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 1nto_1_H DATA FIRST_RESID 1 DATA SEQUENCE MRAVRLVEIG KPLSLQEIGV PKPKGPQVLI KVEAAGVCHS DVHMRQGRFG DATA SEQUENCE NLRIVEDLGV KLPVTLGHEI AGKIEEVGDE VVGYSKGDLV AVNPWQGEGN DATA SEQUENCE CYYCRIGEEH LCDSPRWLGI NFDGAYAEYV IVPHYKYMYK LRRLNAVEAA DATA SEQUENCE PLTCSGITTY RAVRKASLDP TKTLLVVGAG GGLGTMAVQI AKAVSGATII DATA SEQUENCE GVDVREEAVE AAKRAGADYV INASMQDPLA EIRRITESKG VDAVIDLNYS DATA SEQUENCE EKTLSVYPKA LAKQGKYVMV GLFGADLHYH APLITLSEIQ FVGSLVGNQS DATA SEQUENCE DFLGIMRLAE AGKVKPMITK TMKLEEANEA IDNLENFKAI GRQVLIP 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 0.000 176.349 176.300 0.082 0.000 1.140 1 M CA 0.000 55.374 55.300 0.123 0.000 0.988 1 M CB 0.000 32.739 32.600 0.232 0.000 1.302 2 R N 1.105 121.645 120.500 0.067 0.000 2.490 2 R HA 0.875 5.215 4.340 -0.000 0.000 0.278 2 R C -0.683 175.648 176.300 0.053 0.000 1.069 2 R CA -0.430 55.697 56.100 0.045 0.000 1.080 2 R CB 1.423 31.737 30.300 0.024 0.000 1.030 2 R HN 0.819 nan 8.270 nan 0.000 0.491 3 A N 1.955 124.806 122.820 0.052 0.000 2.465 3 A HA 0.377 4.697 4.320 -0.000 0.000 0.292 3 A C -0.979 176.650 177.584 0.075 0.000 1.041 3 A CA -0.734 51.345 52.037 0.070 0.000 0.718 3 A CB 1.632 20.673 19.000 0.069 0.000 1.266 3 A HN 0.401 nan 8.150 nan 0.000 0.403 4 V N 3.450 123.433 119.914 0.114 0.000 2.406 4 V HA 0.537 4.656 4.120 -0.000 0.000 0.272 4 V C 0.247 176.437 176.094 0.159 0.000 1.043 4 V CA -0.134 62.243 62.300 0.130 0.000 0.915 4 V CB 0.751 32.659 31.823 0.142 0.000 0.988 4 V HN 0.904 nan 8.190 nan 0.000 0.466 5 R N 3.909 124.469 120.500 0.100 0.000 2.744 5 R HA 0.590 4.930 4.340 -0.000 0.000 0.279 5 R C -1.243 175.091 176.300 0.056 0.000 0.977 5 R CA -1.139 55.001 56.100 0.067 0.000 0.906 5 R CB 2.205 32.529 30.300 0.040 0.000 1.197 5 R HN 0.518 nan 8.270 nan 0.000 0.463 6 L N 2.997 124.243 121.223 0.038 0.000 2.334 6 L HA 0.159 4.499 4.340 -0.000 0.000 0.286 6 L C 0.115 176.999 176.870 0.023 0.000 1.108 6 L CA 0.328 55.189 54.840 0.035 0.000 0.875 6 L CB 1.043 43.121 42.059 0.032 0.000 1.246 6 L HN 0.621 nan 8.230 nan 0.000 0.439 7 V N 3.335 123.263 119.914 0.024 0.000 3.174 7 V HA 0.209 4.329 4.120 -0.000 0.000 0.254 7 V C 0.744 176.846 176.094 0.014 0.000 1.120 7 V CA 0.501 62.810 62.300 0.015 0.000 1.114 7 V CB -0.491 31.341 31.823 0.015 0.000 0.756 7 V HN 0.825 nan 8.190 nan 0.000 0.467 8 E N -0.003 120.209 120.200 0.019 0.000 2.321 8 E HA 0.377 4.727 4.350 -0.000 0.000 0.281 8 E C -0.990 175.625 176.600 0.025 0.000 0.910 8 E CA -0.663 55.749 56.400 0.019 0.000 0.770 8 E CB 2.038 31.748 29.700 0.017 0.000 1.225 8 E HN 0.240 nan 8.360 nan 0.000 0.417 9 I N 2.958 123.543 120.570 0.025 0.000 3.045 9 I HA 0.027 4.197 4.170 -0.000 0.000 0.288 9 I C 1.667 177.803 176.117 0.032 0.000 1.238 9 I CA 1.611 62.930 61.300 0.032 0.000 1.396 9 I CB 0.226 38.245 38.000 0.032 0.000 1.355 9 I HN 1.042 nan 8.210 nan 0.000 0.601 10 G N 2.334 111.157 108.800 0.037 0.000 3.639 10 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.224 10 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.224 10 G C 0.684 175.603 174.900 0.032 0.000 1.339 10 G CA 0.589 45.710 45.100 0.035 0.000 0.933 10 G HN 0.932 nan 8.290 nan 0.000 0.568 11 K N 3.673 124.090 120.400 0.028 0.000 2.448 11 K HA 0.578 4.898 4.320 -0.000 0.000 0.278 11 K C -1.026 175.592 176.600 0.030 0.000 1.009 11 K CA -0.409 55.894 56.287 0.026 0.000 0.995 11 K CB -0.675 31.838 32.500 0.023 0.000 0.917 11 K HN 0.658 nan 8.250 nan 0.000 0.481 12 P HA 0.050 nan 4.420 nan 0.000 0.268 12 P C -0.246 177.076 177.300 0.037 0.000 1.208 12 P CA -0.333 62.785 63.100 0.031 0.000 0.777 12 P CB 0.304 32.017 31.700 0.023 0.000 0.875 13 L N 0.711 121.963 121.223 0.050 0.000 2.506 13 L HA 0.079 4.419 4.340 -0.000 0.000 0.281 13 L C 1.282 178.181 176.870 0.048 0.000 1.228 13 L CA 0.435 55.313 54.840 0.063 0.000 0.850 13 L CB -0.213 41.909 42.059 0.105 0.000 1.110 13 L HN 0.439 nan 8.230 nan 0.000 0.496 14 S N 2.427 118.155 115.700 0.047 0.000 2.475 14 S HA 0.456 4.926 4.470 -0.000 0.000 0.298 14 S C -0.656 173.967 174.600 0.039 0.000 1.119 14 S CA -0.835 57.386 58.200 0.035 0.000 1.085 14 S CB 1.311 64.528 63.200 0.028 0.000 1.028 14 S HN 0.418 nan 8.310 nan 0.000 0.489 15 L N 5.479 126.718 121.223 0.028 0.000 2.295 15 L HA 0.445 4.785 4.340 -0.000 0.000 0.288 15 L C -0.025 176.860 176.870 0.024 0.000 1.079 15 L CA 0.574 55.429 54.840 0.026 0.000 0.830 15 L CB 0.209 42.276 42.059 0.014 0.000 1.200 15 L HN 0.776 nan 8.230 nan 0.000 0.438 16 Q N 2.425 122.243 119.800 0.030 0.000 2.286 16 Q HA 0.472 4.812 4.340 -0.000 0.000 0.250 16 Q C -0.800 175.216 176.000 0.028 0.000 1.021 16 Q CA -0.747 55.072 55.803 0.026 0.000 0.930 16 Q CB 1.674 30.427 28.738 0.026 0.000 1.266 16 Q HN 0.491 nan 8.270 nan 0.000 0.491 17 E N 1.623 121.838 120.200 0.025 0.000 2.873 17 E HA 0.259 4.609 4.350 -0.000 0.000 0.232 17 E C -1.253 175.362 176.600 0.025 0.000 1.123 17 E CA -0.244 56.172 56.400 0.027 0.000 0.809 17 E CB -0.082 29.631 29.700 0.022 0.000 1.366 17 E HN 0.537 nan 8.360 nan 0.000 0.400 18 I N -0.722 119.867 120.570 0.031 0.000 3.204 18 I HA 0.870 5.040 4.170 -0.000 0.000 0.313 18 I C 0.760 176.893 176.117 0.025 0.000 1.082 18 I CA -1.398 59.917 61.300 0.024 0.000 1.033 18 I CB 1.329 39.343 38.000 0.023 0.000 1.304 18 I HN 0.342 nan 8.210 nan 0.000 0.536 19 G N 1.016 109.824 108.800 0.013 0.000 2.448 19 G HA2 0.470 4.430 3.960 -0.000 0.000 0.285 19 G HA3 0.470 4.430 3.960 -0.000 0.000 0.285 19 G C -0.484 174.417 174.900 0.000 0.000 1.176 19 G CA -0.555 44.547 45.100 0.003 0.000 0.852 19 G HN 0.491 nan 8.290 nan 0.000 0.530 20 V N 3.527 123.423 119.914 -0.029 0.000 2.387 20 V HA 0.125 4.245 4.120 -0.000 0.000 0.260 20 V C -1.450 174.603 176.094 -0.068 0.000 1.054 20 V CA -1.058 61.201 62.300 -0.068 0.000 0.967 20 V CB 0.379 32.070 31.823 -0.221 0.000 1.036 20 V HN 0.585 nan 8.190 nan 0.000 0.481 21 P HA 0.119 nan 4.420 nan 0.000 0.269 21 P C -0.439 176.837 177.300 -0.040 0.000 1.211 21 P CA -0.330 62.757 63.100 -0.022 0.000 0.781 21 P CB 0.453 32.155 31.700 0.004 0.000 0.877 22 K N 3.116 123.500 120.400 -0.028 0.000 2.240 22 K HA 0.333 4.653 4.320 -0.000 0.000 0.271 22 K C -2.398 174.194 176.600 -0.014 0.000 1.018 22 K CA -2.445 53.823 56.287 -0.031 0.000 0.874 22 K CB 0.125 32.609 32.500 -0.027 0.000 1.098 22 K HN 0.254 nan 8.250 nan 0.000 0.458 23 P HA 0.116 nan 4.420 nan 0.000 0.276 23 P C -1.292 176.007 177.300 -0.002 0.000 1.243 23 P CA -0.160 62.939 63.100 -0.002 0.000 0.768 23 P CB 0.577 32.275 31.700 -0.005 0.000 0.856 24 K N 1.582 121.987 120.400 0.008 0.000 2.395 24 K HA 0.626 4.946 4.320 -0.000 0.000 0.247 24 K C 0.559 177.168 176.600 0.016 0.000 0.973 24 K CA -0.448 55.845 56.287 0.009 0.000 0.828 24 K CB 1.418 33.926 32.500 0.013 0.000 1.272 24 K HN 0.506 nan 8.250 nan 0.000 0.439 25 G N 2.057 110.866 108.800 0.015 0.000 2.660 25 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.321 25 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.321 25 G C -1.393 173.520 174.900 0.022 0.000 1.246 25 G CA 0.359 45.474 45.100 0.025 0.000 1.000 25 G HN 0.634 nan 8.290 nan 0.000 0.550 26 P HA 0.110 nan 4.420 nan 0.000 0.249 26 P C 0.441 177.737 177.300 -0.008 0.000 1.229 26 P CA 0.479 63.577 63.100 -0.004 0.000 0.788 26 P CB 0.087 31.627 31.700 -0.266 0.000 1.072 27 Q N 0.023 119.829 119.800 0.010 0.000 2.394 27 Q HA 0.379 4.719 4.340 -0.000 0.000 0.248 27 Q C -0.393 175.615 176.000 0.014 0.000 0.992 27 Q CA -0.176 55.640 55.803 0.022 0.000 0.888 27 Q CB 1.392 30.148 28.738 0.031 0.000 1.257 27 Q HN -0.079 nan 8.270 nan 0.000 0.462 28 V N 2.452 122.374 119.914 0.015 0.000 2.709 28 V HA 0.285 4.405 4.120 -0.000 0.000 0.308 28 V C -1.014 175.091 176.094 0.018 0.000 1.062 28 V CA -0.853 61.447 62.300 0.001 0.000 0.901 28 V CB 1.838 33.643 31.823 -0.029 0.000 1.003 28 V HN 0.540 nan 8.190 nan 0.000 0.425 29 L N 6.015 127.253 121.223 0.025 0.000 2.264 29 L HA 0.579 4.919 4.340 -0.000 0.000 0.289 29 L C -0.612 176.314 176.870 0.094 0.000 1.044 29 L CA 0.213 55.086 54.840 0.054 0.000 0.807 29 L CB 0.794 42.868 42.059 0.026 0.000 1.192 29 L HN 0.410 nan 8.230 nan 0.000 0.425 30 I N 4.922 125.563 120.570 0.117 0.000 2.354 30 I HA 0.281 4.451 4.170 -0.000 0.000 0.292 30 I C 0.137 176.344 176.117 0.149 0.000 0.989 30 I CA -0.616 60.749 61.300 0.108 0.000 1.188 30 I CB 1.443 39.474 38.000 0.053 0.000 1.342 30 I HN 0.627 nan 8.210 nan 0.000 0.457 31 K N 5.981 126.448 120.400 0.112 0.000 2.292 31 K HA 0.301 4.621 4.320 -0.000 0.000 0.290 31 K C -0.672 175.852 176.600 -0.128 0.000 1.083 31 K CA -0.388 55.832 56.287 -0.111 0.000 0.918 31 K CB 0.532 32.988 32.500 -0.073 0.000 1.089 31 K HN 0.391 nan 8.250 nan 0.000 0.473 32 V N 5.299 125.114 119.914 -0.166 0.000 2.458 32 V HA -0.042 4.078 4.120 -0.000 0.000 0.287 32 V C 0.880 176.917 176.094 -0.094 0.000 1.009 32 V CA 0.629 62.873 62.300 -0.093 0.000 1.091 32 V CB 0.652 32.433 31.823 -0.071 0.000 0.960 32 V HN 0.891 nan 8.190 nan 0.000 0.476 33 E N 3.249 123.417 120.200 -0.053 0.000 2.489 33 E HA 0.476 4.826 4.350 -0.000 0.000 0.204 33 E C 0.412 176.992 176.600 -0.034 0.000 1.006 33 E CA 0.425 56.798 56.400 -0.045 0.000 0.936 33 E CB 1.104 30.789 29.700 -0.025 0.000 1.002 33 E HN 0.785 nan 8.360 nan 0.000 0.488 34 A N 1.145 123.949 122.820 -0.027 0.000 2.518 34 A HA 0.622 4.942 4.320 -0.000 0.000 0.295 34 A C -1.470 176.104 177.584 -0.016 0.000 1.052 34 A CA -0.442 51.581 52.037 -0.023 0.000 0.824 34 A CB 1.252 20.245 19.000 -0.012 0.000 1.325 34 A HN 0.060 nan 8.150 nan 0.000 0.394 35 A N 1.988 124.797 122.820 -0.019 0.000 2.323 35 A HA 0.737 5.057 4.320 -0.000 0.000 0.305 35 A C 0.545 178.126 177.584 -0.004 0.000 1.275 35 A CA 0.138 52.181 52.037 0.010 0.000 0.804 35 A CB 0.338 19.384 19.000 0.076 0.000 1.152 35 A HN 2.066 nan 8.150 nan 0.000 0.487 36 G N 0.558 109.347 108.800 -0.019 0.000 2.544 36 G HA2 0.480 4.440 3.960 -0.000 0.000 0.242 36 G HA3 0.480 4.440 3.960 -0.000 0.000 0.242 36 G C -0.454 174.441 174.900 -0.010 0.000 1.247 36 G CA -0.077 45.008 45.100 -0.024 0.000 0.840 36 G HN 0.887 nan 8.290 nan 0.000 0.578 37 V N 1.170 121.088 119.914 0.006 0.000 2.531 37 V HA 0.518 4.638 4.120 -0.000 0.000 0.301 37 V C 0.396 176.521 176.094 0.052 0.000 1.034 37 V CA -0.766 61.567 62.300 0.054 0.000 0.865 37 V CB 0.779 32.612 31.823 0.017 0.000 0.995 37 V HN 1.236 nan 8.190 nan 0.000 0.424 38 C N 2.051 121.413 119.300 0.103 0.000 3.161 38 C HA 0.629 5.089 4.460 -0.000 0.000 0.330 38 C C 1.724 176.771 174.990 0.095 0.000 1.396 38 C CA -0.460 58.628 59.018 0.117 0.000 1.536 38 C CB 1.308 29.161 27.740 0.189 0.000 1.978 38 C HN 0.931 nan 8.230 nan 0.000 0.454 39 H N 1.068 120.122 119.070 -0.028 0.000 2.390 39 H HA -0.072 4.484 4.556 -0.000 0.000 0.298 39 H C 2.143 177.421 175.328 -0.082 0.000 1.106 39 H CA 2.812 58.783 56.048 -0.129 0.000 1.297 39 H CB -0.023 29.639 29.762 -0.167 0.000 1.375 39 H HN 0.728 nan 8.280 nan 0.000 0.509 40 S N 0.009 115.775 115.700 0.109 0.000 2.389 40 S HA -0.213 4.257 4.470 -0.000 0.000 0.231 40 S C 1.598 176.266 174.600 0.113 0.000 1.052 40 S CA 1.582 59.847 58.200 0.108 0.000 1.053 40 S CB -0.270 63.030 63.200 0.166 0.000 0.886 40 S HN 0.580 nan 8.310 nan 0.000 0.456 41 D N 0.556 121.042 120.400 0.143 0.000 2.310 41 D HA -0.015 4.625 4.640 -0.000 0.000 0.212 41 D C 1.874 178.176 176.300 0.003 0.000 0.965 41 D CA 0.430 54.507 54.000 0.128 0.000 0.879 41 D CB -0.182 40.726 40.800 0.179 0.000 0.921 41 D HN 0.249 nan 8.370 nan 0.000 0.510 42 V N 1.099 120.900 119.914 -0.189 0.000 2.239 42 V HA -0.192 3.928 4.120 -0.000 0.000 0.242 42 V C 2.024 178.009 176.094 -0.181 0.000 1.038 42 V CA 1.353 63.466 62.300 -0.312 0.000 1.002 42 V CB -0.511 30.860 31.823 -0.753 0.000 0.641 42 V HN 0.266 nan 8.190 nan 0.000 0.449 43 H N -1.200 117.808 119.070 -0.104 0.000 2.560 43 H HA -0.052 4.503 4.556 -0.000 0.000 0.283 43 H C 1.883 177.236 175.328 0.041 0.000 1.028 43 H CA 1.449 57.486 56.048 -0.019 0.000 1.221 43 H CB -0.134 29.620 29.762 -0.013 0.000 1.363 43 H HN 0.376 nan 8.280 nan 0.000 0.594 44 M N 0.213 119.904 119.600 0.151 0.000 2.357 44 M HA 0.028 4.508 4.480 -0.000 0.000 0.266 44 M C 2.174 178.546 176.300 0.119 0.000 1.095 44 M CA 1.112 56.518 55.300 0.178 0.000 1.156 44 M CB 0.162 32.886 32.600 0.205 0.000 1.365 44 M HN -0.090 nan 8.290 nan 0.000 0.447 45 R N 0.127 120.677 120.500 0.083 0.000 2.328 45 R HA -0.065 4.275 4.340 -0.000 0.000 0.207 45 R C 0.394 176.733 176.300 0.065 0.000 1.056 45 R CA 1.026 57.166 56.100 0.067 0.000 1.016 45 R CB -0.066 30.264 30.300 0.051 0.000 0.872 45 R HN 0.535 nan 8.270 nan 0.000 0.471 46 Q N -0.932 118.917 119.800 0.081 0.000 2.268 46 Q HA 0.199 4.539 4.340 -0.000 0.000 0.289 46 Q C 0.527 176.576 176.000 0.081 0.000 0.893 46 Q CA 0.240 56.090 55.803 0.079 0.000 1.057 46 Q CB 1.273 30.068 28.738 0.094 0.000 1.173 46 Q HN 0.473 nan 8.270 nan 0.000 0.449 47 G N 0.639 109.487 108.800 0.081 0.000 2.216 47 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.269 47 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.269 47 G C 0.406 175.367 174.900 0.101 0.000 0.981 47 G CA 0.776 45.923 45.100 0.078 0.000 0.658 47 G HN 0.271 nan 8.290 nan 0.000 0.539 48 R N -1.694 118.882 120.500 0.127 0.000 2.856 48 R HA 0.764 5.104 4.340 -0.000 0.000 0.258 48 R C -0.709 175.745 176.300 0.256 0.000 1.066 48 R CA -0.204 55.985 56.100 0.149 0.000 1.045 48 R CB 1.229 31.583 30.300 0.089 0.000 1.178 48 R HN 0.638 nan 8.270 nan 0.000 0.499 49 F N 0.013 120.008 119.950 0.076 0.000 2.794 49 F HA 0.485 5.012 4.527 -0.000 0.000 0.353 49 F C 0.793 176.643 175.800 0.083 0.000 1.371 49 F CA 0.610 58.677 58.000 0.112 0.000 1.173 49 F CB 0.639 39.727 39.000 0.146 0.000 1.693 49 F HN 0.856 nan 8.300 nan 0.000 0.606 50 G N 3.237 111.960 108.800 -0.129 0.000 2.490 50 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.214 50 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.214 50 G C 0.523 175.377 174.900 -0.076 0.000 1.151 50 G CA 0.666 45.682 45.100 -0.141 0.000 0.684 50 G HN 1.207 nan 8.290 nan 0.000 0.518 51 N N -1.796 116.903 118.700 -0.001 0.000 1.939 51 N HA 0.187 4.926 4.740 -0.000 0.000 0.256 51 N C 0.242 175.769 175.510 0.029 0.000 1.436 51 N CA 0.378 53.424 53.050 -0.006 0.000 0.819 51 N CB -0.110 38.362 38.487 -0.024 0.000 1.258 51 N HN 0.597 nan 8.380 nan 0.000 0.663 52 L N 0.894 122.162 121.223 0.075 0.000 2.490 52 L HA 0.551 4.890 4.340 -0.000 0.000 0.245 52 L C 0.421 177.336 176.870 0.074 0.000 1.185 52 L CA -0.314 54.568 54.840 0.069 0.000 0.813 52 L CB 0.410 42.521 42.059 0.085 0.000 1.233 52 L HN 0.058 nan 8.230 nan 0.000 0.489 53 R N 0.398 120.925 120.500 0.045 0.000 2.439 53 R HA 0.358 4.698 4.340 -0.000 0.000 0.310 53 R C 1.069 177.384 176.300 0.025 0.000 0.955 53 R CA -0.406 55.719 56.100 0.041 0.000 0.853 53 R CB 1.165 31.477 30.300 0.020 0.000 1.171 53 R HN 0.654 nan 8.270 nan 0.000 0.449 54 I N -0.259 120.335 120.570 0.040 0.000 2.335 54 I HA -0.236 3.934 4.170 -0.000 0.000 0.251 54 I C 1.153 177.260 176.117 -0.017 0.000 1.129 54 I CA 1.268 62.574 61.300 0.009 0.000 1.402 54 I CB -0.324 37.695 38.000 0.032 0.000 1.069 54 I HN 0.256 nan 8.210 nan 0.000 0.424 55 V N 1.411 121.321 119.914 -0.008 0.000 2.256 55 V HA -0.140 3.980 4.120 -0.000 0.000 0.240 55 V C 2.566 178.644 176.094 -0.025 0.000 1.036 55 V CA 1.958 64.247 62.300 -0.019 0.000 1.008 55 V CB -0.712 31.105 31.823 -0.011 0.000 0.648 55 V HN 0.301 nan 8.190 nan 0.000 0.453 56 E N 0.427 120.617 120.200 -0.017 0.000 2.072 56 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 56 E C 1.930 178.513 176.600 -0.029 0.000 0.982 56 E CA 1.401 57.789 56.400 -0.020 0.000 0.803 56 E CB -0.246 29.447 29.700 -0.012 0.000 0.755 56 E HN 0.602 nan 8.360 nan 0.000 0.453 57 D N -0.610 119.771 120.400 -0.032 0.000 2.269 57 D HA 0.001 4.641 4.640 -0.000 0.000 0.220 57 D C 1.307 177.559 176.300 -0.080 0.000 0.962 57 D CA 0.597 54.567 54.000 -0.049 0.000 0.884 57 D CB 0.124 40.900 40.800 -0.039 0.000 1.023 57 D HN 0.096 nan 8.370 nan 0.000 0.484 58 L N 0.059 121.228 121.223 -0.089 0.000 2.592 58 L HA 0.287 4.627 4.340 -0.000 0.000 0.227 58 L C 1.289 178.107 176.870 -0.086 0.000 1.127 58 L CA 0.266 55.030 54.840 -0.128 0.000 0.884 58 L CB -0.278 41.683 42.059 -0.163 0.000 1.065 58 L HN 0.087 nan 8.230 nan 0.000 0.457 59 G N 0.095 108.855 108.800 -0.067 0.000 2.246 59 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.273 59 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.273 59 G C 0.200 175.051 174.900 -0.082 0.000 1.055 59 G CA 0.192 45.253 45.100 -0.065 0.000 0.851 59 G HN 0.124 nan 8.290 nan 0.000 0.500 60 V N 0.332 120.205 119.914 -0.069 0.000 2.508 60 V HA 0.377 4.497 4.120 -0.000 0.000 0.281 60 V C 0.808 176.859 176.094 -0.071 0.000 1.041 60 V CA 0.279 62.533 62.300 -0.076 0.000 1.016 60 V CB 1.526 33.322 31.823 -0.044 0.000 0.984 60 V HN 0.450 nan 8.190 nan 0.000 0.478 61 K N 6.359 126.703 120.400 -0.093 0.000 2.296 61 K HA 0.386 4.706 4.320 -0.000 0.000 0.257 61 K C -0.756 175.807 176.600 -0.062 0.000 1.088 61 K CA -0.382 55.861 56.287 -0.074 0.000 0.980 61 K CB -0.051 32.396 32.500 -0.089 0.000 1.430 61 K HN 0.394 nan 8.250 nan 0.000 0.441 62 L N 5.118 126.317 121.223 -0.040 0.000 2.529 62 L HA 0.163 4.503 4.340 -0.000 0.000 0.287 62 L C -1.653 175.202 176.870 -0.026 0.000 1.241 62 L CA -0.523 54.300 54.840 -0.027 0.000 0.857 62 L CB -0.422 41.629 42.059 -0.013 0.000 1.113 62 L HN 0.634 nan 8.230 nan 0.000 0.504 63 P HA 0.214 nan 4.420 nan 0.000 0.282 63 P C -1.173 176.114 177.300 -0.022 0.000 1.249 63 P CA -0.309 62.784 63.100 -0.012 0.000 0.806 63 P CB 1.864 33.562 31.700 -0.002 0.000 0.984 64 V N 2.377 122.281 119.914 -0.017 0.000 2.588 64 V HA 0.288 4.408 4.120 -0.000 0.000 0.304 64 V C -0.339 175.743 176.094 -0.020 0.000 1.042 64 V CA -0.411 61.873 62.300 -0.027 0.000 0.877 64 V CB 2.040 33.843 31.823 -0.033 0.000 0.996 64 V HN 0.588 nan 8.190 nan 0.000 0.425 65 T N 8.210 122.752 114.554 -0.020 0.000 2.799 65 T HA 0.374 4.724 4.350 -0.000 0.000 0.296 65 T C 0.095 174.719 174.700 -0.126 0.000 0.947 65 T CA 0.060 62.145 62.100 -0.026 0.000 1.141 65 T CB 0.423 69.297 68.868 0.010 0.000 0.891 65 T HN 0.426 nan 8.240 nan 0.000 0.533 66 L N 2.215 123.270 121.223 -0.280 0.000 2.470 66 L HA 0.568 4.908 4.340 -0.000 0.000 0.243 66 L C 1.235 177.529 176.870 -0.961 0.000 1.227 66 L CA 0.647 55.128 54.840 -0.600 0.000 0.824 66 L CB -0.039 41.549 42.059 -0.785 0.000 1.175 66 L HN 0.956 nan 8.230 nan 0.000 0.503 67 G N -0.422 107.832 108.800 -0.910 0.000 2.662 67 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.558 67 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.558 67 G C -0.032 174.711 174.900 -0.262 0.000 1.081 67 G CA -0.010 44.772 45.100 -0.530 0.000 1.261 67 G HN 1.025 nan 8.290 nan 0.000 0.559 68 H N -0.214 118.756 119.070 -0.166 0.000 2.586 68 H HA 0.280 4.836 4.556 -0.000 0.000 0.273 68 H C 0.064 175.253 175.328 -0.231 0.000 0.997 68 H CA 0.374 56.259 56.048 -0.272 0.000 1.177 68 H CB 1.072 30.623 29.762 -0.351 0.000 1.471 68 H HN 0.541 nan 8.280 nan 0.000 0.538 69 E N 2.095 122.056 120.200 -0.398 0.000 2.121 69 E HA 0.419 4.769 4.350 -0.000 0.000 0.255 69 E C -0.702 175.840 176.600 -0.097 0.000 0.906 69 E CA -0.331 55.959 56.400 -0.183 0.000 0.745 69 E CB 1.530 31.132 29.700 -0.164 0.000 1.155 69 E HN 0.342 nan 8.360 nan 0.000 0.424 70 I N 2.028 122.554 120.570 -0.074 0.000 2.406 70 I HA 0.669 4.839 4.170 -0.000 0.000 0.290 70 I C -0.292 175.830 176.117 0.007 0.000 0.999 70 I CA -0.845 60.431 61.300 -0.041 0.000 1.124 70 I CB 1.801 39.758 38.000 -0.071 0.000 1.289 70 I HN 0.378 nan 8.210 nan 0.000 0.441 71 A N 4.251 127.081 122.820 0.016 0.000 2.520 71 A HA 0.990 5.310 4.320 -0.000 0.000 0.298 71 A C -0.485 177.113 177.584 0.022 0.000 1.051 71 A CA -0.336 51.724 52.037 0.039 0.000 0.690 71 A CB 1.979 21.008 19.000 0.048 0.000 1.281 71 A HN 0.941 nan 8.150 nan 0.000 0.402 72 G N 0.468 109.288 108.800 0.033 0.000 2.428 72 G HA2 0.516 4.475 3.960 -0.000 0.000 0.304 72 G HA3 0.516 4.475 3.960 -0.000 0.000 0.304 72 G C -1.663 173.258 174.900 0.035 0.000 1.303 72 G CA -0.828 44.282 45.100 0.018 0.000 0.825 72 G HN 0.668 nan 8.290 nan 0.000 0.484 73 K N 0.020 120.437 120.400 0.029 0.000 2.138 73 K HA 0.511 4.831 4.320 -0.000 0.000 0.263 73 K C -0.086 176.550 176.600 0.061 0.000 0.965 73 K CA -0.638 55.677 56.287 0.046 0.000 0.868 73 K CB 2.243 34.766 32.500 0.037 0.000 1.083 73 K HN 0.335 nan 8.250 nan 0.000 0.443 74 I N 2.921 123.531 120.570 0.067 0.000 2.587 74 I HA -0.103 4.067 4.170 -0.000 0.000 0.284 74 I C 1.403 177.566 176.117 0.076 0.000 1.134 74 I CA 0.380 61.721 61.300 0.067 0.000 1.410 74 I CB 0.633 38.672 38.000 0.065 0.000 1.392 74 I HN 0.743 nan 8.210 nan 0.000 0.545 75 E N 4.596 124.855 120.200 0.098 0.000 2.127 75 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 75 E C -0.050 176.581 176.600 0.050 0.000 0.964 75 E CA 0.964 57.431 56.400 0.112 0.000 0.832 75 E CB 0.451 30.276 29.700 0.209 0.000 0.790 75 E HN 0.587 nan 8.360 nan 0.000 0.465 76 E N -0.734 119.485 120.200 0.032 0.000 2.378 76 E HA 0.359 4.709 4.350 -0.000 0.000 0.283 76 E C -1.653 174.947 176.600 -0.001 0.000 0.979 76 E CA -0.633 55.770 56.400 0.005 0.000 0.795 76 E CB 1.718 31.407 29.700 -0.018 0.000 1.221 76 E HN 0.019 nan 8.360 nan 0.000 0.428 77 V N 1.060 120.967 119.914 -0.011 0.000 2.715 77 V HA 1.011 5.131 4.120 -0.000 0.000 0.310 77 V C 0.678 176.753 176.094 -0.032 0.000 1.054 77 V CA -0.130 62.154 62.300 -0.026 0.000 0.928 77 V CB 1.533 33.331 31.823 -0.041 0.000 1.007 77 V HN 0.703 nan 8.190 nan 0.000 0.437 78 G N 2.134 110.914 108.800 -0.033 0.000 2.667 78 G HA2 0.198 4.158 3.960 -0.000 0.000 0.250 78 G HA3 0.198 4.158 3.960 -0.000 0.000 0.250 78 G C 0.615 175.491 174.900 -0.040 0.000 1.212 78 G CA 0.385 45.469 45.100 -0.026 0.000 0.874 78 G HN 1.058 nan 8.290 nan 0.000 0.561 79 D N -0.883 119.502 120.400 -0.025 0.000 2.309 79 D HA -0.122 4.518 4.640 -0.000 0.000 0.212 79 D C 1.349 177.630 176.300 -0.032 0.000 0.968 79 D CA 1.094 55.078 54.000 -0.026 0.000 0.882 79 D CB 0.092 40.885 40.800 -0.012 0.000 0.918 79 D HN 0.640 nan 8.370 nan 0.000 0.503 80 E N 0.096 120.280 120.200 -0.027 0.000 2.472 80 E HA 0.111 4.461 4.350 -0.000 0.000 0.196 80 E C 0.212 176.752 176.600 -0.100 0.000 1.033 80 E CA -0.256 56.138 56.400 -0.010 0.000 0.886 80 E CB 1.092 30.825 29.700 0.055 0.000 0.944 80 E HN 0.045 nan 8.360 nan 0.000 0.492 81 V N 1.830 121.604 119.914 -0.233 0.000 2.763 81 V HA 0.021 4.141 4.120 -0.000 0.000 0.306 81 V C 0.189 175.930 176.094 -0.588 0.000 1.059 81 V CA 0.175 62.080 62.300 -0.657 0.000 1.138 81 V CB 1.173 32.759 31.823 -0.396 0.000 0.940 81 V HN -0.107 nan 8.190 nan 0.000 0.489 82 V N 2.873 122.244 119.914 -0.905 0.000 2.841 82 V HA 0.789 4.909 4.120 -0.000 0.000 0.310 82 V C 0.772 176.743 176.094 -0.205 0.000 1.090 82 V CA 0.234 62.319 62.300 -0.358 0.000 0.930 82 V CB 1.359 33.092 31.823 -0.152 0.000 1.014 82 V HN 1.112 nan 8.190 nan 0.000 0.425 83 G N 2.599 111.304 108.800 -0.159 0.000 2.162 83 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 83 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 83 G C -0.453 174.117 174.900 -0.550 0.000 0.976 83 G CA 0.702 45.631 45.100 -0.285 0.000 0.655 83 G HN 0.739 nan 8.290 nan 0.000 0.533 84 Y N -0.201 120.033 120.300 -0.111 0.000 2.534 84 Y HA 0.706 5.256 4.550 -0.000 0.000 0.345 84 Y C 0.289 176.145 175.900 -0.073 0.000 1.031 84 Y CA -0.634 57.423 58.100 -0.071 0.000 1.022 84 Y CB 2.219 40.652 38.460 -0.046 0.000 1.292 84 Y HN 0.161 nan 8.280 nan 0.000 0.459 85 S N 0.805 116.566 115.700 0.102 0.000 2.632 85 S HA 0.469 4.939 4.470 -0.000 0.000 0.289 85 S C -1.122 173.512 174.600 0.057 0.000 1.115 85 S CA -1.336 56.892 58.200 0.047 0.000 0.889 85 S CB 1.577 64.783 63.200 0.010 0.000 1.116 85 S HN 0.434 nan 8.310 nan 0.000 0.486 86 K N 0.718 121.139 120.400 0.035 0.000 2.527 86 K HA 0.288 4.607 4.320 -0.000 0.000 0.278 86 K C 1.250 177.874 176.600 0.040 0.000 0.981 86 K CA 1.107 57.417 56.287 0.038 0.000 1.009 86 K CB -0.082 32.434 32.500 0.026 0.000 0.895 86 K HN 0.972 nan 8.250 nan 0.000 0.493 87 G N 2.145 110.973 108.800 0.048 0.000 2.268 87 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.240 87 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.240 87 G C -0.250 174.679 174.900 0.049 0.000 1.010 87 G CA -0.053 45.072 45.100 0.042 0.000 0.618 87 G HN 0.687 nan 8.290 nan 0.000 0.516 88 D N 0.920 121.359 120.400 0.064 0.000 2.493 88 D HA 0.306 4.946 4.640 -0.000 0.000 0.240 88 D C 0.568 176.919 176.300 0.085 0.000 1.142 88 D CA 0.062 54.111 54.000 0.082 0.000 0.872 88 D CB 1.253 42.135 40.800 0.138 0.000 1.173 88 D HN 0.331 nan 8.370 nan 0.000 0.467 89 L N 4.201 125.469 121.223 0.075 0.000 2.290 89 L HA 0.297 4.637 4.340 -0.000 0.000 0.284 89 L C -0.445 176.490 176.870 0.109 0.000 1.078 89 L CA -0.265 54.620 54.840 0.076 0.000 0.815 89 L CB 1.005 43.099 42.059 0.059 0.000 1.162 89 L HN 0.218 nan 8.230 nan 0.000 0.435 90 V N 2.439 122.422 119.914 0.116 0.000 3.078 90 V HA 1.022 5.142 4.120 -0.000 0.000 0.311 90 V C -0.307 175.883 176.094 0.159 0.000 1.138 90 V CA -0.423 61.973 62.300 0.160 0.000 1.007 90 V CB 1.129 33.040 31.823 0.147 0.000 1.045 90 V HN 1.028 nan 8.190 nan 0.000 0.432 91 A N 1.862 124.826 122.820 0.239 0.000 2.299 91 A HA 0.980 5.300 4.320 -0.000 0.000 0.332 91 A C -0.671 177.112 177.584 0.331 0.000 1.131 91 A CA -0.812 51.377 52.037 0.255 0.000 0.844 91 A CB 1.850 21.017 19.000 0.279 0.000 1.251 91 A HN 1.537 nan 8.150 nan 0.000 0.486 92 V N 1.612 121.648 119.914 0.204 0.000 2.638 92 V HA 0.309 4.429 4.120 -0.000 0.000 0.306 92 V C -0.473 175.401 176.094 -0.366 0.000 1.052 92 V CA -0.990 61.308 62.300 -0.003 0.000 0.885 92 V CB 1.870 33.651 31.823 -0.070 0.000 0.999 92 V HN 0.900 nan 8.190 nan 0.000 0.424 93 N N 6.694 124.936 118.700 -0.764 0.000 2.411 93 N HA 0.280 5.020 4.740 -0.000 0.000 0.259 93 N C -1.471 173.606 175.510 -0.722 0.000 1.103 93 N CA -1.957 50.476 53.050 -1.028 0.000 0.954 93 N CB 1.720 39.603 38.487 -1.006 0.000 1.085 93 N HN 0.361 nan 8.380 nan 0.000 0.485 94 P HA 0.056 nan 4.420 nan 0.000 0.240 94 P C -0.373 176.275 177.300 -1.087 0.000 1.190 94 P CA 0.366 62.857 63.100 -1.016 0.000 0.781 94 P CB -0.072 30.933 31.700 -1.159 0.000 0.931 95 W N 2.212 123.217 121.300 -0.491 0.000 1.664 95 W HA 0.343 5.003 4.660 -0.000 0.000 0.428 95 W C 0.221 176.604 176.519 -0.227 0.000 0.726 95 W CA -0.813 56.215 57.345 -0.528 0.000 1.774 95 W CB -0.277 28.897 29.460 -0.475 0.000 1.801 95 W HN -0.015 nan 8.180 nan 0.000 0.243 96 Q N 1.034 120.743 119.800 -0.152 0.000 2.214 96 Q HA 0.704 5.044 4.340 -0.000 0.000 0.251 96 Q C 0.516 176.491 176.000 -0.040 0.000 0.936 96 Q CA -0.693 54.891 55.803 -0.365 0.000 0.894 96 Q CB 2.007 30.139 28.738 -1.009 0.000 1.252 96 Q HN 0.405 nan 8.270 nan 0.000 0.448 97 G N 0.268 109.094 108.800 0.043 0.000 2.644 97 G HA2 0.336 4.295 3.960 -0.000 0.000 0.307 97 G HA3 0.336 4.295 3.960 -0.000 0.000 0.307 97 G C -0.122 174.811 174.900 0.055 0.000 1.250 97 G CA -0.653 44.496 45.100 0.082 0.000 0.996 97 G HN 0.698 nan 8.290 nan 0.000 0.489 98 E N -1.493 118.733 120.200 0.044 0.000 2.400 98 E HA 0.318 4.668 4.350 -0.000 0.000 0.195 98 E C 1.554 178.178 176.600 0.039 0.000 1.012 98 E CA 0.836 57.258 56.400 0.037 0.000 0.875 98 E CB 0.384 30.104 29.700 0.034 0.000 0.859 98 E HN 1.338 nan 8.360 nan 0.000 0.498 99 G N 0.755 109.581 108.800 0.043 0.000 2.308 99 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.221 99 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.221 99 G C 1.282 176.192 174.900 0.016 0.000 1.032 99 G CA 0.252 45.364 45.100 0.021 0.000 0.623 99 G HN 0.351 nan 8.290 nan 0.000 0.506 100 N N 0.535 119.251 118.700 0.027 0.000 2.333 100 N HA 0.088 4.828 4.740 -0.000 0.000 0.178 100 N C 1.734 177.265 175.510 0.034 0.000 1.018 100 N CA 1.369 54.434 53.050 0.025 0.000 0.882 100 N CB -0.243 38.261 38.487 0.028 0.000 0.984 100 N HN 1.089 nan 8.380 nan 0.000 0.434 101 C N -0.598 118.736 119.300 0.057 0.000 2.649 101 C HA 0.187 4.647 4.460 -0.000 0.000 0.377 101 C C 1.964 176.996 174.990 0.070 0.000 1.321 101 C CA -1.062 58.011 59.018 0.092 0.000 2.368 101 C CB -0.622 27.205 27.740 0.145 0.000 2.597 101 C HN 0.572 nan 8.230 nan 0.000 0.678 102 Y N 1.268 121.525 120.300 -0.071 0.000 2.102 102 Y HA -0.224 4.326 4.550 -0.000 0.000 0.280 102 Y C 2.092 177.825 175.900 -0.277 0.000 1.178 102 Y CA 2.526 60.492 58.100 -0.224 0.000 1.146 102 Y CB -0.740 37.484 38.460 -0.393 0.000 0.968 102 Y HN 0.791 nan 8.280 nan 0.000 0.504 103 Y N -1.266 119.051 120.300 0.028 0.000 2.242 103 Y HA -0.221 4.329 4.550 -0.000 0.000 0.291 103 Y C 2.863 178.711 175.900 -0.088 0.000 1.137 103 Y CA 1.404 59.467 58.100 -0.061 0.000 1.181 103 Y CB -1.096 37.397 38.460 0.056 0.000 0.989 103 Y HN 0.228 nan 8.280 nan 0.000 0.527 104 C N -0.226 119.119 119.300 0.075 0.000 2.446 104 C HA -0.148 4.312 4.460 -0.000 0.000 0.277 104 C C 2.693 177.660 174.990 -0.039 0.000 1.275 104 C CA 0.792 59.837 59.018 0.044 0.000 1.727 104 C CB -0.950 26.823 27.740 0.055 0.000 2.010 104 C HN 0.489 nan 8.230 nan 0.000 0.486 105 R N 1.122 121.556 120.500 -0.111 0.000 2.120 105 R HA -0.075 4.264 4.340 -0.000 0.000 0.234 105 R C 1.743 177.934 176.300 -0.181 0.000 1.123 105 R CA 1.549 57.565 56.100 -0.139 0.000 0.975 105 R CB -0.392 29.814 30.300 -0.155 0.000 0.866 105 R HN 0.734 nan 8.270 nan 0.000 0.446 106 I N -3.015 117.379 120.570 -0.293 0.000 3.810 106 I HA 0.353 4.523 4.170 -0.000 0.000 0.322 106 I C 0.639 176.698 176.117 -0.096 0.000 1.288 106 I CA 0.419 61.568 61.300 -0.251 0.000 1.143 106 I CB 0.477 38.211 38.000 -0.443 0.000 1.012 106 I HN 0.153 nan 8.210 nan 0.000 0.423 107 G N 1.600 110.376 108.800 -0.040 0.000 2.147 107 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 107 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 107 G C 0.036 175.007 174.900 0.119 0.000 1.005 107 G CA 0.071 45.193 45.100 0.037 0.000 0.713 107 G HN 0.557 nan 8.290 nan 0.000 0.515 108 E N 0.002 120.293 120.200 0.151 0.000 3.269 108 E HA 0.202 4.552 4.350 -0.000 0.000 0.221 108 E C 1.191 177.958 176.600 0.278 0.000 1.113 108 E CA -0.400 56.167 56.400 0.278 0.000 1.385 108 E CB 0.298 30.156 29.700 0.264 0.000 1.345 108 E HN 0.685 nan 8.360 nan 0.000 0.435 109 E N 0.509 120.889 120.200 0.300 0.000 2.209 109 E HA -0.211 4.138 4.350 -0.000 0.000 0.196 109 E C 1.709 178.497 176.600 0.313 0.000 0.993 109 E CA 0.956 57.518 56.400 0.269 0.000 0.819 109 E CB -0.010 29.851 29.700 0.268 0.000 0.745 109 E HN 0.485 nan 8.360 nan 0.000 0.477 110 H N -0.140 119.064 119.070 0.223 0.000 2.518 110 H HA -0.074 4.482 4.556 -0.000 0.000 0.289 110 H C 1.529 177.049 175.328 0.319 0.000 1.051 110 H CA 0.745 56.971 56.048 0.298 0.000 1.280 110 H CB -0.358 29.474 29.762 0.116 0.000 1.380 110 H HN 0.206 nan 8.280 nan 0.000 0.566 111 L N 1.010 122.040 121.223 -0.321 0.000 2.653 111 L HA 0.133 4.473 4.340 -0.000 0.000 0.231 111 L C 0.803 177.546 176.870 -0.211 0.000 1.153 111 L CA -0.564 54.044 54.840 -0.385 0.000 0.933 111 L CB 0.028 41.690 42.059 -0.661 0.000 1.175 111 L HN 0.181 nan 8.230 nan 0.000 0.473 112 C N 1.016 120.326 119.300 0.017 0.000 2.550 112 C HA -0.110 4.349 4.460 -0.000 0.000 0.406 112 C C 1.895 176.876 174.990 -0.015 0.000 1.366 112 C CA -0.081 58.979 59.018 0.071 0.000 1.712 112 C CB 0.256 28.044 27.740 0.080 0.000 2.613 112 C HN 0.481 nan 8.230 nan 0.000 0.608 113 D N 1.528 121.962 120.400 0.056 0.000 2.264 113 D HA 0.001 4.641 4.640 -0.000 0.000 0.208 113 D C 0.801 177.075 176.300 -0.042 0.000 0.966 113 D CA 1.249 55.258 54.000 0.015 0.000 0.864 113 D CB 0.080 40.928 40.800 0.080 0.000 0.933 113 D HN 0.627 nan 8.370 nan 0.000 0.499 114 S N 1.471 117.147 115.700 -0.039 0.000 2.128 114 S HA 0.223 4.692 4.470 -0.000 0.000 0.157 114 S C -2.552 171.994 174.600 -0.090 0.000 1.650 114 S CA -1.077 57.088 58.200 -0.058 0.000 1.269 114 S CB 1.922 65.118 63.200 -0.006 0.000 1.227 114 S HN 0.075 nan 8.310 nan 0.000 0.405 115 P HA 0.121 nan 4.420 nan 0.000 0.267 115 P C -0.793 176.366 177.300 -0.235 0.000 1.200 115 P CA -0.185 62.734 63.100 -0.301 0.000 0.772 115 P CB 0.611 31.791 31.700 -0.867 0.000 0.855 116 R N 2.368 122.737 120.500 -0.219 0.000 2.396 116 R HA 0.245 4.585 4.340 -0.000 0.000 0.292 116 R C -0.852 175.294 176.300 -0.256 0.000 1.240 116 R CA -0.362 55.377 56.100 -0.603 0.000 1.270 116 R CB 0.472 30.162 30.300 -1.016 0.000 1.108 116 R HN 0.489 nan 8.270 nan 0.000 0.573 117 W N 4.418 125.550 121.300 -0.280 0.000 2.311 117 W HA 0.272 4.932 4.660 -0.000 0.000 0.317 117 W C 0.192 176.569 176.519 -0.236 0.000 1.065 117 W CA -1.309 55.883 57.345 -0.255 0.000 1.364 117 W CB 0.281 29.669 29.460 -0.119 0.000 1.233 117 W HN 0.323 nan 8.180 nan 0.000 0.409 118 L N 3.751 124.863 121.223 -0.186 0.000 2.540 118 L HA 0.149 4.489 4.340 -0.000 0.000 0.276 118 L C 1.507 178.317 176.870 -0.099 0.000 1.212 118 L CA 1.230 55.994 54.840 -0.127 0.000 0.893 118 L CB -0.240 41.681 42.059 -0.229 0.000 1.138 118 L HN 0.878 nan 8.230 nan 0.000 0.491 119 G N 2.994 111.783 108.800 -0.018 0.000 2.179 119 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 119 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 119 G C 0.698 175.615 174.900 0.028 0.000 0.977 119 G CA 0.279 45.353 45.100 -0.044 0.000 0.641 119 G HN 0.523 nan 8.290 nan 0.000 0.533 120 I N 0.379 120.996 120.570 0.079 0.000 3.518 120 I HA 0.166 4.336 4.170 -0.000 0.000 0.260 120 I C 1.632 177.797 176.117 0.080 0.000 1.148 120 I CA 1.725 63.084 61.300 0.098 0.000 1.440 120 I CB -0.583 37.498 38.000 0.136 0.000 1.485 120 I HN 0.386 nan 8.210 nan 0.000 0.456 121 N N -0.350 118.436 118.700 0.144 0.000 2.184 121 N HA 0.130 4.870 4.740 -0.000 0.000 0.234 121 N C -0.519 175.072 175.510 0.135 0.000 1.282 121 N CA -0.099 53.015 53.050 0.106 0.000 0.877 121 N CB 0.416 38.941 38.487 0.064 0.000 1.184 121 N HN 0.029 nan 8.380 nan 0.000 0.510 122 F N 0.472 120.398 119.950 -0.039 0.000 2.603 122 F HA 0.399 4.926 4.527 -0.000 0.000 0.317 122 F C -0.118 175.652 175.800 -0.050 0.000 1.066 122 F CA -1.145 56.830 58.000 -0.043 0.000 0.941 122 F CB 1.295 40.267 39.000 -0.048 0.000 1.291 122 F HN -0.252 nan 8.300 nan 0.000 0.472 123 D N 1.158 121.611 120.400 0.087 0.000 2.458 123 D HA 0.331 4.971 4.640 -0.000 0.000 0.243 123 D C 0.431 176.751 176.300 0.033 0.000 1.146 123 D CA 0.556 54.578 54.000 0.037 0.000 0.877 123 D CB 1.088 41.904 40.800 0.028 0.000 1.176 123 D HN 0.688 nan 8.370 nan 0.000 0.461 124 G N 0.407 109.194 108.800 -0.021 0.000 2.782 124 G HA2 0.466 4.426 3.960 -0.000 0.000 0.201 124 G HA3 0.466 4.426 3.960 -0.000 0.000 0.201 124 G C 0.456 175.342 174.900 -0.023 0.000 1.374 124 G CA 0.019 45.084 45.100 -0.059 0.000 1.039 124 G HN 0.427 nan 8.290 nan 0.000 0.576 125 A N -1.517 121.291 122.820 -0.020 0.000 2.275 125 A HA 0.311 4.631 4.320 -0.000 0.000 0.212 125 A C 0.454 178.153 177.584 0.191 0.000 1.201 125 A CA -0.086 51.987 52.037 0.060 0.000 0.843 125 A CB -0.222 18.796 19.000 0.030 0.000 0.873 125 A HN 0.407 nan 8.150 nan 0.000 0.492 126 Y N 0.972 121.254 120.300 -0.031 0.000 3.096 126 Y HA 0.476 5.026 4.550 -0.000 0.000 0.377 126 Y C 0.845 176.735 175.900 -0.017 0.000 1.107 126 Y CA -0.362 57.722 58.100 -0.027 0.000 2.045 126 Y CB -1.411 37.040 38.460 -0.015 0.000 2.203 126 Y HN 0.411 nan 8.280 nan 0.000 0.408 127 A N -0.604 122.283 122.820 0.113 0.000 2.564 127 A HA 0.496 4.816 4.320 -0.000 0.000 0.291 127 A C 0.682 178.260 177.584 -0.009 0.000 1.102 127 A CA -0.744 51.330 52.037 0.062 0.000 0.660 127 A CB 0.742 19.794 19.000 0.086 0.000 1.283 127 A HN 0.257 nan 8.150 nan 0.000 0.430 128 E N -1.029 119.148 120.200 -0.038 0.000 2.208 128 E HA 0.031 4.381 4.350 -0.000 0.000 0.193 128 E C -0.806 175.500 176.600 -0.490 0.000 0.988 128 E CA 1.317 57.566 56.400 -0.251 0.000 0.828 128 E CB 0.014 29.568 29.700 -0.244 0.000 0.763 128 E HN 0.515 nan 8.360 nan 0.000 0.478 129 Y N -1.297 119.014 120.300 0.018 0.000 2.553 129 Y HA 0.509 5.059 4.550 -0.000 0.000 0.347 129 Y C -0.590 175.320 175.900 0.016 0.000 1.019 129 Y CA -1.073 57.035 58.100 0.014 0.000 1.032 129 Y CB 2.062 40.528 38.460 0.011 0.000 1.284 129 Y HN -0.309 nan 8.280 nan 0.000 0.466 130 V N 4.018 124.032 119.914 0.166 0.000 2.888 130 V HA 0.542 4.662 4.120 -0.000 0.000 0.309 130 V C -1.492 174.650 176.094 0.080 0.000 1.114 130 V CA -0.791 61.567 62.300 0.096 0.000 0.940 130 V CB 1.874 33.725 31.823 0.046 0.000 1.021 130 V HN 0.634 nan 8.190 nan 0.000 0.426 131 I N 6.191 126.799 120.570 0.064 0.000 2.342 131 I HA 0.345 4.515 4.170 -0.000 0.000 0.291 131 I C -0.068 176.070 176.117 0.034 0.000 1.010 131 I CA -0.110 61.222 61.300 0.052 0.000 1.308 131 I CB 1.609 39.644 38.000 0.059 0.000 1.400 131 I HN 0.350 nan 8.210 nan 0.000 0.488 132 V N 9.884 129.812 119.914 0.024 0.000 2.350 132 V HA 0.195 4.315 4.120 -0.000 0.000 0.276 132 V C -1.506 174.613 176.094 0.041 0.000 1.028 132 V CA -1.260 61.046 62.300 0.009 0.000 0.860 132 V CB 1.346 33.175 31.823 0.009 0.000 0.990 132 V HN 0.574 nan 8.190 nan 0.000 0.453 133 P HA -0.146 nan 4.420 nan 0.000 0.216 133 P C 0.323 177.711 177.300 0.148 0.000 1.150 133 P CA 1.578 64.724 63.100 0.077 0.000 0.843 133 P CB 0.108 31.811 31.700 0.005 0.000 0.787 134 H N -2.558 116.587 119.070 0.124 0.000 2.954 134 H HA 0.082 4.638 4.556 -0.000 0.000 0.361 134 H C 0.362 175.689 175.328 -0.002 0.000 1.122 134 H CA -0.754 55.323 56.048 0.048 0.000 1.217 134 H CB 0.964 30.712 29.762 -0.024 0.000 1.776 134 H HN -0.058 nan 8.280 nan 0.000 0.533 135 Y N 3.584 123.764 120.300 -0.199 0.000 2.483 135 Y HA -0.122 4.427 4.550 -0.000 0.000 0.291 135 Y C 1.991 177.868 175.900 -0.038 0.000 1.143 135 Y CA 1.145 59.134 58.100 -0.185 0.000 1.289 135 Y CB -0.306 37.993 38.460 -0.267 0.000 0.983 135 Y HN 0.421 nan 8.280 nan 0.000 0.556 136 K N -0.439 119.909 120.400 -0.087 0.000 2.442 136 K HA -0.158 4.162 4.320 -0.000 0.000 0.198 136 K C 0.368 176.816 176.600 -0.255 0.000 1.042 136 K CA 1.246 57.399 56.287 -0.223 0.000 0.958 136 K CB -0.680 31.487 32.500 -0.555 0.000 0.766 136 K HN 0.407 nan 8.250 nan 0.000 0.474 137 Y N 1.382 121.686 120.300 0.006 0.000 2.462 137 Y HA 0.279 4.829 4.550 -0.000 0.000 0.293 137 Y C 0.740 176.650 175.900 0.016 0.000 1.195 137 Y CA -0.186 57.885 58.100 -0.049 0.000 1.276 137 Y CB -0.172 38.200 38.460 -0.147 0.000 1.082 137 Y HN -0.003 nan 8.280 nan 0.000 0.514 138 M N -1.068 118.649 119.600 0.195 0.000 2.573 138 M HA 0.324 4.804 4.480 -0.000 0.000 0.309 138 M C -1.477 175.112 176.300 0.482 0.000 1.202 138 M CA -0.881 54.568 55.300 0.248 0.000 0.975 138 M CB 1.850 34.400 32.600 -0.083 0.000 1.600 138 M HN 0.012 nan 8.290 nan 0.000 0.479 139 Y N 1.046 121.561 120.300 0.357 0.000 2.331 139 Y HA 0.333 4.883 4.550 -0.000 0.000 0.326 139 Y C -0.908 175.105 175.900 0.190 0.000 1.020 139 Y CA -0.932 57.309 58.100 0.236 0.000 1.136 139 Y CB 1.229 39.685 38.460 -0.008 0.000 1.157 139 Y HN 0.495 nan 8.280 nan 0.000 0.444 140 K N 6.538 126.903 120.400 -0.059 0.000 2.447 140 K HA 0.207 4.527 4.320 -0.000 0.000 0.281 140 K C -0.839 175.803 176.600 0.069 0.000 1.031 140 K CA 0.166 56.466 56.287 0.022 0.000 1.019 140 K CB 0.487 32.938 32.500 -0.081 0.000 0.918 140 K HN 0.606 nan 8.250 nan 0.000 0.476 141 L N 3.611 124.915 121.223 0.134 0.000 2.292 141 L HA 0.275 4.615 4.340 -0.000 0.000 0.284 141 L C 1.189 178.105 176.870 0.078 0.000 1.065 141 L CA -0.306 54.618 54.840 0.140 0.000 0.806 141 L CB 1.147 43.277 42.059 0.117 0.000 1.175 141 L HN 0.629 nan 8.230 nan 0.000 0.431 142 R N 0.711 121.256 120.500 0.074 0.000 2.383 142 R HA 0.152 4.492 4.340 -0.000 0.000 0.205 142 R C 1.811 178.131 176.300 0.034 0.000 0.875 142 R CA 0.348 56.473 56.100 0.040 0.000 1.039 142 R CB 0.335 30.653 30.300 0.030 0.000 1.267 142 R HN 0.540 nan 8.270 nan 0.000 0.635 143 R N -0.607 119.917 120.500 0.040 0.000 2.194 143 R HA 0.287 4.627 4.340 -0.000 0.000 0.194 143 R C -0.197 176.117 176.300 0.022 0.000 0.985 143 R CA 0.139 56.254 56.100 0.026 0.000 1.104 143 R CB 0.351 30.664 30.300 0.021 0.000 1.092 143 R HN 0.037 nan 8.270 nan 0.000 0.555 144 L N 3.190 124.430 121.223 0.028 0.000 2.418 144 L HA 0.183 4.523 4.340 -0.000 0.000 0.265 144 L C -0.225 176.661 176.870 0.027 0.000 1.143 144 L CA -0.801 54.051 54.840 0.021 0.000 0.809 144 L CB 1.027 43.095 42.059 0.016 0.000 1.124 144 L HN 0.304 nan 8.230 nan 0.000 0.456 145 N N 1.057 119.768 118.700 0.019 0.000 2.476 145 N HA 0.365 5.105 4.740 -0.000 0.000 0.276 145 N C 0.512 176.035 175.510 0.022 0.000 1.204 145 N CA -0.191 52.870 53.050 0.019 0.000 0.974 145 N CB 0.949 39.443 38.487 0.011 0.000 1.204 145 N HN 0.588 nan 8.380 nan 0.000 0.543 146 A N 0.134 122.966 122.820 0.021 0.000 1.917 146 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 146 A C 1.967 179.560 177.584 0.014 0.000 1.182 146 A CA 1.894 53.944 52.037 0.022 0.000 0.633 146 A CB -1.206 17.801 19.000 0.013 0.000 0.819 146 A HN 0.479 nan 8.150 nan 0.000 0.448 147 V N -0.020 119.898 119.914 0.005 0.000 2.407 147 V HA -0.265 3.854 4.120 -0.000 0.000 0.248 147 V C 2.395 178.492 176.094 0.005 0.000 1.055 147 V CA 2.315 64.615 62.300 0.000 0.000 1.049 147 V CB -0.804 31.015 31.823 -0.006 0.000 0.662 147 V HN 0.663 nan 8.190 nan 0.000 0.455 148 E N 0.251 120.455 120.200 0.007 0.000 2.072 148 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 148 E C 2.285 178.891 176.600 0.011 0.000 0.985 148 E CA 1.239 57.643 56.400 0.007 0.000 0.801 148 E CB -0.295 29.408 29.700 0.005 0.000 0.750 148 E HN 0.598 nan 8.360 nan 0.000 0.452 149 A N 1.373 124.204 122.820 0.018 0.000 1.970 149 A HA 0.072 4.392 4.320 -0.000 0.000 0.216 149 A C 2.365 179.976 177.584 0.045 0.000 1.170 149 A CA 1.159 53.211 52.037 0.024 0.000 0.645 149 A CB -0.449 18.574 19.000 0.039 0.000 0.816 149 A HN 0.261 nan 8.150 nan 0.000 0.447 150 A N 0.736 123.579 122.820 0.039 0.000 1.892 150 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 150 A C 0.146 177.758 177.584 0.046 0.000 1.188 150 A CA 2.046 54.106 52.037 0.038 0.000 0.631 150 A CB -1.747 17.261 19.000 0.013 0.000 0.822 150 A HN 0.450 nan 8.150 nan 0.000 0.447 151 P HA -0.086 nan 4.420 nan 0.000 0.222 151 P C 1.110 178.462 177.300 0.088 0.000 1.147 151 P CA 0.502 63.636 63.100 0.057 0.000 0.790 151 P CB -0.041 31.683 31.700 0.040 0.000 0.780 152 L N -0.409 120.861 121.223 0.078 0.000 2.265 152 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 152 L C 2.179 179.153 176.870 0.172 0.000 1.117 152 L CA 2.117 57.008 54.840 0.086 0.000 0.782 152 L CB -2.158 39.914 42.059 0.023 0.000 0.914 152 L HN 0.132 nan 8.230 nan 0.000 0.441 153 T N -5.983 108.698 114.554 0.212 0.000 3.072 153 T HA -0.118 4.231 4.350 -0.000 0.000 0.266 153 T C 1.731 176.638 174.700 0.345 0.000 1.127 153 T CA 0.931 63.197 62.100 0.276 0.000 1.107 153 T CB -0.508 68.434 68.868 0.124 0.000 0.910 153 T HN 0.394 nan 8.240 nan 0.000 0.513 154 C N -0.109 119.386 119.300 0.324 0.000 3.120 154 C HA 0.394 4.854 4.460 -0.000 0.000 0.222 154 C C 2.828 177.954 174.990 0.225 0.000 2.428 154 C CA 0.650 59.920 59.018 0.420 0.000 1.422 154 C CB 0.107 28.150 27.740 0.506 0.000 1.236 154 C HN 0.470 nan 8.230 nan 0.000 0.746 155 S N 1.068 116.871 115.700 0.172 0.000 2.370 155 S HA -0.022 4.448 4.470 -0.000 0.000 0.226 155 S C 1.789 176.443 174.600 0.090 0.000 1.033 155 S CA 1.815 60.078 58.200 0.105 0.000 1.011 155 S CB -0.823 62.427 63.200 0.085 0.000 0.852 155 S HN 0.856 nan 8.310 nan 0.000 0.457 156 G N 1.316 110.177 108.800 0.103 0.000 2.414 156 G HA2 -0.131 3.828 3.960 -0.000 0.000 0.215 156 G HA3 -0.131 3.828 3.960 -0.000 0.000 0.215 156 G C 1.383 176.349 174.900 0.110 0.000 1.188 156 G CA 0.620 45.772 45.100 0.088 0.000 0.783 156 G HN 0.484 nan 8.290 nan 0.000 0.537 157 I N 0.583 121.233 120.570 0.132 0.000 2.315 157 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 157 I C 2.817 178.981 176.117 0.078 0.000 1.117 157 I CA 1.519 62.892 61.300 0.121 0.000 1.404 157 I CB -0.065 38.049 38.000 0.189 0.000 1.071 157 I HN 0.133 nan 8.210 nan 0.000 0.419 158 T N 0.206 114.778 114.554 0.031 0.000 2.652 158 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 158 T C 1.730 176.443 174.700 0.022 0.000 1.039 158 T CA 2.257 64.343 62.100 -0.023 0.000 1.153 158 T CB -0.415 68.432 68.868 -0.036 0.000 0.863 158 T HN 0.410 nan 8.240 nan 0.000 0.428 159 T N 0.683 115.266 114.554 0.050 0.000 2.821 159 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 159 T C 1.594 176.329 174.700 0.058 0.000 1.046 159 T CA 0.924 63.048 62.100 0.040 0.000 1.139 159 T CB -0.462 68.428 68.868 0.037 0.000 0.871 159 T HN 0.447 nan 8.240 nan 0.000 0.454 160 Y N 2.112 122.399 120.300 -0.022 0.000 2.097 160 Y HA -0.178 4.372 4.550 -0.000 0.000 0.282 160 Y C 2.722 178.606 175.900 -0.027 0.000 1.152 160 Y CA 1.636 59.721 58.100 -0.024 0.000 1.136 160 Y CB -0.161 38.286 38.460 -0.020 0.000 0.975 160 Y HN -0.044 nan 8.280 nan 0.000 0.498 161 R N 0.107 120.712 120.500 0.174 0.000 2.096 161 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 161 R C 2.359 178.647 176.300 -0.021 0.000 1.127 161 R CA 1.169 57.309 56.100 0.066 0.000 0.968 161 R CB -0.547 29.777 30.300 0.040 0.000 0.861 161 R HN 0.464 nan 8.270 nan 0.000 0.440 162 A N 0.212 123.019 122.820 -0.021 0.000 1.908 162 A HA -0.137 4.182 4.320 -0.000 0.000 0.218 162 A C 2.231 179.768 177.584 -0.077 0.000 1.181 162 A CA 1.753 53.767 52.037 -0.038 0.000 0.627 162 A CB -0.575 18.406 19.000 -0.031 0.000 0.818 162 A HN 0.233 nan 8.150 nan 0.000 0.445 163 V N -0.225 119.619 119.914 -0.116 0.000 2.358 163 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 163 V C 2.619 178.611 176.094 -0.170 0.000 1.047 163 V CA 2.074 64.282 62.300 -0.153 0.000 1.035 163 V CB -0.786 30.919 31.823 -0.198 0.000 0.658 163 V HN 0.505 nan 8.190 nan 0.000 0.452 164 R N 0.046 120.417 120.500 -0.215 0.000 2.105 164 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 164 R C 2.371 178.622 176.300 -0.081 0.000 1.135 164 R CA 1.451 57.453 56.100 -0.163 0.000 0.967 164 R CB -0.265 29.952 30.300 -0.139 0.000 0.861 164 R HN 0.486 nan 8.270 nan 0.000 0.442 165 K N -0.160 120.205 120.400 -0.059 0.000 2.283 165 K HA -0.032 4.287 4.320 -0.000 0.000 0.202 165 K C 1.824 178.398 176.600 -0.044 0.000 1.048 165 K CA 0.948 57.218 56.287 -0.030 0.000 0.948 165 K CB 0.054 32.549 32.500 -0.009 0.000 0.742 165 K HN 0.133 nan 8.250 nan 0.000 0.458 166 A N 0.890 123.670 122.820 -0.067 0.000 2.172 166 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 166 A C 0.587 178.134 177.584 -0.062 0.000 1.154 166 A CA 0.633 52.625 52.037 -0.074 0.000 0.701 166 A CB -0.217 18.729 19.000 -0.090 0.000 0.789 166 A HN 0.189 nan 8.150 nan 0.000 0.465 167 S N -1.225 114.441 115.700 -0.056 0.000 3.524 167 S HA -0.142 4.328 4.470 -0.000 0.000 0.377 167 S C -0.025 174.548 174.600 -0.045 0.000 0.949 167 S CA 0.694 58.868 58.200 -0.044 0.000 1.264 167 S CB -1.930 61.252 63.200 -0.031 0.000 0.918 167 S HN 0.518 nan 8.310 nan 0.000 0.517 168 L N 1.481 122.672 121.223 -0.053 0.000 2.399 168 L HA 0.741 5.081 4.340 -0.000 0.000 0.265 168 L C 0.512 177.360 176.870 -0.037 0.000 1.089 168 L CA -0.618 54.194 54.840 -0.047 0.000 0.802 168 L CB 1.072 43.098 42.059 -0.055 0.000 1.180 168 L HN 0.579 nan 8.230 nan 0.000 0.454 169 D N -0.604 119.779 120.400 -0.028 0.000 2.643 169 D HA 0.335 4.975 4.640 -0.000 0.000 0.283 169 D C -2.539 173.752 176.300 -0.015 0.000 1.242 169 D CA -1.402 52.586 54.000 -0.020 0.000 0.863 169 D CB 1.222 42.013 40.800 -0.016 0.000 1.382 169 D HN 0.026 nan 8.370 nan 0.000 0.444 170 P HA -0.067 nan 4.420 nan 0.000 0.221 170 P C 1.084 178.384 177.300 -0.001 0.000 1.145 170 P CA 1.726 64.823 63.100 -0.004 0.000 0.795 170 P CB -0.066 31.633 31.700 -0.002 0.000 0.775 171 T N -4.760 109.791 114.554 -0.004 0.000 3.148 171 T HA 0.105 4.455 4.350 -0.000 0.000 0.253 171 T C 0.665 175.361 174.700 -0.006 0.000 1.134 171 T CA 0.296 62.395 62.100 -0.003 0.000 1.051 171 T CB -0.328 68.538 68.868 -0.004 0.000 0.959 171 T HN 0.058 nan 8.240 nan 0.000 0.525 172 K N 0.508 120.903 120.400 -0.009 0.000 2.258 172 K HA 0.617 4.937 4.320 -0.000 0.000 0.236 172 K C -0.888 175.706 176.600 -0.010 0.000 1.008 172 K CA -0.808 55.471 56.287 -0.014 0.000 0.869 172 K CB 1.895 34.382 32.500 -0.021 0.000 1.171 172 K HN -0.070 nan 8.250 nan 0.000 0.447 173 T N 1.608 116.151 114.554 -0.017 0.000 2.848 173 T HA 0.356 4.706 4.350 -0.000 0.000 0.285 173 T C -1.337 173.347 174.700 -0.027 0.000 0.995 173 T CA -0.675 61.417 62.100 -0.015 0.000 0.970 173 T CB 0.960 69.813 68.868 -0.025 0.000 0.976 173 T HN 0.300 nan 8.240 nan 0.000 0.441 174 L N 4.224 125.432 121.223 -0.026 0.000 2.317 174 L HA 0.792 5.132 4.340 -0.000 0.000 0.281 174 L C -1.188 175.653 176.870 -0.048 0.000 1.024 174 L CA -0.849 53.963 54.840 -0.047 0.000 0.810 174 L CB 1.138 43.166 42.059 -0.052 0.000 1.240 174 L HN 0.561 nan 8.230 nan 0.000 0.427 175 L N 5.894 127.073 121.223 -0.073 0.000 2.295 175 L HA 0.639 4.979 4.340 -0.000 0.000 0.285 175 L C -1.075 175.713 176.870 -0.137 0.000 1.035 175 L CA -0.137 54.650 54.840 -0.089 0.000 0.806 175 L CB 1.653 43.662 42.059 -0.083 0.000 1.214 175 L HN 0.450 nan 8.230 nan 0.000 0.426 176 V N 6.098 125.934 119.914 -0.131 0.000 2.384 176 V HA 0.405 4.525 4.120 -0.000 0.000 0.287 176 V C -0.071 175.906 176.094 -0.194 0.000 1.020 176 V CA -0.730 61.482 62.300 -0.146 0.000 0.850 176 V CB 1.663 33.429 31.823 -0.096 0.000 0.987 176 V HN 0.566 nan 8.190 nan 0.000 0.436 177 V N 3.994 123.759 119.914 -0.247 0.000 2.649 177 V HA 0.542 4.662 4.120 -0.000 0.000 0.292 177 V C 1.270 177.271 176.094 -0.155 0.000 1.055 177 V CA 0.761 62.877 62.300 -0.307 0.000 1.023 177 V CB 1.003 32.625 31.823 -0.336 0.000 0.992 177 V HN 1.241 nan 8.190 nan 0.000 0.480 178 G N 3.864 112.592 108.800 -0.118 0.000 2.295 178 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.287 178 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.287 178 G C 0.875 175.743 174.900 -0.052 0.000 1.055 178 G CA 0.524 45.589 45.100 -0.059 0.000 0.922 178 G HN 1.441 nan 8.290 nan 0.000 0.503 179 A N -0.669 122.115 122.820 -0.060 0.000 2.125 179 A HA 0.361 4.681 4.320 -0.000 0.000 0.219 179 A C 2.415 179.982 177.584 -0.028 0.000 1.156 179 A CA 2.135 54.144 52.037 -0.048 0.000 0.671 179 A CB -0.117 18.854 19.000 -0.047 0.000 0.794 179 A HN 1.629 nan 8.150 nan 0.000 0.459 180 G N -0.931 107.857 108.800 -0.021 0.000 3.088 180 G HA2 0.414 4.374 3.960 -0.000 0.000 0.217 180 G HA3 0.414 4.374 3.960 -0.000 0.000 0.217 180 G C 0.696 175.592 174.900 -0.007 0.000 1.159 180 G CA 0.536 45.630 45.100 -0.011 0.000 0.760 180 G HN 0.681 nan 8.290 nan 0.000 0.550 181 G N -0.640 108.154 108.800 -0.010 0.000 2.588 181 G HA2 0.419 4.379 3.960 -0.000 0.000 0.281 181 G HA3 0.419 4.379 3.960 -0.000 0.000 0.281 181 G C 1.243 176.141 174.900 -0.004 0.000 1.236 181 G CA 0.133 45.231 45.100 -0.004 0.000 0.969 181 G HN 0.161 nan 8.290 nan 0.000 0.504 182 G N -0.739 108.061 108.800 0.001 0.000 2.440 182 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.218 182 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.218 182 G C 1.602 176.504 174.900 0.003 0.000 1.154 182 G CA 0.807 45.909 45.100 0.004 0.000 0.767 182 G HN 0.342 nan 8.290 nan 0.000 0.552 183 L N 1.323 122.546 121.223 -0.001 0.000 2.109 183 L HA 0.199 4.539 4.340 -0.000 0.000 0.207 183 L C 3.032 179.895 176.870 -0.010 0.000 1.086 183 L CA 1.527 56.366 54.840 -0.001 0.000 0.760 183 L CB -1.163 40.893 42.059 -0.005 0.000 0.910 183 L HN 0.242 nan 8.230 nan 0.000 0.437 184 G N -1.141 107.648 108.800 -0.018 0.000 2.421 184 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.216 184 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.216 184 G C 1.596 176.482 174.900 -0.024 0.000 1.171 184 G CA 1.454 46.537 45.100 -0.029 0.000 0.775 184 G HN 0.455 nan 8.290 nan 0.000 0.543 185 T N -1.050 113.495 114.554 -0.016 0.000 2.821 185 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 185 T C 2.314 177.008 174.700 -0.009 0.000 1.046 185 T CA 1.699 63.792 62.100 -0.013 0.000 1.139 185 T CB -0.236 68.628 68.868 -0.008 0.000 0.871 185 T HN 0.166 nan 8.240 nan 0.000 0.454 186 M N 2.409 122.007 119.600 -0.004 0.000 2.117 186 M HA 0.231 4.711 4.480 -0.000 0.000 0.262 186 M C 2.432 178.731 176.300 -0.001 0.000 1.065 186 M CA 1.558 56.861 55.300 0.004 0.000 1.114 186 M CB -0.898 31.710 32.600 0.015 0.000 1.361 186 M HN 0.334 nan 8.290 nan 0.000 0.408 187 A N -0.837 121.975 122.820 -0.013 0.000 1.898 187 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 187 A C 2.165 179.729 177.584 -0.034 0.000 1.181 187 A CA 1.884 53.904 52.037 -0.027 0.000 0.620 187 A CB -1.242 17.734 19.000 -0.040 0.000 0.819 187 A HN 0.388 nan 8.150 nan 0.000 0.442 188 V N 0.069 119.965 119.914 -0.031 0.000 2.295 188 V HA -0.334 3.786 4.120 -0.000 0.000 0.246 188 V C 2.689 178.769 176.094 -0.023 0.000 1.049 188 V CA 2.300 64.583 62.300 -0.029 0.000 1.024 188 V CB -0.917 30.891 31.823 -0.024 0.000 0.648 188 V HN 0.624 nan 8.190 nan 0.000 0.447 189 Q N -0.677 119.113 119.800 -0.016 0.000 2.061 189 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 189 Q C 2.286 178.280 176.000 -0.010 0.000 0.984 189 Q CA 1.973 57.770 55.803 -0.011 0.000 0.846 189 Q CB -0.246 28.490 28.738 -0.003 0.000 0.902 189 Q HN 0.598 nan 8.270 nan 0.000 0.421 190 I N 0.372 120.937 120.570 -0.009 0.000 2.202 190 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 190 I C 2.449 178.538 176.117 -0.045 0.000 1.091 190 I CA 0.864 62.157 61.300 -0.011 0.000 1.368 190 I CB -0.422 37.575 38.000 -0.005 0.000 1.058 190 I HN 0.135 nan 8.210 nan 0.000 0.410 191 A N 0.835 123.622 122.820 -0.054 0.000 1.940 191 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 191 A C 2.299 179.858 177.584 -0.043 0.000 1.176 191 A CA 2.210 54.209 52.037 -0.062 0.000 0.631 191 A CB -0.506 18.459 19.000 -0.058 0.000 0.814 191 A HN 0.326 nan 8.150 nan 0.000 0.446 192 K N -0.242 120.140 120.400 -0.030 0.000 2.097 192 K HA 0.063 4.383 4.320 -0.000 0.000 0.205 192 K C 1.932 178.521 176.600 -0.019 0.000 1.050 192 K CA 1.384 57.658 56.287 -0.022 0.000 0.938 192 K CB -0.356 32.132 32.500 -0.019 0.000 0.718 192 K HN 0.326 nan 8.250 nan 0.000 0.442 193 A N 0.065 122.876 122.820 -0.016 0.000 2.016 193 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 193 A C 1.866 179.444 177.584 -0.010 0.000 1.162 193 A CA 1.399 53.432 52.037 -0.007 0.000 0.662 193 A CB -0.199 18.804 19.000 0.005 0.000 0.812 193 A HN 0.289 nan 8.150 nan 0.000 0.450 194 V N -3.168 116.729 119.914 -0.028 0.000 3.477 194 V HA 0.250 4.370 4.120 -0.000 0.000 0.297 194 V C 1.123 177.188 176.094 -0.048 0.000 1.433 194 V CA 1.227 63.504 62.300 -0.038 0.000 1.052 194 V CB -0.049 31.728 31.823 -0.077 0.000 0.895 194 V HN 0.599 nan 8.190 nan 0.000 0.438 195 S N -1.214 114.460 115.700 -0.043 0.000 2.691 195 S HA 0.452 4.922 4.470 -0.000 0.000 0.258 195 S C 1.812 176.397 174.600 -0.025 0.000 1.078 195 S CA 1.035 59.211 58.200 -0.041 0.000 1.000 195 S CB 0.697 63.866 63.200 -0.053 0.000 0.942 195 S HN 1.826 nan 8.310 nan 0.000 0.521 196 G N 1.779 110.567 108.800 -0.020 0.000 2.184 196 G HA2 -0.141 3.818 3.960 -0.000 0.000 0.264 196 G HA3 -0.141 3.818 3.960 -0.000 0.000 0.264 196 G C 0.419 175.315 174.900 -0.007 0.000 0.975 196 G CA 0.238 45.331 45.100 -0.011 0.000 0.642 196 G HN 1.411 nan 8.290 nan 0.000 0.536 197 A N -0.102 122.711 122.820 -0.012 0.000 2.366 197 A HA 0.660 4.980 4.320 -0.000 0.000 0.249 197 A C 0.855 178.446 177.584 0.011 0.000 1.084 197 A CA 1.043 53.077 52.037 -0.005 0.000 0.794 197 A CB 0.310 19.300 19.000 -0.018 0.000 1.034 197 A HN 0.754 nan 8.150 nan 0.000 0.491 198 T N 1.662 116.234 114.554 0.031 0.000 2.884 198 T HA 0.432 4.782 4.350 -0.000 0.000 0.298 198 T C -0.024 174.718 174.700 0.069 0.000 0.998 198 T CA 0.609 62.754 62.100 0.075 0.000 1.124 198 T CB -0.112 68.824 68.868 0.115 0.000 0.931 198 T HN 0.365 nan 8.240 nan 0.000 0.531 199 I N 3.954 124.579 120.570 0.092 0.000 2.406 199 I HA 0.438 4.608 4.170 -0.000 0.000 0.290 199 I C -0.249 175.941 176.117 0.121 0.000 0.999 199 I CA -0.723 60.615 61.300 0.063 0.000 1.124 199 I CB 1.497 39.509 38.000 0.020 0.000 1.289 199 I HN 0.433 nan 8.210 nan 0.000 0.441 200 I N 5.073 125.688 120.570 0.075 0.000 2.354 200 I HA 0.467 4.637 4.170 -0.000 0.000 0.292 200 I C 0.554 176.681 176.117 0.017 0.000 0.989 200 I CA -0.390 60.958 61.300 0.081 0.000 1.188 200 I CB 1.728 39.746 38.000 0.030 0.000 1.342 200 I HN 0.626 nan 8.210 nan 0.000 0.457 201 G N 5.311 114.127 108.800 0.025 0.000 2.417 201 G HA2 0.549 4.509 3.960 -0.000 0.000 0.320 201 G HA3 0.549 4.509 3.960 -0.000 0.000 0.320 201 G C -1.326 173.563 174.900 -0.018 0.000 1.204 201 G CA -0.414 44.676 45.100 -0.015 0.000 0.923 201 G HN 0.392 nan 8.290 nan 0.000 0.466 202 V N 2.238 122.113 119.914 -0.065 0.000 2.680 202 V HA 0.804 4.924 4.120 -0.000 0.000 0.309 202 V C -1.262 174.801 176.094 -0.050 0.000 1.052 202 V CA -0.628 61.642 62.300 -0.050 0.000 0.908 202 V CB 2.068 33.839 31.823 -0.087 0.000 1.001 202 V HN 0.816 nan 8.190 nan 0.000 0.431 203 D N 1.860 122.257 120.400 -0.004 0.000 2.768 203 D HA 0.362 5.002 4.640 -0.000 0.000 0.327 203 D C -0.098 176.219 176.300 0.028 0.000 1.302 203 D CA 0.400 54.402 54.000 0.003 0.000 0.897 203 D CB 2.421 43.219 40.800 -0.004 0.000 1.420 203 D HN 0.560 nan 8.370 nan 0.000 0.494 204 V N -1.543 118.385 119.914 0.024 0.000 3.477 204 V HA 0.550 4.670 4.120 -0.000 0.000 0.297 204 V C 0.397 176.503 176.094 0.019 0.000 1.433 204 V CA -0.015 62.303 62.300 0.029 0.000 1.052 204 V CB 0.228 32.069 31.823 0.030 0.000 0.895 204 V HN 0.235 nan 8.190 nan 0.000 0.438 205 R N -0.177 120.332 120.500 0.014 0.000 2.750 205 R HA 0.699 5.039 4.340 -0.000 0.000 0.281 205 R C 1.330 177.637 176.300 0.011 0.000 0.972 205 R CA 0.207 56.313 56.100 0.011 0.000 0.912 205 R CB 1.773 32.078 30.300 0.008 0.000 1.187 205 R HN 0.173 nan 8.270 nan 0.000 0.464 206 E N 1.811 122.017 120.200 0.010 0.000 2.085 206 E HA -0.236 4.113 4.350 -0.000 0.000 0.194 206 E C 1.359 177.963 176.600 0.007 0.000 0.994 206 E CA 2.037 58.442 56.400 0.009 0.000 0.801 206 E CB -0.466 nan 29.700 nan 0.000 0.743 206 E HN 0.729 nan 8.360 nan 0.000 0.453 207 E N 0.371 120.575 120.200 0.006 0.000 2.110 207 E HA 0.044 4.394 4.350 -0.000 0.000 0.193 207 E C 2.272 178.874 176.600 0.004 0.000 0.988 207 E CA 1.307 57.710 56.400 0.005 0.000 0.804 207 E CB -0.360 29.343 29.700 0.006 0.000 0.745 207 E HN 0.566 nan 8.360 nan 0.000 0.458 208 A N 0.639 123.462 122.820 0.005 0.000 1.897 208 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 208 A C 2.477 180.062 177.584 0.001 0.000 1.181 208 A CA 1.137 53.176 52.037 0.003 0.000 0.620 208 A CB -0.706 18.297 19.000 0.004 0.000 0.821 208 A HN 0.150 nan 8.150 nan 0.000 0.443 209 V N 0.252 120.169 119.914 0.004 0.000 2.392 209 V HA -0.267 3.852 4.120 -0.000 0.000 0.249 209 V C 2.611 178.707 176.094 0.002 0.000 1.059 209 V CA 2.502 64.805 62.300 0.005 0.000 1.051 209 V CB -0.681 31.149 31.823 0.011 0.000 0.658 209 V HN 0.732 nan 8.190 nan 0.000 0.455 210 E N 0.647 120.848 120.200 0.001 0.000 2.072 210 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 210 E C 2.136 178.734 176.600 -0.004 0.000 0.985 210 E CA 1.551 57.950 56.400 -0.002 0.000 0.801 210 E CB -0.469 29.231 29.700 -0.001 0.000 0.750 210 E HN 0.517 nan 8.360 nan 0.000 0.452 211 A N 0.749 123.567 122.820 -0.003 0.000 1.933 211 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 211 A C 2.433 180.012 177.584 -0.008 0.000 1.175 211 A CA 1.971 54.005 52.037 -0.005 0.000 0.628 211 A CB -0.984 18.014 19.000 -0.003 0.000 0.814 211 A HN 0.381 nan 8.150 nan 0.000 0.444 212 A N -0.328 122.487 122.820 -0.008 0.000 1.933 212 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 212 A C 2.108 179.684 177.584 -0.013 0.000 1.175 212 A CA 1.949 53.979 52.037 -0.012 0.000 0.628 212 A CB -0.393 18.600 19.000 -0.011 0.000 0.814 212 A HN 0.535 nan 8.150 nan 0.000 0.444 213 K N -0.860 119.532 120.400 -0.012 0.000 2.025 213 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 213 K C 2.289 178.876 176.600 -0.021 0.000 1.049 213 K CA 1.477 57.752 56.287 -0.019 0.000 0.933 213 K CB -0.151 32.337 32.500 -0.019 0.000 0.714 213 K HN 0.332 nan 8.250 nan 0.000 0.438 214 R N 0.043 120.534 120.500 -0.016 0.000 2.152 214 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 214 R C 1.974 178.265 176.300 -0.015 0.000 1.117 214 R CA 1.176 57.267 56.100 -0.015 0.000 0.981 214 R CB -0.106 30.187 30.300 -0.011 0.000 0.870 214 R HN 0.197 nan 8.270 nan 0.000 0.451 215 A N -0.935 121.876 122.820 -0.015 0.000 2.119 215 A HA 0.150 4.470 4.320 -0.000 0.000 0.216 215 A C 1.433 179.006 177.584 -0.018 0.000 1.152 215 A CA 1.168 53.196 52.037 -0.014 0.000 0.708 215 A CB 0.015 19.006 19.000 -0.014 0.000 0.805 215 A HN 0.451 nan 8.150 nan 0.000 0.460 216 G N -2.646 106.141 108.800 -0.022 0.000 2.183 216 G HA2 0.221 4.181 3.960 -0.000 0.000 0.168 216 G HA3 0.221 4.181 3.960 -0.000 0.000 0.168 216 G C 0.272 175.154 174.900 -0.030 0.000 1.008 216 G CA -0.003 45.081 45.100 -0.027 0.000 0.677 216 G HN 1.417 nan 8.290 nan 0.000 0.498 217 A N 0.756 123.561 122.820 -0.026 0.000 2.491 217 A HA 0.505 4.825 4.320 -0.000 0.000 0.261 217 A C 1.298 178.854 177.584 -0.046 0.000 1.101 217 A CA 0.785 52.813 52.037 -0.015 0.000 0.772 217 A CB 0.204 19.204 19.000 -0.001 0.000 1.043 217 A HN 0.280 nan 8.150 nan 0.000 0.501 218 D N 0.807 121.176 120.400 -0.053 0.000 2.178 218 D HA -0.089 4.551 4.640 -0.000 0.000 0.201 218 D C -0.406 175.626 176.300 -0.447 0.000 0.980 218 D CA 1.917 55.781 54.000 -0.226 0.000 0.842 218 D CB 0.035 40.724 40.800 -0.185 0.000 0.948 218 D HN 0.701 nan 8.370 nan 0.000 0.472 219 Y N -0.885 119.408 120.300 -0.012 0.000 2.524 219 Y HA 0.365 4.915 4.550 -0.000 0.000 0.347 219 Y C 0.007 175.901 175.900 -0.010 0.000 1.005 219 Y CA -1.218 56.877 58.100 -0.008 0.000 1.025 219 Y CB 2.243 40.700 38.460 -0.004 0.000 1.275 219 Y HN -0.304 nan 8.280 nan 0.000 0.460 220 V N 0.296 120.296 119.914 0.144 0.000 3.078 220 V HA 0.795 4.915 4.120 -0.000 0.000 0.311 220 V C -1.126 175.014 176.094 0.077 0.000 1.138 220 V CA -1.114 61.235 62.300 0.082 0.000 1.007 220 V CB 2.453 34.299 31.823 0.038 0.000 1.045 220 V HN 0.696 nan 8.190 nan 0.000 0.432 221 I N 2.277 122.880 120.570 0.056 0.000 2.569 221 I HA 0.442 4.612 4.170 -0.000 0.000 0.290 221 I C -1.005 175.141 176.117 0.048 0.000 1.088 221 I CA -0.487 60.847 61.300 0.057 0.000 1.047 221 I CB 2.221 40.261 38.000 0.066 0.000 1.237 221 I HN 0.760 nan 8.210 nan 0.000 0.421 222 N N 4.546 123.274 118.700 0.046 0.000 2.462 222 N HA 0.329 5.069 4.740 -0.000 0.000 0.242 222 N C 0.566 176.107 175.510 0.052 0.000 1.010 222 N CA -0.145 52.930 53.050 0.041 0.000 0.939 222 N CB 1.891 40.397 38.487 0.031 0.000 1.127 222 N HN 0.798 nan 8.380 nan 0.000 0.509 223 A N 2.682 125.543 122.820 0.069 0.000 2.172 223 A HA -0.036 4.283 4.320 -0.000 0.000 0.216 223 A C 1.830 179.449 177.584 0.059 0.000 1.154 223 A CA 0.936 53.026 52.037 0.088 0.000 0.701 223 A CB -0.047 19.040 19.000 0.145 0.000 0.789 223 A HN 0.627 nan 8.150 nan 0.000 0.465 224 S N -0.917 114.809 115.700 0.043 0.000 2.501 224 S HA 0.089 4.559 4.470 -0.000 0.000 0.220 224 S C 1.593 176.208 174.600 0.024 0.000 0.997 224 S CA 0.739 58.956 58.200 0.030 0.000 0.919 224 S CB -0.018 63.195 63.200 0.022 0.000 0.778 224 S HN 0.508 nan 8.310 nan 0.000 0.523 225 M N 0.378 119.995 119.600 0.028 0.000 2.449 225 M HA 0.325 4.805 4.480 -0.000 0.000 0.262 225 M C -0.022 176.293 176.300 0.025 0.000 1.152 225 M CA 0.615 55.929 55.300 0.023 0.000 1.104 225 M CB -0.145 32.468 32.600 0.022 0.000 1.416 225 M HN 0.171 nan 8.290 nan 0.000 0.519 226 Q N 0.153 119.972 119.800 0.033 0.000 2.423 226 Q HA 0.276 4.615 4.340 -0.000 0.000 0.278 226 Q C -0.950 175.073 176.000 0.038 0.000 1.097 226 Q CA -0.817 55.006 55.803 0.034 0.000 0.809 226 Q CB 2.235 30.997 28.738 0.039 0.000 1.391 226 Q HN -0.077 nan 8.270 nan 0.000 0.428 227 D N 2.506 122.925 120.400 0.031 0.000 2.338 227 D HA 0.068 4.708 4.640 -0.000 0.000 0.255 227 D C -1.543 174.785 176.300 0.047 0.000 1.237 227 D CA -1.985 52.032 54.000 0.029 0.000 0.883 227 D CB 1.100 41.910 40.800 0.015 0.000 1.087 227 D HN 0.214 nan 8.370 nan 0.000 0.485 228 P HA -0.153 nan 4.420 nan 0.000 0.216 228 P C 1.846 179.212 177.300 0.109 0.000 1.153 228 P CA 0.797 63.974 63.100 0.128 0.000 0.848 228 P CB 0.386 32.241 31.700 0.259 0.000 0.787 229 L N -0.615 120.646 121.223 0.064 0.000 2.083 229 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 229 L C 2.816 179.708 176.870 0.037 0.000 1.083 229 L CA 1.589 56.460 54.840 0.050 0.000 0.752 229 L CB -1.183 40.882 42.059 0.010 0.000 0.899 229 L HN -0.039 nan 8.230 nan 0.000 0.433 230 A N -0.598 122.238 122.820 0.026 0.000 1.898 230 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 230 A C 2.247 179.840 177.584 0.014 0.000 1.181 230 A CA 1.228 53.276 52.037 0.017 0.000 0.620 230 A CB -0.302 18.706 19.000 0.013 0.000 0.819 230 A HN 0.267 nan 8.150 nan 0.000 0.442 231 E N 0.074 120.288 120.200 0.023 0.000 2.077 231 E HA -0.129 4.220 4.350 -0.000 0.000 0.193 231 E C 1.928 178.522 176.600 -0.009 0.000 0.989 231 E CA 0.945 57.353 56.400 0.013 0.000 0.800 231 E CB -0.360 29.359 29.700 0.031 0.000 0.746 231 E HN 0.709 nan 8.360 nan 0.000 0.452 232 I N 0.738 121.314 120.570 0.011 0.000 2.179 232 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 232 I C 2.408 178.508 176.117 -0.029 0.000 1.088 232 I CA 0.930 62.225 61.300 -0.008 0.000 1.357 232 I CB -0.129 37.898 38.000 0.045 0.000 1.051 232 I HN -0.034 nan 8.210 nan 0.000 0.409 233 R N 0.356 120.852 120.500 -0.008 0.000 2.120 233 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 233 R C 2.236 178.517 176.300 -0.031 0.000 1.123 233 R CA 1.079 57.171 56.100 -0.014 0.000 0.975 233 R CB -0.803 29.497 30.300 0.000 0.000 0.866 233 R HN 0.415 nan 8.270 nan 0.000 0.446 234 R N 0.698 121.178 120.500 -0.034 0.000 2.062 234 R HA -0.027 4.313 4.340 -0.000 0.000 0.231 234 R C 2.350 178.602 176.300 -0.080 0.000 1.136 234 R CA 1.256 57.332 56.100 -0.041 0.000 0.948 234 R CB -0.260 30.023 30.300 -0.027 0.000 0.845 234 R HN 0.120 nan 8.270 nan 0.000 0.430 235 I N 0.590 121.079 120.570 -0.135 0.000 2.208 235 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 235 I C 1.903 177.886 176.117 -0.223 0.000 1.097 235 I CA 1.889 63.026 61.300 -0.271 0.000 1.363 235 I CB -0.322 37.413 38.000 -0.441 0.000 1.051 235 I HN 0.372 nan 8.210 nan 0.000 0.413 236 T N -2.604 111.865 114.554 -0.143 0.000 3.163 236 T HA 0.160 4.510 4.350 -0.000 0.000 0.252 236 T C 0.431 175.096 174.700 -0.058 0.000 1.056 236 T CA -0.333 61.709 62.100 -0.097 0.000 0.947 236 T CB -0.309 68.516 68.868 -0.071 0.000 1.016 236 T HN 0.410 nan 8.240 nan 0.000 0.554 237 E N 0.978 121.145 120.200 -0.055 0.000 2.252 237 E HA -0.233 4.116 4.350 -0.000 0.000 0.218 237 E C 0.344 176.931 176.600 -0.021 0.000 1.253 237 E CA 0.329 56.709 56.400 -0.032 0.000 0.705 237 E CB -2.233 27.452 29.700 -0.026 0.000 1.172 237 E HN 0.626 nan 8.360 nan 0.000 0.369 238 S N -2.334 113.354 115.700 -0.020 0.000 2.769 238 S HA -0.326 4.144 4.470 -0.000 0.000 0.264 238 S C 1.314 175.910 174.600 -0.006 0.000 1.288 238 S CA 1.917 60.111 58.200 -0.009 0.000 1.378 238 S CB -0.738 62.459 63.200 -0.005 0.000 1.702 238 S HN 0.569 nan 8.310 nan 0.000 0.656 239 K N 1.685 122.078 120.400 -0.012 0.000 2.097 239 K HA 0.196 4.516 4.320 -0.000 0.000 0.205 239 K C 1.179 177.777 176.600 -0.004 0.000 1.050 239 K CA 1.296 57.577 56.287 -0.009 0.000 0.938 239 K CB -0.344 32.147 32.500 -0.014 0.000 0.718 239 K HN 0.838 nan 8.250 nan 0.000 0.442 240 G N 0.146 108.942 108.800 -0.006 0.000 2.757 240 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.638 240 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.638 240 G C -0.532 174.364 174.900 -0.007 0.000 1.344 240 G CA -0.371 44.731 45.100 0.005 0.000 0.855 240 G HN 0.473 nan 8.290 nan 0.000 0.537 241 V N -2.411 117.502 119.914 -0.001 0.000 2.612 241 V HA 0.701 4.821 4.120 -0.000 0.000 0.301 241 V C 0.944 177.025 176.094 -0.022 0.000 1.046 241 V CA 0.272 62.562 62.300 -0.016 0.000 0.946 241 V CB 1.910 33.723 31.823 -0.016 0.000 1.003 241 V HN 0.722 nan 8.190 nan 0.000 0.459 242 D N 2.208 122.589 120.400 -0.032 0.000 2.317 242 D HA 0.293 4.932 4.640 -0.000 0.000 0.211 242 D C 0.657 176.925 176.300 -0.054 0.000 0.966 242 D CA 1.603 55.580 54.000 -0.038 0.000 0.876 242 D CB 0.912 41.691 40.800 -0.034 0.000 0.927 242 D HN 0.928 nan 8.370 nan 0.000 0.519 243 A N 0.183 122.965 122.820 -0.063 0.000 2.589 243 A HA 0.505 4.825 4.320 -0.000 0.000 0.296 243 A C -1.286 176.224 177.584 -0.123 0.000 1.062 243 A CA -0.584 51.396 52.037 -0.095 0.000 0.686 243 A CB 1.772 20.715 19.000 -0.095 0.000 1.282 243 A HN -0.084 nan 8.150 nan 0.000 0.404 244 V N 2.236 122.024 119.914 -0.210 0.000 2.540 244 V HA 0.496 4.616 4.120 -0.000 0.000 0.302 244 V C -0.508 175.340 176.094 -0.411 0.000 1.035 244 V CA -0.284 61.823 62.300 -0.322 0.000 0.873 244 V CB 1.676 33.220 31.823 -0.465 0.000 0.992 244 V HN 0.717 nan 8.190 nan 0.000 0.428 245 I N 3.688 124.076 120.570 -0.303 0.000 2.330 245 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 245 I C -0.760 175.214 176.117 -0.238 0.000 1.001 245 I CA -0.156 60.996 61.300 -0.246 0.000 1.193 245 I CB 1.522 39.433 38.000 -0.148 0.000 1.345 245 I HN 0.544 nan 8.210 nan 0.000 0.461 246 D N 8.229 128.500 120.400 -0.214 0.000 2.462 246 D HA 0.382 5.022 4.640 -0.000 0.000 0.249 246 D C -0.801 175.542 176.300 0.072 0.000 1.117 246 D CA -0.296 53.667 54.000 -0.062 0.000 0.900 246 D CB 0.719 41.533 40.800 0.024 0.000 1.039 246 D HN 0.278 nan 8.370 nan 0.000 0.516 247 L N 3.112 124.347 121.223 0.021 0.000 2.292 247 L HA 0.347 4.687 4.340 -0.000 0.000 0.284 247 L C 0.788 177.656 176.870 -0.002 0.000 1.065 247 L CA -0.711 54.143 54.840 0.023 0.000 0.806 247 L CB 0.663 42.715 42.059 -0.011 0.000 1.175 247 L HN 0.290 nan 8.230 nan 0.000 0.431 248 N N 2.107 120.772 118.700 -0.058 0.000 2.671 248 N HA -0.245 4.495 4.740 -0.000 0.000 0.261 248 N C -0.689 174.719 175.510 -0.170 0.000 1.053 248 N CA 0.652 53.588 53.050 -0.189 0.000 0.732 248 N CB -0.920 37.481 38.487 -0.142 0.000 0.887 248 N HN 0.590 nan 8.380 nan 0.000 0.546 249 Y N -0.783 119.566 120.300 0.082 0.000 2.385 249 Y HA 0.479 5.029 4.550 -0.000 0.000 0.346 249 Y C 1.079 177.021 175.900 0.071 0.000 1.270 249 Y CA -0.631 57.542 58.100 0.121 0.000 1.472 249 Y CB 0.471 39.053 38.460 0.203 0.000 1.354 249 Y HN 0.265 nan 8.280 nan 0.000 0.611 250 S N -0.588 115.264 115.700 0.254 0.000 2.720 250 S HA 0.307 4.777 4.470 -0.000 0.000 0.287 250 S C 0.404 175.182 174.600 0.298 0.000 1.168 250 S CA -0.503 57.711 58.200 0.024 0.000 0.832 250 S CB 1.626 64.669 63.200 -0.262 0.000 1.166 250 S HN 0.791 nan 8.310 nan 0.000 0.493 251 E N 0.614 121.000 120.200 0.309 0.000 2.153 251 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 251 E C 1.768 178.473 176.600 0.175 0.000 0.988 251 E CA 1.442 58.012 56.400 0.282 0.000 0.811 251 E CB -0.087 29.784 29.700 0.284 0.000 0.746 251 E HN 0.628 nan 8.360 nan 0.000 0.466 252 K N -0.549 119.924 120.400 0.123 0.000 2.007 252 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 252 K C 2.233 178.909 176.600 0.126 0.000 1.047 252 K CA 1.822 58.163 56.287 0.090 0.000 0.937 252 K CB -0.259 32.274 32.500 0.055 0.000 0.718 252 K HN 0.269 nan 8.250 nan 0.000 0.438 253 T N -0.187 114.493 114.554 0.210 0.000 2.746 253 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 253 T C 1.910 176.805 174.700 0.325 0.000 1.039 253 T CA 1.328 63.653 62.100 0.374 0.000 1.142 253 T CB -0.508 68.614 68.868 0.423 0.000 0.866 253 T HN 0.190 nan 8.240 nan 0.000 0.444 254 L N 1.933 123.299 121.223 0.239 0.000 2.275 254 L HA 0.008 4.348 4.340 -0.000 0.000 0.215 254 L C 3.007 179.905 176.870 0.047 0.000 1.119 254 L CA 1.329 56.222 54.840 0.088 0.000 0.790 254 L CB -0.638 41.448 42.059 0.045 0.000 0.919 254 L HN 0.547 nan 8.230 nan 0.000 0.443 255 S N -2.058 113.691 115.700 0.083 0.000 2.524 255 S HA 0.052 4.522 4.470 -0.000 0.000 0.216 255 S C 1.496 176.110 174.600 0.023 0.000 0.987 255 S CA 0.060 58.304 58.200 0.073 0.000 0.909 255 S CB 0.364 63.603 63.200 0.065 0.000 0.781 255 S HN 0.126 nan 8.310 nan 0.000 0.521 256 V N -0.087 119.794 119.914 -0.054 0.000 2.721 256 V HA 0.189 4.309 4.120 -0.000 0.000 0.236 256 V C 1.810 177.773 176.094 -0.217 0.000 1.116 256 V CA 0.639 62.804 62.300 -0.226 0.000 1.148 256 V CB -0.863 30.640 31.823 -0.533 0.000 0.886 256 V HN 0.397 nan 8.190 nan 0.000 0.490 257 Y N 0.617 121.016 120.300 0.164 0.000 2.421 257 Y HA -0.027 4.523 4.550 -0.000 0.000 0.292 257 Y C -0.284 175.765 175.900 0.249 0.000 1.136 257 Y CA 0.692 58.935 58.100 0.238 0.000 1.255 257 Y CB -1.984 36.681 38.460 0.342 0.000 0.991 257 Y HN 0.380 nan 8.280 nan 0.000 0.552 258 P HA -0.162 nan 4.420 nan 0.000 0.219 258 P C 0.976 178.324 177.300 0.080 0.000 1.146 258 P CA 1.774 64.836 63.100 -0.063 0.000 0.808 258 P CB -0.022 31.458 31.700 -0.367 0.000 0.779 259 K N -0.678 119.819 120.400 0.162 0.000 2.362 259 K HA 0.010 4.330 4.320 -0.000 0.000 0.200 259 K C 1.797 178.470 176.600 0.121 0.000 1.046 259 K CA 1.101 57.487 56.287 0.165 0.000 0.952 259 K CB -0.315 32.253 32.500 0.113 0.000 0.753 259 K HN 0.093 nan 8.250 nan 0.000 0.466 260 A N 0.905 123.811 122.820 0.144 0.000 2.218 260 A HA 0.115 4.435 4.320 -0.000 0.000 0.209 260 A C 0.701 178.340 177.584 0.093 0.000 1.168 260 A CA -0.067 52.047 52.037 0.130 0.000 0.804 260 A CB -0.103 19.017 19.000 0.200 0.000 0.834 260 A HN 0.097 nan 8.150 nan 0.000 0.482 261 L N 0.730 122.003 121.223 0.083 0.000 2.453 261 L HA 0.352 4.692 4.340 -0.000 0.000 0.272 261 L C 0.964 177.843 176.870 0.016 0.000 1.182 261 L CA -0.450 54.409 54.840 0.032 0.000 0.858 261 L CB 0.741 42.788 42.059 -0.020 0.000 1.120 261 L HN 0.307 nan 8.230 nan 0.000 0.474 262 A N 4.227 127.047 122.820 -0.000 0.000 2.280 262 A HA 0.318 4.638 4.320 -0.000 0.000 0.268 262 A C 0.058 177.636 177.584 -0.010 0.000 1.111 262 A CA -0.517 51.518 52.037 -0.003 0.000 0.814 262 A CB 0.236 19.230 19.000 -0.010 0.000 1.093 262 A HN 0.714 nan 8.150 nan 0.000 0.498 263 K N 0.403 120.801 120.400 -0.004 0.000 2.436 263 K HA 0.134 4.454 4.320 -0.000 0.000 0.275 263 K C 0.055 176.644 176.600 -0.018 0.000 0.999 263 K CA 0.581 56.864 56.287 -0.007 0.000 0.980 263 K CB 0.138 32.638 32.500 0.000 0.000 0.919 263 K HN 0.704 nan 8.250 nan 0.000 0.484 264 Q N -1.259 118.526 119.800 -0.025 0.000 2.362 264 Q HA -0.170 4.170 4.340 -0.000 0.000 0.220 264 Q C 0.363 176.332 176.000 -0.051 0.000 0.713 264 Q CA 0.704 56.487 55.803 -0.033 0.000 1.345 264 Q CB -1.768 26.956 28.738 -0.022 0.000 1.570 264 Q HN 0.914 nan 8.270 nan 0.000 0.701 265 G N 1.226 109.989 108.800 -0.062 0.000 2.432 265 G HA2 0.242 4.202 3.960 -0.000 0.000 0.239 265 G HA3 0.242 4.202 3.960 -0.000 0.000 0.239 265 G C -0.288 174.541 174.900 -0.118 0.000 1.291 265 G CA -0.156 44.898 45.100 -0.077 0.000 0.863 265 G HN 0.027 nan 8.290 nan 0.000 0.560 266 K N 1.262 121.599 120.400 -0.105 0.000 2.265 266 K HA 0.175 4.495 4.320 -0.000 0.000 0.267 266 K C -1.439 175.089 176.600 -0.121 0.000 0.994 266 K CA -0.608 55.608 56.287 -0.117 0.000 0.860 266 K CB 1.962 34.414 32.500 -0.081 0.000 1.099 266 K HN 0.556 nan 8.250 nan 0.000 0.448 267 Y N 3.267 123.402 120.300 -0.276 0.000 2.454 267 Y HA 0.163 4.713 4.550 -0.000 0.000 0.345 267 Y C -0.566 175.299 175.900 -0.058 0.000 0.970 267 Y CA -0.638 57.348 58.100 -0.191 0.000 1.204 267 Y CB 0.698 38.958 38.460 -0.334 0.000 1.122 267 Y HN 0.215 nan 8.280 nan 0.000 0.514 268 V N 8.200 127.987 119.914 -0.211 0.000 2.348 268 V HA 0.266 4.386 4.120 -0.000 0.000 0.270 268 V C -0.070 175.996 176.094 -0.047 0.000 1.037 268 V CA -0.386 61.869 62.300 -0.075 0.000 0.872 268 V CB 0.502 32.269 31.823 -0.093 0.000 1.002 268 V HN 0.763 nan 8.190 nan 0.000 0.464 269 M N 5.333 124.993 119.600 0.100 0.000 2.300 269 M HA 0.662 5.142 4.480 -0.000 0.000 0.348 269 M C -0.884 175.534 176.300 0.197 0.000 1.151 269 M CA -0.467 54.939 55.300 0.176 0.000 1.046 269 M CB 2.063 34.714 32.600 0.085 0.000 1.647 269 M HN 0.352 nan 8.290 nan 0.000 0.451 270 V N 1.908 122.003 119.914 0.302 0.000 2.760 270 V HA 0.997 5.117 4.120 -0.000 0.000 0.309 270 V C 0.079 176.327 176.094 0.257 0.000 1.077 270 V CA -0.402 62.027 62.300 0.215 0.000 0.910 270 V CB 1.778 33.654 31.823 0.089 0.000 1.008 270 V HN 1.092 nan 8.190 nan 0.000 0.424 271 G N 2.877 111.791 108.800 0.189 0.000 2.361 271 G HA2 0.132 4.092 3.960 -0.000 0.000 0.331 271 G HA3 0.132 4.092 3.960 -0.000 0.000 0.331 271 G C -0.930 174.013 174.900 0.071 0.000 1.324 271 G CA -0.570 44.534 45.100 0.006 0.000 0.984 271 G HN 0.695 nan 8.290 nan 0.000 0.586 272 L N -0.135 121.057 121.223 -0.052 0.000 3.184 272 L HA 0.379 4.719 4.340 -0.000 0.000 0.283 272 L C 0.658 177.512 176.870 -0.027 0.000 1.218 272 L CA -0.343 54.489 54.840 -0.014 0.000 1.028 272 L CB 0.391 42.379 42.059 -0.118 0.000 1.400 272 L HN 0.458 nan 8.230 nan 0.000 0.591 273 F N 1.680 121.485 119.950 -0.241 0.000 2.563 273 F HA 0.291 4.818 4.527 -0.000 0.000 0.363 273 F C 1.343 177.179 175.800 0.061 0.000 1.123 273 F CA -0.605 57.303 58.000 -0.153 0.000 1.307 273 F CB 0.904 39.724 39.000 -0.301 0.000 1.115 273 F HN -0.037 nan 8.300 nan 0.000 0.592 274 G N 5.419 113.485 108.800 -1.223 0.000 2.916 274 G HA2 0.502 4.462 3.960 -0.000 0.000 0.280 274 G HA3 0.502 4.462 3.960 -0.000 0.000 0.280 274 G C -0.669 173.704 174.900 -0.878 0.000 0.758 274 G CA 0.242 44.844 45.100 -0.830 0.000 1.993 274 G HN 0.926 nan 8.290 nan 0.000 0.564 275 A N 2.162 124.780 122.820 -0.335 0.000 2.515 275 A HA 0.763 5.082 4.320 -0.000 0.000 0.296 275 A C -0.936 176.622 177.584 -0.044 0.000 1.094 275 A CA -0.843 51.188 52.037 -0.010 0.000 0.718 275 A CB 1.804 21.076 19.000 0.453 0.000 1.307 275 A HN 0.380 nan 8.150 nan 0.000 0.408 276 D N 0.741 121.074 120.400 -0.112 0.000 2.185 276 D HA 0.427 5.067 4.640 -0.000 0.000 0.247 276 D C -0.894 175.102 176.300 -0.507 0.000 1.027 276 D CA -0.260 53.535 54.000 -0.343 0.000 0.861 276 D CB 2.282 42.790 40.800 -0.487 0.000 1.202 276 D HN 0.366 nan 8.370 nan 0.000 0.453 277 L N 3.269 124.195 121.223 -0.495 0.000 2.281 277 L HA 0.176 4.516 4.340 -0.000 0.000 0.285 277 L C -0.820 175.744 176.870 -0.510 0.000 1.074 277 L CA 0.074 54.626 54.840 -0.481 0.000 0.817 277 L CB 0.169 41.919 42.059 -0.514 0.000 1.168 277 L HN 0.280 nan 8.230 nan 0.000 0.434 278 H N 5.777 124.776 119.070 -0.118 0.000 2.727 278 H HA 0.401 4.957 4.556 -0.000 0.000 0.330 278 H C -1.596 173.756 175.328 0.040 0.000 0.986 278 H CA -0.378 55.641 56.048 -0.048 0.000 1.251 278 H CB 1.306 31.052 29.762 -0.026 0.000 1.493 278 H HN 0.628 nan 8.280 nan 0.000 0.515 279 Y N 1.102 121.387 120.300 -0.024 0.000 2.482 279 Y HA 0.095 4.645 4.550 -0.000 0.000 0.334 279 Y C -0.454 175.494 175.900 0.080 0.000 1.091 279 Y CA -0.806 57.300 58.100 0.010 0.000 1.027 279 Y CB 1.190 39.608 38.460 -0.069 0.000 1.306 279 Y HN 0.651 nan 8.280 nan 0.000 0.446 280 H N 4.062 122.939 119.070 -0.322 0.000 3.026 280 H HA 0.357 4.913 4.556 -0.000 0.000 0.289 280 H C 0.887 176.216 175.328 0.003 0.000 1.022 280 H CA 0.698 56.651 56.048 -0.159 0.000 1.477 280 H CB 1.242 30.864 29.762 -0.233 0.000 1.510 280 H HN 0.846 nan 8.280 nan 0.000 0.535 281 A N 7.166 129.833 122.820 -0.254 0.000 1.892 281 A HA -0.149 4.170 4.320 -0.000 0.000 0.218 281 A C -0.320 177.169 177.584 -0.158 0.000 1.188 281 A CA 1.517 53.470 52.037 -0.141 0.000 0.631 281 A CB -1.362 17.556 19.000 -0.136 0.000 0.822 281 A HN 0.675 nan 8.150 nan 0.000 0.447 282 P HA -0.138 nan 4.420 nan 0.000 0.218 282 P C 1.378 178.665 177.300 -0.022 0.000 1.146 282 P CA 0.851 63.849 63.100 -0.170 0.000 0.813 282 P CB -0.112 31.468 31.700 -0.200 0.000 0.778 283 L N -1.611 119.630 121.223 0.029 0.000 2.056 283 L HA -0.131 4.208 4.340 -0.000 0.000 0.207 283 L C 2.358 179.348 176.870 0.200 0.000 1.078 283 L CA 1.267 56.201 54.840 0.157 0.000 0.749 283 L CB -0.718 41.474 42.059 0.221 0.000 0.901 283 L HN -0.044 nan 8.230 nan 0.000 0.433 284 I N -0.026 120.683 120.570 0.232 0.000 2.163 284 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 284 I C 2.772 178.942 176.117 0.088 0.000 1.085 284 I CA 2.057 63.469 61.300 0.187 0.000 1.347 284 I CB -0.669 37.468 38.000 0.228 0.000 1.044 284 I HN 0.439 nan 8.210 nan 0.000 0.408 285 T N -0.226 114.362 114.554 0.057 0.000 2.777 285 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 285 T C 1.916 176.632 174.700 0.028 0.000 1.040 285 T CA 0.891 63.010 62.100 0.031 0.000 1.141 285 T CB -0.799 68.077 68.868 0.012 0.000 0.868 285 T HN 0.238 nan 8.240 nan 0.000 0.444 286 L N 1.001 122.244 121.223 0.033 0.000 2.083 286 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 286 L C 2.596 179.484 176.870 0.031 0.000 1.083 286 L CA 1.342 56.200 54.840 0.031 0.000 0.752 286 L CB -0.387 41.694 42.059 0.038 0.000 0.899 286 L HN 0.309 nan 8.230 nan 0.000 0.433 287 S N -1.589 114.135 115.700 0.039 0.000 2.540 287 S HA 0.059 4.529 4.470 -0.000 0.000 0.218 287 S C 0.301 174.906 174.600 0.008 0.000 0.977 287 S CA -0.247 57.969 58.200 0.026 0.000 0.918 287 S CB 0.172 63.394 63.200 0.037 0.000 0.806 287 S HN 0.327 nan 8.310 nan 0.000 0.496 288 E N 1.376 121.582 120.200 0.010 0.000 2.440 288 E HA -0.208 4.142 4.350 -0.000 0.000 0.246 288 E C 0.109 176.692 176.600 -0.028 0.000 1.165 288 E CA 0.413 56.812 56.400 -0.002 0.000 0.726 288 E CB -1.671 28.027 29.700 -0.004 0.000 1.271 288 E HN 0.733 nan 8.360 nan 0.000 0.397 289 I N -2.403 118.139 120.570 -0.046 0.000 2.945 289 I HA 0.252 4.422 4.170 -0.000 0.000 0.292 289 I C 0.361 176.386 176.117 -0.153 0.000 1.093 289 I CA -0.438 60.778 61.300 -0.139 0.000 1.336 289 I CB 0.600 38.452 38.000 -0.247 0.000 1.435 289 I HN -0.060 nan 8.210 nan 0.000 0.593 290 Q N 2.544 122.199 119.800 -0.242 0.000 2.347 290 Q HA 0.527 4.867 4.340 -0.000 0.000 0.271 290 Q C -1.803 174.011 176.000 -0.309 0.000 1.064 290 Q CA -0.490 55.216 55.803 -0.161 0.000 0.800 290 Q CB 2.850 31.547 28.738 -0.067 0.000 1.304 290 Q HN 0.535 nan 8.270 nan 0.000 0.438 291 F N 1.629 121.576 119.950 -0.005 0.000 2.411 291 F HA 0.500 5.027 4.527 -0.000 0.000 0.352 291 F C -0.054 175.756 175.800 0.017 0.000 1.123 291 F CA -0.893 57.114 58.000 0.012 0.000 1.044 291 F CB 1.670 40.638 39.000 -0.055 0.000 1.135 291 F HN 0.266 nan 8.300 nan 0.000 0.461 292 V N 1.004 121.025 119.914 0.178 0.000 2.638 292 V HA 0.977 5.097 4.120 -0.000 0.000 0.306 292 V C -0.236 175.917 176.094 0.098 0.000 1.052 292 V CA -0.682 61.682 62.300 0.107 0.000 0.885 292 V CB 1.158 33.016 31.823 0.057 0.000 0.999 292 V HN 0.817 nan 8.190 nan 0.000 0.424 293 G N 2.065 110.913 108.800 0.080 0.000 2.412 293 G HA2 0.642 4.602 3.960 -0.000 0.000 0.318 293 G HA3 0.642 4.602 3.960 -0.000 0.000 0.318 293 G C -0.620 174.323 174.900 0.072 0.000 1.146 293 G CA -0.375 44.769 45.100 0.073 0.000 0.882 293 G HN 1.261 nan 8.290 nan 0.000 0.501 294 S N -0.586 115.159 115.700 0.075 0.000 2.537 294 S HA 0.681 5.151 4.470 -0.000 0.000 0.270 294 S C -1.780 172.851 174.600 0.051 0.000 1.142 294 S CA -0.510 57.730 58.200 0.066 0.000 0.870 294 S CB 1.603 64.830 63.200 0.044 0.000 1.112 294 S HN 0.867 nan 8.310 nan 0.000 0.466 295 L N 5.167 126.409 121.223 0.032 0.000 2.505 295 L HA 0.692 5.032 4.340 -0.000 0.000 0.259 295 L C 0.389 177.159 176.870 -0.167 0.000 0.952 295 L CA 0.259 55.072 54.840 -0.046 0.000 0.840 295 L CB 1.440 43.506 42.059 0.012 0.000 1.358 295 L HN 1.166 nan 8.230 nan 0.000 0.409 296 V N 1.550 121.233 119.914 -0.386 0.000 0.691 296 V HA 0.090 4.210 4.120 -0.000 0.000 0.092 296 V C 0.318 176.124 176.094 -0.480 0.000 0.770 296 V CA 0.711 62.610 62.300 -0.670 0.000 3.097 296 V CB -2.066 28.754 31.823 -1.671 0.000 0.182 296 V HN 2.318 nan 8.190 nan 0.000 0.067 297 G N -0.679 107.725 108.800 -0.660 0.000 2.441 297 G HA2 0.674 4.634 3.960 -0.000 0.000 0.294 297 G HA3 0.674 4.634 3.960 -0.000 0.000 0.294 297 G C -1.120 173.388 174.900 -0.653 0.000 1.393 297 G CA -0.198 44.462 45.100 -0.732 0.000 0.796 297 G HN 2.062 nan 8.290 nan 0.000 0.494 298 N N -0.842 117.602 118.700 -0.426 0.000 2.495 298 N HA 0.268 5.008 4.740 -0.000 0.000 0.294 298 N C 1.065 176.639 175.510 0.106 0.000 1.276 298 N CA -0.539 52.505 53.050 -0.010 0.000 0.973 298 N CB 0.511 39.086 38.487 0.146 0.000 1.143 298 N HN 0.369 nan 8.380 nan 0.000 0.589 299 Q N -0.631 119.267 119.800 0.163 0.000 2.170 299 Q HA -0.123 4.217 4.340 -0.000 0.000 0.203 299 Q C 1.623 177.727 176.000 0.173 0.000 0.976 299 Q CA 1.377 57.295 55.803 0.191 0.000 0.858 299 Q CB -0.443 28.377 28.738 0.137 0.000 0.907 299 Q HN 0.758 nan 8.270 nan 0.000 0.433 300 S N 0.680 116.449 115.700 0.116 0.000 2.371 300 S HA -0.121 4.349 4.470 -0.000 0.000 0.224 300 S C 1.343 175.956 174.600 0.022 0.000 1.029 300 S CA 1.010 59.259 58.200 0.082 0.000 0.978 300 S CB 0.033 63.289 63.200 0.093 0.000 0.833 300 S HN 0.256 nan 8.310 nan 0.000 0.466 301 D N 0.503 120.924 120.400 0.035 0.000 2.123 301 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 301 D C 1.559 177.692 176.300 -0.279 0.000 0.992 301 D CA 0.967 54.913 54.000 -0.091 0.000 0.833 301 D CB -0.467 40.369 40.800 0.061 0.000 0.954 301 D HN 0.486 nan 8.370 nan 0.000 0.455 302 F N 1.254 121.089 119.950 -0.191 0.000 2.146 302 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 302 F C 2.111 177.763 175.800 -0.247 0.000 1.096 302 F CA 0.626 58.526 58.000 -0.165 0.000 1.275 302 F CB -0.417 38.575 39.000 -0.014 0.000 1.008 302 F HN -0.144 nan 8.300 nan 0.000 0.480 303 L N 0.571 121.701 121.223 -0.157 0.000 2.012 303 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 303 L C 2.635 179.281 176.870 -0.373 0.000 1.073 303 L CA 2.181 56.895 54.840 -0.210 0.000 0.748 303 L CB -1.589 40.479 42.059 0.015 0.000 0.891 303 L HN 0.255 nan 8.230 nan 0.000 0.431 304 G N -0.801 107.728 108.800 -0.452 0.000 2.421 304 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 304 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 304 G C 1.617 176.115 174.900 -0.670 0.000 1.171 304 G CA 0.944 45.691 45.100 -0.589 0.000 0.775 304 G HN 0.390 nan 8.290 nan 0.000 0.543 305 I N 0.512 120.551 120.570 -0.885 0.000 2.315 305 I HA -0.059 4.111 4.170 -0.000 0.000 0.248 305 I C 2.484 178.351 176.117 -0.416 0.000 1.117 305 I CA 1.079 62.102 61.300 -0.463 0.000 1.404 305 I CB -0.100 37.721 38.000 -0.298 0.000 1.071 305 I HN 0.044 nan 8.210 nan 0.000 0.419 306 M N -0.282 118.914 119.600 -0.673 0.000 2.175 306 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 306 M C 2.391 178.333 176.300 -0.597 0.000 1.063 306 M CA 1.423 56.212 55.300 -0.852 0.000 1.119 306 M CB -1.338 30.190 32.600 -1.787 0.000 1.377 306 M HN 0.233 nan 8.290 nan 0.000 0.415 307 R N 0.136 120.365 120.500 -0.451 0.000 2.081 307 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 307 R C 2.296 178.536 176.300 -0.099 0.000 1.131 307 R CA 1.194 57.199 56.100 -0.158 0.000 0.960 307 R CB -0.536 29.723 30.300 -0.069 0.000 0.856 307 R HN 0.353 nan 8.270 nan 0.000 0.436 308 L N -0.078 121.084 121.223 -0.102 0.000 2.017 308 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 308 L C 2.692 179.532 176.870 -0.050 0.000 1.073 308 L CA 1.433 56.250 54.840 -0.039 0.000 0.745 308 L CB -0.576 41.490 42.059 0.011 0.000 0.894 308 L HN 0.241 nan 8.230 nan 0.000 0.432 309 A N -0.699 122.067 122.820 -0.091 0.000 1.898 309 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 309 A C 2.198 179.750 177.584 -0.054 0.000 1.181 309 A CA 1.254 53.249 52.037 -0.071 0.000 0.620 309 A CB -0.342 18.600 19.000 -0.097 0.000 0.819 309 A HN 0.343 nan 8.150 nan 0.000 0.442 310 E N -0.151 120.009 120.200 -0.067 0.000 2.153 310 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 310 E C 2.052 178.654 176.600 0.003 0.000 0.988 310 E CA 1.125 57.519 56.400 -0.010 0.000 0.811 310 E CB -0.291 29.433 29.700 0.041 0.000 0.746 310 E HN 0.580 nan 8.360 nan 0.000 0.466 311 A N -0.089 122.728 122.820 -0.006 0.000 2.208 311 A HA 0.241 4.561 4.320 -0.000 0.000 0.209 311 A C 1.701 179.284 177.584 -0.001 0.000 1.161 311 A CA 1.027 53.066 52.037 0.002 0.000 0.782 311 A CB -0.127 18.875 19.000 0.003 0.000 0.816 311 A HN 0.278 nan 8.150 nan 0.000 0.477 312 G N -0.332 108.464 108.800 -0.007 0.000 2.143 312 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.248 312 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.248 312 G C 0.813 175.711 174.900 -0.005 0.000 0.991 312 G CA 0.807 45.904 45.100 -0.006 0.000 0.689 312 G HN 0.554 nan 8.290 nan 0.000 0.522 313 K N -0.643 119.754 120.400 -0.004 0.000 2.366 313 K HA 0.319 4.638 4.320 -0.000 0.000 0.198 313 K C 1.200 177.800 176.600 0.001 0.000 1.044 313 K CA 1.264 57.551 56.287 -0.000 0.000 0.973 313 K CB 0.341 32.844 32.500 0.005 0.000 0.767 313 K HN 0.918 nan 8.250 nan 0.000 0.475 314 V N -2.040 117.873 119.914 -0.002 0.000 3.078 314 V HA 0.456 4.576 4.120 -0.000 0.000 0.311 314 V C -1.221 174.870 176.094 -0.005 0.000 1.138 314 V CA -1.296 61.004 62.300 -0.000 0.000 1.007 314 V CB 2.170 33.999 31.823 0.009 0.000 1.045 314 V HN -0.115 nan 8.190 nan 0.000 0.432 315 K N 2.225 122.623 120.400 -0.003 0.000 2.156 315 K HA 0.645 4.965 4.320 -0.000 0.000 0.254 315 K C -2.678 173.921 176.600 -0.002 0.000 0.950 315 K CA -1.777 54.508 56.287 -0.004 0.000 0.849 315 K CB 1.793 34.291 32.500 -0.003 0.000 1.100 315 K HN 0.577 nan 8.250 nan 0.000 0.434 316 P HA -0.040 nan 4.420 nan 0.000 0.267 316 P C -0.440 176.862 177.300 0.003 0.000 1.201 316 P CA 0.382 63.482 63.100 -0.000 0.000 0.775 316 P CB 0.450 32.150 31.700 -0.000 0.000 0.854 317 M N 1.685 121.290 119.600 0.007 0.000 2.243 317 M HA 0.139 4.619 4.480 -0.000 0.000 0.341 317 M C 0.576 176.879 176.300 0.005 0.000 1.130 317 M CA -0.012 55.293 55.300 0.009 0.000 1.162 317 M CB 0.036 32.645 32.600 0.015 0.000 1.497 317 M HN 0.218 nan 8.290 nan 0.000 0.456 318 I N 2.070 122.643 120.570 0.004 0.000 2.741 318 I HA -0.031 4.139 4.170 -0.000 0.000 0.288 318 I C 0.144 176.262 176.117 0.002 0.000 1.192 318 I CA 0.721 62.023 61.300 0.002 0.000 1.426 318 I CB 0.036 38.038 38.000 0.003 0.000 1.367 318 I HN 0.643 nan 8.210 nan 0.000 0.563 319 T N 5.696 120.249 114.554 -0.001 0.000 2.893 319 T HA 0.424 4.774 4.350 -0.000 0.000 0.291 319 T C -0.572 174.124 174.700 -0.007 0.000 1.028 319 T CA -0.830 61.268 62.100 -0.004 0.000 0.995 319 T CB 2.001 70.866 68.868 -0.004 0.000 1.051 319 T HN 0.332 nan 8.240 nan 0.000 0.470 320 K N 2.593 122.986 120.400 -0.011 0.000 2.535 320 K HA 0.474 4.794 4.320 -0.000 0.000 0.253 320 K C -0.213 176.373 176.600 -0.024 0.000 0.953 320 K CA -0.536 55.742 56.287 -0.016 0.000 0.863 320 K CB 0.513 33.005 32.500 -0.015 0.000 1.111 320 K HN 0.737 nan 8.250 nan 0.000 0.431 321 T N 2.063 116.603 114.554 -0.025 0.000 2.897 321 T HA 0.620 4.970 4.350 -0.000 0.000 0.294 321 T C 0.420 175.096 174.700 -0.040 0.000 1.004 321 T CA -0.579 61.501 62.100 -0.033 0.000 1.106 321 T CB 0.610 69.460 68.868 -0.029 0.000 0.949 321 T HN 0.562 nan 8.240 nan 0.000 0.520 322 M N 0.921 120.488 119.600 -0.054 0.000 2.779 322 M HA 0.484 4.964 4.480 -0.000 0.000 0.277 322 M C -0.477 175.780 176.300 -0.072 0.000 1.284 322 M CA -1.230 54.034 55.300 -0.061 0.000 0.801 322 M CB 2.281 34.838 32.600 -0.072 0.000 1.712 322 M HN 0.467 nan 8.290 nan 0.000 0.453 323 K N 0.658 121.014 120.400 -0.073 0.000 2.095 323 K HA 0.337 4.657 4.320 -0.000 0.000 0.252 323 K C 0.508 177.044 176.600 -0.105 0.000 0.977 323 K CA -0.628 55.614 56.287 -0.076 0.000 0.900 323 K CB 1.631 34.097 32.500 -0.057 0.000 1.060 323 K HN 0.484 nan 8.250 nan 0.000 0.449 324 L N 2.059 123.219 121.223 -0.105 0.000 2.043 324 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 324 L C 1.503 178.298 176.870 -0.125 0.000 1.075 324 L CA 2.064 56.824 54.840 -0.133 0.000 0.752 324 L CB -0.457 41.548 42.059 -0.089 0.000 0.891 324 L HN 0.613 nan 8.230 nan 0.000 0.432 325 E N 0.028 120.179 120.200 -0.080 0.000 2.333 325 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 325 E C 1.740 178.299 176.600 -0.069 0.000 1.007 325 E CA 1.091 57.454 56.400 -0.061 0.000 0.845 325 E CB -0.223 29.454 29.700 -0.039 0.000 0.766 325 E HN 0.634 nan 8.360 nan 0.000 0.507 326 E N -0.127 120.020 120.200 -0.089 0.000 2.445 326 E HA 0.156 4.506 4.350 -0.000 0.000 0.189 326 E C 1.552 178.084 176.600 -0.112 0.000 1.069 326 E CA 0.220 56.570 56.400 -0.083 0.000 0.871 326 E CB 0.197 29.853 29.700 -0.075 0.000 0.991 326 E HN 0.256 nan 8.360 nan 0.000 0.481 327 A N 2.051 124.773 122.820 -0.163 0.000 1.869 327 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 327 A C 1.941 179.465 177.584 -0.099 0.000 1.203 327 A CA 1.662 53.563 52.037 -0.226 0.000 0.638 327 A CB -0.437 18.382 19.000 -0.301 0.000 0.831 327 A HN 0.228 nan 8.150 nan 0.000 0.450 328 N N -0.566 118.106 118.700 -0.047 0.000 2.104 328 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 328 N C 1.823 177.319 175.510 -0.024 0.000 1.024 328 N CA 1.613 54.654 53.050 -0.014 0.000 0.853 328 N CB -0.373 38.112 38.487 -0.002 0.000 1.008 328 N HN 0.798 nan 8.380 nan 0.000 0.424 329 E N 0.805 120.984 120.200 -0.034 0.000 2.047 329 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 329 E C 1.891 178.469 176.600 -0.038 0.000 0.987 329 E CA 0.976 57.358 56.400 -0.030 0.000 0.799 329 E CB -0.022 29.660 29.700 -0.031 0.000 0.752 329 E HN 0.282 nan 8.360 nan 0.000 0.449 330 A N 1.305 124.091 122.820 -0.056 0.000 1.892 330 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 330 A C 2.182 179.735 177.584 -0.052 0.000 1.188 330 A CA 1.607 53.608 52.037 -0.060 0.000 0.631 330 A CB -0.695 18.249 19.000 -0.093 0.000 0.822 330 A HN 0.371 nan 8.150 nan 0.000 0.447 331 I N -0.388 120.155 120.570 -0.044 0.000 2.315 331 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 331 I C 1.834 177.910 176.117 -0.067 0.000 1.117 331 I CA 1.240 62.510 61.300 -0.050 0.000 1.404 331 I CB -0.525 37.467 38.000 -0.013 0.000 1.071 331 I HN 0.285 nan 8.210 nan 0.000 0.419 332 D N 1.225 121.601 120.400 -0.039 0.000 2.104 332 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 332 D C 1.805 178.090 176.300 -0.025 0.000 0.994 332 D CA 1.242 55.227 54.000 -0.025 0.000 0.830 332 D CB -0.525 40.270 40.800 -0.008 0.000 0.959 332 D HN 0.336 nan 8.370 nan 0.000 0.452 333 N N 0.622 119.306 118.700 -0.027 0.000 2.205 333 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 333 N C 2.067 177.551 175.510 -0.042 0.000 1.015 333 N CA 0.447 53.487 53.050 -0.017 0.000 0.862 333 N CB -0.289 38.187 38.487 -0.018 0.000 0.986 333 N HN 0.299 nan 8.380 nan 0.000 0.429 334 L N 1.032 122.197 121.223 -0.096 0.000 2.240 334 L HA -0.013 4.327 4.340 -0.000 0.000 0.211 334 L C 2.107 178.815 176.870 -0.269 0.000 1.106 334 L CA 0.673 55.404 54.840 -0.182 0.000 0.793 334 L CB -0.137 41.808 42.059 -0.191 0.000 0.927 334 L HN 0.116 nan 8.230 nan 0.000 0.446 335 E N 0.298 120.403 120.200 -0.157 0.000 2.072 335 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 335 E C 0.905 177.603 176.600 0.163 0.000 0.982 335 E CA 0.846 57.215 56.400 -0.051 0.000 0.803 335 E CB -0.029 29.659 29.700 -0.021 0.000 0.755 335 E HN 0.497 nan 8.360 nan 0.000 0.453 336 N N 0.583 119.369 118.700 0.144 0.000 2.313 336 N HA 0.018 4.757 4.740 -0.000 0.000 0.207 336 N C -0.385 175.334 175.510 0.349 0.000 1.141 336 N CA 0.104 53.297 53.050 0.238 0.000 0.830 336 N CB 0.050 38.611 38.487 0.124 0.000 1.008 336 N HN 0.058 nan 8.380 nan 0.000 0.481 337 F N 0.449 120.431 119.950 0.053 0.000 3.099 337 F HA -0.306 4.221 4.527 -0.000 0.000 0.276 337 F C 1.198 177.012 175.800 0.024 0.000 0.914 337 F CA 0.671 58.697 58.000 0.042 0.000 0.948 337 F CB -1.876 37.139 39.000 0.025 0.000 0.983 337 F HN 0.130 nan 8.300 nan 0.000 0.638 338 K N -0.357 120.127 120.400 0.139 0.000 2.444 338 K HA 0.419 4.739 4.320 -0.000 0.000 0.193 338 K C 1.095 177.724 176.600 0.048 0.000 1.024 338 K CA 0.631 56.969 56.287 0.085 0.000 1.077 338 K CB 0.253 32.790 32.500 0.062 0.000 0.833 338 K HN 0.291 nan 8.250 nan 0.000 0.517 339 A N 1.689 124.527 122.820 0.030 0.000 2.302 339 A HA 0.511 4.831 4.320 -0.000 0.000 0.295 339 A C -0.002 177.591 177.584 0.015 0.000 1.235 339 A CA -0.430 51.611 52.037 0.007 0.000 0.876 339 A CB -0.271 18.718 19.000 -0.018 0.000 1.133 339 A HN 0.214 nan 8.150 nan 0.000 0.533 340 I N 1.732 122.311 120.570 0.015 0.000 2.321 340 I HA 0.753 4.923 4.170 -0.000 0.000 0.291 340 I C 0.880 177.001 176.117 0.007 0.000 0.998 340 I CA 0.186 61.495 61.300 0.016 0.000 1.227 340 I CB 0.075 nan 38.000 nan 0.000 1.368 340 I HN 2.275 nan 8.210 nan 0.000 0.466 341 G N 3.570 112.374 108.800 0.007 0.000 2.758 341 G HA2 0.197 4.157 3.960 -0.000 0.000 0.686 341 G HA3 0.197 4.157 3.960 -0.000 0.000 0.686 341 G C -0.203 174.698 174.900 0.002 0.000 1.389 341 G CA -0.305 44.798 45.100 0.004 0.000 0.845 341 G HN 2.104 nan 8.290 nan 0.000 0.572 342 R N 0.866 121.368 120.500 0.004 0.000 2.370 342 R HA 0.410 4.750 4.340 -0.000 0.000 0.309 342 R C 0.783 177.080 176.300 -0.006 0.000 1.059 342 R CA 0.284 56.386 56.100 0.004 0.000 0.981 342 R CB 0.041 30.349 30.300 0.012 0.000 0.972 342 R HN 0.577 nan 8.270 nan 0.000 0.437 343 Q N 2.786 122.579 119.800 -0.012 0.000 2.288 343 Q HA 0.342 4.681 4.340 -0.000 0.000 0.258 343 Q C -0.808 175.171 176.000 -0.035 0.000 0.957 343 Q CA -0.524 55.262 55.803 -0.028 0.000 0.919 343 Q CB 1.785 30.501 28.738 -0.037 0.000 1.185 343 Q HN 0.318 nan 8.270 nan 0.000 0.408 344 V N 4.629 124.518 119.914 -0.042 0.000 2.483 344 V HA 0.333 4.453 4.120 -0.000 0.000 0.297 344 V C -0.284 175.767 176.094 -0.071 0.000 1.027 344 V CA -0.756 61.515 62.300 -0.048 0.000 0.855 344 V CB 1.414 33.219 31.823 -0.030 0.000 0.995 344 V HN 0.653 nan 8.190 nan 0.000 0.424 345 L N 5.703 126.864 121.223 -0.103 0.000 2.349 345 L HA 0.542 4.882 4.340 -0.000 0.000 0.275 345 L C -0.384 176.432 176.870 -0.089 0.000 1.115 345 L CA -0.161 54.602 54.840 -0.128 0.000 0.820 345 L CB 0.844 42.769 42.059 -0.223 0.000 1.135 345 L HN 0.490 nan 8.230 nan 0.000 0.445 346 I N 4.069 124.591 120.570 -0.080 0.000 2.502 346 I HA 0.284 4.454 4.170 -0.000 0.000 0.276 346 I C -1.953 174.122 176.117 -0.070 0.000 1.057 346 I CA -1.646 59.614 61.300 -0.066 0.000 1.163 346 I CB 1.262 39.232 38.000 -0.051 0.000 1.288 346 I HN 0.407 nan 8.210 nan 0.000 0.479 347 P HA 0.000 nan 4.420 nan 0.000 0.216 347 P CA 0.000 63.051 63.100 -0.082 0.000 0.800 347 P CB 0.000 31.639 31.700 -0.102 0.000 0.726