.000 0.000 0.215 84 A C 2.553 180.299 177.584 0.270 0.000 1.181 84 A CA 0.933 53.080 52.037 0.183 0.000 0.620 84 A CB -0.754 18.282 19.000 0.060 0.000 0.821 84 A HN 0.251 nan 8.150 nan 0.000 0.443 85 I N -0.240 120.444 120.570 0.190 0.000 2.208 85 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 85 I C 2.536 178.774 176.117 0.202 0.000 1.097 85 I CA 1.842 63.245 61.300 0.172 0.000 1.363 85 I CB -0.308 37.774 38.000 0.137 0.000 1.051 85 I HN 0.577 nan 8.210 nan 0.000 0.413 86 E N 0.750 121.099 120.200 0.249 0.000 2.058 86 E HA -0.318 4.032 4.350 -0.000 0.000 0.194 86 E C 2.312 178.967 176.600 0.091 0.000 0.997 86 E CA 1.655 58.219 56.400 0.273 0.000 0.801 86 E CB -0.305 29.566 29.700 0.285 0.000 0.746 86 E HN 0.560 nan 8.360 nan 0.000 0.450 87 Y N 0.588 120.893 120.300 0.008 0.000 2.242 87 Y HA -0.183 4.367 4.550 -0.000 0.000 0.291 87 Y C 2.347 178.162 175.900 -0.141 0.000 1.137 87 Y CA 2.062 60.117 58.100 -0.074 0.000 1.181 87 Y CB -0.120 38.345 38.460 0.008 0.000 0.989 87 Y HN 0.096 nan 8.280 nan 0.000 0.527 88 M N -0.954 118.696 119.600 0.083 0.000 2.099 88 M HA -0.221 4.259 4.480 -0.000 0.000 0.262 88 M C 2.054 178.276 176.300 -0.130 0.000 1.067 88 M CA 2.235 57.488 55.300 -0.079 0.000 1.124 88 M CB -0.533 32.135 32.600 0.114 0.000 1.353 88 M HN 0.440 nan 8.290 nan 0.000 0.410 89 C N 0.450 119.709 119.300 -0.068 0.000 2.440 89 C HA -0.095 4.365 4.460 -0.000 0.000 0.278 89 C C 2.637 177.595 174.990 -0.055 0.000 1.295 89 C CA 1.239 60.263 59.018 0.009 0.000 1.738 89 C CB -1.055 26.737 27.740 0.087 0.000 1.987 89 C HN 0.599 nan 8.230 nan 0.000 0.492 90 K N 1.223 121.387 120.400 -0.393 0.000 2.076 90 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 90 K C 1.786 178.043 176.600 -0.572 0.000 1.051 90 K CA 1.885 57.657 56.287 -0.859 0.000 0.949 90 K CB -0.650 31.052 32.500 -1.329 0.000 0.726 90 K HN 0.336 nan 8.250 nan 0.000 0.443 91 T N -0.016 114.202 114.554 -0.561 0.000 2.995 91 T HA 0.022 4.372 4.350 -0.000 0.000 0.269 91 T C 1.660 176.169 174.700 -0.318 0.000 1.091 91 T CA 0.908 62.704 62.100 -0.507 0.000 1.128 91 T CB -0.524 67.891 68.868 -0.755 0.000 0.891 91 T HN 0.507 nan 8.240 nan 0.000 0.492 92 G N 2.676 111.336 108.800 -0.233 0.000 2.553 92 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 92 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 92 G C -0.701 174.132 174.900 -0.113 0.000 1.195 92 G CA 0.813 45.841 45.100 -0.120 0.000 0.779 92 G HN 0.395 nan 8.290 nan 0.000 0.577 93 P HA -0.095 nan 4.420 nan 0.000 0.214 93 P C 1.657 178.875 177.300 -0.137 0.000 1.163 93 P CA 1.673 64.704 63.100 -0.116 0.000 0.889 93 P CB 0.020 31.658 31.700 -0.103 0.000 0.790 94 E N -0.085 120.023 120.200 -0.153 0.000 2.085 94 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 94 E C 1.927 178.438 176.600 -0.148 0.000 0.994 94 E CA 1.815 58.122 56.400 -0.155 0.000 0.801 94 E CB -1.194 28.410 29.700 -0.159 0.000 0.743 94 E HN 0.076 nan 8.360 nan 0.000 0.453 95 A N 0.122 122.858 122.820 -0.139 0.000 1.969 95 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 95 A C 2.020 179.558 177.584 -0.077 0.000 1.169 95 A CA 1.303 53.275 52.037 -0.109 0.000 0.635 95 A CB -0.359 18.573 19.000 -0.113 0.000 0.810 95 A HN 0.307 nan 8.150 nan 0.000 0.445 96 I N -0.355 120.169 120.570 -0.077 0.000 2.480 96 I HA -0.045 4.124 4.170 -0.000 0.000 0.251 96 I C 2.314 178.402 176.117 -0.049 0.000 1.124 96 I CA 0.633 61.916 61.300 -0.028 0.000 1.444 96 I CB -1.328 36.644 38.000 -0.046 0.000 1.098 96 I HN 0.254 nan 8.210 nan 0.000 0.428 97 L N 0.507 121.645 121.223 -0.142 0.000 2.079 97 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 97 L C 2.493 179.176 176.870 -0.313 0.000 1.081 97 L CA 1.416 56.123 54.840 -0.222 0.000 0.752 97 L CB -0.497 41.400 42.059 -0.271 0.000 0.896 97 L HN 0.309 nan 8.230 nan 0.000 0.433 98 E N 0.605 120.662 120.200 -0.239 0.000 2.118 98 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 98 E C 2.327 178.900 176.600 -0.045 0.000 0.992 98 E CA 1.055 57.343 56.400 -0.186 0.000 0.804 98 E CB -0.016 29.615 29.700 -0.114 0.000 0.741 98 E HN 0.463 nan 8.360 nan 0.000 0.458 99 L N 0.830 122.064 121.223 0.018 0.000 2.093 99 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 99 L C 2.764 179.722 176.870 0.147 0.000 1.085 99 L CA 0.974 55.861 54.840 0.079 0.000 0.755 99 L CB -0.481 41.648 42.059 0.116 0.000 0.904 99 L HN 0.224 nan 8.230 nan 0.000 0.435 100 E N 0.217 120.565 120.200 0.247 0.000 2.153 100 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 100 E C 1.932 178.709 176.600 0.294 0.000 0.988 100 E CA 1.396 57.995 56.400 0.332 0.000 0.811 100 E CB -0.044 29.860 29.700 0.339 0.000 0.746 100 E HN 0.642 nan 8.360 nan 0.000 0.466 101 H N -1.059 118.049 119.070 0.064 0.000 2.495 101 H HA 0.057 4.613 4.556 -0.000 0.000 0.287 101 H C 1.727 177.064 175.328 0.016 0.000 1.033 101 H CA 0.520 56.586 56.048 0.030 0.000 1.307 101 H CB 0.157 29.926 29.762 0.013 0.000 1.401 101 H HN 0.145 nan 8.280 nan 0.000 0.555 102 M N -0.328 119.354 119.600 0.136 0.000 2.659 102 M HA 0.078 4.558 4.480 -0.000 0.000 0.243 102 M C 1.346 177.668 176.300 0.036 0.000 1.111 102 M CA 0.746 56.081 55.300 0.058 0.000 1.070 102 M CB 0.846 33.462 32.600 0.027 0.000 1.525 102 M HN 0.480 nan 8.290 nan 0.000 0.517 103 G N 1.090 109.924 108.800 0.057 0.000 2.179 103 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 103 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 103 G C 0.043 174.945 174.900 0.003 0.000 0.990 103 G CA -0.512 44.607 45.100 0.031 0.000 0.646 103 G HN 0.418 nan 8.290 nan 0.000 0.517 104 L N 2.833 124.038 121.223 -0.030 0.000 2.667 104 L HA 0.236 4.575 4.340 -0.000 0.000 0.278 104 L C -1.092 175.668 176.870 -0.184 0.000 1.217 104 L CA -0.422 54.309 54.840 -0.181 0.000 0.935 104 L CB 0.589 42.419 42.059 -0.382 0.000 1.193 104 L HN 0.039 nan 8.230 nan 0.000 0.493 105 P HA 0.080 nan 4.420 nan 0.000 0.220 105 P C -0.490 176.776 177.300 -0.057 0.000 1.806 105 P CA -0.312 62.751 63.100 -0.062 0.000 0.976 105 P CB -0.333 31.350 31.700 -0.028 0.000 1.952 106 F N 0.558 120.537 119.950 0.048 0.000 2.646 106 F HA -0.061 4.466 4.527 -0.000 0.000 0.363 106 F C 1.673 177.511 175.800 0.062 0.000 1.143 106 F CA 0.922 58.957 58.000 0.058 0.000 1.356 106 F CB -0.134 38.897 39.000 0.052 0.000 1.055 106 F HN 0.091 nan 8.300 nan 0.000 0.606 107 S N 3.169 119.053 115.700 0.308 0.000 2.589 107 S HA 0.448 4.918 4.470 -0.000 0.000 0.265 107 S C 0.096 174.816 174.600 0.199 0.000 1.342 107 S CA -0.765 57.545 58.200 0.183 0.000 1.005 107 S CB 0.631 63.908 63.200 0.129 0.000 0.909 107 S HN 0.327 nan 8.310 nan 0.000 0.555 108 R N 0.431 120.987 120.500 0.093 0.000 2.750 108 R HA 0.519 4.859 4.340 -0.000 0.000 0.281 108 R C -0.618 175.724 176.300 0.071 0.000 0.972 108 R CA -0.679 55.478 56.100 0.095 0.000 0.912 108 R CB 0.844 31.181 30.300 0.062 0.000 1.187 108 R HN 0.512 nan 8.270 nan 0.000 0.464 109 L N 1.062 122.347 121.223 0.103 0.000 2.479 109 L HA 0.155 4.495 4.340 -0.000 0.000 0.249 109 L C 1.211 178.107 176.870 0.044 0.000 1.178 109 L CA -0.401 54.493 54.840 0.090 0.000 0.811 109 L CB 0.496 42.612 42.059 0.096 0.000 1.187 109 L HN 0.475 nan 8.230 nan 0.000 0.480 110 D N 0.218 120.640 120.400 0.036 0.000 2.218 110 D HA -0.160 4.479 4.640 -0.000 0.000 0.204 110 D C 1.114 177.427 176.300 0.020 0.000 0.976 110 D CA 1.171 55.184 54.000 0.022 0.000 0.853 110 D CB -0.148 40.663 40.800 0.020 0.000 0.939 110 D HN 0.595 nan 8.370 nan 0.000 0.481 111 D N -1.596 118.818 120.400 0.024 0.000 2.339 111 D HA 0.168 4.808 4.640 -0.000 0.000 0.217 111 D C 1.492 177.803 176.300 0.017 0.000 1.050 111 D CA 0.624 54.634 54.000 0.018 0.000 0.856 111 D CB 0.084 40.894 40.800 0.016 0.000 0.922 111 D HN 0.167 nan 8.370 nan 0.000 0.518 112 G N -0.074 108.740 108.800 0.023 0.000 2.194 112 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.236 112 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.236 112 G C 0.374 175.291 174.900 0.028 0.000 0.987 112 G CA -0.213 44.902 45.100 0.026 0.000 0.635 112 G HN 0.420 nan 8.290 nan 0.000 0.520 113 R N -0.245 120.267 120.500 0.021 0.000 2.577 113 R HA 0.600 4.940 4.340 -0.000 0.000 0.269 113 R C 0.797 177.099 176.300 0.004 0.000 1.084 113 R CA -0.717 55.383 56.100 0.001 0.000 1.163 113 R CB 0.731 31.020 30.300 -0.018 0.000 1.100 113 R HN 0.258 nan 8.270 nan 0.000 0.547 114 I N 2.212 122.746 120.570 -0.060 0.000 2.683 114 I HA -0.144 4.026 4.170 -0.000 0.000 0.286 114 I C 0.174 176.267 176.117 -0.040 0.000 1.175 114 I CA 0.306 61.543 61.300 -0.106 0.000 1.429 114 I CB -0.026 37.724 38.000 -0.417 0.000 1.371 114 I HN 0.429 nan 8.210 nan 0.000 0.569 115 Y N 7.561 127.824 120.300 -0.062 0.000 2.442 115 Y HA 0.151 4.701 4.550 -0.000 0.000 0.330 115 Y C -0.201 175.666 175.900 -0.055 0.000 1.129 115 Y CA -0.121 57.960 58.100 -0.031 0.000 1.365 115 Y CB 0.370 38.844 38.460 0.023 0.000 1.233 115 Y HN 0.493 nan 8.280 nan 0.000 0.529 116 Q N 6.654 126.048 119.800 -0.676 0.000 2.340 116 Q HA 0.451 4.791 4.340 -0.000 0.000 0.268 116 Q C -1.051 174.464 176.000 -0.808 0.000 1.031 116 Q CA -1.145 54.272 55.803 -0.643 0.000 0.804 116 Q CB 2.380 30.896 28.738 -0.368 0.000 1.286 116 Q HN 0.778 nan 8.270 nan 0.000 0.448 117 R N 0.785 120.943 120.500 -0.570 0.000 2.828 117 R HA 0.721 5.061 4.340 -0.000 0.000 0.264 117 R C -2.810 173.477 176.300 -0.022 0.000 1.022 117 R CA -2.186 53.756 56.100 -0.263 0.000 1.021 117 R CB 0.610 30.864 30.300 -0.078 0.000 1.163 117 R HN 0.200 nan 8.270 nan 0.000 0.494 118 P HA 0.197 nan 4.420 nan 0.000 0.272 118 P C -1.305 176.172 177.300 0.294 0.000 1.230 118 P CA -0.062 63.121 63.100 0.139 0.000 0.788 118 P CB 0.359 32.119 31.700 0.099 0.000 0.949 119 F N -0.986 118.957 119.950 -0.012 0.000 2.779 119 F HA 0.524 5.051 4.527 -0.000 0.000 0.316 119 F C 0.248 176.031 175.800 -0.028 0.000 1.164 119 F CA -0.441 57.548 58.000 -0.019 0.000 0.924 119 F CB 0.967 39.955 39.000 -0.021 0.000 1.348 119 F HN 0.295 nan 8.300 nan 0.000 0.467 120 G N 0.195 108.963 108.800 -0.054 0.000 2.432 120 G HA2 0.444 4.403 3.960 -0.000 0.000 0.257 120 G HA3 0.444 4.403 3.960 -0.000 0.000 0.257 120 G C 0.582 175.489 174.900 0.012 0.000 1.238 120 G CA 0.210 45.255 45.100 -0.092 0.000 0.838 120 G HN 1.696 nan 8.290 nan 0.000 0.547 121 G N 0.366 109.157 108.800 -0.015 0.000 2.198 121 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.257 121 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.257 121 G C 0.134 175.124 174.900 0.151 0.000 1.042 121 G CA 0.393 45.549 45.100 0.093 0.000 0.791 121 G HN 0.842 nan 8.290 nan 0.000 0.502 122 Q N 0.003 119.882 119.800 0.132 0.000 2.325 122 Q HA 0.633 4.973 4.340 -0.000 0.000 0.270 122 Q C -0.137 175.923 176.000 0.099 0.000 1.020 122 Q CA -0.088 55.794 55.803 0.132 0.000 0.785 122 Q CB 2.209 31.020 28.738 0.123 0.000 1.259 122 Q HN 0.731 nan 8.270 nan 0.000 0.452 123 S N 1.618 117.369 115.700 0.086 0.000 2.588 123 S HA 0.626 5.096 4.470 -0.000 0.000 0.275 123 S C -0.970 173.533 174.600 -0.161 0.000 1.130 123 S CA -1.075 57.108 58.200 -0.030 0.000 0.855 123 S CB 1.999 65.191 63.200 -0.012 0.000 1.116 123 S HN 0.429 nan 8.310 nan 0.000 0.472 124 K N 0.995 121.158 120.400 -0.395 0.000 2.098 124 K HA 0.482 4.802 4.320 -0.000 0.000 0.258 124 K C -0.468 175.325 176.600 -1.345 0.000 0.973 124 K CA -0.798 54.918 56.287 -0.952 0.000 0.898 124 K CB 0.327 32.368 32.500 -0.766 0.000 1.057 124 K HN 0.813 nan 8.250 nan 0.000 0.447 125 N N 1.068 118.203 118.700 -2.609 0.000 2.740 125 N HA -0.206 4.533 4.740 -0.000 0.000 0.248 125 N C -1.296 173.693 175.510 -0.868 0.000 1.062 125 N CA 0.560 52.678 53.050 -1.552 0.000 0.704 125 N CB -1.579 36.470 38.487 -0.730 0.000 0.968 125 N HN 0.619 nan 8.380 nan 0.000 0.547 126 F N -1.819 117.623 119.950 -0.847 0.000 2.807 126 F HA -0.132 4.395 4.527 -0.000 0.000 0.297 126 F C 1.421 176.667 175.800 -0.923 0.000 1.024 126 F CA 1.107 58.494 58.000 -1.021 0.000 1.008 126 F CB -1.800 36.708 39.000 -0.821 0.000 1.142 126 F HN 0.475 nan 8.300 nan 0.000 0.829 127 G N -1.041 107.540 108.800 -0.366 0.000 2.144 127 G HA2 0.116 4.076 3.960 -0.000 0.000 0.218 127 G HA3 0.116 4.076 3.960 -0.000 0.000 0.218 127 G C 0.799 175.636 174.900 -0.105 0.000 0.988 127 G CA -0.014 45.055 45.100 -0.053 0.000 0.659 127 G HN 1.379 nan 8.290 nan 0.000 0.522 128 G N -0.515 108.153 108.800 -0.220 0.000 2.928 128 G HA2 0.509 4.469 3.960 -0.000 0.000 0.163 128 G HA3 0.509 4.469 3.960 -0.000 0.000 0.163 128 G C 0.249 175.052 174.900 -0.162 0.000 1.573 128 G CA 0.335 45.316 45.100 -0.198 0.000 1.084 128 G HN 0.574 nan 8.290 nan 0.000 0.569 129 E N -0.037 120.051 120.200 -0.188 0.000 2.437 129 E HA 0.086 4.436 4.350 -0.000 0.000 0.263 129 E C 0.202 176.719 176.600 -0.138 0.000 1.030 129 E CA -0.205 56.106 56.400 -0.148 0.000 0.934 129 E CB 0.457 30.058 29.700 -0.166 0.000 0.943 129 E HN 0.307 nan 8.360 nan 0.000 0.444 130 Q N 1.775 121.525 119.800 -0.083 0.000 2.315 130 Q HA 0.168 4.508 4.340 -0.000 0.000 0.289 130 Q C -1.331 174.626 176.000 -0.072 0.000 1.044 130 Q CA 0.419 56.195 55.803 -0.045 0.000 0.920 130 Q CB 1.000 29.730 28.738 -0.014 0.000 1.214 130 Q HN 0.486 nan 8.270 nan 0.000 0.392 131 A N 2.947 125.763 122.820 -0.006 0.000 2.288 131 A HA 0.882 5.202 4.320 -0.000 0.000 0.328 131 A C -1.054 176.641 177.584 0.185 0.000 1.123 131 A CA -0.290 51.794 52.037 0.078 0.000 0.861 131 A CB 1.418 20.519 19.000 0.169 0.000 1.272 131 A HN 0.997 nan 8.150 nan 0.000 0.490 132 A N 0.567 123.611 122.820 0.373 0.000 2.815 132 A HA 0.560 4.880 4.320 -0.000 0.000 0.318 132 A C 0.178 177.757 177.584 -0.009 0.000 1.186 132 A CA -0.413 51.708 52.037 0.141 0.000 0.754 132 A CB 0.068 19.132 19.000 0.107 0.000 1.151 132 A HN 1.017 nan 8.150 nan 0.000 0.452 133 R N 0.287 120.755 120.500 -0.054 0.000 2.565 133 R HA 0.209 4.549 4.340 -0.000 0.000 0.347 133 R C -0.750 175.413 176.300 -0.229 0.000 1.010 133 R CA 0.008 56.006 56.100 -0.170 0.000 1.126 133 R CB 0.182 30.386 30.300 -0.160 0.000 1.331 133 R HN 0.294 nan 8.270 nan 0.000 0.552 134 T N 1.837 116.250 114.554 -0.236 0.000 2.727 134 T HA 0.457 4.807 4.350 -0.000 0.000 0.298 134 T C 0.072 174.605 174.700 -0.278 0.000 0.942 134 T CA -0.259 61.650 62.100 -0.320 0.000 0.997 134 T CB 1.205 69.745 68.868 -0.546 0.000 0.917 134 T HN 0.384 nan 8.240 nan 0.000 0.487 135 A N 3.278 125.966 122.820 -0.221 0.000 2.440 135 A HA 0.713 5.033 4.320 -0.000 0.000 0.251 135 A C 0.412 178.040 177.584 0.073 0.000 1.089 135 A CA -0.550 51.387 52.037 -0.166 0.000 0.779 135 A CB 0.091 18.913 19.000 -0.296 0.000 1.022 135 A HN 1.014 nan 8.150 nan 0.000 0.492 136 A N 1.295 124.247 122.820 0.220 0.000 2.498 136 A HA 0.794 5.114 4.320 -0.000 0.000 0.298 136 A C -0.240 177.578 177.584 0.391 0.000 1.075 136 A CA 0.005 52.220 52.037 0.295 0.000 0.714 136 A CB 1.436 20.572 19.000 0.226 0.000 1.299 136 A HN 2.228 nan 8.150 nan 0.000 0.407 137 A N 1.386 124.331 122.820 0.208 0.000 2.394 137 A HA 0.753 5.073 4.320 -0.000 0.000 0.333 137 A C 0.903 178.553 177.584 0.109 0.000 1.397 137 A CA 0.682 52.795 52.037 0.127 0.000 0.884 137 A CB -0.845 18.156 19.000 0.002 0.000 1.147 137 A HN 2.843 nan 8.150 nan 0.000 0.505 138 A N 2.507 125.397 122.820 0.115 0.000 5.395 138 A HA -0.272 4.048 4.320 -0.000 0.000 0.324 138 A C 0.779 178.429 177.584 0.111 0.000 1.813 138 A CA 1.873 53.960 52.037 0.084 0.000 0.714 138 A CB -1.366 17.655 19.000 0.036 0.000 1.374 138 A HN 1.588 nan 8.150 nan 0.000 0.390 139 D N -0.318 120.129 120.400 0.078 0.000 2.755 139 D HA 0.385 5.025 4.640 -0.000 0.000 0.257 139 D C 0.477 176.814 176.300 0.062 0.000 1.291 139 D CA 0.023 54.074 54.000 0.086 0.000 0.836 139 D CB -0.245 40.603 40.800 0.080 0.000 1.059 139 D HN 0.580 nan 8.370 nan 0.000 0.486 140 R N -0.376 120.159 120.500 0.060 0.000 2.700 140 R HA 0.218 4.557 4.340 -0.000 0.000 0.399 140 R C 0.555 176.912 176.300 0.094 0.000 1.115 140 R CA -0.174 55.964 56.100 0.063 0.000 1.058 140 R CB 0.345 30.659 30.300 0.023 0.000 1.389 140 R HN -0.014 nan 8.270 nan 0.000 0.582 141 T N -0.016 114.578 114.554 0.067 0.000 2.788 141 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 141 T C 1.993 176.704 174.700 0.017 0.000 1.044 141 T CA 1.789 63.908 62.100 0.031 0.000 1.139 141 T CB -0.019 68.873 68.868 0.039 0.000 0.867 141 T HN 0.558 nan 8.240 nan 0.000 0.454 142 G N 0.547 109.368 108.800 0.036 0.000 2.402 142 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 142 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 142 G C 1.237 176.162 174.900 0.042 0.000 1.162 142 G CA 1.186 46.295 45.100 0.015 0.000 0.777 142 G HN 0.641 nan 8.290 nan 0.000 0.539 143 H N 1.136 120.215 119.070 0.015 0.000 2.290 143 H HA 0.038 4.594 4.556 -0.000 0.000 0.298 143 H C 2.695 178.095 175.328 0.120 0.000 1.087 143 H CA 2.340 58.443 56.048 0.092 0.000 1.291 143 H CB -0.322 29.494 29.762 0.090 0.000 1.369 143 H HN 0.276 nan 8.280 nan 0.000 0.492 144 A N 0.742 123.599 122.820 0.062 0.000 1.883 144 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 144 A C 2.459 179.973 177.584 -0.116 0.000 1.186 144 A CA 1.735 53.739 52.037 -0.054 0.000 0.624 144 A CB -1.091 17.860 19.000 -0.081 0.000 0.822 144 A HN 0.516 nan 8.150 nan 0.000 0.444 145 L N -0.911 120.245 121.223 -0.111 0.000 2.012 145 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 145 L C 2.264 179.086 176.870 -0.080 0.000 1.073 145 L CA 2.253 57.032 54.840 -0.101 0.000 0.748 145 L CB -0.652 41.368 42.059 -0.064 0.000 0.891 145 L HN 0.350 nan 8.230 nan 0.000 0.431 146 L N -1.073 120.090 121.223 -0.099 0.000 2.044 146 L HA -0.170 4.170 4.340 -0.000 0.000 0.205 146 L C 2.440 179.206 176.870 -0.173 0.000 1.075 146 L CA 1.820 56.575 54.840 -0.141 0.000 0.747 146 L CB -0.793 41.151 42.059 -0.191 0.000 0.903 146 L HN 0.399 nan 8.230 nan 0.000 0.435 147 H N -1.375 117.602 119.070 -0.154 0.000 2.352 147 H HA -0.154 4.401 4.556 -0.000 0.000 0.299 147 H C 2.054 177.368 175.328 -0.023 0.000 1.097 147 H CA 2.197 58.188 56.048 -0.094 0.000 1.311 147 H CB -0.293 29.326 29.762 -0.238 0.000 1.377 147 H HN 0.334 nan 8.280 nan 0.000 0.504 148 T N 0.485 115.059 114.554 0.034 0.000 2.746 148 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 148 T C 2.135 176.832 174.700 -0.005 0.000 1.039 148 T CA 1.133 63.234 62.100 0.002 0.000 1.142 148 T CB -0.276 68.567 68.868 -0.042 0.000 0.866 148 T HN 0.197 nan 8.240 nan 0.000 0.444 149 L N -0.393 120.822 121.223 -0.013 0.000 2.083 149 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 149 L C 2.387 179.254 176.870 -0.005 0.000 1.083 149 L CA 1.378 56.208 54.840 -0.017 0.000 0.752 149 L CB -0.542 41.504 42.059 -0.022 0.000 0.899 149 L HN 0.263 nan 8.230 nan 0.000 0.433 150 Y N 0.873 121.108 120.300 -0.108 0.000 2.200 150 Y HA -0.265 4.285 4.550 -0.000 0.000 0.290 150 Y C 2.641 178.502 175.900 -0.066 0.000 1.137 150 Y CA 1.512 59.542 58.100 -0.117 0.000 1.163 150 Y CB -0.241 38.123 38.460 -0.159 0.000 0.988 150 Y HN 0.184 nan 8.280 nan 0.000 0.518 151 Q N -0.498 119.253 119.800 -0.081 0.000 2.084 151 Q HA -0.242 4.097 4.340 -0.000 0.000 0.202 151 Q C 2.214 178.106 176.000 -0.180 0.000 0.978 151 Q CA 1.647 57.368 55.803 -0.136 0.000 0.844 151 Q CB -0.174 28.555 28.738 -0.016 0.000 0.898 151 Q HN 0.489 nan 8.270 nan 0.000 0.426 152 Q N 0.377 120.101 119.800 -0.126 0.000 2.124 152 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 152 Q C 1.709 177.608 176.000 -0.169 0.000 0.977 152 Q CA 1.002 56.731 55.803 -0.123 0.000 0.850 152 Q CB -0.358 28.334 28.738 -0.076 0.000 0.901 152 Q HN 0.438 nan 8.270 nan 0.000 0.429 153 N N 0.438 119.018 118.700 -0.201 0.000 2.166 153 N HA -0.081 4.659 4.740 -0.000 0.000 0.186 153 N C 2.019 177.354 175.510 -0.290 0.000 1.019 153 N CA 0.694 53.613 53.050 -0.218 0.000 0.856 153 N CB -0.089 38.286 38.487 -0.187 0.000 0.993 153 N HN 0.236 nan 8.380 nan 0.000 0.426 154 L N 1.368 122.343 121.223 -0.413 0.000 1.989 154 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 154 L C 2.567 179.227 176.870 -0.350 0.000 1.071 154 L CA 1.299 55.920 54.840 -0.364 0.000 0.749 154 L CB -0.457 41.375 42.059 -0.378 0.000 0.890 154 L HN 0.167 nan 8.230 nan 0.000 0.431 155 K N 0.685 120.899 120.400 -0.310 0.000 2.152 155 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 155 K C 1.287 177.609 176.600 -0.464 0.000 1.048 155 K CA 1.936 58.021 56.287 -0.337 0.000 0.933 155 K CB -0.074 32.306 32.500 -0.201 0.000 0.721 155 K HN 0.428 nan 8.250 nan 0.000 0.447 156 N N -0.297 118.200 118.700 -0.339 0.000 2.336 156 N HA 0.010 4.750 4.740 -0.000 0.000 0.189 156 N C -0.835 174.585 175.510 -0.149 0.000 1.113 156 N CA 0.004 52.917 53.050 -0.228 0.000 0.858 156 N CB 0.402 38.822 38.487 -0.112 0.000 0.970 156 N HN 0.199 nan 8.380 nan 0.000 0.471 157 H N -1.044 117.984 119.070 -0.069 0.000 2.791 157 H HA -0.131 4.425 4.556 -0.000 0.000 0.302 157 H C -0.522 174.774 175.328 -0.055 0.000 1.198 157 H CA 0.719 56.732 56.048 -0.059 0.000 1.145 157 H CB -2.629 27.111 29.762 -0.037 0.000 1.385 157 H HN 0.176 nan 8.280 nan 0.000 0.409 158 T N 1.382 115.933 114.554 -0.005 0.000 2.946 158 T HA 0.079 4.428 4.350 -0.000 0.000 0.311 158 T C 1.036 175.724 174.700 -0.020 0.000 1.063 158 T CA 0.472 62.560 62.100 -0.020 0.000 1.139 158 T CB 0.720 69.549 68.868 -0.064 0.000 0.994 158 T HN 0.240 nan 8.240 nan 0.000 0.547 159 T N 4.656 119.203 114.554 -0.013 0.000 2.752 159 T HA 0.351 4.700 4.350 -0.000 0.000 0.295 159 T C 0.309 174.934 174.700 -0.126 0.000 0.923 159 T CA -0.106 61.961 62.100 -0.055 0.000 1.112 159 T CB -0.274 68.630 68.868 0.060 0.000 0.884 159 T HN 0.361 nan 8.240 nan 0.000 0.525 160 I N 3.834 124.278 120.570 -0.210 0.000 2.389 160 I HA 0.365 4.535 4.170 -0.000 0.000 0.288 160 I C -0.718 175.219 176.117 -0.301 0.000 0.999 160 I CA -0.804 60.403 61.300 -0.156 0.000 1.129 160 I CB 1.478 39.445 38.000 -0.056 0.000 1.288 160 I HN 0.548 nan 8.210 nan 0.000 0.444 161 F N 4.633 124.492 119.950 -0.152 0.000 2.309 161 F HA 0.243 4.769 4.527 -0.000 0.000 0.366 161 F C 0.899 176.773 175.800 0.123 0.000 1.104 161 F CA -0.317 57.586 58.000 -0.162 0.000 1.179 161 F CB 1.188 39.760 39.000 -0.712 0.000 1.437 161 F HN 0.347 nan 8.300 nan 0.000 0.528 162 S N 2.539 118.453 115.700 0.356 0.000 2.537 162 S HA 0.227 4.697 4.470 -0.000 0.000 0.275 162 S C 0.359 175.223 174.600 0.439 0.000 1.272 162 S CA -0.202 58.189 58.200 0.319 0.000 1.050 162 S CB 0.263 63.620 63.200 0.262 0.000 0.961 162 S HN 0.762 nan 8.310 nan 0.000 0.496 163 E N 1.621 122.011 120.200 0.317 0.000 2.416 163 E HA -0.186 4.164 4.350 -0.000 0.000 0.249 163 E C -1.576 175.115 176.600 0.153 0.000 1.124 163 E CA 0.608 57.137 56.400 0.215 0.000 0.732 163 E CB -1.322 28.492 29.700 0.189 0.000 1.286 163 E HN 0.605 nan 8.360 nan 0.000 0.394 164 W N 0.422 121.776 121.300 0.089 0.000 2.520 164 W HA 0.466 5.125 4.660 -0.000 0.000 0.323 164 W C -0.002 176.550 176.519 0.055 0.000 1.062 164 W CA -0.614 56.782 57.345 0.085 0.000 1.215 164 W CB 0.685 30.192 29.460 0.078 0.000 1.340 164 W HN 0.161 nan 8.180 nan 0.000 0.516 165 Y N 3.032 123.418 120.300 0.144 0.000 2.417 165 Y HA 0.614 5.164 4.550 -0.000 0.000 0.336 165 Y C 0.277 176.230 175.900 0.088 0.000 0.961 165 Y CA -1.136 57.000 58.100 0.061 0.000 1.215 165 Y CB 0.330 38.775 38.460 -0.025 0.000 1.120 165 Y HN 0.513 nan 8.280 nan 0.000 0.499 166 A N 7.023 129.634 122.820 -0.348 0.000 2.491 166 A HA 0.218 4.538 4.320 -0.000 0.000 0.261 166 A C 0.296 177.732 177.584 -0.245 0.000 1.101 166 A CA -0.023 51.880 52.037 -0.223 0.000 0.772 166 A CB 0.083 18.947 19.000 -0.226 0.000 1.043 166 A HN 1.087 nan 8.150 nan 0.000 0.501 167 L N 1.570 122.825 121.223 0.052 0.000 2.116 167 L HA 0.218 4.558 4.340 -0.000 0.000 0.200 167 L C 0.346 177.271 176.870 0.092 0.000 1.084 167 L CA 0.699 55.633 54.840 0.156 0.000 0.766 167 L CB -0.040 42.133 42.059 0.191 0.000 0.930 167 L HN 0.594 nan 8.230 nan 0.000 0.453 168 D N -1.441 119.004 120.400 0.075 0.000 2.654 168 D HA 0.383 5.023 4.640 -0.000 0.000 0.231 168 D C -1.051 175.280 176.300 0.052 0.000 1.239 168 D CA -0.494 53.540 54.000 0.056 0.000 0.790 168 D CB 2.534 43.371 40.800 0.061 0.000 1.480 168 D HN -0.140 nan 8.370 nan 0.000 0.442 169 L N 0.671 121.918 121.223 0.039 0.000 2.467 169 L HA 0.294 4.634 4.340 -0.000 0.000 0.270 169 L C 0.154 177.046 176.870 0.037 0.000 1.205 169 L CA -0.462 54.406 54.840 0.047 0.000 0.828 169 L CB 0.542 42.622 42.059 0.035 0.000 1.101 169 L HN 0.025 nan 8.230 nan 0.000 0.479 170 V N 2.618 122.563 119.914 0.052 0.000 2.394 170 V HA 0.336 4.456 4.120 -0.000 0.000 0.282 170 V C 0.067 176.171 176.094 0.018 0.000 1.031 170 V CA -0.773 61.525 62.300 -0.004 0.000 0.881 170 V CB 1.404 33.174 31.823 -0.088 0.000 0.982 170 V HN 0.635 nan 8.190 nan 0.000 0.451 171 K N 3.488 123.884 120.400 -0.008 0.000 2.207 171 K HA 0.462 4.782 4.320 -0.000 0.000 0.255 171 K C -0.303 176.294 176.600 -0.004 0.000 0.941 171 K CA -0.730 55.559 56.287 0.003 0.000 0.825 171 K CB 1.742 34.239 32.500 -0.004 0.000 1.119 171 K HN 0.862 nan 8.250 nan 0.000 0.430 172 N N 0.659 119.365 118.700 0.010 0.000 2.405 172 N HA -0.055 4.685 4.740 -0.000 0.000 0.269 172 N C 0.693 176.203 175.510 -0.001 0.000 1.249 172 N CA -0.244 52.810 53.050 0.007 0.000 0.974 172 N CB 0.309 38.810 38.487 0.023 0.000 1.204 172 N HN 0.597 nan 8.380 nan 0.000 0.565 173 Q N -1.670 118.129 119.800 -0.002 0.000 2.364 173 Q HA -0.076 4.264 4.340 -0.000 0.000 0.209 173 Q C -0.413 175.584 176.000 -0.005 0.000 0.977 173 Q CA 1.328 57.128 55.803 -0.005 0.000 0.885 173 Q CB -0.253 28.482 28.738 -0.005 0.000 0.941 173 Q HN 0.535 nan 8.270 nan 0.000 0.464 174 D N 0.344 120.743 120.400 -0.002 0.000 2.340 174 D HA 0.096 4.736 4.640 -0.000 0.000 0.220 174 D C 0.864 177.159 176.300 -0.007 0.000 1.039 174 D CA 0.839 54.837 54.000 -0.004 0.000 0.866 174 D CB 0.660 41.460 40.800 0.000 0.000 0.913 174 D HN 0.540 nan 8.370 nan 0.000 0.523 175 G N 0.927 109.723 108.800 -0.007 0.000 2.162 175 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 175 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 175 G C 0.546 175.442 174.900 -0.008 0.000 0.976 175 G CA 0.220 45.313 45.100 -0.011 0.000 0.655 175 G HN 0.600 nan 8.290 nan 0.000 0.533 176 A N -0.326 122.495 122.820 0.002 0.000 2.388 176 A HA 0.696 5.016 4.320 -0.000 0.000 0.257 176 A C 0.604 178.204 177.584 0.026 0.000 1.095 176 A CA 0.127 52.171 52.037 0.011 0.000 0.791 176 A CB 1.090 20.103 19.000 0.022 0.000 1.029 176 A HN 1.110 nan 8.150 nan 0.000 0.489 177 V N 2.871 122.805 119.914 0.033 0.000 2.461 177 V HA 0.269 4.389 4.120 -0.000 0.000 0.275 177 V C 0.789 176.939 176.094 0.094 0.000 1.047 177 V CA 0.408 62.742 62.300 0.057 0.000 0.955 177 V CB 1.171 33.026 31.823 0.054 0.000 0.988 177 V HN 0.973 nan 8.190 nan 0.000 0.471 178 V N 2.039 122.026 119.914 0.122 0.000 2.988 178 V HA 0.879 4.999 4.120 -0.000 0.000 0.356 178 V C 0.537 176.782 176.094 0.251 0.000 1.380 178 V CA 0.404 62.804 62.300 0.167 0.000 1.184 178 V CB -0.451 31.472 31.823 0.167 0.000 1.204 178 V HN 1.265 nan 8.190 nan 0.000 0.530 179 G N -0.311 108.624 108.800 0.225 0.000 2.280 179 G HA2 0.276 4.236 3.960 -0.000 0.000 0.277 179 G HA3 0.276 4.236 3.960 -0.000 0.000 0.277 179 G C -0.536 174.523 174.900 0.265 0.000 1.288 179 G CA 0.339 45.595 45.100 0.259 0.000 1.075 179 G HN 1.825 nan 8.290 nan 0.000 0.480 180 C N -2.231 117.267 119.300 0.331 0.000 3.306 180 C HA 0.950 5.410 4.460 -0.000 0.000 0.335 180 C C 0.205 175.409 174.990 0.358 0.000 1.382 180 C CA 0.275 59.441 59.018 0.247 0.000 1.254 180 C CB 1.174 28.983 27.740 0.115 0.000 1.555 180 C HN 2.057 nan 8.230 nan 0.000 0.463 181 T N -0.004 114.702 114.554 0.254 0.000 2.902 181 T HA 0.852 5.202 4.350 -0.000 0.000 0.283 181 T C -0.197 174.677 174.700 0.290 0.000 1.009 181 T CA 0.199 62.473 62.100 0.290 0.000 1.051 181 T CB 1.487 70.463 68.868 0.180 0.000 0.999 181 T HN 2.251 nan 8.240 nan 0.000 0.474 182 A N 1.784 124.845 122.820 0.402 0.000 2.539 182 A HA 0.749 5.069 4.320 -0.000 0.000 0.296 182 A C -1.444 176.416 177.584 0.460 0.000 1.073 182 A CA -0.969 51.323 52.037 0.424 0.000 0.700 182 A CB 1.681 20.965 19.000 0.472 0.000 1.296 182 A HN 0.969 nan 8.150 nan 0.000 0.405 183 L N 1.750 123.179 121.223 0.343 0.000 2.305 183 L HA 0.603 4.943 4.340 -0.000 0.000 0.284 183 L C -0.204 176.597 176.870 -0.117 0.000 1.013 183 L CA -0.392 54.524 54.840 0.127 0.000 0.819 183 L CB 1.032 43.142 42.059 0.086 0.000 1.227 183 L HN 0.848 nan 8.230 nan 0.000 0.417 184 C N 6.463 125.421 119.300 -0.570 0.000 2.540 184 C HA 0.259 4.719 4.460 -0.000 0.000 0.377 184 C C 1.867 176.478 174.990 -0.631 0.000 1.274 184 C CA -0.426 57.843 59.018 -1.248 0.000 1.718 184 C CB -1.475 25.255 27.740 -1.683 0.000 2.391 184 C HN 0.978 nan 8.230 nan 0.000 0.565 185 I N 3.493 123.740 120.570 -0.539 0.000 2.286 185 I HA -0.148 4.022 4.170 -0.000 0.000 0.248 185 I C 2.549 178.353 176.117 -0.523 0.000 1.115 185 I CA 1.569 62.546 61.300 -0.539 0.000 1.392 185 I CB -0.422 37.175 38.000 -0.673 0.000 1.065 185 I HN 0.818 nan 8.210 nan 0.000 0.418 186 E N 0.717 120.732 120.200 -0.309 0.000 2.051 186 E HA -0.260 4.089 4.350 -0.000 0.000 0.192 186 E C 2.098 178.677 176.600 -0.034 0.000 0.991 186 E CA 2.265 58.669 56.400 0.006 0.000 0.799 186 E CB 0.080 29.836 29.700 0.093 0.000 0.748 186 E HN 0.578 nan 8.360 nan 0.000 0.449 187 T N -4.522 109.957 114.554 -0.124 0.000 3.015 187 T HA 0.311 4.661 4.350 -0.000 0.000 0.250 187 T C 1.448 176.094 174.700 -0.090 0.000 1.057 187 T CA 0.785 62.841 62.100 -0.074 0.000 1.066 187 T CB 0.877 69.716 68.868 -0.049 0.000 0.959 187 T HN 0.348 nan 8.240 nan 0.000 0.488 188 G N 1.306 110.013 108.800 -0.155 0.000 2.195 188 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.246 188 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.246 188 G C -0.118 174.728 174.900 -0.089 0.000 0.984 188 G CA 0.202 45.231 45.100 -0.119 0.000 0.633 188 G HN 0.840 nan 8.290 nan 0.000 0.525 189 E N 0.477 120.619 120.200 -0.097 0.000 2.414 189 E HA 0.382 4.732 4.350 -0.000 0.000 0.263 189 E C -0.056 176.553 176.600 0.015 0.000 1.000 189 E CA -0.109 56.279 56.400 -0.020 0.000 0.914 189 E CB 0.665 30.381 29.700 0.026 0.000 0.948 189 E HN 0.167 nan 8.360 nan 0.000 0.444 190 V N 5.078 125.046 119.914 0.089 0.000 2.459 190 V HA 0.388 4.508 4.120 -0.000 0.000 0.295 190 V C -0.217 175.995 176.094 0.197 0.000 1.029 190 V CA -0.630 61.762 62.300 0.154 0.000 0.874 190 V CB 1.733 33.623 31.823 0.112 0.000 0.985 190 V HN 0.478 nan 8.190 nan 0.000 0.438 191 V N 3.973 124.054 119.914 0.277 0.000 2.962 191 V HA 0.417 4.537 4.120 -0.000 0.000 0.313 191 V C -1.377 174.818 176.094 0.168 0.000 1.099 191 V CA -0.891 61.499 62.300 0.150 0.000 0.971 191 V CB 2.399 34.235 31.823 0.022 0.000 1.028 191 V HN 0.741 nan 8.190 nan 0.000 0.430 192 Y N 3.669 123.920 120.300 -0.082 0.000 2.367 192 Y HA 0.573 5.122 4.550 -0.001 0.000 0.342 192 Y C -0.850 174.951 175.900 -0.165 0.000 0.979 192 Y CA -1.898 56.179 58.100 -0.037 0.000 1.161 192 Y CB 0.750 39.200 38.460 -0.016 0.000 1.155 192 Y HN 0.471 nan 8.280 nan 0.000 0.503 193 F N 6.496 126.402 119.950 -0.074 0.000 2.368 193 F HA 0.308 4.835 4.527 0.000 0.000 0.362 193 F C 0.517 176.056 175.800 -0.435 0.000 1.137 193 F CA -0.454 57.389 58.000 -0.262 0.000 1.161 193 F CB 0.586 39.460 39.000 -0.210 0.000 1.265 193 F HN 0.355 nan 8.300 nan 0.000 0.530 194 K N 3.240 123.283 120.400 -0.595 0.000 2.297 194 K HA 0.747 5.067 4.320 -0.000 0.000 0.286 194 K C -0.803 175.742 176.600 -0.091 0.000 1.053 194 K CA -0.237 55.726 56.287 -0.541 0.000 0.940 194 K CB 0.705 32.840 32.500 -0.610 0.000 1.019 194 K HN 0.700 nan 8.250 nan 0.000 0.475 195 A N 4.004 126.833 122.820 0.015 0.000 2.572 195 A HA 0.385 4.705 4.320 -0.000 0.000 0.295 195 A C -0.149 177.477 177.584 0.071 0.000 1.072 195 A CA -0.815 51.260 52.037 0.064 0.000 0.691 195 A CB 1.589 20.632 19.000 0.072 0.000 1.291 195 A HN 0.920 nan 8.150 nan 0.000 0.404 196 R N -0.020 120.517 120.500 0.061 0.000 2.210 196 R HA 0.353 4.693 4.340 -0.000 0.000 0.203 196 R C 0.500 176.866 176.300 0.109 0.000 1.010 196 R CA 1.319 57.463 56.100 0.074 0.000 1.008 196 R CB 0.390 30.721 30.300 0.052 0.000 0.923 196 R HN 0.796 nan 8.270 nan 0.000 0.469 197 A N 0.416 123.268 122.820 0.053 0.000 2.357 197 A HA 0.446 4.766 4.320 -0.000 0.000 0.295 197 A C -0.920 176.676 177.584 0.020 0.000 1.121 197 A CA -0.552 51.503 52.037 0.030 0.000 0.742 197 A CB 1.440 20.206 19.000 -0.390 0.000 1.181 197 A HN -0.010 nan 8.150 nan 0.000 0.454 198 T N 2.435 117.083 114.554 0.156 0.000 2.756 198 T HA 0.471 4.821 4.350 -0.000 0.000 0.290 198 T C -0.303 174.478 174.700 0.135 0.000 0.985 198 T CA -0.204 61.951 62.100 0.093 0.000 0.955 198 T CB 0.796 69.724 68.868 0.100 0.000 0.930 198 T HN 0.438 nan 8.240 nan 0.000 0.451 199 V N 5.667 125.597 119.914 0.028 0.000 2.328 199 V HA 0.341 4.461 4.120 -0.000 0.000 0.278 199 V C 0.176 176.277 176.094 0.012 0.000 1.021 199 V CA -0.836 61.494 62.300 0.050 0.000 0.838 199 V CB 0.866 32.668 31.823 -0.035 0.000 0.999 199 V HN 0.780 nan 8.190 nan 0.000 0.447 200 L N 4.483 125.726 121.223 0.034 0.000 2.313 200 L HA 0.596 4.936 4.340 -0.000 0.000 0.282 200 L C 0.683 177.550 176.870 -0.005 0.000 1.092 200 L CA 0.097 54.935 54.840 -0.005 0.000 0.831 200 L CB 1.123 43.180 42.059 -0.004 0.000 1.159 200 L HN 0.787 nan 8.230 nan 0.000 0.442 201 A N 1.238 124.043 122.820 -0.025 0.000 3.292 201 A HA 0.242 4.562 4.320 -0.000 0.000 0.231 201 A C 0.714 178.283 177.584 -0.025 0.000 0.952 201 A CA -0.115 51.914 52.037 -0.014 0.000 1.044 201 A CB -0.038 18.954 19.000 -0.012 0.000 1.236 201 A HN 0.723 nan 8.150 nan 0.000 0.525 202 T N -3.176 111.358 114.554 -0.033 0.000 3.107 202 T HA 0.476 4.826 4.350 -0.000 0.000 0.249 202 T C 1.203 175.889 174.700 -0.024 0.000 1.096 202 T CA 1.041 63.117 62.100 -0.040 0.000 1.012 202 T CB -0.048 68.785 68.868 -0.057 0.000 0.977 202 T HN 2.156 nan 8.240 nan 0.000 0.527 203 G N 0.119 108.907 108.800 -0.019 0.000 2.660 203 G HA2 0.234 4.193 3.960 -0.000 0.000 0.215 203 G HA3 0.234 4.193 3.960 -0.000 0.000 0.215 203 G C 0.164 175.030 174.900 -0.057 0.000 1.345 203 G CA -0.472 44.619 45.100 -0.015 0.000 0.877 203 G HN 0.854 nan 8.290 nan 0.000 0.549 204 G N -1.801 106.954 108.800 -0.076 0.000 2.531 204 G HA2 0.725 4.684 3.960 -0.000 0.000 0.253 204 G HA3 0.725 4.684 3.960 -0.000 0.000 0.253 204 G C 0.645 175.538 174.900 -0.011 0.000 1.439 204 G CA 1.055 46.088 45.100 -0.113 0.000 1.056 204 G HN 2.249 nan 8.290 nan 0.000 0.555 205 A N -1.591 121.297 122.820 0.114 0.000 2.639 205 A HA 0.526 4.846 4.320 -0.000 0.000 0.221 205 A C 1.571 179.267 177.584 0.186 0.000 0.879 205 A CA 0.943 53.091 52.037 0.185 0.000 1.189 205 A CB -0.099 19.056 19.000 0.258 0.000 1.231 205 A HN 1.333 nan 8.150 nan 0.000 0.457 206 G N 0.598 109.461 108.800 0.105 0.000 2.532 206 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.222 206 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.222 206 G C 1.303 176.176 174.900 -0.045 0.000 1.102 206 G CA 0.780 45.868 45.100 -0.020 0.000 0.742 206 G HN 0.425 nan 8.290 nan 0.000 0.577 207 R N 0.487 120.964 120.500 -0.039 0.000 2.339 207 R HA 0.061 4.401 4.340 -0.000 0.000 0.199 207 R C 2.319 178.588 176.300 -0.052 0.000 1.018 207 R CA 0.463 56.542 56.100 -0.034 0.000 1.036 207 R CB -0.524 29.766 30.300 -0.017 0.000 0.899 207 R HN 0.772 nan 8.270 nan 0.000 0.473 208 I N -3.302 117.204 120.570 -0.107 0.000 3.176 208 I HA -0.030 4.140 4.170 -0.000 0.000 0.275 208 I C 0.099 175.985 176.117 -0.385 0.000 1.298 208 I CA 0.525 61.684 61.300 -0.235 0.000 1.445 208 I CB -0.170 37.641 38.000 -0.315 0.000 1.075 208 I HN -0.196 nan 8.210 nan 0.000 0.482 209 Y N 0.835 121.009 120.300 -0.210 0.000 2.519 209 Y HA 0.293 4.843 4.550 -0.000 0.000 0.324 209 Y C 1.518 177.379 175.900 -0.066 0.000 1.214 209 Y CA -0.383 57.634 58.100 -0.138 0.000 1.260 209 Y CB 0.942 39.302 38.460 -0.166 0.000 1.311 209 Y HN -0.131 nan 8.280 nan 0.000 0.505 210 Q N 0.080 119.972 119.800 0.154 0.000 2.269 210 Q HA 0.040 4.380 4.340 -0.000 0.000 0.201 210 Q C -0.223 175.837 176.000 0.099 0.000 0.946 210 Q CA 0.512 56.372 55.803 0.094 0.000 0.877 210 Q CB 0.424 29.217 28.738 0.092 0.000 0.963 210 Q HN 0.457 nan 8.270 nan 0.000 0.472 211 S N -0.390 115.390 115.700 0.133 0.000 2.672 211 S HA 0.484 4.954 4.470 -0.000 0.000 0.291 211 S C -1.171 173.459 174.600 0.051 0.000 1.145 211 S CA -0.504 57.746 58.200 0.084 0.000 1.013 211 S CB 1.829 65.090 63.200 0.102 0.000 1.017 211 S HN 0.157 nan 8.310 nan 0.000 0.487 212 T N 1.430 115.981 114.554 -0.004 0.000 2.894 212 T HA 0.463 4.812 4.350 -0.000 0.000 0.309 212 T C 1.153 175.828 174.700 -0.042 0.000 1.208 212 T CA 0.109 62.184 62.100 -0.041 0.000 1.016 212 T CB 1.422 70.248 68.868 -0.071 0.000 1.192 212 T HN 0.727 nan 8.240 nan 0.000 0.491 213 T N 0.748 115.306 114.554 0.007 0.000 3.085 213 T HA 0.163 4.513 4.350 -0.000 0.000 0.263 213 T C 0.674 175.383 174.700 0.014 0.000 1.127 213 T CA 0.221 62.348 62.100 0.045 0.000 1.103 213 T CB -0.625 68.368 68.868 0.208 0.000 0.921 213 T HN 0.613 nan 8.240 nan 0.000 0.510 214 N N 1.663 120.283 118.700 -0.133 0.000 2.508 214 N HA 0.450 5.190 4.740 -0.000 0.000 0.264 214 N C 0.254 175.564 175.510 -0.334 0.000 1.216 214 N CA -0.411 52.377 53.050 -0.437 0.000 0.943 214 N CB 0.593 38.841 38.487 -0.398 0.000 1.113 214 N HN 0.449 nan 8.380 nan 0.000 0.447 215 A N 1.371 123.968 122.820 -0.372 0.000 2.475 215 A HA -0.081 4.239 4.320 -0.000 0.000 0.239 215 A C 1.073 178.573 177.584 -0.140 0.000 1.087 215 A CA 0.024 51.992 52.037 -0.114 0.000 0.779 215 A CB 0.073 19.118 19.000 0.075 0.000 1.036 215 A HN 0.798 nan 8.150 nan 0.000 0.506 216 H N 0.929 119.993 119.070 -0.009 0.000 2.457 216 H HA -0.160 4.396 4.556 -0.000 0.000 0.297 216 H C 1.742 177.067 175.328 -0.005 0.000 1.092 216 H CA 2.215 58.259 56.048 -0.007 0.000 1.309 216 H CB -0.155 29.614 29.762 0.010 0.000 1.382 216 H HN 0.748 nan 8.280 nan 0.000 0.535 217 I N -1.163 119.474 120.570 0.112 0.000 3.564 217 I HA 0.019 4.189 4.170 -0.000 0.000 0.294 217 I C -0.201 175.938 176.117 0.037 0.000 1.289 217 I CA 0.176 61.526 61.300 0.084 0.000 1.325 217 I CB -0.140 37.915 38.000 0.092 0.000 1.039 217 I HN -0.179 nan 8.210 nan 0.000 0.474 218 N N 2.580 121.267 118.700 -0.021 0.000 2.605 218 N HA 0.101 4.841 4.740 -0.000 0.000 0.258 218 N C 0.739 176.247 175.510 -0.003 0.000 1.156 218 N CA 0.472 53.496 53.050 -0.044 0.000 1.008 218 N CB 0.496 38.896 38.487 -0.145 0.000 1.354 218 N HN 0.424 nan 8.380 nan 0.000 0.509 219 T N -2.678 111.893 114.554 0.027 0.000 3.200 219 T HA 0.269 4.619 4.350 -0.000 0.000 0.284 219 T C 1.106 175.837 174.700 0.051 0.000 1.009 219 T CA -0.113 62.013 62.100 0.043 0.000 0.907 219 T CB -0.081 68.823 68.868 0.060 0.000 1.120 219 T HN 0.392 nan 8.240 nan 0.000 0.534 220 G N 2.185 111.011 108.800 0.043 0.000 2.283 220 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.280 220 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.280 220 G C 0.465 175.382 174.900 0.029 0.000 1.029 220 G CA 0.375 45.498 45.100 0.039 0.000 0.840 220 G HN 0.511 nan 8.290 nan 0.000 0.505 221 D N -0.025 120.387 120.400 0.020 0.000 2.190 221 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 221 D C 2.393 178.682 176.300 -0.018 0.000 0.992 221 D CA 1.714 55.717 54.000 0.005 0.000 0.854 221 D CB -0.591 40.177 40.800 -0.054 0.000 0.936 221 D HN 0.584 nan 8.370 nan 0.000 0.462 222 G N 0.283 109.067 108.800 -0.026 0.000 2.403 222 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 222 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 222 G C 1.842 176.736 174.900 -0.010 0.000 1.154 222 G CA 0.452 45.536 45.100 -0.027 0.000 0.784 222 G HN 0.242 nan 8.290 nan 0.000 0.538 223 V N 1.552 121.465 119.914 -0.001 0.000 2.343 223 V HA -0.052 4.068 4.120 -0.000 0.000 0.247 223 V C 3.111 179.226 176.094 0.035 0.000 1.051 223 V CA 2.017 64.324 62.300 0.012 0.000 1.036 223 V CB -0.994 30.839 31.823 0.016 0.000 0.654 223 V HN 0.413 nan 8.190 nan 0.000 0.451 224 G N -0.799 108.025 108.800 0.040 0.000 2.404 224 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.215 224 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.215 224 G C 1.647 176.577 174.900 0.049 0.000 1.174 224 G CA 1.015 46.148 45.100 0.055 0.000 0.780 224 G HN 0.405 nan 8.290 nan 0.000 0.537 225 M N 0.764 120.382 119.600 0.031 0.000 2.117 225 M HA -0.013 4.467 4.480 -0.000 0.000 0.262 225 M C 3.036 179.350 176.300 0.023 0.000 1.065 225 M CA 1.442 56.757 55.300 0.024 0.000 1.114 225 M CB -0.206 32.396 32.600 0.002 0.000 1.361 225 M HN 0.326 nan 8.290 nan 0.000 0.408 226 A N 0.578 123.410 122.820 0.019 0.000 1.858 226 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 226 A C 2.058 179.660 177.584 0.030 0.000 1.190 226 A CA 1.494 53.540 52.037 0.015 0.000 0.617 226 A CB -0.921 18.083 19.000 0.007 0.000 0.827 226 A HN 0.435 nan 8.150 nan 0.000 0.443 227 I N -0.792 119.813 120.570 0.058 0.000 2.151 227 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 227 I C 2.739 178.889 176.117 0.056 0.000 1.080 227 I CA 1.585 62.938 61.300 0.088 0.000 1.339 227 I CB -0.287 37.809 38.000 0.158 0.000 1.039 227 I HN 0.284 nan 8.210 nan 0.000 0.409 228 R N 0.361 120.890 120.500 0.048 0.000 2.189 228 R HA -0.044 4.296 4.340 -0.000 0.000 0.223 228 R C 1.993 178.304 176.300 0.018 0.000 1.092 228 R CA 1.109 57.229 56.100 0.034 0.000 0.989 228 R CB -0.225 30.099 30.300 0.040 0.000 0.876 228 R HN 0.348 nan 8.270 nan 0.000 0.457 229 A N -0.180 122.649 122.820 0.015 0.000 2.251 229 A HA 0.240 4.560 4.320 -0.000 0.000 0.209 229 A C 1.329 178.908 177.584 -0.008 0.000 1.187 229 A CA 0.676 52.715 52.037 0.003 0.000 0.823 229 A CB 0.081 19.084 19.000 0.005 0.000 0.846 229 A HN 0.408 nan 8.150 nan 0.000 0.486 230 G N -1.510 107.284 108.800 -0.010 0.000 2.157 230 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.248 230 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.248 230 G C 0.145 175.022 174.900 -0.038 0.000 0.979 230 G CA 0.156 45.238 45.100 -0.029 0.000 0.650 230 G HN 0.770 nan 8.290 nan 0.000 0.529 231 V N 3.111 123.010 119.914 -0.025 0.000 2.461 231 V HA 0.461 4.581 4.120 -0.000 0.000 0.275 231 V C -1.059 175.021 176.094 -0.023 0.000 1.047 231 V CA -1.292 60.988 62.300 -0.033 0.000 0.955 231 V CB 1.449 33.254 31.823 -0.030 0.000 0.988 231 V HN 0.238 nan 8.190 nan 0.000 0.471 232 P HA 0.304 nan 4.420 nan 0.000 0.274 232 P C -0.746 176.560 177.300 0.010 0.000 1.237 232 P CA -0.045 63.040 63.100 -0.025 0.000 0.793 232 P CB 1.404 33.069 31.700 -0.058 0.000 0.977 233 V N -1.278 118.679 119.914 0.072 0.000 2.960 233 V HA 0.667 4.787 4.120 -0.000 0.000 0.315 233 V C -0.590 175.526 176.094 0.037 0.000 1.087 233 V CA -0.955 61.371 62.300 0.042 0.000 0.982 233 V CB 1.641 33.495 31.823 0.052 0.000 1.039 233 V HN 0.638 nan 8.190 nan 0.000 0.437 234 Q N 0.505 120.295 119.800 -0.016 0.000 2.394 234 Q HA 0.400 4.740 4.340 -0.000 0.000 0.273 234 Q C -0.744 175.249 176.000 -0.012 0.000 1.089 234 Q CA -0.395 55.401 55.803 -0.012 0.000 0.812 234 Q CB 1.836 30.528 28.738 -0.076 0.000 1.353 234 Q HN 0.954 nan 8.270 nan 0.000 0.438 235 D N 2.671 123.099 120.400 0.047 0.000 2.792 235 D HA -0.208 4.432 4.640 -0.000 0.000 0.231 235 D C 0.700 176.969 176.300 -0.051 0.000 1.160 235 D CA 0.742 54.765 54.000 0.038 0.000 0.697 235 D CB -0.220 40.630 40.800 0.083 0.000 1.070 235 D HN 0.640 nan 8.370 nan 0.000 0.426 236 M N -0.263 119.304 119.600 -0.055 0.000 2.446 236 M HA -0.135 4.344 4.480 -0.000 0.000 0.263 236 M C 2.051 178.329 176.300 -0.036 0.000 1.066 236 M CA 1.235 56.477 55.300 -0.096 0.000 1.087 236 M CB -0.426 32.132 32.600 -0.070 0.000 1.406 236 M HN 0.285 nan 8.290 nan 0.000 0.459 237 E N -0.736 119.459 120.200 -0.007 0.000 2.481 237 E HA -0.068 4.282 4.350 -0.000 0.000 0.195 237 E C 0.245 176.938 176.600 0.156 0.000 1.047 237 E CA 0.320 56.775 56.400 0.090 0.000 0.867 237 E CB -0.145 29.496 29.700 -0.099 0.000 0.858 237 E HN 0.273 nan 8.360 nan 0.000 0.513 238 M N 1.486 121.089 119.600 0.005 0.000 2.974 238 M HA 0.186 4.666 4.480 -0.000 0.000 0.301 238 M C -1.263 174.981 176.300 -0.092 0.000 1.409 238 M CA -0.152 55.163 55.300 0.025 0.000 1.515 238 M CB -1.421 31.178 32.600 -0.002 0.000 1.163 238 M HN 0.069 nan 8.290 nan 0.000 0.520 239 W N 1.849 123.213 121.300 0.107 0.000 2.335 239 W HA 0.386 5.046 4.660 -0.000 0.000 0.307 239 W C 0.654 177.181 176.519 0.013 0.000 1.117 239 W CA -0.457 56.891 57.345 0.005 0.000 1.228 239 W CB 0.766 30.199 29.460 -0.046 0.000 1.240 239 W HN 0.453 nan 8.180 nan 0.000 0.468 240 Q N 3.479 123.393 119.800 0.191 0.000 2.295 240 Q HA 0.250 4.590 4.340 -0.000 0.000 0.259 240 Q C -1.209 174.831 176.000 0.067 0.000 0.976 240 Q CA -0.164 55.758 55.803 0.198 0.000 0.923 240 Q CB 0.391 29.276 28.738 0.246 0.000 1.185 240 Q HN 0.404 nan 8.270 nan 0.000 0.410 241 F N 4.060 124.074 119.950 0.107 0.000 2.350 241 F HA 0.169 4.695 4.527 -0.000 0.000 0.365 241 F C 0.669 176.493 175.800 0.039 0.000 1.122 241 F CA -0.688 57.346 58.000 0.056 0.000 1.139 241 F CB 0.541 39.516 39.000 -0.042 0.000 1.220 241 F HN 0.588 nan 8.300 nan 0.000 0.499 242 H N 5.734 124.840 119.070 0.060 0.000 3.001 242 H HA 0.013 4.569 4.556 -0.000 0.000 0.334 242 H C -1.722 173.576 175.328 -0.049 0.000 1.034 242 H CA -1.030 54.944 56.048 -0.123 0.000 1.420 242 H CB 1.570 31.056 29.762 -0.459 0.000 1.405 242 H HN 0.330 nan 8.280 nan 0.000 0.593 243 P HA -0.063 nan 4.420 nan 0.000 0.219 243 P C 0.328 177.687 177.300 0.099 0.000 1.150 243 P CA 1.424 64.508 63.100 -0.027 0.000 0.814 243 P CB 0.203 31.818 31.700 -0.142 0.000 0.787 244 T N -2.823 111.893 114.554 0.270 0.000 3.390 244 T HA 0.620 4.970 4.350 -0.000 0.000 0.351 244 T C 0.460 175.189 174.700 0.048 0.000 1.759 244 T CA -0.858 61.325 62.100 0.139 0.000 1.561 244 T CB 0.029 68.946 68.868 0.083 0.000 1.011 244 T HN -0.036 nan 8.240 nan 0.000 0.689 245 G N 1.600 110.423 108.800 0.040 0.000 2.476 245 G HA2 0.598 4.558 3.960 -0.000 0.000 0.286 245 G HA3 0.598 4.558 3.960 -0.000 0.000 0.286 245 G C -0.096 174.797 174.900 -0.013 0.000 1.177 245 G CA -1.095 43.995 45.100 -0.015 0.000 0.870 245 G HN 0.764 nan 8.290 nan 0.000 0.528 246 I N 1.583 122.133 120.570 -0.033 0.000 2.517 246 I HA 0.188 4.358 4.170 -0.000 0.000 0.285 246 I C 1.226 177.350 176.117 0.012 0.000 1.106 246 I CA -0.218 61.065 61.300 -0.029 0.000 1.402 246 I CB 1.039 39.033 38.000 -0.011 0.000 1.399 246 I HN 0.510 nan 8.210 nan 0.000 0.535 247 A N 5.265 128.084 122.820 -0.001 0.000 2.545 247 A HA 0.394 4.714 4.320 -0.000 0.000 0.253 247 A C 1.288 178.974 177.584 0.171 0.000 1.074 247 A CA 0.605 52.692 52.037 0.082 0.000 0.760 247 A CB -0.401 18.643 19.000 0.074 0.000 1.005 247 A HN 1.234 nan 8.150 nan 0.000 0.506 248 G N 0.699 109.595 108.800 0.160 0.000 2.176 248 G HA2 0.077 4.037 3.960 -0.000 0.000 0.253 248 G HA3 0.077 4.037 3.960 -0.000 0.000 0.253 248 G C 0.709 175.692 174.900 0.139 0.000 0.979 248 G CA 1.002 46.204 45.100 0.171 0.000 0.641 248 G HN 2.121 nan 8.290 nan 0.000 0.530 249 A N -1.894 120.984 122.820 0.096 0.000 2.010 249 A HA 0.670 4.990 4.320 -0.000 0.000 0.193 249 A C 2.580 180.136 177.584 -0.047 0.000 1.659 249 A CA 1.858 53.916 52.037 0.035 0.000 1.175 249 A CB -0.216 18.811 19.000 0.045 0.000 1.301 249 A HN 2.265 nan 8.150 nan 0.000 0.448 250 G N -0.691 108.093 108.800 -0.026 0.000 2.267 250 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.257 250 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.257 250 G C 0.419 175.267 174.900 -0.088 0.000 0.998 250 G CA 0.257 45.334 45.100 -0.039 0.000 0.620 250 G HN 1.094 nan 8.290 nan 0.000 0.529 251 V N 2.314 122.124 119.914 -0.172 0.000 2.599 251 V HA 0.359 4.479 4.120 -0.000 0.000 0.300 251 V C 1.090 177.106 176.094 -0.130 0.000 1.034 251 V CA 0.357 62.525 62.300 -0.220 0.000 1.115 251 V CB 1.220 32.772 31.823 -0.452 0.000 0.934 251 V HN 0.632 nan 8.190 nan 0.000 0.485 252 L N 7.926 129.084 121.223 -0.109 0.000 2.416 252 L HA 0.459 4.798 4.340 -0.000 0.000 0.272 252 L C -0.018 176.777 176.870 -0.126 0.000 1.161 252 L CA 0.386 55.134 54.840 -0.152 0.000 0.845 252 L CB 1.213 43.167 42.059 -0.174 0.000 1.119 252 L HN 0.565 nan 8.230 nan 0.000 0.464 253 V N 1.871 121.702 119.914 -0.139 0.000 2.417 253 V HA 0.447 4.566 4.120 -0.000 0.000 0.291 253 V C 0.356 176.396 176.094 -0.091 0.000 1.024 253 V CA -0.461 61.788 62.300 -0.084 0.000 0.861 253 V CB 0.853 32.644 31.823 -0.053 0.000 0.985 253 V HN 0.920 nan 8.190 nan 0.000 0.436 254 T N 2.048 116.579 114.554 -0.037 0.000 2.946 254 T HA -0.015 4.335 4.350 -0.000 0.000 0.312 254 T C 1.074 175.780 174.700 0.010 0.000 1.066 254 T CA 1.091 63.206 62.100 0.026 0.000 1.138 254 T CB 0.424 69.362 68.868 0.117 0.000 1.014 254 T HN 1.110 nan 8.240 nan 0.000 0.544 255 E N 2.561 122.747 120.200 -0.022 0.000 2.333 255 E HA -0.110 4.240 4.350 -0.000 0.000 0.200 255 E C 2.015 178.342 176.600 -0.455 0.000 1.010 255 E CA 1.147 57.327 56.400 -0.367 0.000 0.841 255 E CB -0.699 28.524 29.700 -0.794 0.000 0.757 255 E HN 0.936 nan 8.360 nan 0.000 0.508 256 G N 0.343 109.082 108.800 -0.100 0.000 2.450 256 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.220 256 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.220 256 G C 1.598 176.518 174.900 0.033 0.000 1.130 256 G CA 0.929 46.108 45.100 0.132 0.000 0.760 256 G HN 0.410 nan 8.290 nan 0.000 0.557 257 C N 0.273 119.564 119.300 -0.015 0.000 2.413 257 C HA -0.031 4.429 4.460 -0.000 0.000 0.276 257 C C 2.972 177.937 174.990 -0.042 0.000 1.236 257 C CA 0.996 59.996 59.018 -0.031 0.000 1.735 257 C CB -0.829 26.882 27.740 -0.049 0.000 2.031 257 C HN 0.502 nan 8.230 nan 0.000 0.474 258 R N 0.579 121.034 120.500 -0.075 0.000 2.093 258 R HA 0.014 4.354 4.340 -0.000 0.000 0.224 258 R C 2.537 178.817 176.300 -0.034 0.000 1.101 258 R CA 1.324 57.390 56.100 -0.057 0.000 0.979 258 R CB -0.762 29.477 30.300 -0.101 0.000 0.877 258 R HN 0.596 nan 8.270 nan 0.000 0.441 259 G N 1.767 110.530 108.800 -0.062 0.000 2.442 259 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 259 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 259 G C 1.202 176.149 174.900 0.078 0.000 1.141 259 G CA 0.517 45.633 45.100 0.026 0.000 0.763 259 G HN 0.228 nan 8.290 nan 0.000 0.554 260 E N 0.164 120.410 120.200 0.076 0.000 2.502 260 E HA 0.163 4.513 4.350 -0.000 0.000 0.194 260 E C 1.768 178.410 176.600 0.071 0.000 1.062 260 E CA 0.653 57.105 56.400 0.087 0.000 0.867 260 E CB 0.277 30.022 29.700 0.076 0.000 0.888 260 E HN 0.513 nan 8.360 nan 0.000 0.510 261 G N 0.656 109.505 108.800 0.082 0.000 2.227 261 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.168 261 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.168 261 G C 0.626 175.672 174.900 0.243 0.000 1.006 261 G CA -0.295 44.900 45.100 0.157 0.000 0.684 261 G HN 0.449 nan 8.290 nan 0.000 0.489 262 G N -0.029 108.821 108.800 0.083 0.000 2.569 262 G HA2 0.688 4.648 3.960 -0.000 0.000 0.249 262 G HA3 0.688 4.648 3.960 -0.000 0.000 0.249 262 G C -0.268 174.689 174.900 0.095 0.000 1.216 262 G CA 0.315 45.424 45.100 0.014 0.000 0.845 262 G HN 1.406 nan 8.290 nan 0.000 0.568 263 Y N -1.764 118.570 120.300 0.058 0.000 2.625 263 Y HA 0.689 5.239 4.550 -0.000 0.000 0.338 263 Y C -0.922 174.935 175.900 -0.071 0.000 1.123 263 Y CA -1.778 56.297 58.100 -0.042 0.000 1.046 263 Y CB 1.105 39.525 38.460 -0.067 0.000 1.299 263 Y HN 0.423 nan 8.280 nan 0.000 0.464 264 L N 2.977 124.232 121.223 0.053 0.000 2.307 264 L HA 0.610 4.950 4.340 -0.000 0.000 0.282 264 L C -0.639 176.223 176.870 -0.015 0.000 1.051 264 L CA -0.621 54.186 54.840 -0.055 0.000 0.804 264 L CB 1.289 43.215 42.059 -0.221 0.000 1.197 264 L HN 0.566 nan 8.230 nan 0.000 0.431 265 L N 2.529 123.846 121.223 0.156 0.000 2.354 265 L HA 0.517 4.857 4.340 -0.000 0.000 0.269 265 L C -0.388 176.710 176.870 0.380 0.000 1.005 265 L CA -0.921 54.074 54.840 0.259 0.000 0.819 265 L CB 2.048 44.224 42.059 0.194 0.000 1.311 265 L HN 0.671 nan 8.230 nan 0.000 0.423 266 N N 0.892 119.828 118.700 0.393 0.000 2.538 266 N HA 0.168 4.907 4.740 -0.000 0.000 0.292 266 N C 0.489 176.027 175.510 0.046 0.000 1.262 266 N CA -0.853 52.305 53.050 0.180 0.000 0.976 266 N CB 0.408 38.944 38.487 0.081 0.000 1.161 266 N HN 0.598 nan 8.380 nan 0.000 0.598 267 K N -0.828 119.509 120.400 -0.103 0.000 2.286 267 K HA -0.223 4.097 4.320 -0.000 0.000 0.203 267 K C 0.308 176.785 176.600 -0.204 0.000 1.045 267 K CA 1.659 57.829 56.287 -0.195 0.000 0.935 267 K CB -0.569 31.743 32.500 -0.313 0.000 0.737 267 K HN 0.651 nan 8.250 nan 0.000 0.460 268 H N -0.629 118.472 119.070 0.052 0.000 2.551 268 H HA 0.218 4.774 4.556 -0.000 0.000 0.271 268 H C 0.836 176.205 175.328 0.069 0.000 0.984 268 H CA 0.174 56.253 56.048 0.052 0.000 1.164 268 H CB 0.992 30.780 29.762 0.042 0.000 1.437 268 H HN 0.543 nan 8.280 nan 0.000 0.550 269 G N 1.211 110.112 108.800 0.169 0.000 2.153 269 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.252 269 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.252 269 G C 0.071 175.070 174.900 0.165 0.000 0.994 269 G CA 0.263 45.456 45.100 0.155 0.000 0.698 269 G HN 0.545 nan 8.290 nan 0.000 0.521 270 E N 0.085 120.408 120.200 0.206 0.000 2.316 270 E HA 0.300 4.650 4.350 -0.000 0.000 0.275 270 E C 0.822 177.544 176.600 0.203 0.000 1.029 270 E CA -0.776 55.736 56.400 0.187 0.000 0.871 270 E CB 0.305 30.133 29.700 0.213 0.000 1.022 270 E HN 0.344 nan 8.360 nan 0.000 0.418 271 R N 5.536 126.075 120.500 0.066 0.000 3.268 271 R HA 0.031 4.371 4.340 -0.000 0.000 0.217 271 R C 0.625 176.891 176.300 -0.057 0.000 1.568 271 R CA -0.127 55.938 56.100 -0.058 0.000 1.322 271 R CB -0.583 29.579 30.300 -0.230 0.000 1.280 271 R HN 0.559 nan 8.270 nan 0.000 0.667 272 F N 1.086 121.099 119.950 0.106 0.000 2.408 272 F HA -0.082 4.445 4.527 -0.000 0.000 0.300 272 F C 1.174 177.112 175.800 0.230 0.000 1.090 272 F CA 0.229 58.325 58.000 0.160 0.000 1.427 272 F CB -0.209 38.943 39.000 0.253 0.000 1.070 272 F HN 0.267 nan 8.300 nan 0.000 0.549 273 M N 1.078 120.548 119.600 -0.217 0.000 2.460 273 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 273 M C 1.771 178.103 176.300 0.054 0.000 1.071 273 M CA 0.998 56.288 55.300 -0.016 0.000 1.096 273 M CB -1.207 31.288 32.600 -0.176 0.000 1.408 273 M HN 0.414 nan 8.290 nan 0.000 0.463 274 E N -0.627 119.575 120.200 0.004 0.000 2.208 274 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 274 E C 2.144 178.758 176.600 0.024 0.000 0.988 274 E CA 0.600 56.999 56.400 -0.002 0.000 0.828 274 E CB -0.001 29.672 29.700 -0.044 0.000 0.763 274 E HN 0.440 nan 8.360 nan 0.000 0.478 275 R N -0.242 120.280 120.500 0.037 0.000 2.075 275 R HA -0.076 4.264 4.340 -0.000 0.000 0.226 275 R C 1.508 177.773 176.300 -0.057 0.000 1.114 275 R CA 1.026 57.095 56.100 -0.052 0.000 0.972 275 R CB 0.079 30.289 30.300 -0.150 0.000 0.869 275 R HN 0.184 nan 8.270 nan 0.000 0.437 276 Y N -1.099 119.268 120.300 0.112 0.000 2.475 276 Y HA 0.254 4.804 4.550 -0.000 0.000 0.289 276 Y C 0.460 176.420 175.900 0.100 0.000 1.121 276 Y CA 0.568 58.739 58.100 0.119 0.000 1.257 276 Y CB 0.719 39.279 38.460 0.166 0.000 1.026 276 Y HN 0.066 nan 8.280 nan 0.000 0.555 277 A N -0.634 122.318 122.820 0.220 0.000 3.005 277 A HA 0.416 4.736 4.320 -0.000 0.000 0.308 277 A C -2.314 175.333 177.584 0.105 0.000 1.173 277 A CA -0.989 51.151 52.037 0.171 0.000 0.796 277 A CB 0.320 19.422 19.000 0.171 0.000 1.325 277 A HN -0.047 nan 8.150 nan 0.000 0.467 278 P HA -0.130 nan 4.420 nan 0.000 0.218 278 P C 1.178 178.498 177.300 0.033 0.000 1.148 278 P CA 1.387 64.511 63.100 0.039 0.000 0.822 278 P CB 0.377 32.093 31.700 0.027 0.000 0.784 279 N N -0.483 118.250 118.700 0.054 0.000 2.085 279 N HA -0.037 4.702 4.740 -0.000 0.000 0.191 279 N C 1.670 177.212 175.510 0.053 0.000 1.058 279 N CA 1.603 54.683 53.050 0.050 0.000 0.849 279 N CB -1.055 37.471 38.487 0.065 0.000 1.038 279 N HN -0.078 nan 8.380 nan 0.000 0.434 280 A N 0.084 122.962 122.820 0.097 0.000 2.169 280 A HA 0.066 4.385 4.320 -0.000 0.000 0.212 280 A C 0.861 178.456 177.584 0.018 0.000 1.153 280 A CA 0.526 52.608 52.037 0.075 0.000 0.756 280 A CB -0.290 18.796 19.000 0.143 0.000 0.813 280 A HN 0.335 nan 8.150 nan 0.000 0.471 281 K N -1.283 119.130 120.400 0.021 0.000 1.673 281 K HA -0.309 4.011 4.320 -0.000 0.000 0.127 281 K C 0.447 177.017 176.600 -0.049 0.000 1.035 281 K CA 2.139 58.418 56.287 -0.014 0.000 0.314 281 K CB -1.297 31.179 32.500 -0.040 0.000 0.670 281 K HN 0.408 nan 8.250 nan 0.000 0.842 282 D N 0.849 121.208 120.400 -0.068 0.000 2.363 282 D HA 0.058 4.698 4.640 -0.000 0.000 0.220 282 D C 0.795 177.023 176.300 -0.119 0.000 0.994 282 D CA 0.706 54.649 54.000 -0.095 0.000 0.890 282 D CB 0.060 40.824 40.800 -0.060 0.000 0.906 282 D HN 0.195 nan 8.370 nan 0.000 0.530 283 L N 0.324 121.486 121.223 -0.102 0.000 2.984 283 L HA 0.417 4.757 4.340 -0.000 0.000 0.246 283 L C 0.709 177.479 176.870 -0.168 0.000 1.268 283 L CA -0.634 54.129 54.840 -0.127 0.000 1.054 283 L CB 0.036 42.055 42.059 -0.067 0.000 1.393 283 L HN -0.040 nan 8.230 nan 0.000 0.532 284 A N 0.021 122.704 122.820 -0.228 0.000 2.310 284 A HA 0.562 4.882 4.320 -0.000 0.000 0.260 284 A C 0.897 178.068 177.584 -0.689 0.000 1.112 284 A CA 0.241 51.981 52.037 -0.495 0.000 0.804 284 A CB 0.027 18.838 19.000 -0.314 0.000 1.081 284 A HN 0.299 nan 8.150 nan 0.000 0.499 285 G N -1.127 106.907 108.800 -1.276 0.000 2.614 285 G HA2 0.310 4.270 3.960 -0.000 0.000 0.239 285 G HA3 0.310 4.270 3.960 -0.000 0.000 0.239 285 G C 0.697 175.382 174.900 -0.358 0.000 1.240 285 G CA -0.241 44.455 45.100 -0.673 0.000 0.842 285 G HN 0.786 nan 8.290 nan 0.000 0.584 286 R N 0.031 120.389 120.500 -0.237 0.000 2.081 286 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 286 R C 2.400 178.623 176.300 -0.127 0.000 1.131 286 R CA 1.697 57.674 56.100 -0.205 0.000 0.960 286 R CB -0.092 30.084 30.300 -0.207 0.000 0.856 286 R HN 0.804 nan 8.270 nan 0.000 0.436 287 D N 0.389 120.747 120.400 -0.070 0.000 2.104 287 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 287 D C 1.821 178.079 176.300 -0.070 0.000 0.994 287 D CA 1.249 55.226 54.000 -0.037 0.000 0.830 287 D CB -0.605 40.203 40.800 0.013 0.000 0.959 287 D HN 0.088 nan 8.370 nan 0.000 0.452 288 V N 0.975 120.857 119.914 -0.054 0.000 2.295 288 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 288 V C 2.983 179.025 176.094 -0.086 0.000 1.049 288 V CA 1.321 63.603 62.300 -0.031 0.000 1.024 288 V CB -0.400 31.451 31.823 0.047 0.000 0.648 288 V HN 0.109 nan 8.190 nan 0.000 0.447 289 V N 0.324 120.165 119.914 -0.121 0.000 2.343 289 V HA -0.254 3.865 4.120 -0.000 0.000 0.247 289 V C 2.710 178.748 176.094 -0.094 0.000 1.051 289 V CA 1.974 64.208 62.300 -0.110 0.000 1.036 289 V CB -1.188 30.546 31.823 -0.149 0.000 0.654 289 V HN 0.555 nan 8.190 nan 0.000 0.451 290 A N -0.034 122.718 122.820 -0.112 0.000 1.883 290 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 290 A C 2.399 179.883 177.584 -0.166 0.000 1.186 290 A CA 2.024 53.995 52.037 -0.110 0.000 0.624 290 A CB -0.542 18.402 19.000 -0.093 0.000 0.822 290 A HN 0.485 nan 8.150 nan 0.000 0.444 291 R N -0.345 120.025 120.500 -0.216 0.000 2.096 291 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 291 R C 2.563 178.782 176.300 -0.135 0.000 1.127 291 R CA 1.479 57.435 56.100 -0.240 0.000 0.968 291 R CB -0.344 29.832 30.300 -0.207 0.000 0.861 291 R HN 0.546 nan 8.270 nan 0.000 0.440 292 S N 1.043 116.580 115.700 -0.272 0.000 2.359 292 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 292 S C 1.964 176.332 174.600 -0.388 0.000 1.035 292 S CA 1.152 58.961 58.200 -0.652 0.000 1.018 292 S CB -0.189 62.593 63.200 -0.696 0.000 0.876 292 S HN 0.231 nan 8.310 nan 0.000 0.448 293 I N 1.198 121.698 120.570 -0.117 0.000 2.226 293 I HA -0.190 3.979 4.170 -0.000 0.000 0.245 293 I C 2.229 178.277 176.117 -0.116 0.000 1.100 293 I CA 0.992 62.242 61.300 -0.083 0.000 1.374 293 I CB -0.285 37.754 38.000 0.065 0.000 1.057 293 I HN 0.283 nan 8.210 nan 0.000 0.413 294 M N -0.177 119.396 119.600 -0.046 0.000 2.319 294 M HA -0.082 4.398 4.480 -0.000 0.000 0.265 294 M C 2.301 178.663 176.300 0.103 0.000 1.068 294 M CA 1.594 56.924 55.300 0.051 0.000 1.118 294 M CB -0.814 31.846 32.600 0.099 0.000 1.395 294 M HN 0.216 nan 8.290 nan 0.000 0.435 295 I N -0.233 120.384 120.570 0.079 0.000 2.193 295 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 295 I C 2.375 178.480 176.117 -0.020 0.000 1.084 295 I CA 0.831 62.169 61.300 0.063 0.000 1.365 295 I CB -0.334 37.739 38.000 0.122 0.000 1.064 295 I HN 0.187 nan 8.210 nan 0.000 0.410 296 E N 0.920 121.041 120.200 -0.132 0.000 2.108 296 E HA -0.259 4.091 4.350 -0.000 0.000 0.203 296 E C 2.222 178.739 176.600 -0.138 0.000 1.022 296 E CA 1.687 57.959 56.400 -0.214 0.000 0.823 296 E CB -0.452 28.903 29.700 -0.575 0.000 0.744 296 E HN 0.523 nan 8.360 nan 0.000 0.456 297 I N 0.444 120.946 120.570 -0.113 0.000 2.142 297 I HA -0.274 3.896 4.170 -0.000 0.000 0.240 297 I C 2.584 178.675 176.117 -0.044 0.000 1.078 297 I CA 1.160 62.418 61.300 -0.071 0.000 1.343 297 I CB -0.253 37.724 38.000 -0.039 0.000 1.046 297 I HN 0.014 nan 8.210 nan 0.000 0.405 298 R N 0.686 121.171 120.500 -0.025 0.000 2.139 298 R HA -0.186 4.153 4.340 -0.000 0.000 0.243 298 R C 1.456 177.731 176.300 -0.043 0.000 1.145 298 R CA 1.295 57.377 56.100 -0.031 0.000 0.976 298 R CB -0.291 29.988 30.300 -0.036 0.000 0.866 298 R HN 0.471 nan 8.270 nan 0.000 0.449 299 E N -0.569 119.609 120.200 -0.037 0.000 2.437 299 E HA 0.098 4.448 4.350 -0.000 0.000 0.189 299 E C 0.345 176.932 176.600 -0.022 0.000 1.054 299 E CA 0.176 56.558 56.400 -0.030 0.000 0.874 299 E CB 0.828 30.518 29.700 -0.017 0.000 1.011 299 E HN 0.483 nan 8.360 nan 0.000 0.474 300 G N 2.089 110.868 108.800 -0.034 0.000 2.182 300 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.248 300 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.248 300 G C 0.643 175.518 174.900 -0.041 0.000 1.042 300 G CA 0.123 45.203 45.100 -0.033 0.000 0.775 300 G HN 0.284 nan 8.290 nan 0.000 0.501 301 R N -0.342 120.120 120.500 -0.062 0.000 2.476 301 R HA 0.291 4.631 4.340 -0.000 0.000 0.276 301 R C 1.587 177.795 176.300 -0.154 0.000 0.941 301 R CA 0.234 56.277 56.100 -0.096 0.000 1.088 301 R CB 0.769 31.062 30.300 -0.012 0.000 1.216 301 R HN 0.394 nan 8.270 nan 0.000 0.533 302 G N 0.445 109.159 108.800 -0.144 0.000 2.599 302 G HA2 0.284 4.244 3.960 -0.000 0.000 0.264 302 G HA3 0.284 4.244 3.960 -0.000 0.000 0.264 302 G C 0.037 174.813 174.900 -0.206 0.000 1.200 302 G CA -0.462 44.536 45.100 -0.170 0.000 0.896 302 G HN 0.136 nan 8.290 nan 0.000 0.536 303 C N -0.525 118.572 119.300 -0.339 0.000 2.354 303 C HA 0.768 5.228 4.460 -0.000 0.000 0.381 303 C C 0.096 174.892 174.990 -0.323 0.000 1.240 303 C CA -0.606 58.195 59.018 -0.362 0.000 2.089 303 C CB 1.657 29.123 27.740 -0.457 0.000 2.234 303 C HN 0.761 nan 8.230 nan 0.000 0.544 304 D N -1.946 118.435 120.400 -0.032 0.000 2.732 304 D HA 0.739 5.379 4.640 -0.000 0.000 0.292 304 D C 0.069 176.610 176.300 0.402 0.000 1.135 304 D CA 0.800 54.909 54.000 0.182 0.000 1.071 304 D CB 2.152 43.008 40.800 0.093 0.000 1.457 304 D HN 1.067 nan 8.370 nan 0.000 0.547 305 G N -0.434 108.545 108.800 0.298 0.000 2.320 305 G HA2 0.008 3.968 3.960 -0.000 0.000 0.274 305 G HA3 0.008 3.968 3.960 -0.000 0.000 0.274 305 G C -2.227 172.640 174.900 -0.055 0.000 1.324 305 G CA -0.218 44.967 45.100 0.141 0.000 0.957 305 G HN 0.366 nan 8.290 nan 0.000 0.481 306 P HA -0.051 nan 4.420 nan 0.000 0.216 306 P C 1.394 178.511 177.300 -0.305 0.000 1.150 306 P CA 1.887 64.688 63.100 -0.499 0.000 0.843 306 P CB -0.024 31.152 31.700 -0.873 0.000 0.787 307 W N -0.396 120.932 121.300 0.047 0.000 2.800 307 W HA 0.310 4.970 4.660 -0.000 0.000 0.249 307 W C 1.053 177.619 176.519 0.079 0.000 1.294 307 W CA 0.828 58.191 57.345 0.030 0.000 1.402 307 W CB -0.976 28.431 29.460 -0.088 0.000 1.126 307 W HN 0.041 nan 8.180 nan 0.000 0.652 308 G N 0.562 109.561 108.800 0.331 0.000 2.757 308 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.638 308 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.638 308 G C -2.912 172.198 174.900 0.349 0.000 1.344 308 G CA -1.380 43.877 45.100 0.262 0.000 0.855 308 G HN -0.251 nan 8.290 nan 0.000 0.537 309 P HA 0.265 nan 4.420 nan 0.000 0.265 309 P C 0.047 177.474 177.300 0.213 0.000 1.187 309 P CA 1.039 64.225 63.100 0.143 0.000 0.766 309 P CB 0.355 32.099 31.700 0.074 0.000 0.820 310 H N 0.023 119.130 119.070 0.061 0.000 2.904 310 H HA 0.704 5.259 4.556 -0.000 0.000 0.290 310 H C -1.894 173.448 175.328 0.022 0.000 1.437 310 H CA -1.165 54.906 56.048 0.037 0.000 1.147 310 H CB 0.446 30.221 29.762 0.021 0.000 1.824 310 H HN 0.444 nan 8.280 nan 0.000 0.505 311 A N 1.139 124.045 122.820 0.144 0.000 2.322 311 A HA 0.568 4.888 4.320 -0.000 0.000 0.327 311 A C -0.506 177.218 177.584 0.233 0.000 1.134 311 A CA -1.006 51.110 52.037 0.131 0.000 0.831 311 A CB 1.275 20.405 19.000 0.217 0.000 1.288 311 A HN 0.497 nan 8.150 nan 0.000 0.472 312 K N 0.718 121.220 120.400 0.169 0.000 2.201 312 K HA 0.393 4.713 4.320 -0.000 0.000 0.278 312 K C -1.395 175.232 176.600 0.046 0.000 1.027 312 K CA -0.420 55.926 56.287 0.098 0.000 0.909 312 K CB 1.548 34.093 32.500 0.075 0.000 1.062 312 K HN 0.470 nan 8.250 nan 0.000 0.465 313 L N 3.221 124.431 121.223 -0.022 0.000 2.283 313 L HA 0.260 4.599 4.340 -0.000 0.000 0.281 313 L C -0.178 176.623 176.870 -0.114 0.000 1.033 313 L CA -0.127 54.676 54.840 -0.062 0.000 0.848 313 L CB 0.659 42.682 42.059 -0.060 0.000 1.226 313 L HN 0.441 nan 8.230 nan 0.000 0.429 314 K N 5.093 125.383 120.400 -0.183 0.000 2.276 314 K HA 0.354 4.674 4.320 -0.000 0.000 0.285 314 K C -0.151 176.308 176.600 -0.234 0.000 1.062 314 K CA -0.263 55.892 56.287 -0.220 0.000 0.918 314 K CB 0.653 32.962 32.500 -0.320 0.000 1.055 314 K HN 0.866 nan 8.250 nan 0.000 0.477 315 L N 3.205 124.310 121.223 -0.197 0.000 2.993 315 L HA 0.078 4.418 4.340 -0.000 0.000 0.264 315 L C 1.217 177.879 176.870 -0.346 0.000 1.154 315 L CA -0.001 54.654 54.840 -0.308 0.000 0.972 315 L CB 0.246 42.187 42.059 -0.197 0.000 1.373 315 L HN 0.711 nan 8.230 nan 0.000 0.564 316 D N -0.403 119.901 120.400 -0.160 0.000 2.221 316 D HA -0.290 4.350 4.640 -0.000 0.000 0.204 316 D C 1.932 178.185 176.300 -0.078 0.000 0.982 316 D CA 1.480 55.425 54.000 -0.092 0.000 0.857 316 D CB -0.364 40.425 40.800 -0.018 0.000 0.934 316 D HN 0.523 nan 8.370 nan 0.000 0.475 317 H N 0.554 119.596 119.070 -0.046 0.000 2.545 317 H HA 0.031 4.587 4.556 -0.000 0.000 0.282 317 H C 1.852 177.180 175.328 -0.001 0.000 1.020 317 H CA 0.473 56.515 56.048 -0.010 0.000 1.243 317 H CB -0.443 29.329 29.762 0.016 0.000 1.377 317 H HN 0.272 nan 8.280 nan 0.000 0.581 318 L N 0.591 121.571 121.223 -0.406 0.000 2.291 318 L HA 0.092 4.432 4.340 -0.000 0.000 0.214 318 L C 0.954 177.772 176.870 -0.088 0.000 1.120 318 L CA 0.719 55.428 54.840 -0.219 0.000 0.799 318 L CB -0.404 41.497 42.059 -0.263 0.000 0.925 318 L HN 0.582 nan 8.230 nan 0.000 0.446 319 G N 0.352 109.107 108.800 -0.075 0.000 2.719 319 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.686 319 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.686 319 G C 0.297 175.172 174.900 -0.042 0.000 1.201 319 G CA 0.026 45.103 45.100 -0.038 0.000 0.768 319 G HN 0.132 nan 8.290 nan 0.000 0.629 320 K N 0.319 120.702 120.400 -0.029 0.000 2.074 320 K HA -0.175 4.145 4.320 -0.000 0.000 0.209 320 K C 2.126 178.710 176.600 -0.027 0.000 1.048 320 K CA 2.186 58.457 56.287 -0.027 0.000 0.926 320 K CB -0.142 32.348 32.500 -0.018 0.000 0.713 320 K HN 0.677 nan 8.250 nan 0.000 0.444 321 E N 0.003 120.189 120.200 -0.024 0.000 2.051 321 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 321 E C 1.907 178.489 176.600 -0.030 0.000 0.991 321 E CA 1.261 57.647 56.400 -0.024 0.000 0.799 321 E CB 0.151 29.840 29.700 -0.019 0.000 0.748 321 E HN 0.164 nan 8.360 nan 0.000 0.449 322 V N 1.250 121.145 119.914 -0.031 0.000 2.427 322 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 322 V C 2.416 178.490 176.094 -0.035 0.000 1.051 322 V CA 1.204 63.484 62.300 -0.033 0.000 1.048 322 V CB -0.352 31.454 31.823 -0.027 0.000 0.666 322 V HN 0.316 nan 8.190 nan 0.000 0.456 323 L N -0.346 120.852 121.223 -0.041 0.000 2.012 323 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 323 L C 2.546 179.399 176.870 -0.029 0.000 1.073 323 L CA 1.894 56.710 54.840 -0.040 0.000 0.748 323 L CB -0.549 41.479 42.059 -0.051 0.000 0.891 323 L HN 0.351 nan 8.230 nan 0.000 0.431 324 E N -1.013 119.170 120.200 -0.029 0.000 2.208 324 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 324 E C 2.279 178.863 176.600 -0.027 0.000 0.988 324 E CA 1.161 57.545 56.400 -0.026 0.000 0.828 324 E CB 0.091 29.776 29.700 -0.024 0.000 0.763 324 E HN 0.355 nan 8.360 nan 0.000 0.478 325 S N 0.324 116.004 115.700 -0.034 0.000 2.404 325 S HA 0.000 4.470 4.470 -0.000 0.000 0.223 325 S C 1.808 176.381 174.600 -0.045 0.000 1.040 325 S CA 0.439 58.612 58.200 -0.045 0.000 0.957 325 S CB 0.201 63.366 63.200 -0.059 0.000 0.826 325 S HN 0.090 nan 8.310 nan 0.000 0.491 326 R N -0.270 120.210 120.500 -0.033 0.000 2.308 326 R HA 0.423 4.763 4.340 -0.000 0.000 0.202 326 R C 0.225 176.547 176.300 0.037 0.000 0.898 326 R CA 0.232 56.330 56.100 -0.002 0.000 1.046 326 R CB 0.330 30.638 30.300 0.013 0.000 1.026 326 R HN 0.347 nan 8.270 nan 0.000 0.512 327 L N 0.952 122.184 121.223 0.015 0.000 3.320 327 L HA 0.240 4.579 4.340 -0.000 0.000 0.331 327 L C -1.848 175.024 176.870 0.003 0.000 1.306 327 L CA -0.866 53.986 54.840 0.019 0.000 0.892 327 L CB 1.407 43.472 42.059 0.011 0.000 1.337 327 L HN -0.105 nan 8.230 nan 0.000 0.604 328 P HA -0.143 nan 4.420 nan 0.000 0.218 328 P C 1.590 178.884 177.300 -0.010 0.000 1.149 328 P CA 1.552 64.644 63.100 -0.012 0.000 0.817 328 P CB 0.307 31.996 31.700 -0.018 0.000 0.785 329 G N 1.185 109.983 108.800 -0.003 0.000 2.418 329 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 329 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 329 G C 1.527 176.433 174.900 0.011 0.000 1.158 329 G CA 1.071 46.171 45.100 0.001 0.000 0.771 329 G HN 0.415 nan 8.290 nan 0.000 0.545 330 I N -1.189 119.387 120.570 0.009 0.000 2.617 330 I HA 0.137 4.307 4.170 -0.000 0.000 0.256 330 I C 2.390 178.507 176.117 0.000 0.000 1.167 330 I CA 0.629 61.933 61.300 0.007 0.000 1.469 330 I CB -0.318 37.680 38.000 -0.004 0.000 1.098 330 I HN 0.040 nan 8.210 nan 0.000 0.436 331 L N 0.756 121.974 121.223 -0.008 0.000 2.013 331 L HA -0.219 4.120 4.340 -0.000 0.000 0.212 331 L C 2.689 179.553 176.870 -0.009 0.000 1.073 331 L CA 1.983 56.815 54.840 -0.014 0.000 0.753 331 L CB -0.881 41.167 42.059 -0.018 0.000 0.890 331 L HN 0.331 nan 8.230 nan 0.000 0.432 332 E N 0.173 120.370 120.200 -0.004 0.000 2.031 332 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 332 E C 2.353 178.961 176.600 0.013 0.000 0.994 332 E CA 1.102 57.497 56.400 -0.008 0.000 0.800 332 E CB -0.161 29.536 29.700 -0.006 0.000 0.752 332 E HN 0.372 nan 8.360 nan 0.000 0.447 333 L N 0.446 121.710 121.223 0.069 0.000 2.012 333 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 333 L C 2.663 179.628 176.870 0.158 0.000 1.073 333 L CA 1.186 56.137 54.840 0.184 0.000 0.748 333 L CB -0.510 41.642 42.059 0.155 0.000 0.891 333 L HN 0.151 nan 8.230 nan 0.000 0.431 334 S N -0.210 115.526 115.700 0.059 0.000 2.368 334 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 334 S C 2.134 176.732 174.600 -0.005 0.000 1.030 334 S CA 1.183 59.398 58.200 0.025 0.000 0.999 334 S CB -0.067 63.124 63.200 -0.014 0.000 0.844 334 S HN 0.314 nan 8.310 nan 0.000 0.459 335 R N -0.076 120.406 120.500 -0.029 0.000 2.096 335 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 335 R C 2.457 178.645 176.300 -0.186 0.000 1.127 335 R CA 1.929 57.994 56.100 -0.058 0.000 0.968 335 R CB -0.717 29.558 30.300 -0.041 0.000 0.861 335 R HN 0.390 nan 8.270 nan 0.000 0.440 336 T N -0.141 114.261 114.554 -0.253 0.000 2.851 336 T HA -0.013 4.337 4.350 -0.000 0.000 0.262 336 T C 1.005 175.264 174.700 -0.736 0.000 1.043 336 T CA 1.100 62.877 62.100 -0.538 0.000 1.140 336 T CB -0.025 68.414 68.868 -0.714 0.000 0.872 336 T HN 0.091 nan 8.240 nan 0.000 0.446 337 F N 0.024 119.871 119.950 -0.172 0.000 2.704 337 F HA 0.564 5.091 4.527 -0.000 0.000 0.304 337 F C 1.878 177.657 175.800 -0.035 0.000 1.094 337 F CA -0.395 57.541 58.000 -0.106 0.000 1.275 337 F CB 0.285 39.264 39.000 -0.034 0.000 1.073 337 F HN 0.118 nan 8.300 nan 0.000 0.586 338 A N -2.142 120.735 122.820 0.095 0.000 2.498 338 A HA 0.231 4.550 4.320 -0.000 0.000 0.238 338 A C 0.349 178.171 177.584 0.397 0.000 1.225 338 A CA -0.011 52.196 52.037 0.284 0.000 0.978 338 A CB -0.368 18.690 19.000 0.095 0.000 1.142 338 A HN 0.337 nan 8.150 nan 0.000 0.552 339 H N -0.850 118.332 119.070 0.187 0.000 2.713 339 H HA -0.142 4.414 4.556 -0.000 0.000 0.311 339 H C -0.698 174.728 175.328 0.163 0.000 1.175 339 H CA 1.079 57.210 56.048 0.137 0.000 1.143 339 H CB -2.022 27.812 29.762 0.120 0.000 1.434 339 H HN 0.254 nan 8.280 nan 0.000 0.418 340 V N 0.996 121.012 119.914 0.171 0.000 2.638 340 V HA 0.141 4.261 4.120 -0.000 0.000 0.306 340 V C 0.139 176.256 176.094 0.039 0.000 1.052 340 V CA -0.844 61.521 62.300 0.109 0.000 0.885 340 V CB 2.635 34.475 31.823 0.027 0.000 0.999 340 V HN 0.219 nan 8.190 nan 0.000 0.424 341 D N 6.108 126.529 120.400 0.033 0.000 2.380 341 D HA 0.380 5.020 4.640 -0.000 0.000 0.230 341 D C -1.783 174.510 176.300 -0.013 0.000 1.154 341 D CA -2.105 51.900 54.000 0.009 0.000 0.859 341 D CB 2.136 42.946 40.800 0.016 0.000 1.045 341 D HN 0.173 nan 8.370 nan 0.000 0.495 342 P HA -0.098 nan 4.420 nan 0.000 0.228 342 P C 1.297 178.566 177.300 -0.052 0.000 1.151 342 P CA 0.376 63.446 63.100 -0.050 0.000 0.770 342 P CB 0.379 32.046 31.700 -0.056 0.000 0.786 343 V N 0.044 119.936 119.914 -0.037 0.000 2.626 343 V HA -0.162 3.958 4.120 -0.000 0.000 0.252 343 V C 1.817 177.897 176.094 -0.023 0.000 1.067 343 V CA 1.726 64.005 62.300 -0.035 0.000 1.081 343 V CB -0.843 30.966 31.823 -0.023 0.000 0.686 343 V HN 0.272 nan 8.190 nan 0.000 0.468 344 K N -1.126 119.267 120.400 -0.012 0.000 2.464 344 K HA 0.300 4.620 4.320 -0.000 0.000 0.206 344 K C 0.001 176.604 176.600 0.005 0.000 1.186 344 K CA 0.033 56.321 56.287 0.002 0.000 0.990 344 K CB 1.115 33.622 32.500 0.013 0.000 1.003 344 K HN 0.310 nan 8.250 nan 0.000 0.562 345 E N 1.043 121.239 120.200 -0.008 0.000 2.383 345 E HA 0.358 4.708 4.350 -0.000 0.000 0.275 345 E C -2.917 173.654 176.600 -0.048 0.000 0.918 345 E CA -2.414 53.979 56.400 -0.012 0.000 0.764 345 E CB 2.013 31.718 29.700 0.008 0.000 1.252 345 E HN -0.202 nan 8.360 nan 0.000 0.449 346 P HA 0.219 nan 4.420 nan 0.000 0.271 346 P C -0.163 177.046 177.300 -0.153 0.000 1.218 346 P CA -0.046 63.000 63.100 -0.090 0.000 0.780 346 P CB 0.476 32.141 31.700 -0.059 0.000 0.901 347 I N 4.369 124.843 120.570 -0.159 0.000 2.371 347 I HA 0.210 4.379 4.170 -0.000 0.000 0.290 347 I C -1.874 174.066 176.117 -0.295 0.000 1.028 347 I CA -2.476 58.689 61.300 -0.225 0.000 1.345 347 I CB 1.006 38.917 38.000 -0.148 0.000 1.407 347 I HN 0.146 nan 8.210 nan 0.000 0.501 348 P HA 0.086 nan 4.420 nan 0.000 0.269 348 P C -0.622 176.484 177.300 -0.324 0.000 1.252 348 P CA 0.065 62.734 63.100 -0.719 0.000 0.780 348 P CB 0.687 31.390 31.700 -1.662 0.000 0.829 349 V N 2.683 122.554 119.914 -0.072 0.000 3.001 349 V HA 0.770 4.889 4.120 -0.000 0.000 0.314 349 V C -0.532 175.611 176.094 0.083 0.000 1.099 349 V CA -1.221 61.078 62.300 -0.001 0.000 0.989 349 V CB 2.627 34.453 31.823 0.006 0.000 1.040 349 V HN 0.478 nan 8.190 nan 0.000 0.434 350 I N 1.715 122.330 120.570 0.075 0.000 2.842 350 I HA 0.585 4.755 4.170 -0.000 0.000 0.297 350 I C -2.890 173.279 176.117 0.086 0.000 1.380 350 I CA -2.256 59.097 61.300 0.089 0.000 1.018 350 I CB 3.216 41.279 38.000 0.105 0.000 1.311 350 I HN 0.551 nan 8.210 nan 0.000 0.439 351 P HA 0.131 nan 4.420 nan 0.000 0.264 351 P C -1.432 175.973 177.300 0.175 0.000 1.183 351 P CA 0.325 63.489 63.100 0.107 0.000 0.763 351 P CB 0.434 32.155 31.700 0.035 0.000 0.807 352 T N 2.095 116.790 114.554 0.234 0.000 2.952 352 T HA 0.170 4.520 4.350 -0.000 0.000 0.305 352 T C -0.618 174.167 174.700 0.142 0.000 1.064 352 T CA -0.382 61.845 62.100 0.211 0.000 1.008 352 T CB 0.903 69.834 68.868 0.105 0.000 1.078 352 T HN 0.431 nan 8.240 nan 0.000 0.459 353 C N 3.571 122.821 119.300 -0.082 0.000 2.517 353 C HA 0.150 4.610 4.460 -0.000 0.000 0.403 353 C C 1.440 176.319 174.990 -0.185 0.000 1.467 353 C CA 0.959 59.570 59.018 -0.678 0.000 1.542 353 C CB -1.417 25.724 27.740 -0.999 0.000 2.482 353 C HN 1.143 nan 8.230 nan 0.000 0.610 354 H N 2.499 121.455 119.070 -0.190 0.000 2.348 354 H HA 0.293 4.849 4.556 -0.000 0.000 0.233 354 H C -0.697 174.751 175.328 0.200 0.000 0.889 354 H CA 0.662 56.742 56.048 0.054 0.000 1.034 354 H CB 0.332 30.185 29.762 0.152 0.000 1.393 354 H HN 0.755 nan 8.280 nan 0.000 0.422 355 Y N 0.651 120.961 120.300 0.016 0.000 2.544 355 Y HA 0.361 4.911 4.550 -0.000 0.000 0.342 355 Y C -1.540 174.251 175.900 -0.181 0.000 1.062 355 Y CA -1.298 56.739 58.100 -0.106 0.000 1.023 355 Y CB 1.644 40.042 38.460 -0.103 0.000 1.308 355 Y HN 0.108 nan 8.280 nan 0.000 0.457 356 M N 7.275 126.129 119.600 -1.244 0.000 2.103 356 M HA 0.252 4.732 4.480 -0.000 0.000 0.350 356 M C -0.535 175.145 176.300 -1.034 0.000 1.100 356 M CA -0.426 54.062 55.300 -1.354 0.000 1.042 356 M CB 0.873 32.711 32.600 -1.271 0.000 1.368 356 M HN 1.055 nan 8.290 nan 0.000 0.404 357 M N 2.698 121.983 119.600 -0.524 0.000 2.108 357 M HA 0.022 4.502 4.480 -0.000 0.000 0.261 357 M C 1.365 177.557 176.300 -0.180 0.000 1.066 357 M CA 1.621 56.856 55.300 -0.108 0.000 1.107 357 M CB -0.487 32.134 32.600 0.034 0.000 1.356 357 M HN 0.761 nan 8.290 nan 0.000 0.406 358 G N -1.121 107.476 108.800 -0.339 0.000 2.631 358 G HA2 0.461 4.421 3.960 -0.000 0.000 0.271 358 G HA3 0.461 4.421 3.960 -0.000 0.000 0.271 358 G C 0.210 174.967 174.900 -0.238 0.000 1.302 358 G CA -0.085 44.864 45.100 -0.251 0.000 1.002 358 G HN 0.685 nan 8.290 nan 0.000 0.519 359 G N -1.833 106.869 108.800 -0.163 0.000 2.350 359 G HA2 0.225 4.185 3.960 -0.000 0.000 0.282 359 G HA3 0.225 4.185 3.960 -0.000 0.000 0.282 359 G C -0.825 174.018 174.900 -0.096 0.000 1.314 359 G CA -0.681 44.341 45.100 -0.131 0.000 0.915 359 G HN 0.769 nan 8.290 nan 0.000 0.499 360 I N 3.173 123.692 120.570 -0.085 0.000 2.452 360 I HA 0.257 4.427 4.170 -0.000 0.000 0.287 360 I C -1.634 174.417 176.117 -0.109 0.000 1.079 360 I CA -1.437 59.816 61.300 -0.079 0.000 1.387 360 I CB 1.275 39.237 38.000 -0.063 0.000 1.404 360 I HN 0.178 nan 8.210 nan 0.000 0.522 361 P HA 0.096 nan 4.420 nan 0.000 0.271 361 P C -0.572 176.632 177.300 -0.160 0.000 1.220 361 P CA -0.061 62.942 63.100 -0.161 0.000 0.768 361 P CB 0.744 32.348 31.700 -0.161 0.000 0.848 362 T N -0.035 114.408 114.554 -0.184 0.000 2.896 362 T HA 0.520 4.870 4.350 -0.000 0.000 0.297 362 T C -0.134 174.451 174.700 -0.192 0.000 1.108 362 T CA -1.028 60.965 62.100 -0.179 0.000 1.004 362 T CB 1.762 70.530 68.868 -0.166 0.000 1.159 362 T HN 0.140 nan 8.240 nan 0.000 0.499 363 K N 0.600 120.898 120.400 -0.170 0.000 2.117 363 K HA 0.483 4.803 4.320 -0.000 0.000 0.240 363 K C 1.233 177.728 176.600 -0.176 0.000 1.031 363 K CA -0.834 55.355 56.287 -0.164 0.000 0.909 363 K CB 0.546 32.958 32.500 -0.146 0.000 1.097 363 K HN 0.316 nan 8.250 nan 0.000 0.492 364 V N 1.044 120.848 119.914 -0.184 0.000 2.594 364 V HA -0.217 3.903 4.120 -0.000 0.000 0.253 364 V C 2.178 178.200 176.094 -0.120 0.000 1.069 364 V CA 2.332 64.532 62.300 -0.167 0.000 1.082 364 V CB -0.909 30.712 31.823 -0.337 0.000 0.680 364 V HN 1.026 nan 8.190 nan 0.000 0.469 365 T N -2.686 111.767 114.554 -0.170 0.000 3.113 365 T HA 0.150 4.500 4.350 -0.000 0.000 0.263 365 T C 1.654 176.424 174.700 0.116 0.000 1.143 365 T CA 1.158 63.208 62.100 -0.084 0.000 1.090 365 T CB 0.207 69.019 68.868 -0.092 0.000 0.922 365 T HN 0.882 nan 8.240 nan 0.000 0.521 366 G N 0.756 109.600 108.800 0.073 0.000 2.268 366 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.240 366 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.240 366 G C 0.020 174.978 174.900 0.097 0.000 1.010 366 G CA 0.016 45.204 45.100 0.146 0.000 0.618 366 G HN 0.678 nan 8.290 nan 0.000 0.516 367 Q N 1.185 120.955 119.800 -0.050 0.000 2.308 367 Q HA 0.438 4.777 4.340 -0.000 0.000 0.313 367 Q C 0.790 176.592 176.000 -0.330 0.000 1.075 367 Q CA 0.341 55.853 55.803 -0.485 0.000 0.995 367 Q CB 0.661 29.164 28.738 -0.391 0.000 1.107 367 Q HN 0.900 nan 8.270 nan 0.000 0.380 368 A N 3.914 126.509 122.820 -0.375 0.000 2.371 368 A HA 0.476 4.796 4.320 -0.000 0.000 0.257 368 A C -0.441 177.024 177.584 -0.197 0.000 1.089 368 A CA -0.383 51.519 52.037 -0.225 0.000 0.794 368 A CB 0.447 19.341 19.000 -0.176 0.000 1.029 368 A HN 0.704 nan 8.150 nan 0.000 0.488 369 L N 0.965 122.097 121.223 -0.151 0.000 2.334 369 L HA 0.690 5.030 4.340 -0.000 0.000 0.273 369 L C 0.506 177.313 176.870 -0.104 0.000 1.013 369 L CA -0.410 54.353 54.840 -0.129 0.000 0.816 369 L CB 2.252 44.236 42.059 -0.125 0.000 1.278 369 L HN 0.840 nan 8.230 nan 0.000 0.431 370 T N 0.760 115.259 114.554 -0.091 0.000 2.716 370 T HA 0.729 5.079 4.350 -0.000 0.000 0.286 370 T C -1.433 173.226 174.700 -0.068 0.000 1.052 370 T CA -0.412 61.642 62.100 -0.077 0.000 1.024 370 T CB 1.948 70.773 68.868 -0.072 0.000 1.349 370 T HN 0.411 nan 8.240 nan 0.000 0.525 371 V N 1.805 121.682 119.914 -0.062 0.000 2.823 371 V HA 0.801 4.921 4.120 -0.000 0.000 0.312 371 V C -0.325 175.738 176.094 -0.051 0.000 1.072 371 V CA -1.212 61.056 62.300 -0.054 0.000 0.937 371 V CB 1.393 33.187 31.823 -0.049 0.000 1.013 371 V HN 1.019 nan 8.190 nan 0.000 0.430 372 N N 1.479 120.153 118.700 -0.043 0.000 2.405 372 N HA 0.266 5.006 4.740 -0.000 0.000 0.269 372 N C 0.474 175.962 175.510 -0.037 0.000 1.249 372 N CA -0.283 52.743 53.050 -0.039 0.000 0.974 372 N CB 0.257 38.724 38.487 -0.034 0.000 1.204 372 N HN 0.726 nan 8.380 nan 0.000 0.565 373 E N -0.976 119.204 120.200 -0.033 0.000 2.331 373 E HA -0.153 4.197 4.350 -0.000 0.000 0.199 373 E C 0.409 176.993 176.600 -0.027 0.000 1.008 373 E CA 1.090 57.472 56.400 -0.031 0.000 0.843 373 E CB -0.136 29.548 29.700 -0.027 0.000 0.761 373 E HN 0.594 nan 8.360 nan 0.000 0.507 374 K N -0.897 119.488 120.400 -0.025 0.000 2.387 374 K HA 0.242 4.561 4.320 -0.000 0.000 0.198 374 K C 1.043 177.630 176.600 -0.022 0.000 1.022 374 K CA 0.497 56.771 56.287 -0.022 0.000 1.128 374 K CB 0.859 33.347 32.500 -0.019 0.000 0.853 374 K HN 0.163 nan 8.250 nan 0.000 0.523 375 G N 1.951 110.735 108.800 -0.026 0.000 2.179 375 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 375 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 375 G C -0.349 174.536 174.900 -0.024 0.000 0.977 375 G CA 0.026 45.111 45.100 -0.025 0.000 0.641 375 G HN 0.444 nan 8.290 nan 0.000 0.533 376 E N 1.238 121.422 120.200 -0.026 0.000 2.366 376 E HA 0.395 4.745 4.350 -0.000 0.000 0.266 376 E C -0.249 176.330 176.600 -0.034 0.000 1.051 376 E CA -0.593 55.791 56.400 -0.026 0.000 0.884 376 E CB 0.600 30.285 29.700 -0.025 0.000 1.006 376 E HN 0.250 nan 8.360 nan 0.000 0.417 377 D N 1.264 121.642 120.400 -0.036 0.000 2.443 377 D HA 0.125 4.765 4.640 -0.000 0.000 0.239 377 D C -0.792 175.477 176.300 -0.053 0.000 1.136 377 D CA 0.289 54.260 54.000 -0.049 0.000 0.879 377 D CB 0.916 41.684 40.800 -0.053 0.000 1.195 377 D HN -0.035 nan 8.370 nan 0.000 0.443 378 V N 2.448 122.324 119.914 -0.063 0.000 2.733 378 V HA 0.145 4.265 4.120 -0.000 0.000 0.306 378 V C 0.168 176.212 176.094 -0.083 0.000 1.084 378 V CA -0.998 61.264 62.300 -0.064 0.000 0.905 378 V CB 2.236 34.026 31.823 -0.055 0.000 1.010 378 V HN 0.261 nan 8.190 nan 0.000 0.424 379 V N 4.695 124.554 119.914 -0.093 0.000 2.740 379 V HA 0.115 4.235 4.120 -0.000 0.000 0.303 379 V C 0.288 176.308 176.094 -0.123 0.000 1.054 379 V CA -0.056 62.167 62.300 -0.128 0.000 1.106 379 V CB 1.666 33.405 31.823 -0.139 0.000 0.957 379 V HN 0.631 nan 8.190 nan 0.000 0.486 380 V N 7.907 127.729 119.914 -0.153 0.000 2.372 380 V HA 0.201 4.321 4.120 -0.000 0.000 0.261 380 V C -2.087 173.920 176.094 -0.145 0.000 1.055 380 V CA -1.613 60.610 62.300 -0.127 0.000 0.930 380 V CB 0.734 32.484 31.823 -0.120 0.000 1.031 380 V HN 0.801 nan 8.190 nan 0.000 0.479 381 P HA 0.211 nan 4.420 nan 0.000 0.265 381 P C 1.107 178.391 177.300 -0.028 0.000 1.193 381 P CA 1.294 64.357 63.100 -0.062 0.000 0.765 381 P CB 0.706 32.394 31.700 -0.021 0.000 0.823 382 G N 1.369 110.185 108.800 0.027 0.000 2.253 382 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.251 382 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.251 382 G C -0.256 174.763 174.900 0.200 0.000 0.998 382 G CA -0.036 45.158 45.100 0.157 0.000 0.621 382 G HN 0.587 nan 8.290 nan 0.000 0.524 383 L N 0.849 122.049 121.223 -0.039 0.000 2.322 383 L HA 0.893 5.233 4.340 -0.000 0.000 0.279 383 L C -0.518 176.193 176.870 -0.266 0.000 1.036 383 L CA -1.115 53.715 54.840 -0.016 0.000 0.807 383 L CB 0.900 42.922 42.059 -0.061 0.000 1.226 383 L HN 0.103 nan 8.230 nan 0.000 0.433 384 F N 2.865 122.801 119.950 -0.023 0.000 2.643 384 F HA 0.857 5.384 4.527 -0.000 0.000 0.314 384 F C -0.164 175.615 175.800 -0.035 0.000 1.096 384 F CA -0.642 57.342 58.000 -0.027 0.000 0.953 384 F CB 2.103 41.094 39.000 -0.016 0.000 1.345 384 F HN 0.580 nan 8.300 nan 0.000 0.468 385 A N 0.987 123.891 122.820 0.139 0.000 2.547 385 A HA 0.839 5.159 4.320 -0.000 0.000 0.297 385 A C -1.710 175.905 177.584 0.051 0.000 1.056 385 A CA -0.756 51.317 52.037 0.060 0.000 0.688 385 A CB 1.623 20.621 19.000 -0.004 0.000 1.282 385 A HN 1.161 nan 8.150 nan 0.000 0.400 386 V N -0.604 119.340 119.914 0.050 0.000 2.971 386 V HA 1.008 5.128 4.120 -0.000 0.000 0.309 386 V C 0.412 176.545 176.094 0.066 0.000 1.130 386 V CA 0.150 62.493 62.300 0.072 0.000 0.964 386 V CB 0.801 32.690 31.823 0.110 0.000 1.029 386 V HN 2.946 nan 8.190 nan 0.000 0.427 387 G N 2.204 111.064 108.800 0.100 0.000 2.587 387 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.212 387 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.212 387 G C 0.514 175.476 174.900 0.104 0.000 1.327 387 G CA 0.767 45.942 45.100 0.125 0.000 0.898 387 G HN 1.459 nan 8.290 nan 0.000 0.551 388 E N -0.838 119.425 120.200 0.104 0.000 2.219 388 E HA -0.182 4.167 4.350 -0.000 0.000 0.198 388 E C 2.451 178.983 176.600 -0.113 0.000 0.998 388 E CA 1.789 58.188 56.400 -0.001 0.000 0.818 388 E CB -0.131 29.536 29.700 -0.055 0.000 0.741 388 E HN 0.512 nan 8.360 nan 0.000 0.477 389 I N 0.575 121.106 120.570 -0.064 0.000 2.676 389 I HA -0.002 4.168 4.170 -0.000 0.000 0.259 389 I C 0.717 176.786 176.117 -0.080 0.000 1.194 389 I CA 0.510 61.763 61.300 -0.079 0.000 1.473 389 I CB -0.492 37.480 38.000 -0.047 0.000 1.096 389 I HN 0.089 nan 8.210 nan 0.000 0.443 390 A N -0.501 122.283 122.820 -0.059 0.000 2.304 390 A HA 0.458 4.778 4.320 -0.000 0.000 0.271 390 A C -0.216 177.309 177.584 -0.098 0.000 1.091 390 A CA -0.221 51.767 52.037 -0.082 0.000 0.812 390 A CB 0.469 19.416 19.000 -0.089 0.000 1.056 390 A HN 0.422 nan 8.150 nan 0.000 0.489 391 C N 2.830 122.050 119.300 -0.133 0.000 2.653 391 C HA 0.478 4.938 4.460 -0.000 0.000 0.291 391 C C 1.149 176.015 174.990 -0.208 0.000 1.064 391 C CA -0.400 58.535 59.018 -0.138 0.000 1.469 391 C CB -1.022 26.640 27.740 -0.131 0.000 1.861 391 C HN 0.646 nan 8.230 nan 0.000 0.434 392 V N 3.393 123.153 119.914 -0.257 0.000 2.379 392 V HA 0.022 4.142 4.120 -0.000 0.000 0.245 392 V C 1.474 177.414 176.094 -0.258 0.000 1.044 392 V CA 1.876 63.972 62.300 -0.341 0.000 1.036 392 V CB -0.249 31.216 31.823 -0.597 0.000 0.664 392 V HN 0.859 nan 8.190 nan 0.000 0.453 393 S N -0.045 115.546 115.700 -0.182 0.000 2.449 393 S HA 0.374 4.843 4.470 -0.000 0.000 0.310 393 S C 0.315 174.837 174.600 -0.130 0.000 1.096 393 S CA -0.227 57.888 58.200 -0.140 0.000 1.095 393 S CB 1.902 65.100 63.200 -0.004 0.000 1.007 393 S HN 0.265 nan 8.310 nan 0.000 0.474 394 V N 2.477 122.203 119.914 -0.314 0.000 3.647 394 V HA 0.410 4.530 4.120 -0.000 0.000 0.279 394 V C 0.835 176.718 176.094 -0.351 0.000 1.314 394 V CA 0.336 62.439 62.300 -0.330 0.000 1.125 394 V CB -0.892 30.756 31.823 -0.292 0.000 0.907 394 V HN 0.943 nan 8.190 nan 0.000 0.434 395 H N 0.388 119.506 119.070 0.079 0.000 3.170 395 H HA 0.452 5.007 4.556 -0.000 0.000 0.264 395 H C 1.800 177.171 175.328 0.071 0.000 1.113 395 H CA 0.230 56.324 56.048 0.077 0.000 1.194 395 H CB 0.736 30.565 29.762 0.111 0.000 1.553 395 H HN 0.499 nan 8.280 nan 0.000 0.538 396 G N 1.718 110.613 108.800 0.159 0.000 2.672 396 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.324 396 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.324 396 G C 1.153 176.128 174.900 0.126 0.000 1.286 396 G CA 1.518 46.696 45.100 0.129 0.000 1.004 396 G HN 0.580 nan 8.290 nan 0.000 0.548 397 A N 0.217 123.093 122.820 0.093 0.000 2.345 397 A HA 0.580 4.900 4.320 -0.000 0.000 0.225 397 A C 0.655 178.299 177.584 0.100 0.000 1.243 397 A CA 1.435 53.529 52.037 0.095 0.000 0.875 397 A CB -0.347 18.707 19.000 0.090 0.000 0.929 397 A HN 1.790 nan 8.150 nan 0.000 0.502 398 N N -0.848 117.914 118.700 0.103 0.000 2.999 398 N HA 0.141 4.880 4.740 -0.000 0.000 0.244 398 N C -1.008 174.554 175.510 0.086 0.000 1.106 398 N CA -0.430 52.673 53.050 0.090 0.000 1.018 398 N CB 0.801 39.328 38.487 0.067 0.000 1.600 398 N HN 0.270 nan 8.380 nan 0.000 0.621 399 R N 3.783 124.315 120.500 0.053 0.000 2.459 399 R HA 0.500 4.840 4.340 -0.000 0.000 0.281 399 R C -0.622 175.668 176.300 -0.017 0.000 1.050 399 R CA -0.512 55.577 56.100 -0.018 0.000 1.055 399 R CB 0.654 30.732 30.300 -0.370 0.000 1.045 399 R HN 0.548 nan 8.270 nan 0.000 0.495 400 L N 3.073 124.321 121.223 0.042 0.000 2.349 400 L HA 0.287 4.627 4.340 -0.000 0.000 0.275 400 L C 1.041 177.961 176.870 0.083 0.000 1.115 400 L CA -0.487 54.397 54.840 0.073 0.000 0.820 400 L CB 1.234 43.380 42.059 0.144 0.000 1.135 400 L HN 0.862 nan 8.230 nan 0.000 0.445 401 G N 1.160 110.063 108.800 0.172 0.000 2.321 401 G HA2 0.307 4.266 3.960 -0.000 0.000 0.237 401 G HA3 0.307 4.266 3.960 -0.000 0.000 0.237 401 G C 0.990 176.007 174.900 0.195 0.000 1.282 401 G CA 0.458 45.791 45.100 0.388 0.000 0.886 401 G HN 1.061 nan 8.290 nan 0.000 0.528 402 G N 2.143 110.929 108.800 -0.024 0.000 2.299 402 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.237 402 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.237 402 G C 1.277 176.157 174.900 -0.033 0.000 1.027 402 G CA 0.723 45.706 45.100 -0.195 0.000 0.619 402 G HN 0.692 nan 8.290 nan 0.000 0.513 403 N N 0.642 119.364 118.700 0.038 0.000 2.457 403 N HA 0.133 4.872 4.740 -0.000 0.000 0.180 403 N C 2.142 177.732 175.510 0.134 0.000 1.050 403 N CA 1.432 54.567 53.050 0.141 0.000 0.906 403 N CB -0.021 38.608 38.487 0.236 0.000 0.968 403 N HN 0.473 nan 8.380 nan 0.000 0.445 404 S N 0.236 115.906 115.700 -0.051 0.000 2.357 404 S HA 0.089 4.559 4.470 -0.000 0.000 0.221 404 S C 1.853 176.504 174.600 0.085 0.000 1.031 404 S CA 0.529 58.707 58.200 -0.036 0.000 0.982 404 S CB -0.191 62.874 63.200 -0.224 0.000 0.853 404 S HN 0.204 nan 8.310 nan 0.000 0.458 405 L N 1.043 122.294 121.223 0.047 0.000 2.042 405 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 405 L C 2.556 179.475 176.870 0.081 0.000 1.076 405 L CA 1.151 56.025 54.840 0.057 0.000 0.749 405 L CB -0.723 41.354 42.059 0.029 0.000 0.893 405 L HN 0.361 nan 8.230 nan 0.000 0.432 406 L N 0.612 121.888 121.223 0.088 0.000 1.990 406 L HA -0.292 4.048 4.340 -0.000 0.000 0.213 406 L C 2.281 179.226 176.870 0.125 0.000 1.072 406 L CA 2.287 57.184 54.840 0.096 0.000 0.755 406 L CB -0.781 41.355 42.059 0.129 0.000 0.889 406 L HN 0.311 nan 8.230 nan 0.000 0.432 407 D N -0.587 119.947 120.400 0.224 0.000 2.126 407 D HA -0.257 4.383 4.640 -0.000 0.000 0.190 407 D C 2.176 178.664 176.300 0.313 0.000 1.001 407 D CA 2.285 56.505 54.000 0.366 0.000 0.841 407 D CB -0.345 40.736 40.800 0.468 0.000 0.949 407 D HN 0.474 nan 8.370 nan 0.000 0.446 408 L N -0.233 121.120 121.223 0.216 0.000 2.013 408 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 408 L C 2.809 179.752 176.870 0.121 0.000 1.073 408 L CA 1.131 56.069 54.840 0.164 0.000 0.753 408 L CB -0.709 41.416 42.059 0.111 0.000 0.890 408 L HN 0.038 nan 8.230 nan 0.000 0.432 409 V N -0.906 119.055 119.914 0.078 0.000 2.323 409 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 409 V C 2.419 178.511 176.094 -0.004 0.000 1.041 409 V CA 1.264 63.583 62.300 0.032 0.000 1.025 409 V CB -0.109 31.724 31.823 0.016 0.000 0.656 409 V HN 0.172 nan 8.190 nan 0.000 0.451 410 V N -0.587 119.291 119.914 -0.059 0.000 2.295 410 V HA -0.218 3.901 4.120 -0.000 0.000 0.246 410 V C 2.169 178.119 176.094 -0.240 0.000 1.049 410 V CA 2.199 64.363 62.300 -0.226 0.000 1.024 410 V CB -0.667 30.902 31.823 -0.423 0.000 0.648 410 V HN 0.469 nan 8.190 nan 0.000 0.447 411 F N 0.824 120.847 119.950 0.122 0.000 2.416 411 F HA 0.203 4.729 4.527 -0.000 0.000 0.296 411 F C 2.296 178.143 175.800 0.079 0.000 1.099 411 F CA 0.821 58.884 58.000 0.106 0.000 1.427 411 F CB -1.165 37.882 39.000 0.078 0.000 1.079 411 F HN 0.156 nan 8.300 nan 0.000 0.536 412 G N -0.148 108.766 108.800 0.190 0.000 2.404 412 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.215 412 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.215 412 G C 1.844 176.791 174.900 0.079 0.000 1.174 412 G CA 0.556 45.724 45.100 0.113 0.000 0.780 412 G HN 0.205 nan 8.290 nan 0.000 0.537 413 R N 0.424 120.957 120.500 0.056 0.000 2.091 413 R HA -0.035 4.305 4.340 -0.000 0.000 0.238 413 R C 2.870 179.212 176.300 0.070 0.000 1.136 413 R CA 1.456 57.576 56.100 0.032 0.000 0.959 413 R CB -0.314 29.985 30.300 -0.000 0.000 0.856 413 R HN 0.322 nan 8.270 nan 0.000 0.437 414 A N 0.512 123.412 122.820 0.133 0.000 1.898 414 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 414 A C 2.324 180.064 177.584 0.260 0.000 1.181 414 A CA 1.515 53.698 52.037 0.245 0.000 0.620 414 A CB -0.710 18.454 19.000 0.272 0.000 0.819 414 A HN 0.501 nan 8.150 nan 0.000 0.442 415 A N -0.441 122.496 122.820 0.194 0.000 1.940 415 A HA 0.058 4.378 4.320 -0.000 0.000 0.219 415 A C 2.364 179.984 177.584 0.061 0.000 1.176 415 A CA 2.089 54.215 52.037 0.149 0.000 0.631 415 A CB -1.303 17.765 19.000 0.113 0.000 0.814 415 A HN 0.705 nan 8.150 nan 0.000 0.446 416 G N -0.479 108.338 108.800 0.029 0.000 2.394 416 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.214 416 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.214 416 G C 1.535 176.415 174.900 -0.033 0.000 1.176 416 G CA 0.822 45.908 45.100 -0.024 0.000 0.786 416 G HN 0.412 nan 8.290 nan 0.000 0.533 417 L N -0.164 121.033 121.223 -0.042 0.000 2.081 417 L HA -0.121 4.218 4.340 -0.000 0.000 0.212 417 L C 2.392 179.118 176.870 -0.239 0.000 1.080 417 L CA 1.077 55.816 54.840 -0.168 0.000 0.754 417 L CB -0.264 41.643 42.059 -0.253 0.000 0.893 417 L HN 0.310 nan 8.230 nan 0.000 0.433 418 H N -1.883 117.198 119.070 0.018 0.000 2.586 418 H HA 0.065 4.621 4.556 -0.000 0.000 0.273 418 H C 1.905 177.250 175.328 0.029 0.000 0.997 418 H CA -0.002 56.065 56.048 0.031 0.000 1.177 418 H CB 0.698 30.490 29.762 0.050 0.000 1.471 418 H HN 0.183 nan 8.280 nan 0.000 0.538 419 L N 1.305 122.562 121.223 0.057 0.000 2.081 419 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 419 L C 2.395 179.272 176.870 0.012 0.000 1.080 419 L CA 1.655 56.478 54.840 -0.027 0.000 0.754 419 L CB -0.251 41.723 42.059 -0.143 0.000 0.893 419 L HN 0.193 nan 8.230 nan 0.000 0.433 420 Q N -0.963 118.845 119.800 0.013 0.000 2.046 420 Q HA -0.251 4.089 4.340 -0.000 0.000 0.200 420 Q C 2.166 178.197 176.000 0.052 0.000 0.975 420 Q CA 1.898 57.714 55.803 0.021 0.000 0.836 420 Q CB -0.105 28.637 28.738 0.006 0.000 0.896 420 Q HN 0.592 nan 8.270 nan 0.000 0.428 421 E N -0.011 120.234 120.200 0.074 0.000 2.118 421 E HA -0.148 4.201 4.350 -0.000 0.000 0.195 421 E C 2.102 178.766 176.600 0.105 0.000 0.992 421 E CA 1.337 57.791 56.400 0.090 0.000 0.804 421 E CB 0.110 29.883 29.700 0.122 0.000 0.741 421 E HN 0.139 nan 8.360 nan 0.000 0.458 422 S N 0.251 116.041 115.700 0.151 0.000 2.383 422 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 422 S C 1.957 176.671 174.600 0.189 0.000 1.026 422 S CA 0.702 59.025 58.200 0.205 0.000 0.981 422 S CB -0.074 63.371 63.200 0.409 0.000 0.818 422 S HN 0.206 nan 8.310 nan 0.000 0.472 423 I N 1.436 122.098 120.570 0.153 0.000 2.353 423 I HA -0.141 4.029 4.170 -0.000 0.000 0.248 423 I C 2.620 178.784 176.117 0.079 0.000 1.119 423 I CA 0.923 62.295 61.300 0.119 0.000 1.417 423 I CB -0.373 37.670 38.000 0.072 0.000 1.078 423 I HN 0.260 nan 8.210 nan 0.000 0.421 424 A N 0.333 123.191 122.820 0.064 0.000 1.873 424 A HA -0.258 4.062 4.320 -0.000 0.000 0.215 424 A C 2.299 179.909 177.584 0.043 0.000 1.186 424 A CA 1.794 53.858 52.037 0.045 0.000 0.616 424 A CB -0.692 18.330 19.000 0.038 0.000 0.823 424 A HN 0.469 nan 8.150 nan 0.000 0.442 425 E N 0.233 120.463 120.200 0.049 0.000 2.097 425 E HA -0.329 4.021 4.350 -0.000 0.000 0.196 425 E C 2.187 178.804 176.600 0.029 0.000 1.000 425 E CA 1.761 58.183 56.400 0.036 0.000 0.804 425 E CB -0.216 29.506 29.700 0.036 0.000 0.740 425 E HN 0.882 nan 8.360 nan 0.000 0.454 426 Q N -0.122 119.703 119.800 0.042 0.000 2.311 426 Q HA 0.086 4.426 4.340 -0.000 0.000 0.203 426 Q C 0.844 176.860 176.000 0.027 0.000 0.954 426 Q CA 0.737 56.557 55.803 0.029 0.000 0.885 426 Q CB 0.195 28.959 28.738 0.042 0.000 0.963 426 Q HN 0.226 nan 8.270 nan 0.000 0.471 427 G N 0.921 109.741 108.800 0.033 0.000 2.746 427 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.685 427 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.685 427 G C -0.322 174.596 174.900 0.031 0.000 1.350 427 G CA -0.476 44.640 45.100 0.026 0.000 0.837 427 G HN 0.804 nan 8.290 nan 0.000 0.564 428 A N 0.165 123.000 122.820 0.025 0.000 2.540 428 A HA 0.515 4.835 4.320 -0.000 0.000 0.239 428 A C 0.883 178.484 177.584 0.028 0.000 1.061 428 A CA 0.602 52.655 52.037 0.026 0.000 0.758 428 A CB -0.086 18.926 19.000 0.019 0.000 0.991 428 A HN 1.376 nan 8.150 nan 0.000 0.502 429 L N 2.587 123.832 121.223 0.035 0.000 2.309 429 L HA 0.471 4.811 4.340 -0.000 0.000 0.282 429 L C 0.934 177.825 176.870 0.036 0.000 1.036 429 L CA -0.666 54.197 54.840 0.038 0.000 0.806 429 L CB 1.092 43.181 42.059 0.052 0.000 1.220 429 L HN 0.846 nan 8.230 nan 0.000 0.429 430 R N 1.188 121.706 120.500 0.030 0.000 2.643 430 R HA 0.050 4.390 4.340 -0.000 0.000 0.270 430 R C -0.561 175.763 176.300 0.041 0.000 1.061 430 R CA -0.571 55.546 56.100 0.029 0.000 1.107 430 R CB 0.533 30.845 30.300 0.020 0.000 0.999 430 R HN 0.517 nan 8.270 nan 0.000 0.460 431 D N 1.701 122.126 120.400 0.042 0.000 2.472 431 D HA 0.036 4.676 4.640 -0.000 0.000 0.237 431 D C -0.254 176.080 176.300 0.056 0.000 1.141 431 D CA 0.503 54.540 54.000 0.061 0.000 0.875 431 D CB 0.817 41.648 40.800 0.053 0.000 1.192 431 D HN 0.609 nan 8.370 nan 0.000 0.450 432 A N 2.004 124.872 122.820 0.080 0.000 2.498 432 A HA 0.356 4.676 4.320 -0.000 0.000 0.239 432 A C 0.763 178.350 177.584 0.004 0.000 1.068 432 A CA -0.212 51.837 52.037 0.020 0.000 0.766 432 A CB 0.070 19.045 19.000 -0.042 0.000 1.003 432 A HN 0.528 nan 8.150 nan 0.000 0.497 433 S N 0.845 116.533 115.700 -0.021 0.000 2.707 433 S HA 0.272 4.742 4.470 -0.000 0.000 0.276 433 S C 0.911 175.485 174.600 -0.043 0.000 1.179 433 S CA 0.300 58.489 58.200 -0.019 0.000 0.992 433 S CB 0.971 64.162 63.200 -0.016 0.000 1.030 433 S HN 0.803 nan 8.310 nan 0.000 0.554 434 E N 0.365 120.547 120.200 -0.029 0.000 2.110 434 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 434 E C 1.863 178.434 176.600 -0.049 0.000 0.988 434 E CA 1.523 57.901 56.400 -0.036 0.000 0.804 434 E CB -0.249 29.441 29.700 -0.016 0.000 0.745 434 E HN 0.800 nan 8.360 nan 0.000 0.458 435 S N -0.203 115.473 115.700 -0.040 0.000 2.470 435 S HA -0.058 4.412 4.470 -0.000 0.000 0.225 435 S C 1.417 175.985 174.600 -0.052 0.000 1.006 435 S CA 0.552 58.728 58.200 -0.039 0.000 0.934 435 S CB 0.070 63.254 63.200 -0.026 0.000 0.778 435 S HN 0.183 nan 8.310 nan 0.000 0.517 436 D N 2.055 122.417 120.400 -0.064 0.000 2.123 436 D HA -0.070 4.570 4.640 -0.000 0.000 0.196 436 D C 2.044 178.267 176.300 -0.128 0.000 0.992 436 D CA 1.171 55.122 54.000 -0.081 0.000 0.833 436 D CB -0.365 40.386 40.800 -0.083 0.000 0.954 436 D HN 0.329 nan 8.370 nan 0.000 0.455 437 V N 0.782 120.586 119.914 -0.182 0.000 2.379 437 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 437 V C 2.391 178.412 176.094 -0.122 0.000 1.044 437 V CA 1.350 63.501 62.300 -0.248 0.000 1.036 437 V CB -0.309 31.317 31.823 -0.327 0.000 0.664 437 V HN 0.047 nan 8.190 nan 0.000 0.453 438 E N 0.841 120.994 120.200 -0.078 0.000 2.110 438 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 438 E C 2.143 178.727 176.600 -0.026 0.000 0.988 438 E CA 1.526 57.903 56.400 -0.038 0.000 0.804 438 E CB -0.465 29.218 29.700 -0.027 0.000 0.745 438 E HN 0.529 nan 8.360 nan 0.000 0.458 439 A N -0.255 122.544 122.820 -0.034 0.000 1.933 439 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 439 A C 2.363 179.941 177.584 -0.009 0.000 1.175 439 A CA 1.747 53.771 52.037 -0.021 0.000 0.628 439 A CB -0.656 18.328 19.000 -0.026 0.000 0.814 439 A HN 0.253 nan 8.150 nan 0.000 0.444 440 S N -0.438 115.252 115.700 -0.017 0.000 2.465 440 S HA -0.037 4.432 4.470 -0.000 0.000 0.241 440 S C 1.400 176.023 174.600 0.039 0.000 1.000 440 S CA 1.185 59.390 58.200 0.009 0.000 0.964 440 S CB -0.302 62.896 63.200 -0.004 0.000 0.763 440 S HN 0.539 nan 8.310 nan 0.000 0.512 441 L N 0.411 121.653 121.223 0.030 0.000 2.585 441 L HA 0.129 4.468 4.340 -0.000 0.000 0.226 441 L C 1.480 178.382 176.870 0.052 0.000 1.113 441 L CA 0.039 54.910 54.840 0.052 0.000 0.876 441 L CB -0.240 41.844 42.059 0.042 0.000 1.072 441 L HN 0.062 nan 8.230 nan 0.000 0.468 442 D N 0.989 121.410 120.400 0.035 0.000 2.116 442 D HA -0.231 4.409 4.640 -0.000 0.000 0.193 442 D C 2.150 178.473 176.300 0.038 0.000 0.998 442 D CA 1.295 55.309 54.000 0.024 0.000 0.836 442 D CB 0.039 40.843 40.800 0.007 0.000 0.951 442 D HN 0.192 nan 8.370 nan 0.000 0.449 443 R N 0.012 120.552 120.500 0.068 0.000 2.073 443 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 443 R C 2.358 178.788 176.300 0.215 0.000 1.134 443 R CA 0.906 57.074 56.100 0.113 0.000 0.952 443 R CB -0.432 29.958 30.300 0.150 0.000 0.850 443 R HN 0.135 nan 8.270 nan 0.000 0.433 444 L N 1.443 122.786 121.223 0.200 0.000 2.046 444 L HA -0.159 4.180 4.340 -0.000 0.000 0.208 444 L C 1.467 178.443 176.870 0.176 0.000 1.077 444 L CA 1.851 56.820 54.840 0.215 0.000 0.747 444 L CB -0.629 41.513 42.059 0.138 0.000 0.896 444 L HN 0.201 nan 8.230 nan 0.000 0.432 445 N N -0.196 118.566 118.700 0.103 0.000 2.166 445 N HA -0.193 4.547 4.740 -0.000 0.000 0.186 445 N C 1.980 177.517 175.510 0.045 0.000 1.019 445 N CA 1.185 54.274 53.050 0.064 0.000 0.856 445 N CB -0.361 38.147 38.487 0.035 0.000 0.993 445 N HN 0.423 nan 8.380 nan 0.000 0.426 446 R N -0.007 120.497 120.500 0.007 0.000 2.080 446 R HA -0.142 4.197 4.340 -0.000 0.000 0.236 446 R C 1.991 178.246 176.300 -0.075 0.000 1.137 446 R CA 1.511 57.557 56.100 -0.091 0.000 0.943 446 R CB -0.312 29.860 30.300 -0.212 0.000 0.846 446 R HN 0.257 nan 8.270 nan 0.000 0.431 447 W N 1.216 122.507 121.300 -0.014 0.000 2.335 447 W HA -0.180 4.479 4.660 -0.000 0.000 0.311 447 W C 2.100 178.607 176.519 -0.020 0.000 1.213 447 W CA 0.861 58.194 57.345 -0.020 0.000 1.274 447 W CB -0.476 28.966 29.460 -0.029 0.000 1.148 447 W HN 0.217 nan 8.180 nan 0.000 0.498 448 N N -0.083 118.745 118.700 0.212 0.000 2.289 448 N HA -0.147 4.593 4.740 -0.000 0.000 0.184 448 N C 0.784 176.336 175.510 0.071 0.000 1.016 448 N CA 1.439 54.558 53.050 0.115 0.000 0.872 448 N CB -0.624 37.911 38.487 0.080 0.000 0.973 448 N HN 0.368 nan 8.380 nan 0.000 0.433 449 N N -0.428 118.301 118.700 0.049 0.000 2.282 449 N HA 0.016 4.756 4.740 -0.000 0.000 0.185 449 N C -0.174 175.339 175.510 0.006 0.000 1.099 449 N CA -0.113 52.948 53.050 0.019 0.000 0.878 449 N CB 0.286 38.774 38.487 0.002 0.000 0.993 449 N HN 0.063 nan 8.380 nan 0.000 0.481 450 N N 1.480 120.183 118.700 0.005 0.000 2.406 450 N HA 0.124 4.864 4.740 -0.000 0.000 0.251 450 N C 0.210 175.737 175.510 0.029 0.000 1.069 450 N CA 0.120 53.163 53.050 -0.012 0.000 0.947 450 N CB 0.535 38.974 38.487 -0.080 0.000 1.111 450 N HN 0.066 nan 8.380 nan 0.000 0.497 451 R N 2.385 122.896 120.500 0.017 0.000 2.191 451 R HA 0.204 4.543 4.340 -0.000 0.000 0.196 451 R C 0.214 176.525 176.300 0.019 0.000 0.991 451 R CA 0.488 56.603 56.100 0.025 0.000 1.075 451 R CB 0.105 30.415 30.300 0.017 0.000 1.040 451 R HN 0.515 nan 8.270 nan 0.000 0.526 452 N N 0.430 119.133 118.700 0.006 0.000 2.214 452 N HA 0.104 4.844 4.740 -0.000 0.000 0.214 452 N C 0.665 176.173 175.510 -0.003 0.000 1.132 452 N CA 0.141 53.193 53.050 0.003 0.000 0.856 452 N CB 0.978 39.464 38.487 -0.002 0.000 1.020 452 N HN 0.105 nan 8.380 nan 0.000 0.509 453 G N 0.196 108.991 108.800 -0.009 0.000 2.489 453 G HA2 0.134 4.094 3.960 -0.000 0.000 0.271 453 G HA3 0.134 4.094 3.960 -0.000 0.000 0.271 453 G C 0.167 175.066 174.900 -0.003 0.000 1.427 453 G CA -0.387 44.700 45.100 -0.022 0.000 1.057 453 G HN 0.070 nan 8.290 nan 0.000 0.532 454 E N -0.155 120.041 120.200 -0.008 0.000 2.392 454 E HA 0.081 4.431 4.350 -0.000 0.000 0.259 454 E C -0.790 175.836 176.600 0.042 0.000 1.108 454 E CA -0.315 56.092 56.400 0.012 0.000 0.916 454 E CB 0.866 30.568 29.700 0.004 0.000 0.989 454 E HN 0.368 nan 8.360 nan 0.000 0.432 455 D N 2.016 122.442 120.400 0.042 0.000 2.339 455 D HA 0.039 4.679 4.640 -0.000 0.000 0.256 455 D C -1.591 174.752 176.300 0.071 0.000 1.214 455 D CA -2.187 51.846 54.000 0.054 0.000 0.877 455 D CB 0.973 41.794 40.800 0.036 0.000 1.111 455 D HN 0.060 nan 8.370 nan 0.000 0.478 456 P HA -0.110 nan 4.420 nan 0.000 0.226 456 P C 1.443 178.783 177.300 0.066 0.000 1.153 456 P CA 0.266 63.442 63.100 0.126 0.000 0.777 456 P CB 0.429 32.233 31.700 0.172 0.000 0.794 457 V N 1.008 120.947 119.914 0.041 0.000 2.358 457 V HA -0.194 3.925 4.120 -0.000 0.000 0.246 457 V C 2.801 178.910 176.094 0.024 0.000 1.047 457 V CA 2.163 64.477 62.300 0.024 0.000 1.035 457 V CB -1.609 30.224 31.823 0.015 0.000 0.658 457 V HN 0.109 nan 8.190 nan 0.000 0.452 458 A N -0.188 122.648 122.820 0.026 0.000 1.933 458 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 458 A C 2.172 179.768 177.584 0.021 0.000 1.175 458 A CA 1.712 53.762 52.037 0.021 0.000 0.628 458 A CB -0.518 18.494 19.000 0.020 0.000 0.814 458 A HN 0.516 nan 8.150 nan 0.000 0.444 459 I N -0.960 119.629 120.570 0.032 0.000 2.226 459 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 459 I C 2.714 178.846 176.117 0.024 0.000 1.100 459 I CA 1.685 63.004 61.300 0.033 0.000 1.374 459 I CB -0.324 37.709 38.000 0.056 0.000 1.057 459 I HN 0.409 nan 8.210 nan 0.000 0.413 460 R N 1.652 122.168 120.500 0.027 0.000 2.081 460 R HA -0.187 4.153 4.340 -0.000 0.000 0.235 460 R C 2.229 178.528 176.300 -0.002 0.000 1.131 460 R CA 1.580 57.688 56.100 0.014 0.000 0.960 460 R CB -0.059 30.251 30.300 0.016 0.000 0.856 460 R HN 0.267 nan 8.270 nan 0.000 0.436 461 K N -0.007 120.395 120.400 0.002 0.000 2.057 461 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 461 K C 2.152 178.737 176.600 -0.025 0.000 1.050 461 K CA 1.326 57.609 56.287 -0.007 0.000 0.935 461 K CB -0.139 32.362 32.500 0.003 0.000 0.715 461 K HN 0.244 nan 8.250 nan 0.000 0.439 462 A N 1.793 124.602 122.820 -0.018 0.000 1.877 462 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 462 A C 2.141 179.702 177.584 -0.038 0.000 1.186 462 A CA 1.169 53.190 52.037 -0.027 0.000 0.620 462 A CB -0.688 18.307 19.000 -0.008 0.000 0.822 462 A HN 0.308 nan 8.150 nan 0.000 0.443 463 L N -0.702 120.503 121.223 -0.030 0.000 1.989 463 L HA -0.309 4.031 4.340 -0.000 0.000 0.211 463 L C 2.760 179.576 176.870 -0.091 0.000 1.071 463 L CA 2.250 57.063 54.840 -0.045 0.000 0.749 463 L CB -0.385 41.653 42.059 -0.036 0.000 0.890 463 L HN 0.498 nan 8.230 nan 0.000 0.431 464 Q N -0.742 119.005 119.800 -0.088 0.000 2.079 464 Q HA -0.263 4.077 4.340 -0.000 0.000 0.200 464 Q C 2.112 178.044 176.000 -0.114 0.000 0.974 464 Q CA 1.789 57.525 55.803 -0.113 0.000 0.840 464 Q CB -0.119 28.585 28.738 -0.057 0.000 0.898 464 Q HN 0.563 nan 8.270 nan 0.000 0.430 465 E N 0.099 120.225 120.200 -0.123 0.000 2.106 465 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 465 E C 2.034 178.467 176.600 -0.278 0.000 0.984 465 E CA 0.948 57.205 56.400 -0.239 0.000 0.806 465 E CB -0.078 29.462 29.700 -0.266 0.000 0.750 465 E HN 0.367 nan 8.360 nan 0.000 0.458 466 C N 0.742 119.959 119.300 -0.138 0.000 2.413 466 C HA -0.148 4.312 4.460 -0.000 0.000 0.276 466 C C 2.662 177.679 174.990 0.045 0.000 1.236 466 C CA 0.906 59.901 59.018 -0.038 0.000 1.735 466 C CB -0.769 26.985 27.740 0.023 0.000 2.031 466 C HN 0.507 nan 8.230 nan 0.000 0.474 467 M N 0.102 119.683 119.600 -0.032 0.000 2.175 467 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 467 M C 2.057 178.413 176.300 0.093 0.000 1.063 467 M CA 1.556 56.822 55.300 -0.058 0.000 1.119 467 M CB -1.735 30.439 32.600 -0.711 0.000 1.377 467 M HN 0.473 nan 8.290 nan 0.000 0.415 468 Q N -0.123 119.736 119.800 0.098 0.000 2.119 468 Q HA -0.113 4.226 4.340 -0.000 0.000 0.201 468 Q C 1.801 178.004 176.000 0.337 0.000 0.972 468 Q CA 1.767 57.756 55.803 0.310 0.000 0.847 468 Q CB -0.232 28.652 28.738 0.243 0.000 0.903 468 Q HN 0.657 nan 8.270 nan 0.000 0.433 469 H N -1.512 117.608 119.070 0.083 0.000 2.482 469 H HA 0.148 4.704 4.556 -0.000 0.000 0.286 469 H C 0.835 176.149 175.328 -0.024 0.000 1.017 469 H CA 0.587 56.656 56.048 0.035 0.000 1.322 469 H CB 0.608 30.383 29.762 0.021 0.000 1.426 469 H HN 0.258 nan 8.280 nan 0.000 0.546 470 N N -0.305 118.421 118.700 0.042 0.000 2.273 470 N HA 0.020 4.759 4.740 -0.000 0.000 0.192 470 N C -0.286 174.837 175.510 -0.646 0.000 1.132 470 N CA 0.377 53.230 53.050 -0.328 0.000 0.887 470 N CB 0.783 38.964 38.487 -0.511 0.000 1.048 470 N HN 0.167 nan 8.380 nan 0.000 0.490 471 F N 0.059 120.102 119.950 0.155 0.000 2.815 471 F HA 0.359 4.886 4.527 -0.000 0.000 0.335 471 F C 1.033 177.034 175.800 0.335 0.000 1.179 471 F CA -0.525 57.601 58.000 0.211 0.000 1.204 471 F CB 0.274 39.373 39.000 0.164 0.000 1.050 471 F HN -0.231 nan 8.300 nan 0.000 0.510 472 S N -0.430 115.430 115.700 0.266 0.000 2.477 472 S HA 0.256 4.726 4.470 -0.000 0.000 0.261 472 S C 1.766 176.117 174.600 -0.415 0.000 1.197 472 S CA -0.092 58.073 58.200 -0.060 0.000 1.015 472 S CB 0.507 63.662 63.200 -0.074 0.000 1.077 472 S HN -0.042 nan 8.310 nan 0.000 0.505 473 V N 0.314 119.727 119.914 -0.835 0.000 2.324 473 V HA -0.044 4.076 4.120 -0.000 0.000 0.250 473 V C 0.385 176.079 176.094 -0.667 0.000 1.060 473 V CA 1.551 63.355 62.300 -0.826 0.000 1.042 473 V CB -0.777 30.540 31.823 -0.843 0.000 0.650 473 V HN 0.564 nan 8.190 nan 0.000 0.450 474 F N -0.490 119.311 119.950 -0.248 0.000 2.458 474 F HA 0.665 5.191 4.527 -0.000 0.000 0.336 474 F C 0.432 176.088 175.800 -0.241 0.000 1.114 474 F CA -0.904 56.909 58.000 -0.311 0.000 0.987 474 F CB 1.277 40.133 39.000 -0.240 0.000 1.130 474 F HN -0.136 nan 8.300 nan 0.000 0.458 475 R N 1.592 122.020 120.500 -0.122 0.000 2.892 475 R HA 0.708 5.047 4.340 -0.000 0.000 0.265 475 R C -1.124 175.144 176.300 -0.052 0.000 1.025 475 R CA -1.103 54.951 56.100 -0.076 0.000 0.982 475 R CB 2.504 32.773 30.300 -0.051 0.000 1.185 475 R HN 0.599 nan 8.270 nan 0.000 0.484 476 E N -0.578 119.630 120.200 0.013 0.000 2.331 476 E HA 0.195 4.545 4.350 -0.000 0.000 0.275 476 E C 0.255 176.891 176.600 0.061 0.000 0.895 476 E CA -0.640 55.813 56.400 0.088 0.000 0.753 476 E CB 2.181 31.971 29.700 0.149 0.000 1.216 476 E HN 0.761 nan 8.360 nan 0.000 0.434 477 G N 2.342 111.200 108.800 0.098 0.000 2.553 477 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.218 477 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.218 477 G C 0.845 175.792 174.900 0.077 0.000 1.195 477 G CA 1.268 46.437 45.100 0.114 0.000 0.779 477 G HN 0.482 nan 8.290 nan 0.000 0.577 478 D N 0.872 121.306 120.400 0.057 0.000 2.087 478 D HA -0.069 4.570 4.640 -0.000 0.000 0.192 478 D C 2.874 179.186 176.300 0.020 0.000 0.993 478 D CA 1.610 55.634 54.000 0.040 0.000 0.828 478 D CB -0.746 40.071 40.800 0.028 0.000 0.968 478 D HN 0.295 nan 8.370 nan 0.000 0.448 479 A N 0.443 123.261 122.820 -0.004 0.000 1.940 479 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 479 A C 2.296 179.808 177.584 -0.121 0.000 1.176 479 A CA 1.660 53.669 52.037 -0.048 0.000 0.631 479 A CB -0.579 18.387 19.000 -0.057 0.000 0.814 479 A HN 0.194 nan 8.150 nan 0.000 0.446 480 M N -0.767 118.748 119.600 -0.143 0.000 2.086 480 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 480 M C 2.598 178.940 176.300 0.069 0.000 1.067 480 M CA 1.432 56.627 55.300 -0.175 0.000 1.116 480 M CB -0.494 32.097 32.600 -0.015 0.000 1.348 480 M HN 0.488 nan 8.290 nan 0.000 0.407 481 A N 0.376 123.246 122.820 0.083 0.000 1.908 481 A HA -0.227 4.092 4.320 -0.000 0.000 0.218 481 A C 2.126 179.769 177.584 0.098 0.000 1.181 481 A CA 2.099 54.201 52.037 0.107 0.000 0.627 481 A CB -0.632 18.424 19.000 0.094 0.000 0.818 481 A HN 0.420 nan 8.150 nan 0.000 0.445 482 K N -0.900 119.539 120.400 0.066 0.000 2.025 482 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 482 K C 2.090 178.741 176.600 0.084 0.000 1.049 482 K CA 1.257 57.582 56.287 0.063 0.000 0.933 482 K CB -0.539 31.985 32.500 0.040 0.000 0.714 482 K HN 0.404 nan 8.250 nan 0.000 0.438 483 G N 1.398 110.244 108.800 0.078 0.000 2.446 483 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 483 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 483 G C 1.366 176.412 174.900 0.243 0.000 1.168 483 G CA 0.963 46.157 45.100 0.156 0.000 0.771 483 G HN 0.279 nan 8.290 nan 0.000 0.551 484 L N 0.673 122.060 121.223 0.273 0.000 2.042 484 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 484 L C 2.636 179.610 176.870 0.173 0.000 1.076 484 L CA 2.002 56.965 54.840 0.205 0.000 0.749 484 L CB -0.492 41.663 42.059 0.161 0.000 0.893 484 L HN 0.131 nan 8.230 nan 0.000 0.432 485 E N -0.288 119.999 120.200 0.144 0.000 2.058 485 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 485 E C 2.185 178.852 176.600 0.111 0.000 0.997 485 E CA 1.535 58.007 56.400 0.120 0.000 0.801 485 E CB -0.324 29.431 29.700 0.093 0.000 0.746 485 E HN 0.684 nan 8.360 nan 0.000 0.450 486 Q N 0.108 119.971 119.800 0.105 0.000 2.170 486 Q HA -0.045 4.295 4.340 -0.000 0.000 0.203 486 Q C 2.440 178.493 176.000 0.088 0.000 0.976 486 Q CA 0.735 56.588 55.803 0.083 0.000 0.858 486 Q CB -0.098 28.684 28.738 0.073 0.000 0.907 486 Q HN 0.252 nan 8.270 nan 0.000 0.433 487 L N 0.538 121.837 121.223 0.126 0.000 2.083 487 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 487 L C 2.227 179.173 176.870 0.128 0.000 1.083 487 L CA 1.222 56.144 54.840 0.137 0.000 0.752 487 L CB -0.290 41.889 42.059 0.200 0.000 0.899 487 L HN 0.171 nan 8.230 nan 0.000 0.433 488 K N -0.453 120.038 120.400 0.152 0.000 2.057 488 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 488 K C 2.025 178.645 176.600 0.033 0.000 1.049 488 K CA 1.149 57.489 56.287 0.088 0.000 0.931 488 K CB -0.160 32.414 32.500 0.123 0.000 0.714 488 K HN 0.106 nan 8.250 nan 0.000 0.440 489 V N 1.805 121.745 119.914 0.044 0.000 2.261 489 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 489 V C 2.190 178.292 176.094 0.012 0.000 1.047 489 V CA 1.690 64.005 62.300 0.024 0.000 1.015 489 V CB -0.401 31.440 31.823 0.030 0.000 0.642 489 V HN 0.266 nan 8.190 nan 0.000 0.446 490 I N -0.225 120.358 120.570 0.021 0.000 2.208 490 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 490 I C 2.769 178.884 176.117 -0.003 0.000 1.097 490 I CA 1.860 63.168 61.300 0.013 0.000 1.363 490 I CB -0.463 37.550 38.000 0.022 0.000 1.051 490 I HN 0.234 nan 8.210 nan 0.000 0.413 491 R N 0.785 121.277 120.500 -0.014 0.000 2.115 491 R HA -0.169 4.171 4.340 -0.000 0.000 0.230 491 R C 2.063 178.325 176.300 -0.063 0.000 1.111 491 R CA 1.256 57.325 56.100 -0.052 0.000 0.976 491 R CB -0.022 30.210 30.300 -0.115 0.000 0.870 491 R HN 0.315 nan 8.270 nan 0.000 0.445 492 E N 0.668 120.837 120.200 -0.051 0.000 2.072 492 E HA -0.159 4.190 4.350 -0.000 0.000 0.191 492 E C 2.082 178.651 176.600 -0.052 0.000 0.985 492 E CA 1.014 57.382 56.400 -0.052 0.000 0.801 492 E CB -0.119 29.559 29.700 -0.035 0.000 0.750 492 E HN 0.362 nan 8.360 nan 0.000 0.452 493 R N 0.361 120.840 120.500 -0.035 0.000 2.091 493 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 493 R C 2.408 178.676 176.300 -0.054 0.000 1.136 493 R CA 0.975 57.055 56.100 -0.033 0.000 0.959 493 R CB -0.405 29.888 30.300 -0.012 0.000 0.856 493 R HN 0.072 nan 8.270 nan 0.000 0.437 494 L N 1.570 122.763 121.223 -0.050 0.000 2.131 494 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 494 L C 1.386 178.150 176.870 -0.177 0.000 1.092 494 L CA 1.801 56.602 54.840 -0.065 0.000 0.759 494 L CB -0.187 41.867 42.059 -0.010 0.000 0.903 494 L HN -0.036 nan 8.230 nan 0.000 0.435 495 K N -0.520 119.787 120.400 -0.155 0.000 2.519 495 K HA -0.039 4.281 4.320 -0.000 0.000 0.196 495 K C 0.575 177.043 176.600 -0.220 0.000 1.041 495 K CA 0.706 56.876 56.287 -0.196 0.000 0.954 495 K CB -0.078 32.341 32.500 -0.135 0.000 0.774 495 K HN 0.338 nan 8.250 nan 0.000 0.480 496 N N 0.042 118.628 118.700 -0.189 0.000 2.291 496 N HA 0.122 4.861 4.740 -0.000 0.000 0.244 496 N C -0.965 174.445 175.510 -0.167 0.000 1.216 496 N CA -0.028 52.923 53.050 -0.165 0.000 0.879 496 N CB 1.185 39.613 38.487 -0.098 0.000 1.167 496 N HN 0.039 nan 8.380 nan 0.000 0.515 497 A N 1.304 123.969 122.820 -0.258 0.000 2.340 497 A HA 0.461 4.781 4.320 -0.000 0.000 0.268 497 A C 0.637 178.152 177.584 -0.115 0.000 1.100 497 A CA -0.488 51.460 52.037 -0.147 0.000 0.803 497 A CB 0.505 19.473 19.000 -0.052 0.000 1.043 497 A HN 0.377 nan 8.150 nan 0.000 0.488 498 R N 1.070 121.628 120.500 0.097 0.000 2.536 498 R HA 0.685 5.025 4.340 -0.000 0.000 0.279 498 R C -1.124 175.365 176.300 0.316 0.000 1.001 498 R CA -0.695 55.495 56.100 0.150 0.000 1.027 498 R CB 0.837 31.187 30.300 0.083 0.000 1.096 498 R HN 0.493 nan 8.270 nan 0.000 0.502 499 L N 2.538 123.930 121.223 0.283 0.000 2.294 499 L HA 0.333 4.673 4.340 -0.000 0.000 0.283 499 L C -0.466 176.461 176.870 0.094 0.000 1.015 499 L CA -0.067 54.895 54.840 0.204 0.000 0.831 499 L CB 1.580 43.779 42.059 0.232 0.000 1.217 499 L HN 0.734 nan 8.230 nan 0.000 0.420 500 D N 1.454 121.886 120.400 0.053 0.000 2.333 500 D HA 0.007 4.647 4.640 -0.000 0.000 0.208 500 D C -0.304 176.004 176.300 0.014 0.000 0.984 500 D CA 0.763 54.781 54.000 0.031 0.000 0.873 500 D CB 0.305 41.118 40.800 0.023 0.000 0.935 500 D HN 0.597 nan 8.370 nan 0.000 0.521 501 D N -0.617 119.783 120.400 -0.000 0.000 2.303 501 D HA 0.120 4.760 4.640 -0.000 0.000 0.236 501 D C 0.381 176.675 176.300 -0.010 0.000 1.068 501 D CA -0.085 53.910 54.000 -0.009 0.000 0.830 501 D CB 1.603 42.389 40.800 -0.024 0.000 1.109 501 D HN -0.259 nan 8.370 nan 0.000 0.496 502 T N 1.246 115.799 114.554 -0.001 0.000 3.023 502 T HA 0.101 4.451 4.350 -0.000 0.000 0.253 502 T C 0.770 175.467 174.700 -0.004 0.000 1.038 502 T CA 0.323 62.425 62.100 0.004 0.000 0.962 502 T CB -0.070 68.805 68.868 0.013 0.000 1.018 502 T HN 0.497 nan 8.240 nan 0.000 0.521 503 S N 0.872 116.567 115.700 -0.008 0.000 2.598 503 S HA 0.181 4.651 4.470 -0.000 0.000 0.256 503 S C 1.398 175.986 174.600 -0.020 0.000 1.350 503 S CA 0.209 58.404 58.200 -0.008 0.000 0.984 503 S CB 0.992 64.191 63.200 -0.001 0.000 0.930 503 S HN 0.388 nan 8.310 nan 0.000 0.577 504 S N -1.376 114.315 115.700 -0.016 0.000 2.554 504 S HA 0.223 4.693 4.470 -0.000 0.000 0.227 504 S C 0.160 174.741 174.600 -0.031 0.000 1.050 504 S CA -0.187 57.994 58.200 -0.031 0.000 0.927 504 S CB -0.413 62.773 63.200 -0.023 0.000 0.859 504 S HN 0.766 nan 8.310 nan 0.000 0.494 505 E N 1.580 121.783 120.200 0.005 0.000 2.052 505 E HA 0.401 4.751 4.350 -0.000 0.000 0.283 505 E C -0.780 175.891 176.600 0.120 0.000 1.071 505 E CA -0.693 55.735 56.400 0.046 0.000 0.851 505 E CB -0.593 29.139 29.700 0.054 0.000 1.066 505 E HN 0.276 nan 8.360 nan 0.000 0.396 506 F N 3.519 123.434 119.950 -0.059 0.000 2.866 506 F HA -0.295 4.232 4.527 -0.000 0.000 0.254 506 F C -0.269 175.492 175.800 -0.065 0.000 1.009 506 F CA 0.512 58.476 58.000 -0.061 0.000 0.907 506 F CB -0.450 38.522 39.000 -0.045 0.000 0.859 506 F HN 0.469 nan 8.300 nan 0.000 0.842 507 N N 1.258 119.911 118.700 -0.078 0.000 2.521 507 N HA 0.136 4.875 4.740 -0.000 0.000 0.236 507 N C 1.126 176.549 175.510 -0.146 0.000 1.067 507 N CA 0.469 53.478 53.050 -0.069 0.000 0.939 507 N CB 0.900 39.337 38.487 -0.082 0.000 1.201 507 N HN 0.353 nan 8.380 nan 0.000 0.511 508 T N 0.534 115.042 114.554 -0.075 0.000 3.055 508 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 508 T C 1.438 176.041 174.700 -0.160 0.000 1.111 508 T CA 0.644 62.673 62.100 -0.118 0.000 1.118 508 T CB 0.077 68.941 68.868 -0.007 0.000 0.909 508 T HN 0.383 nan 8.240 nan 0.000 0.501 509 Q N 1.926 121.644 119.800 -0.138 0.000 2.050 509 Q HA -0.044 4.296 4.340 -0.000 0.000 0.202 509 Q C 2.462 178.301 176.000 -0.269 0.000 0.980 509 Q CA 1.691 57.394 55.803 -0.166 0.000 0.840 509 Q CB -0.382 28.289 28.738 -0.113 0.000 0.898 509 Q HN 0.634 nan 8.270 nan 0.000 0.424 510 R N -0.778 119.562 120.500 -0.266 0.000 2.083 510 R HA -0.132 4.207 4.340 -0.000 0.000 0.237 510 R C 2.026 178.032 176.300 -0.490 0.000 1.137 510 R CA 1.687 57.575 56.100 -0.354 0.000 0.951 510 R CB -0.395 29.754 30.300 -0.251 0.000 0.851 510 R HN 0.252 nan 8.270 nan 0.000 0.434 511 V N 1.475 121.113 119.914 -0.460 0.000 2.255 511 V HA -0.269 3.850 4.120 -0.000 0.000 0.247 511 V C 2.109 177.886 176.094 -0.527 0.000 1.051 511 V CA 2.328 64.259 62.300 -0.615 0.000 1.018 511 V CB -0.572 30.957 31.823 -0.489 0.000 0.641 511 V HN 0.456 nan 8.190 nan 0.000 0.445 512 E N -1.010 118.971 120.200 -0.365 0.000 2.153 512 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 512 E C 2.220 178.600 176.600 -0.365 0.000 0.988 512 E CA 1.622 57.853 56.400 -0.281 0.000 0.811 512 E CB -0.292 29.293 29.700 -0.192 0.000 0.746 512 E HN 0.642 nan 8.360 nan 0.000 0.466 513 C N 0.353 119.298 119.300 -0.592 0.000 2.453 513 C HA -0.083 4.376 4.460 -0.000 0.000 0.277 513 C C 2.535 176.957 174.990 -0.947 0.000 1.262 513 C CA 0.314 58.716 59.018 -1.028 0.000 1.718 513 C CB -0.884 25.757 27.740 -1.831 0.000 2.031 513 C HN 0.416 nan 8.230 nan 0.000 0.480 514 L N 0.704 121.419 121.223 -0.847 0.000 2.081 514 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 514 L C 2.602 179.413 176.870 -0.098 0.000 1.080 514 L CA 1.679 56.287 54.840 -0.386 0.000 0.754 514 L CB -0.712 41.109 42.059 -0.396 0.000 0.893 514 L HN 0.479 nan 8.230 nan 0.000 0.433 515 E N -0.322 119.785 120.200 -0.154 0.000 2.106 515 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 515 E C 2.093 178.710 176.600 0.028 0.000 0.984 515 E CA 0.871 57.279 56.400 0.014 0.000 0.806 515 E CB -0.115 29.577 29.700 -0.014 0.000 0.750 515 E HN 0.260 nan 8.360 nan 0.000 0.458 516 L N 1.631 122.845 121.223 -0.016 0.000 2.131 516 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 516 L C 1.377 178.319 176.870 0.121 0.000 1.092 516 L CA 1.762 56.632 54.840 0.051 0.000 0.759 516 L CB -0.273 41.820 42.059 0.057 0.000 0.903 516 L HN -0.025 nan 8.230 nan 0.000 0.435 517 D N -0.352 120.159 120.400 0.186 0.000 2.149 517 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 517 D C 1.760 178.130 176.300 0.118 0.000 0.990 517 D CA 1.174 55.288 54.000 0.190 0.000 0.839 517 D CB -0.166 40.786 40.800 0.254 0.000 0.948 517 D HN 0.457 nan 8.370 nan 0.000 0.460 518 N N 0.313 119.077 118.700 0.108 0.000 2.250 518 N HA -0.006 4.734 4.740 -0.000 0.000 0.181 518 N C 2.178 177.725 175.510 0.062 0.000 1.017 518 N CA 0.134 53.235 53.050 0.084 0.000 0.866 518 N CB -0.175 38.366 38.487 0.089 0.000 0.985 518 N HN 0.237 nan 8.380 nan 0.000 0.429 519 L N 0.407 121.662 121.223 0.053 0.000 2.043 519 L HA -0.182 4.157 4.340 -0.000 0.000 0.212 519 L C 2.436 179.316 176.870 0.015 0.000 1.075 519 L CA 1.127 55.981 54.840 0.025 0.000 0.752 519 L CB -0.333 41.733 42.059 0.011 0.000 0.891 519 L HN 0.138 nan 8.230 nan 0.000 0.432 520 M N -0.211 119.409 119.600 0.034 0.000 2.086 520 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 520 M C 2.179 178.503 176.300 0.040 0.000 1.067 520 M CA 1.747 57.064 55.300 0.029 0.000 1.116 520 M CB -0.416 32.205 32.600 0.036 0.000 1.348 520 M HN 0.076 nan 8.290 nan 0.000 0.407 521 E N -0.767 119.462 120.200 0.047 0.000 2.072 521 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 521 E C 2.042 178.667 176.600 0.041 0.000 0.985 521 E CA 1.942 58.377 56.400 0.060 0.000 0.801 521 E CB -0.881 28.860 29.700 0.068 0.000 0.750 521 E HN 0.531 nan 8.360 nan 0.000 0.452 522 T N 1.585 116.159 114.554 0.033 0.000 2.708 522 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 522 T C 2.008 176.702 174.700 -0.010 0.000 1.037 522 T CA 1.604 63.723 62.100 0.032 0.000 1.146 522 T CB -0.258 68.662 68.868 0.086 0.000 0.865 522 T HN 0.284 nan 8.240 nan 0.000 0.435 523 A N 0.542 123.334 122.820 -0.047 0.000 1.877 523 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 523 A C 2.117 179.595 177.584 -0.176 0.000 1.186 523 A CA 1.624 53.573 52.037 -0.146 0.000 0.620 523 A CB -1.104 17.810 19.000 -0.143 0.000 0.822 523 A HN 0.559 nan 8.150 nan 0.000 0.443 524 Y N 0.567 120.745 120.300 -0.202 0.000 2.145 524 Y HA -0.127 4.423 4.550 -0.000 0.000 0.286 524 Y C 2.716 178.403 175.900 -0.356 0.000 1.145 524 Y CA 1.448 59.416 58.100 -0.221 0.000 1.148 524 Y CB -0.573 37.804 38.460 -0.137 0.000 0.981 524 Y HN 0.306 nan 8.280 nan 0.000 0.507 525 A N -1.005 121.580 122.820 -0.392 0.000 1.933 525 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 525 A C 2.226 179.525 177.584 -0.476 0.000 1.175 525 A CA 2.206 53.781 52.037 -0.769 0.000 0.628 525 A CB -1.305 17.313 19.000 -0.636 0.000 0.814 525 A HN 0.515 nan 8.150 nan 0.000 0.444 526 T N 0.211 114.593 114.554 -0.286 0.000 2.708 526 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 526 T C 2.227 176.690 174.700 -0.394 0.000 1.037 526 T CA 1.736 63.724 62.100 -0.187 0.000 1.146 526 T CB -0.414 68.439 68.868 -0.024 0.000 0.865 526 T HN 0.603 nan 8.240 nan 0.000 0.435 527 A N 0.874 123.294 122.820 -0.667 0.000 1.872 527 A HA 0.005 4.324 4.320 -0.000 0.000 0.214 527 A C 2.583 179.963 177.584 -0.339 0.000 1.187 527 A CA 1.166 52.683 52.037 -0.866 0.000 0.614 527 A CB -0.975 17.499 19.000 -0.877 0.000 0.826 527 A HN 0.335 nan 8.150 nan 0.000 0.442 528 V N 0.290 119.944 119.914 -0.434 0.000 2.332 528 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 528 V C 2.778 178.838 176.094 -0.057 0.000 1.055 528 V CA 2.430 64.578 62.300 -0.254 0.000 1.038 528 V CB -0.901 30.717 31.823 -0.343 0.000 0.651 528 V HN 0.558 nan 8.190 nan 0.000 0.450 529 S N 0.121 115.762 115.700 -0.100 0.000 2.355 529 S HA -0.105 4.364 4.470 -0.000 0.000 0.222 529 S C 2.264 176.892 174.600 0.047 0.000 1.031 529 S CA 1.279 59.494 58.200 0.025 0.000 0.993 529 S CB -0.523 62.663 63.200 -0.022 0.000 0.859 529 S HN 0.651 nan 8.310 nan 0.000 0.453 530 A N 2.864 125.700 122.820 0.026 0.000 1.908 530 A HA -0.186 4.133 4.320 -0.000 0.000 0.218 530 A C 1.979 179.699 177.584 0.225 0.000 1.181 530 A CA 1.571 53.694 52.037 0.144 0.000 0.627 530 A CB -0.775 18.470 19.000 0.408 0.000 0.818 530 A HN 0.468 nan 8.150 nan 0.000 0.445 531 N N -1.156 117.688 118.700 0.240 0.000 2.084 531 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 531 N C 1.590 177.188 175.510 0.146 0.000 1.030 531 N CA 1.735 54.910 53.050 0.208 0.000 0.849 531 N CB -0.480 38.128 38.487 0.202 0.000 1.012 531 N HN 0.537 nan 8.380 nan 0.000 0.423 532 F N 2.073 122.030 119.950 0.013 0.000 2.095 532 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 532 F C 1.272 176.988 175.800 -0.141 0.000 1.104 532 F CA 1.028 59.042 58.000 0.024 0.000 1.232 532 F CB -0.132 38.917 39.000 0.083 0.000 0.987 532 F HN -0.166 nan 8.300 nan 0.000 0.475 533 R N 1.330 121.516 120.500 -0.523 0.000 2.272 533 R HA 0.106 4.445 4.340 -0.000 0.000 0.334 533 R C -0.366 175.346 176.300 -0.981 0.000 1.117 533 R CA 0.497 55.824 56.100 -1.289 0.000 0.966 533 R CB -0.163 29.554 30.300 -0.971 0.000 1.049 533 R HN 0.275 nan 8.270 nan 0.000 0.477 534 T N 1.629 115.401 114.554 -1.304 0.000 3.783 534 T HA 0.203 4.553 4.350 -0.000 0.000 0.262 534 T C -0.252 173.818 174.700 -1.050 0.000 1.381 534 T CA -0.555 60.863 62.100 -1.137 0.000 1.155 534 T CB -0.339 67.745 68.868 -1.308 0.000 1.256 534 T HN 0.778 nan 8.240 nan 0.000 0.807 535 E N -0.624 119.200 120.200 -0.625 0.000 2.449 535 E HA 0.630 4.980 4.350 -0.000 0.000 0.278 535 E C -1.537 175.007 176.600 -0.092 0.000 1.059 535 E CA -1.276 54.977 56.400 -0.245 0.000 0.854 535 E CB 0.694 30.227 29.700 -0.279 0.000 1.465 535 E HN 0.011 nan 8.360 nan 0.000 0.462 536 S N -0.115 115.578 115.700 -0.012 0.000 2.596 536 S HA 0.582 5.052 4.470 -0.000 0.000 0.318 536 S C -1.058 173.570 174.600 0.047 0.000 1.097 536 S CA -0.715 57.474 58.200 -0.019 0.000 1.080 536 S CB 0.877 64.061 63.200 -0.026 0.000 0.991 536 S HN 0.461 nan 8.310 nan 0.000 0.471 537 R N 2.019 122.569 120.500 0.083 0.000 2.564 537 R HA 0.563 4.903 4.340 -0.000 0.000 0.284 537 R C 0.792 177.158 176.300 0.110 0.000 1.031 537 R CA 0.230 56.392 56.100 0.103 0.000 0.904 537 R CB 1.001 31.368 30.300 0.111 0.000 1.199 537 R HN 0.845 nan 8.270 nan 0.000 0.443 538 G N 2.399 111.256 108.800 0.096 0.000 2.672 538 G HA2 -0.477 3.483 3.960 -0.000 0.000 0.324 538 G HA3 -0.477 3.483 3.960 -0.000 0.000 0.324 538 G C 0.823 175.771 174.900 0.081 0.000 1.286 538 G CA 0.870 46.023 45.100 0.090 0.000 1.004 538 G HN 0.893 nan 8.290 nan 0.000 0.548 539 A N -0.619 122.266 122.820 0.108 0.000 2.121 539 A HA 0.239 4.559 4.320 -0.000 0.000 0.218 539 A C 1.256 178.924 177.584 0.141 0.000 1.154 539 A CA 1.975 54.086 52.037 0.123 0.000 0.679 539 A CB -0.348 18.771 19.000 0.198 0.000 0.795 539 A HN 1.363 nan 8.150 nan 0.000 0.458 540 H N 0.212 119.313 119.070 0.052 0.000 2.782 540 H HA 0.580 5.136 4.556 -0.000 0.000 0.285 540 H C -0.727 174.592 175.328 -0.015 0.000 1.093 540 H CA 0.079 56.149 56.048 0.037 0.000 1.410 540 H CB 0.365 30.145 29.762 0.030 0.000 1.439 540 H HN 0.054 nan 8.280 nan 0.000 0.469 541 S N 5.230 120.704 115.700 -0.378 0.000 2.594 541 S HA 0.554 5.023 4.470 -0.000 0.000 0.296 541 S C -0.912 173.450 174.600 -0.398 0.000 1.124 541 S CA -0.821 57.182 58.200 -0.328 0.000 1.011 541 S CB 0.440 63.510 63.200 -0.216 0.000 1.016 541 S HN 0.773 nan 8.310 nan 0.000 0.485 542 R N 2.858 123.150 120.500 -0.346 0.000 2.561 542 R HA 0.390 4.729 4.340 -0.000 0.000 0.297 542 R C -0.164 176.018 176.300 -0.196 0.000 0.969 542 R CA -0.597 55.344 56.100 -0.265 0.000 0.879 542 R CB 0.905 31.149 30.300 -0.094 0.000 1.178 542 R HN 0.558 nan 8.270 nan 0.000 0.445 543 F N 1.259 121.211 119.950 0.004 0.000 2.234 543 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 543 F C 2.130 177.887 175.800 -0.073 0.000 1.087 543 F CA 1.231 59.205 58.000 -0.043 0.000 1.340 543 F CB -0.060 38.890 39.000 -0.082 0.000 1.031 543 F HN 0.586 nan 8.300 nan 0.000 0.500 544 D N -1.060 119.386 120.400 0.078 0.000 2.347 544 D HA -0.143 4.497 4.640 -0.000 0.000 0.215 544 D C 0.071 176.080 176.300 -0.484 0.000 0.976 544 D CA 0.658 54.565 54.000 -0.156 0.000 0.884 544 D CB -0.532 40.197 40.800 -0.117 0.000 0.915 544 D HN 0.260 nan 8.370 nan 0.000 0.526 545 F N 0.340 120.291 119.950 0.002 0.000 2.794 545 F HA 0.284 4.811 4.527 -0.000 0.000 0.353 545 F C -1.896 173.889 175.800 -0.024 0.000 1.371 545 F CA -1.830 56.164 58.000 -0.010 0.000 1.173 545 F CB 2.041 41.020 39.000 -0.036 0.000 1.693 545 F HN -0.238 nan 8.300 nan 0.000 0.606 546 P HA -0.039 nan 4.420 nan 0.000 0.230 546 P C -0.151 177.198 177.300 0.082 0.000 1.158 546 P CA 1.002 64.147 63.100 0.075 0.000 0.769 546 P CB 0.468 32.215 31.700 0.078 0.000 0.807 547 D N -0.031 120.434 120.400 0.109 0.000 2.326 547 D HA 0.219 4.859 4.640 -0.000 0.000 0.251 547 D C 0.159 176.521 176.300 0.102 0.000 1.023 547 D CA -0.575 53.487 54.000 0.102 0.000 0.966 547 D CB 1.369 42.233 40.800 0.107 0.000 1.156 547 D HN -0.173 nan 8.370 nan 0.000 0.494 548 R N 1.023 121.581 120.500 0.098 0.000 2.265 548 R HA 0.108 4.448 4.340 -0.000 0.000 0.314 548 R C -0.790 175.584 176.300 0.123 0.000 1.053 548 R CA -0.338 55.825 56.100 0.106 0.000 0.931 548 R CB 0.493 30.858 30.300 0.107 0.000 1.024 548 R HN 0.235 nan 8.270 nan 0.000 0.457 549 D N 3.278 123.774 120.400 0.160 0.000 2.485 549 D HA 0.087 4.727 4.640 -0.000 0.000 0.229 549 D C -0.346 176.063 176.300 0.182 0.000 1.101 549 D CA -0.389 53.726 54.000 0.193 0.000 0.906 549 D CB 1.065 42.044 40.800 0.300 0.000 1.019 549 D HN 0.448 nan 8.370 nan 0.000 0.516 550 D N 2.033 122.499 120.400 0.109 0.000 2.347 550 D HA -0.053 4.587 4.640 -0.000 0.000 0.215 550 D C 1.337 177.660 176.300 0.038 0.000 0.976 550 D CA 0.536 54.580 54.000 0.073 0.000 0.884 550 D CB 0.455 41.275 40.800 0.033 0.000 0.915 550 D HN 0.594 nan 8.370 nan 0.000 0.526 551 E N -0.104 120.115 120.200 0.031 0.000 2.158 551 E HA 0.019 4.369 4.350 -0.000 0.000 0.191 551 E C 1.208 177.768 176.600 -0.066 0.000 0.982 551 E CA 0.459 56.853 56.400 -0.010 0.000 0.823 551 E CB 0.281 29.980 29.700 -0.001 0.000 0.766 551 E HN 0.191 nan 8.360 nan 0.000 0.468 552 N N -1.541 117.105 118.700 -0.089 0.000 2.273 552 N HA 0.032 4.771 4.740 -0.000 0.000 0.192 552 N C 0.121 175.248 175.510 -0.639 0.000 1.132 552 N CA 0.277 53.118 53.050 -0.349 0.000 0.887 552 N CB 0.543 38.808 38.487 -0.369 0.000 1.048 552 N HN 0.162 nan 8.380 nan 0.000 0.490 553 W N 0.585 121.865 121.300 -0.035 0.000 2.007 553 W HA 0.369 5.029 4.660 -0.000 0.000 0.301 553 W C -0.076 176.430 176.519 -0.020 0.000 0.887 553 W CA -0.422 56.901 57.345 -0.038 0.000 1.625 553 W CB 0.231 29.658 29.460 -0.054 0.000 1.078 553 W HN -0.172 nan 8.180 nan 0.000 0.502 554 L N 3.502 124.793 121.223 0.112 0.000 2.376 554 L HA 0.324 4.663 4.340 -0.000 0.000 0.250 554 L C 0.239 177.121 176.870 0.021 0.000 1.335 554 L CA -0.234 54.648 54.840 0.070 0.000 1.214 554 L CB -1.257 40.825 42.059 0.039 0.000 1.395 554 L HN 0.191 nan 8.230 nan 0.000 0.424 555 C N -0.861 118.456 119.300 0.029 0.000 3.231 555 C HA 0.434 4.894 4.460 -0.000 0.000 0.343 555 C C -0.325 174.661 174.990 -0.007 0.000 1.349 555 C CA -1.181 57.828 59.018 -0.015 0.000 1.209 555 C CB 1.234 28.997 27.740 0.039 0.000 1.475 555 C HN 0.469 nan 8.230 nan 0.000 0.460 556 H N 1.336 120.483 119.070 0.129 0.000 2.505 556 H HA 0.586 5.142 4.556 -0.000 0.000 0.351 556 H C 0.509 175.947 175.328 0.184 0.000 1.151 556 H CA 0.859 56.982 56.048 0.126 0.000 1.339 556 H CB 1.832 31.635 29.762 0.068 0.000 1.483 556 H HN 0.951 nan 8.280 nan 0.000 0.558 557 S N 2.277 118.172 115.700 0.326 0.000 2.525 557 S HA 0.452 4.922 4.470 -0.000 0.000 0.290 557 S C -0.503 174.205 174.600 0.181 0.000 1.152 557 S CA -0.892 57.508 58.200 0.334 0.000 1.072 557 S CB 1.357 64.802 63.200 0.409 0.000 1.027 557 S HN 0.363 nan 8.310 nan 0.000 0.500 558 L N 3.359 124.641 121.223 0.098 0.000 2.376 558 L HA 0.499 4.839 4.340 -0.000 0.000 0.275 558 L C -1.430 175.440 176.870 -0.001 0.000 0.987 558 L CA -0.782 54.080 54.840 0.036 0.000 0.828 558 L CB 1.576 43.638 42.059 0.005 0.000 1.249 558 L HN 0.863 nan 8.230 nan 0.000 0.409 559 Y N 5.750 126.000 120.300 -0.083 0.000 2.383 559 Y HA 0.569 5.119 4.550 -0.000 0.000 0.344 559 Y C -1.026 174.834 175.900 -0.065 0.000 0.986 559 Y CA -0.571 57.473 58.100 -0.092 0.000 1.175 559 Y CB 0.679 39.098 38.460 -0.067 0.000 1.152 559 Y HN 0.523 nan 8.280 nan 0.000 0.511 560 L N 9.999 130.863 121.223 -0.597 0.000 2.255 560 L HA 0.326 4.666 4.340 -0.000 0.000 0.289 560 L C -1.734 174.739 176.870 -0.662 0.000 1.046 560 L CA -1.824 52.728 54.840 -0.479 0.000 0.816 560 L CB 1.141 43.029 42.059 -0.285 0.000 1.197 560 L HN 0.561 nan 8.230 nan 0.000 0.427 561 P HA -0.117 nan 4.420 nan 0.000 0.219 561 P C 0.986 178.181 177.300 -0.175 0.000 1.150 561 P CA 1.080 63.994 63.100 -0.311 0.000 0.814 561 P CB 0.364 32.015 31.700 -0.081 0.000 0.787 562 E N -0.154 119.958 120.200 -0.147 0.000 2.072 562 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 562 E C 1.654 178.205 176.600 -0.082 0.000 0.985 562 E CA 1.690 58.036 56.400 -0.090 0.000 0.801 562 E CB -0.373 29.281 29.700 -0.076 0.000 0.750 562 E HN 0.331 nan 8.360 nan 0.000 0.452 563 S N -0.007 115.626 115.700 -0.112 0.000 2.556 563 S HA 0.088 4.558 4.470 -0.000 0.000 0.216 563 S C 0.200 174.755 174.600 -0.074 0.000 0.970 563 S CA -0.224 57.928 58.200 -0.080 0.000 0.912 563 S CB 0.086 63.238 63.200 -0.081 0.000 0.790 563 S HN 0.164 nan 8.310 nan 0.000 0.504 564 E N 1.606 121.728 120.200 -0.131 0.000 2.238 564 E HA -0.193 4.157 4.350 -0.000 0.000 0.219 564 E C -0.124 176.464 176.600 -0.020 0.000 1.275 564 E CA 0.649 57.019 56.400 -0.050 0.000 0.714 564 E CB -1.870 27.949 29.700 0.198 0.000 1.154 564 E HN 0.833 nan 8.360 nan 0.000 0.363 565 S N -1.263 114.332 115.700 -0.174 0.000 2.704 565 S HA 0.793 5.263 4.470 -0.000 0.000 0.296 565 S C -0.099 174.375 174.600 -0.211 0.000 1.138 565 S CA -1.230 56.900 58.200 -0.116 0.000 0.875 565 S CB 2.108 65.255 63.200 -0.088 0.000 1.151 565 S HN 0.086 nan 8.310 nan 0.000 0.500 566 M N 1.414 120.831 119.600 -0.306 0.000 2.598 566 M HA 0.683 5.163 4.480 -0.000 0.000 0.317 566 M C 0.168 176.145 176.300 -0.538 0.000 1.201 566 M CA -0.302 54.645 55.300 -0.589 0.000 0.971 566 M CB 1.432 33.215 32.600 -1.362 0.000 1.657 566 M HN 1.055 nan 8.290 nan 0.000 0.470 567 T N 0.785 115.096 114.554 -0.405 0.000 2.626 567 T HA 0.666 5.016 4.350 -0.000 0.000 0.299 567 T C -1.467 173.258 174.700 0.041 0.000 1.181 567 T CA -0.721 61.301 62.100 -0.130 0.000 1.053 567 T CB 1.793 70.613 68.868 -0.080 0.000 1.566 567 T HN 0.716 nan 8.240 nan 0.000 0.486 568 R N 0.647 121.199 120.500 0.086 0.000 2.854 568 R HA 0.723 5.063 4.340 -0.000 0.000 0.271 568 R C -0.802 175.550 176.300 0.086 0.000 0.994 568 R CA -1.027 55.152 56.100 0.132 0.000 0.945 568 R CB 2.057 32.415 30.300 0.096 0.000 1.194 568 R HN 0.489 nan 8.270 nan 0.000 0.476 569 R N 0.253 120.832 120.500 0.131 0.000 2.686 569 R HA 0.349 4.689 4.340 -0.000 0.000 0.286 569 R C -0.546 175.852 176.300 0.163 0.000 0.969 569 R CA -0.629 55.543 56.100 0.121 0.000 0.898 569 R CB 2.566 32.932 30.300 0.110 0.000 1.183 569 R HN 0.591 nan 8.270 nan 0.000 0.456 570 S N 0.908 116.675 115.700 0.112 0.000 2.559 570 S HA 0.028 4.498 4.470 -0.000 0.000 0.282 570 S C 0.136 174.849 174.600 0.188 0.000 1.336 570 S CA -0.377 57.883 58.200 0.100 0.000 1.037 570 S CB 0.642 63.881 63.200 0.065 0.000 0.853 570 S HN 0.235 nan 8.310 nan 0.000 0.523 571 V N 3.944 123.904 119.914 0.077 0.000 2.509 571 V HA 0.206 4.326 4.120 -0.000 0.000 0.284 571 V C 0.691 176.844 176.094 0.098 0.000 1.047 571 V CA -0.870 61.467 62.300 0.062 0.000 0.952 571 V CB 1.225 33.005 31.823 -0.073 0.000 0.988 571 V HN 0.821 nan 8.190 nan 0.000 0.469 572 N N 5.154 123.931 118.700 0.129 0.000 2.497 572 N HA 0.276 5.016 4.740 -0.000 0.000 0.271 572 N C -0.394 175.172 175.510 0.093 0.000 1.142 572 N CA -0.001 53.104 53.050 0.092 0.000 0.965 572 N CB 0.970 39.506 38.487 0.082 0.000 1.077 572 N HN 0.666 nan 8.380 nan 0.000 0.462 573 M N 2.790 122.435 119.600 0.075 0.000 3.404 573 M HA 0.174 4.654 4.480 -0.000 0.000 0.398 573 M C -0.953 175.382 176.300 0.059 0.000 1.599 573 M CA -0.076 55.272 55.300 0.080 0.000 0.696 573 M CB 0.493 33.136 32.600 0.072 0.000 1.427 573 M HN 0.410 nan 8.290 nan 0.000 0.502 574 E N 2.499 122.735 120.200 0.060 0.000 3.132 574 E HA 0.272 4.622 4.350 -0.000 0.000 0.241 574 E C -2.417 174.221 176.600 0.062 0.000 1.196 574 E CA -1.541 54.887 56.400 0.047 0.000 0.869 574 E CB 1.677 31.398 29.700 0.035 0.000 1.387 574 E HN 0.144 nan 8.360 nan 0.000 0.393 575 P HA -0.002 nan 4.420 nan 0.000 0.271 575 P C 0.226 177.578 177.300 0.086 0.000 1.233 575 P CA -0.221 62.942 63.100 0.106 0.000 0.789 575 P CB 1.232 33.007 31.700 0.124 0.000 0.951 576 K N 0.766 121.229 120.400 0.105 0.000 2.334 576 K HA 0.196 4.516 4.320 -0.000 0.000 0.195 576 K C 1.588 178.246 176.600 0.098 0.000 1.045 576 K CA 0.681 57.018 56.287 0.084 0.000 1.004 576 K CB 0.026 32.571 32.500 0.076 0.000 0.837 576 K HN 0.408 nan 8.250 nan 0.000 0.510 577 L N 0.707 122.023 121.223 0.155 0.000 2.664 577 L HA 0.195 4.535 4.340 -0.000 0.000 0.233 577 L C 0.537 177.511 176.870 0.173 0.000 1.113 577 L CA -0.179 54.778 54.840 0.194 0.000 0.896 577 L CB 0.278 42.525 42.059 0.314 0.000 1.163 577 L HN 0.058 nan 8.230 nan 0.000 0.497 578 R N -1.347 119.222 120.500 0.116 0.000 2.712 578 R HA 0.519 4.859 4.340 -0.000 0.000 0.272 578 R C -3.151 173.113 176.300 -0.059 0.000 1.032 578 R CA -1.522 54.583 56.100 0.010 0.000 0.874 578 R CB 0.481 30.764 30.300 -0.028 0.000 1.256 578 R HN -0.350 nan 8.270 nan 0.000 0.468 579 P HA 0.145 nan 4.420 nan 0.000 0.272 579 P C -0.615 176.529 177.300 -0.260 0.000 1.230 579 P CA -0.321 62.686 63.100 -0.155 0.000 0.788 579 P CB 0.650 32.253 31.700 -0.161 0.000 0.949 580 A N 1.745 124.472 122.820 -0.156 0.000 2.483 580 A HA 0.242 4.562 4.320 -0.000 0.000 0.238 580 A C -0.370 177.107 177.584 -0.178 0.000 1.070 580 A CA -0.029 51.940 52.037 -0.114 0.000 0.770 580 A CB -0.759 18.244 19.000 0.005 0.000 1.008 580 A HN 0.380 nan 8.150 nan 0.000 0.497 581 F N 3.651 123.678 119.950 0.128 0.000 2.444 581 F HA 0.308 4.835 4.527 -0.000 0.000 0.360 581 F C -1.424 174.447 175.800 0.119 0.000 1.106 581 F CA -1.809 56.285 58.000 0.157 0.000 1.170 581 F CB 0.617 39.766 39.000 0.248 0.000 1.113 581 F HN 0.371 nan 8.300 nan 0.000 0.521 582 P HA 0.180 nan 4.420 nan 0.000 0.275 582 P C -2.694 174.475 177.300 -0.217 0.000 1.228 582 P CA -1.614 61.493 63.100 0.012 0.000 0.786 582 P CB 0.274 31.968 31.700 -0.009 0.000 0.927 583 P HA 0.134 nan 4.420 nan 0.000 0.268 583 P C -0.161 176.767 177.300 -0.621 0.000 1.204 583 P CA 0.413 62.932 63.100 -0.970 0.000 0.768 583 P CB 0.287 31.709 31.700 -0.463 0.000 0.842 584 K N 1.389 121.380 120.400 -0.682 0.000 2.533 584 K HA 0.493 4.813 4.320 -0.000 0.000 0.284 584 K C -0.875 175.676 176.600 -0.081 0.000 1.025 584 K CA -1.105 55.045 56.287 -0.227 0.000 0.900 584 K CB 0.734 33.172 32.500 -0.102 0.000 1.519 584 K HN 0.067 nan 8.250 nan 0.000 0.432 585 I N 1.743 122.306 120.570 -0.011 0.000 2.710 585 I HA -0.003 4.167 4.170 -0.000 0.000 0.286 585 I C 0.520 176.670 176.117 0.055 0.000 1.181 585 I CA 0.340 61.660 61.300 0.033 0.000 1.430 585 I CB 0.337 38.352 38.000 0.025 0.000 1.367 585 I HN 0.466 nan 8.210 nan 0.000 0.577 586 R N 5.926 126.467 120.500 0.068 0.000 2.287 586 R HA 0.375 4.715 4.340 -0.000 0.000 0.316 586 R C -0.918 175.347 176.300 -0.059 0.000 1.050 586 R CA -0.350 55.756 56.100 0.011 0.000 0.983 586 R CB 0.599 30.946 30.300 0.078 0.000 1.140 586 R HN 0.797 nan 8.270 nan 0.000 0.528 587 T N 0.002 114.482 114.554 -0.124 0.000 2.916 587 T HA 0.470 4.820 4.350 -0.000 0.000 0.292 587 T C -0.732 173.833 174.700 -0.226 0.000 1.055 587 T CA -0.564 61.487 62.100 -0.082 0.000 1.009 587 T CB 1.405 70.286 68.868 0.021 0.000 1.118 587 T HN 0.327 nan 8.240 nan 0.000 0.497 588 Y N 0.000 120.334 120.300 0.057 0.000 2.660 588 Y HA 0.000 4.550 4.550 -0.000 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