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 3n4f_1_D DATA FIRST_RESID 11 DATA SEQUENCE DWKVEKIEFA KLTGERARSA GANGRIGVHG KSCTVDIARI TIDGQTGYGS DATA SEQUENCE SIHXTPEWAE DVIGRRLLDL FDDRGRLREA YRLQLEYPVL DWLGQRQGKP DATA SEQUENCE VYDLVSGAHL ETGASLVVPC YDTSLYFDDL HLADERAAVA LXQEEAXQGY DATA SEQUENCE AKGQRHFKIK VGRGGRHXPL WEGTKRDIAI VRGISEVAGP AGKIXIDANN DATA SEQUENCE AYNLNLTKEV LAALSDVNLY WLEEAFHEDE ALYEDLKEWL GQRGQNVLIA DATA SEQUENCE DGEGLASPHL IEWATRGRVD VLQYDIIWPG FTHWXELGEK LDAHGLRSAP DATA SEQUENCE HCYGNAYGIY ASGHLSAAVR NFEFVEYDDI TIEGXDVSGY RIENGEIHVP DATA SEQUENCE ATPGFGIVFD DELVTYLINR SGWSEG 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 11 D HA 0.000 nan 4.640 nan 0.000 0.175 11 D C 0.000 176.300 176.300 -0.000 0.000 2.045 11 D CA 0.000 53.888 54.000 -0.186 0.000 0.868 11 D CB 0.000 40.734 40.800 -0.110 0.000 0.688 12 W N 4.170 125.480 121.300 0.018 0.000 2.368 12 W HA 0.417 5.078 4.660 0.001 0.000 0.316 12 W C 0.437 176.905 176.519 -0.084 0.000 1.375 12 W CA -0.444 56.894 57.345 -0.011 0.000 1.261 12 W CB 0.281 29.760 29.460 0.031 0.000 1.298 12 W HN 0.248 nan 8.180 nan 0.000 0.539 13 K N 1.441 121.907 120.400 0.110 0.000 2.435 13 K HA 0.437 4.758 4.320 0.001 0.000 0.251 13 K C -0.896 175.650 176.600 -0.091 0.000 0.954 13 K CA -1.213 55.068 56.287 -0.011 0.000 0.820 13 K CB 2.756 35.257 32.500 0.001 0.000 1.292 13 K HN -0.053 nan 8.250 nan 0.000 0.436 14 V N 3.222 123.059 119.914 -0.129 0.000 2.425 14 V HA -0.029 4.091 4.120 0.001 0.000 0.276 14 V C 0.815 176.858 176.094 -0.085 0.000 1.017 14 V CA 0.740 62.951 62.300 -0.147 0.000 1.062 14 V CB 0.310 32.045 31.823 -0.147 0.000 0.997 14 V HN 0.819 nan 8.190 nan 0.000 0.476 15 E N 3.162 123.316 120.200 -0.077 0.000 2.201 15 E HA 0.186 4.537 4.350 0.001 0.000 0.193 15 E C 0.680 177.269 176.600 -0.019 0.000 0.957 15 E CA 0.289 56.668 56.400 -0.035 0.000 0.858 15 E CB 0.620 30.307 29.700 -0.021 0.000 0.816 15 E HN 0.552 nan 8.360 nan 0.000 0.475 16 K N 0.754 121.137 120.400 -0.028 0.000 2.523 16 K HA 0.440 4.761 4.320 0.001 0.000 0.257 16 K C -1.782 174.816 176.600 -0.004 0.000 0.932 16 K CA -0.431 55.855 56.287 -0.001 0.000 0.812 16 K CB 1.666 34.163 32.500 -0.005 0.000 1.326 16 K HN -0.088 nan 8.250 nan 0.000 0.433 17 I N 3.130 123.736 120.570 0.060 0.000 2.447 17 I HA 0.278 4.449 4.170 0.001 0.000 0.287 17 I C -0.621 175.530 176.117 0.057 0.000 1.023 17 I CA -0.557 60.789 61.300 0.076 0.000 1.083 17 I CB 2.018 40.145 38.000 0.211 0.000 1.245 17 I HN 0.508 nan 8.210 nan 0.000 0.434 18 E N 5.304 125.440 120.200 -0.106 0.000 2.244 18 E HA 0.572 4.922 4.350 0.001 0.000 0.266 18 E C -1.545 174.808 176.600 -0.413 0.000 0.914 18 E CA -0.754 55.512 56.400 -0.222 0.000 0.794 18 E CB 3.109 32.704 29.700 -0.175 0.000 1.210 18 E HN 0.352 nan 8.360 nan 0.000 0.414 19 F N 1.219 120.657 119.950 -0.852 0.000 2.569 19 F HA 0.711 5.239 4.527 0.001 0.000 0.312 19 F C -1.506 173.946 175.800 -0.580 0.000 1.109 19 F CA -0.448 57.007 58.000 -0.909 0.000 0.919 19 F CB 1.617 39.587 39.000 -1.717 0.000 1.211 19 F HN 0.537 nan 8.300 nan 0.000 0.446 20 A N 5.163 127.403 122.820 -0.966 0.000 2.589 20 A HA 0.548 4.868 4.320 0.001 0.000 0.296 20 A C -1.853 175.342 177.584 -0.649 0.000 1.062 20 A CA -0.942 50.768 52.037 -0.545 0.000 0.686 20 A CB 1.723 20.556 19.000 -0.277 0.000 1.282 20 A HN 0.733 nan 8.150 nan 0.000 0.404 21 K N 2.131 122.357 120.400 -0.291 0.000 2.281 21 K HA 0.544 4.865 4.320 0.001 0.000 0.272 21 K C -1.335 175.202 176.600 -0.104 0.000 1.048 21 K CA -0.537 55.640 56.287 -0.183 0.000 0.898 21 K CB 0.367 32.852 32.500 -0.024 0.000 1.128 21 K HN 0.536 nan 8.250 nan 0.000 0.460 22 L N 3.300 124.462 121.223 -0.101 0.000 2.375 22 L HA 0.344 4.685 4.340 0.001 0.000 0.271 22 L C 0.360 177.212 176.870 -0.029 0.000 1.107 22 L CA 0.178 54.994 54.840 -0.041 0.000 0.806 22 L CB 1.583 43.639 42.059 -0.005 0.000 1.146 22 L HN 0.769 nan 8.230 nan 0.000 0.447 23 T N -0.668 113.875 114.554 -0.018 0.000 2.907 23 T HA 0.970 5.321 4.350 0.001 0.000 0.292 23 T C -0.146 174.540 174.700 -0.023 0.000 1.043 23 T CA -0.319 61.770 62.100 -0.019 0.000 1.003 23 T CB 2.099 70.962 68.868 -0.010 0.000 1.084 23 T HN 0.833 nan 8.240 nan 0.000 0.483 24 G N 0.421 109.202 108.800 -0.030 0.000 2.578 24 G HA2 0.614 4.575 3.960 0.001 0.000 0.302 24 G HA3 0.614 4.575 3.960 0.001 0.000 0.302 24 G C -2.052 172.823 174.900 -0.041 0.000 1.243 24 G CA -0.858 44.220 45.100 -0.036 0.000 0.843 24 G HN 0.808 nan 8.290 nan 0.000 0.486 25 E N -0.281 119.891 120.200 -0.047 0.000 2.356 25 E HA 0.394 4.745 4.350 0.001 0.000 0.275 25 E C -0.707 175.857 176.600 -0.060 0.000 0.904 25 E CA -0.808 55.564 56.400 -0.047 0.000 0.757 25 E CB 2.928 32.609 29.700 -0.031 0.000 1.232 25 E HN 0.355 nan 8.360 nan 0.000 0.442 26 R N 0.491 120.950 120.500 -0.068 0.000 2.594 26 R HA 0.215 4.556 4.340 0.001 0.000 0.272 26 R C 1.018 177.297 176.300 -0.034 0.000 1.074 26 R CA 0.352 56.410 56.100 -0.070 0.000 1.105 26 R CB 0.666 30.919 30.300 -0.079 0.000 1.008 26 R HN 0.680 nan 8.270 nan 0.000 0.472 27 A N 3.024 125.834 122.820 -0.017 0.000 1.978 27 A HA -0.137 4.184 4.320 0.001 0.000 0.220 27 A C 0.937 178.530 177.584 0.015 0.000 1.170 27 A CA 1.309 53.352 52.037 0.010 0.000 0.636 27 A CB -0.054 18.967 19.000 0.035 0.000 0.810 27 A HN 0.644 nan 8.150 nan 0.000 0.448 28 R N -0.588 119.920 120.500 0.013 0.000 2.564 28 R HA 0.385 4.725 4.340 0.001 0.000 0.284 28 R C -0.798 175.503 176.300 0.002 0.000 1.031 28 R CA -0.185 55.926 56.100 0.019 0.000 0.904 28 R CB 1.459 31.786 30.300 0.045 0.000 1.199 28 R HN 0.191 nan 8.270 nan 0.000 0.443 29 S N 2.405 118.105 115.700 -0.001 0.000 2.552 29 S HA 0.291 4.761 4.470 0.001 0.000 0.289 29 S C -0.182 174.407 174.600 -0.019 0.000 1.304 29 S CA -0.059 58.133 58.200 -0.013 0.000 1.063 29 S CB 0.469 63.664 63.200 -0.007 0.000 0.848 29 S HN 0.596 nan 8.310 nan 0.000 0.499 30 A N 4.456 127.237 122.820 -0.065 0.000 2.301 30 A HA 0.688 5.009 4.320 0.001 0.000 0.298 30 A C 0.861 178.407 177.584 -0.064 0.000 1.185 30 A CA -0.171 51.760 52.037 -0.176 0.000 0.830 30 A CB 0.544 19.244 19.000 -0.501 0.000 1.112 30 A HN 1.034 nan 8.150 nan 0.000 0.508 31 G N 0.531 109.357 108.800 0.044 0.000 2.582 31 G HA2 0.558 4.519 3.960 0.001 0.000 0.232 31 G HA3 0.558 4.519 3.960 0.001 0.000 0.232 31 G C 0.563 175.604 174.900 0.234 0.000 1.458 31 G CA 0.105 45.291 45.100 0.144 0.000 1.062 31 G HN 1.358 nan 8.290 nan 0.000 0.566 32 A N -0.352 122.567 122.820 0.165 0.000 2.296 32 A HA 0.579 4.899 4.320 0.001 0.000 0.264 32 A C 0.364 177.793 177.584 -0.259 0.000 1.097 32 A CA 0.085 52.140 52.037 0.030 0.000 0.811 32 A CB 0.338 19.189 19.000 -0.247 0.000 1.072 32 A HN 0.970 nan 8.150 nan 0.000 0.495 33 N N -1.529 116.943 118.700 -0.380 0.000 3.091 33 N HA 0.465 5.205 4.740 0.001 0.000 0.329 33 N C 0.938 176.084 175.510 -0.607 0.000 1.430 33 N CA -0.046 52.427 53.050 -0.962 0.000 0.755 33 N CB 0.172 38.344 38.487 -0.525 0.000 1.626 33 N HN 0.507 nan 8.380 nan 0.000 0.614 34 G N -0.814 107.746 108.800 -0.400 0.000 2.462 34 G HA2 -0.271 3.689 3.960 0.001 0.000 0.220 34 G HA3 -0.271 3.689 3.960 0.001 0.000 0.220 34 G C 1.203 176.173 174.900 0.116 0.000 1.121 34 G CA 1.309 46.465 45.100 0.094 0.000 0.758 34 G HN 0.793 nan 8.290 nan 0.000 0.559 35 R N -0.573 119.967 120.500 0.067 0.000 2.287 35 R HA 0.442 4.783 4.340 0.001 0.000 0.197 35 R C 1.195 177.555 176.300 0.100 0.000 0.900 35 R CA 0.224 56.353 56.100 0.047 0.000 1.052 35 R CB -0.166 30.146 30.300 0.021 0.000 1.117 35 R HN 0.478 nan 8.270 nan 0.000 0.568 36 I N -2.701 117.991 120.570 0.202 0.000 3.343 36 I HA 0.731 4.901 4.170 0.001 0.000 0.315 36 I C 0.023 176.284 176.117 0.240 0.000 1.153 36 I CA -1.536 59.880 61.300 0.194 0.000 0.952 36 I CB 1.650 39.685 38.000 0.058 0.000 1.287 36 I HN -0.031 nan 8.210 nan 0.000 0.472 37 G N 1.013 109.879 108.800 0.110 0.000 2.489 37 G HA2 0.422 4.383 3.960 0.001 0.000 0.271 37 G HA3 0.422 4.383 3.960 0.001 0.000 0.271 37 G C -0.254 174.638 174.900 -0.013 0.000 1.427 37 G CA -0.661 44.463 45.100 0.040 0.000 1.057 37 G HN 0.510 nan 8.290 nan 0.000 0.532 38 V N 0.311 120.224 119.914 -0.001 0.000 2.694 38 V HA 0.024 4.144 4.120 0.001 0.000 0.306 38 V C 1.036 177.123 176.094 -0.012 0.000 1.054 38 V CA 0.602 62.927 62.300 0.042 0.000 1.161 38 V CB 0.776 32.613 31.823 0.023 0.000 0.916 38 V HN 0.741 nan 8.190 nan 0.000 0.490 39 H N 2.370 121.422 119.070 -0.029 0.000 2.520 39 H HA 0.395 4.951 4.556 0.001 0.000 0.279 39 H C 1.199 176.506 175.328 -0.036 0.000 0.990 39 H CA 0.842 56.875 56.048 -0.025 0.000 1.288 39 H CB 0.172 29.894 29.762 -0.068 0.000 1.446 39 H HN 1.048 nan 8.280 nan 0.000 0.538 40 G N 0.211 109.045 108.800 0.056 0.000 2.660 40 G HA2 -0.292 3.668 3.960 0.001 0.000 0.215 40 G HA3 -0.292 3.668 3.960 0.001 0.000 0.215 40 G C 0.493 175.388 174.900 -0.008 0.000 1.345 40 G CA 0.113 45.220 45.100 0.012 0.000 0.877 40 G HN 0.344 nan 8.290 nan 0.000 0.549 41 K N -0.570 119.820 120.400 -0.017 0.000 2.399 41 K HA 0.403 4.723 4.320 0.001 0.000 0.196 41 K C 1.418 177.994 176.600 -0.039 0.000 1.117 41 K CA 0.835 57.105 56.287 -0.029 0.000 0.965 41 K CB 0.225 32.713 32.500 -0.021 0.000 0.983 41 K HN 0.681 nan 8.250 nan 0.000 0.531 42 S N 0.529 116.211 115.700 -0.030 0.000 2.528 42 S HA 0.231 4.701 4.470 0.001 0.000 0.277 42 S C -0.504 174.068 174.600 -0.046 0.000 1.297 42 S CA -0.614 57.567 58.200 -0.032 0.000 1.052 42 S CB 0.215 63.403 63.200 -0.019 0.000 0.917 42 S HN 0.301 nan 8.310 nan 0.000 0.492 43 C N 3.558 122.825 119.300 -0.055 0.000 2.634 43 C HA 0.898 5.358 4.460 0.001 0.000 0.313 43 C C 0.294 175.254 174.990 -0.050 0.000 1.198 43 C CA -0.724 58.251 59.018 -0.072 0.000 1.605 43 C CB 1.194 28.869 27.740 -0.107 0.000 2.196 43 C HN 1.007 nan 8.230 nan 0.000 0.486 44 T N -0.850 113.677 114.554 -0.045 0.000 2.883 44 T HA 0.860 5.211 4.350 0.001 0.000 0.296 44 T C -1.357 173.322 174.700 -0.035 0.000 1.117 44 T CA -0.582 61.499 62.100 -0.033 0.000 1.006 44 T CB 1.465 70.323 68.868 -0.015 0.000 1.191 44 T HN 0.526 nan 8.240 nan 0.000 0.508 45 V N 1.544 121.433 119.914 -0.041 0.000 2.610 45 V HA 0.372 4.493 4.120 0.001 0.000 0.298 45 V C -1.370 174.653 176.094 -0.119 0.000 1.067 45 V CA -0.990 61.278 62.300 -0.053 0.000 0.894 45 V CB 1.853 33.663 31.823 -0.021 0.000 1.015 45 V HN 0.990 nan 8.190 nan 0.000 0.432 46 D N 5.030 125.348 120.400 -0.136 0.000 2.343 46 D HA 0.502 5.143 4.640 0.001 0.000 0.255 46 D C 0.007 176.064 176.300 -0.406 0.000 1.187 46 D CA 0.311 54.131 54.000 -0.299 0.000 0.875 46 D CB 1.591 42.348 40.800 -0.071 0.000 1.136 46 D HN 0.686 nan 8.370 nan 0.000 0.469 47 I N -1.471 118.736 120.570 -0.605 0.000 2.740 47 I HA 0.812 4.982 4.170 0.001 0.000 0.303 47 I C -1.012 174.749 176.117 -0.593 0.000 1.044 47 I CA -1.210 59.779 61.300 -0.519 0.000 1.064 47 I CB 2.294 40.040 38.000 -0.424 0.000 1.249 47 I HN 0.242 nan 8.210 nan 0.000 0.433 48 A N 4.943 127.531 122.820 -0.387 0.000 2.331 48 A HA 0.693 5.014 4.320 0.001 0.000 0.320 48 A C -0.561 176.821 177.584 -0.338 0.000 1.138 48 A CA -0.799 51.060 52.037 -0.296 0.000 0.790 48 A CB 1.191 20.127 19.000 -0.106 0.000 1.206 48 A HN 0.856 nan 8.150 nan 0.000 0.470 49 R N 2.882 123.149 120.500 -0.388 0.000 2.246 49 R HA 0.611 4.951 4.340 0.001 0.000 0.332 49 R C -1.275 174.837 176.300 -0.313 0.000 0.974 49 R CA -0.297 55.480 56.100 -0.539 0.000 0.837 49 R CB 0.546 30.436 30.300 -0.684 0.000 1.145 49 R HN 0.764 nan 8.270 nan 0.000 0.467 50 I N 3.119 123.542 120.570 -0.245 0.000 2.460 50 I HA 0.344 4.515 4.170 0.001 0.000 0.298 50 I C -0.786 175.251 176.117 -0.134 0.000 0.989 50 I CA -0.462 60.751 61.300 -0.146 0.000 1.173 50 I CB 2.157 40.091 38.000 -0.110 0.000 1.338 50 I HN 0.615 nan 8.210 nan 0.000 0.456 51 T N 7.891 122.372 114.554 -0.122 0.000 2.772 51 T HA 0.568 4.919 4.350 0.001 0.000 0.288 51 T C -0.364 174.234 174.700 -0.171 0.000 0.994 51 T CA -0.260 61.792 62.100 -0.080 0.000 0.951 51 T CB 0.657 69.499 68.868 -0.044 0.000 0.933 51 T HN 0.286 nan 8.240 nan 0.000 0.447 52 I N 2.402 122.824 120.570 -0.247 0.000 2.447 52 I HA 0.294 4.464 4.170 0.001 0.000 0.287 52 I C -0.077 176.035 176.117 -0.008 0.000 1.023 52 I CA -0.747 60.304 61.300 -0.415 0.000 1.083 52 I CB 1.740 38.956 38.000 -1.306 0.000 1.245 52 I HN 0.647 nan 8.210 nan 0.000 0.434 53 D N 5.495 125.910 120.400 0.025 0.000 2.735 53 D HA -0.192 4.448 4.640 0.001 0.000 0.235 53 D C 1.175 177.542 176.300 0.111 0.000 1.175 53 D CA 1.471 55.538 54.000 0.111 0.000 0.683 53 D CB -0.593 40.278 40.800 0.118 0.000 1.008 53 D HN 1.112 nan 8.370 nan 0.000 0.416 54 G N 0.237 109.088 108.800 0.085 0.000 2.196 54 G HA2 -0.398 3.562 3.960 0.001 0.000 0.268 54 G HA3 -0.398 3.562 3.960 0.001 0.000 0.268 54 G C 0.242 175.187 174.900 0.076 0.000 0.975 54 G CA 0.870 46.009 45.100 0.066 0.000 0.648 54 G HN 0.791 nan 8.290 nan 0.000 0.538 55 Q N 0.523 120.420 119.800 0.162 0.000 2.345 55 Q HA 0.653 4.993 4.340 0.001 0.000 0.268 55 Q C 0.248 176.422 176.000 0.290 0.000 1.054 55 Q CA -0.093 55.802 55.803 0.154 0.000 0.835 55 Q CB 1.447 30.180 28.738 -0.010 0.000 1.339 55 Q HN 0.436 nan 8.270 nan 0.000 0.447 56 T N -0.549 114.092 114.554 0.145 0.000 2.925 56 T HA 0.867 5.217 4.350 0.001 0.000 0.285 56 T C -0.036 174.753 174.700 0.150 0.000 1.021 56 T CA -0.647 61.516 62.100 0.105 0.000 1.042 56 T CB 1.662 70.474 68.868 -0.094 0.000 1.037 56 T HN 0.623 nan 8.240 nan 0.000 0.481 57 G N 0.568 109.433 108.800 0.107 0.000 2.620 57 G HA2 0.620 4.580 3.960 0.001 0.000 0.301 57 G HA3 0.620 4.580 3.960 0.001 0.000 0.301 57 G C -1.908 172.935 174.900 -0.095 0.000 1.347 57 G CA -0.848 44.337 45.100 0.142 0.000 0.971 57 G HN 0.666 nan 8.290 nan 0.000 0.488 58 Y N -0.223 120.066 120.300 -0.018 0.000 2.567 58 Y HA 0.790 5.340 4.550 0.001 0.000 0.333 58 Y C 0.800 176.606 175.900 -0.156 0.000 1.106 58 Y CA 0.181 58.113 58.100 -0.280 0.000 1.157 58 Y CB 2.906 40.923 38.460 -0.738 0.000 1.277 58 Y HN 0.971 nan 8.280 nan 0.000 0.490 59 G N -0.140 108.534 108.800 -0.211 0.000 2.340 59 G HA2 0.269 4.229 3.960 0.001 0.000 0.298 59 G HA3 0.269 4.229 3.960 0.001 0.000 0.298 59 G C -1.411 173.117 174.900 -0.621 0.000 1.498 59 G CA -0.943 43.918 45.100 -0.398 0.000 0.847 59 G HN 0.607 nan 8.290 nan 0.000 0.594 60 S N -0.539 114.472 115.700 -1.147 0.000 2.573 60 S HA 0.430 4.901 4.470 0.001 0.000 0.297 60 S C 0.453 174.956 174.600 -0.161 0.000 1.280 60 S CA 1.120 58.951 58.200 -0.616 0.000 1.061 60 S CB 0.587 63.460 63.200 -0.544 0.000 0.812 60 S HN 1.838 nan 8.310 nan 0.000 0.500 61 S N 4.244 119.886 115.700 -0.097 0.000 2.677 61 S HA 0.647 5.118 4.470 0.001 0.000 0.283 61 S C -0.665 174.011 174.600 0.126 0.000 1.159 61 S CA -0.874 57.351 58.200 0.041 0.000 1.001 61 S CB 0.299 63.536 63.200 0.062 0.000 1.032 61 S HN 0.855 nan 8.310 nan 0.000 0.487 62 I N 0.917 121.543 120.570 0.093 0.000 3.042 62 I HA 0.709 4.880 4.170 0.001 0.000 0.310 62 I C -0.205 175.964 176.117 0.087 0.000 1.117 62 I CA -0.901 60.467 61.300 0.114 0.000 1.003 62 I CB 1.586 39.614 38.000 0.046 0.000 1.228 62 I HN 0.935 nan 8.210 nan 0.000 0.443 66 P HA 0.021 nan 4.420 nan 0.000 0.218 66 P C 1.131 178.141 177.300 -0.483 0.000 1.149 66 P CA 1.158 63.458 63.100 -1.334 0.000 0.817 66 P CB 0.078 31.030 31.700 -1.247 0.000 0.785 67 E N -1.563 118.460 120.200 -0.295 0.000 2.047 67 E HA -0.189 4.162 4.350 0.001 0.000 0.191 67 E C 1.794 178.382 176.600 -0.021 0.000 0.987 67 E CA 1.067 57.390 56.400 -0.129 0.000 0.799 67 E CB -1.028 28.614 29.700 -0.096 0.000 0.752 67 E HN 0.283 nan 8.360 nan 0.000 0.449 68 W N 1.361 122.579 121.300 -0.136 0.000 2.318 68 W HA -0.267 4.393 4.660 0.001 0.000 0.313 68 W C 2.314 178.831 176.519 -0.003 0.000 1.221 68 W CA 2.336 59.651 57.345 -0.049 0.000 1.266 68 W CB -0.262 29.188 29.460 -0.018 0.000 1.150 68 W HN 0.088 nan 8.180 nan 0.000 0.496 69 A N -0.163 122.891 122.820 0.390 0.000 2.015 69 A HA -0.195 4.126 4.320 0.001 0.000 0.219 69 A C 1.798 179.424 177.584 0.071 0.000 1.163 69 A CA 1.756 53.998 52.037 0.341 0.000 0.646 69 A CB -0.739 18.575 19.000 0.524 0.000 0.806 69 A HN 0.503 nan 8.150 nan 0.000 0.448 70 E N -0.022 120.171 120.200 -0.012 0.000 2.077 70 E HA -0.187 4.163 4.350 0.001 0.000 0.193 70 E C 0.924 177.470 176.600 -0.090 0.000 0.989 70 E CA 1.239 57.612 56.400 -0.045 0.000 0.800 70 E CB -0.180 29.483 29.700 -0.062 0.000 0.746 70 E HN 0.522 nan 8.360 nan 0.000 0.452 71 D N -0.245 120.059 120.400 -0.159 0.000 2.378 71 D HA -0.082 4.558 4.640 0.001 0.000 0.222 71 D C 1.526 177.701 176.300 -0.208 0.000 0.980 71 D CA 0.432 54.316 54.000 -0.192 0.000 0.907 71 D CB 0.294 40.943 40.800 -0.252 0.000 0.899 71 D HN 0.065 nan 8.370 nan 0.000 0.527 72 V N 0.428 120.211 119.914 -0.219 0.000 3.263 72 V HA 0.021 4.142 4.120 0.001 0.000 0.248 72 V C 1.007 177.033 176.094 -0.113 0.000 1.145 72 V CA -0.089 62.099 62.300 -0.188 0.000 1.107 72 V CB 0.329 32.020 31.823 -0.221 0.000 0.797 72 V HN 0.088 nan 8.190 nan 0.000 0.467 73 I N 2.329 122.856 120.570 -0.072 0.000 2.741 73 I HA 0.220 4.390 4.170 0.001 0.000 0.288 73 I C 1.536 177.621 176.117 -0.053 0.000 1.192 73 I CA 1.715 62.987 61.300 -0.046 0.000 1.426 73 I CB -0.587 37.404 38.000 -0.015 0.000 1.367 73 I HN 0.494 nan 8.210 nan 0.000 0.563 74 G N 5.589 114.358 108.800 -0.052 0.000 2.175 74 G HA2 -0.269 3.692 3.960 0.001 0.000 0.244 74 G HA3 -0.269 3.692 3.960 0.001 0.000 0.244 74 G C 0.616 175.485 174.900 -0.052 0.000 0.982 74 G CA -0.126 44.948 45.100 -0.043 0.000 0.641 74 G HN 0.577 nan 8.290 nan 0.000 0.527 75 R N 0.594 121.047 120.500 -0.077 0.000 2.490 75 R HA 0.533 4.874 4.340 0.001 0.000 0.278 75 R C 0.937 177.185 176.300 -0.087 0.000 1.069 75 R CA -0.629 55.419 56.100 -0.087 0.000 1.080 75 R CB 0.367 30.589 30.300 -0.129 0.000 1.030 75 R HN 0.273 nan 8.270 nan 0.000 0.491 76 R N 2.548 123.010 120.500 -0.063 0.000 2.537 76 R HA -0.062 4.278 4.340 0.001 0.000 0.280 76 R C 1.157 177.421 176.300 -0.060 0.000 1.058 76 R CA -0.228 55.849 56.100 -0.038 0.000 1.057 76 R CB 0.509 30.800 30.300 -0.015 0.000 0.973 76 R HN 0.464 nan 8.270 nan 0.000 0.438 77 L N 4.341 125.552 121.223 -0.021 0.000 2.083 77 L HA -0.133 4.207 4.340 0.001 0.000 0.209 77 L C 1.782 178.736 176.870 0.140 0.000 1.083 77 L CA 1.672 56.507 54.840 -0.008 0.000 0.752 77 L CB -0.377 41.702 42.059 0.033 0.000 0.899 77 L HN 0.700 nan 8.230 nan 0.000 0.433 78 L N -0.960 120.366 121.223 0.173 0.000 2.275 78 L HA -0.153 4.187 4.340 0.001 0.000 0.215 78 L C 1.752 178.724 176.870 0.171 0.000 1.119 78 L CA 0.854 55.832 54.840 0.230 0.000 0.790 78 L CB -0.388 41.738 42.059 0.111 0.000 0.919 78 L HN 0.322 nan 8.230 nan 0.000 0.443 79 D N -0.376 120.059 120.400 0.059 0.000 2.277 79 D HA -0.082 4.559 4.640 0.001 0.000 0.208 79 D C 2.192 178.473 176.300 -0.032 0.000 0.962 79 D CA 0.836 54.848 54.000 0.021 0.000 0.865 79 D CB 0.219 41.011 40.800 -0.014 0.000 0.939 79 D HN 0.366 nan 8.370 nan 0.000 0.510 80 L N -0.396 120.708 121.223 -0.199 0.000 2.376 80 L HA -0.007 4.333 4.340 0.001 0.000 0.219 80 L C 0.586 177.274 176.870 -0.304 0.000 1.133 80 L CA 0.386 54.926 54.840 -0.501 0.000 0.816 80 L CB -0.146 41.437 42.059 -0.795 0.000 0.933 80 L HN -0.132 nan 8.230 nan 0.000 0.449 81 F N -0.801 119.165 119.950 0.027 0.000 2.450 81 F HA 0.325 4.852 4.527 0.001 0.000 0.328 81 F C 0.533 176.382 175.800 0.082 0.000 1.068 81 F CA -0.756 57.289 58.000 0.074 0.000 1.007 81 F CB 0.755 39.793 39.000 0.063 0.000 1.251 81 F HN -0.249 nan 8.300 nan 0.000 0.492 82 D N -0.160 120.425 120.400 0.309 0.000 2.442 82 D HA 0.118 4.758 4.640 0.001 0.000 0.254 82 D C 0.668 177.062 176.300 0.157 0.000 1.069 82 D CA -0.317 53.797 54.000 0.190 0.000 1.017 82 D CB 0.951 41.839 40.800 0.146 0.000 1.172 82 D HN 0.574 nan 8.370 nan 0.000 0.561 83 D N 0.106 120.567 120.400 0.101 0.000 2.354 83 D HA -0.179 4.461 4.640 0.001 0.000 0.216 83 D C 0.911 177.245 176.300 0.056 0.000 0.970 83 D CA 0.631 54.670 54.000 0.066 0.000 0.905 83 D CB 0.142 40.971 40.800 0.048 0.000 0.903 83 D HN 0.167 nan 8.370 nan 0.000 0.508 84 R N -0.092 120.453 120.500 0.076 0.000 2.297 84 R HA 0.171 4.511 4.340 0.001 0.000 0.197 84 R C 1.473 177.816 176.300 0.071 0.000 0.943 84 R CA 0.631 56.770 56.100 0.066 0.000 1.038 84 R CB -0.207 30.135 30.300 0.071 0.000 0.957 84 R HN 0.358 nan 8.270 nan 0.000 0.484 85 G N 2.042 110.891 108.800 0.082 0.000 2.182 85 G HA2 -0.310 3.651 3.960 0.001 0.000 0.248 85 G HA3 -0.310 3.651 3.960 0.001 0.000 0.248 85 G C -0.256 174.772 174.900 0.212 0.000 1.042 85 G CA -0.007 45.115 45.100 0.036 0.000 0.775 85 G HN 0.283 nan 8.290 nan 0.000 0.501 86 R N -0.922 119.774 120.500 0.326 0.000 2.494 86 R HA 0.588 4.928 4.340 0.001 0.000 0.305 86 R C 0.341 176.875 176.300 0.389 0.000 0.959 86 R CA -1.040 55.270 56.100 0.349 0.000 0.864 86 R CB 1.438 31.860 30.300 0.204 0.000 1.159 86 R HN 0.143 nan 8.270 nan 0.000 0.446 87 L N 3.382 124.782 121.223 0.294 0.000 2.578 87 L HA -0.020 4.320 4.340 0.001 0.000 0.279 87 L C 0.686 177.642 176.870 0.143 0.000 1.227 87 L CA 0.863 55.725 54.840 0.036 0.000 0.900 87 L CB 0.061 42.115 42.059 -0.008 0.000 1.144 87 L HN 0.364 nan 8.230 nan 0.000 0.496 88 R N 2.814 123.428 120.500 0.189 0.000 2.679 88 R HA -0.039 4.301 4.340 0.001 0.000 0.268 88 R C 1.426 177.810 176.300 0.140 0.000 1.044 88 R CA 0.200 56.417 56.100 0.196 0.000 1.105 88 R CB 0.322 30.776 30.300 0.257 0.000 0.989 88 R HN 0.755 nan 8.270 nan 0.000 0.447 89 E N 1.798 122.040 120.200 0.070 0.000 2.171 89 E HA -0.267 4.083 4.350 0.001 0.000 0.197 89 E C 1.288 177.899 176.600 0.018 0.000 0.997 89 E CA 1.623 58.054 56.400 0.052 0.000 0.810 89 E CB -0.151 29.572 29.700 0.040 0.000 0.738 89 E HN 0.664 nan 8.360 nan 0.000 0.467 90 A N 0.061 122.814 122.820 -0.112 0.000 2.167 90 A HA -0.017 4.303 4.320 0.001 0.000 0.214 90 A C 0.940 178.455 177.584 -0.116 0.000 1.151 90 A CA 0.582 52.505 52.037 -0.191 0.000 0.735 90 A CB -0.388 18.362 19.000 -0.417 0.000 0.802 90 A HN 0.397 nan 8.150 nan 0.000 0.467 91 Y N -1.170 119.268 120.300 0.230 0.000 2.444 91 Y HA 0.235 4.786 4.550 0.001 0.000 0.249 91 Y C 2.179 178.164 175.900 0.141 0.000 1.134 91 Y CA -0.401 57.858 58.100 0.267 0.000 1.261 91 Y CB -0.042 38.501 38.460 0.137 0.000 1.143 91 Y HN 0.162 nan 8.280 nan 0.000 0.523 92 R N 0.508 121.129 120.500 0.202 0.000 2.075 92 R HA -0.113 4.228 4.340 0.001 0.000 0.230 92 R C 1.856 178.213 176.300 0.095 0.000 1.140 92 R CA 1.916 58.095 56.100 0.133 0.000 0.928 92 R CB -0.694 29.678 30.300 0.121 0.000 0.834 92 R HN 0.289 nan 8.270 nan 0.000 0.429 93 L N 0.515 121.778 121.223 0.066 0.000 2.131 93 L HA -0.188 4.152 4.340 0.001 0.000 0.210 93 L C 2.234 179.105 176.870 0.003 0.000 1.092 93 L CA 1.244 56.102 54.840 0.030 0.000 0.759 93 L CB -0.394 41.625 42.059 -0.068 0.000 0.903 93 L HN 0.178 nan 8.230 nan 0.000 0.435 94 Q N -0.408 119.353 119.800 -0.065 0.000 2.204 94 Q HA 0.083 4.423 4.340 0.001 0.000 0.198 94 Q C 1.801 177.826 176.000 0.041 0.000 0.946 94 Q CA 1.006 56.726 55.803 -0.139 0.000 0.859 94 Q CB 0.261 28.602 28.738 -0.660 0.000 0.946 94 Q HN 0.427 nan 8.270 nan 0.000 0.474 95 L N -0.273 121.023 121.223 0.122 0.000 3.039 95 L HA 0.171 4.512 4.340 0.001 0.000 0.269 95 L C 1.790 178.718 176.870 0.097 0.000 1.169 95 L CA 0.087 55.014 54.840 0.144 0.000 0.986 95 L CB 0.169 42.359 42.059 0.220 0.000 1.377 95 L HN 0.266 nan 8.230 nan 0.000 0.575 96 E N 0.723 120.962 120.200 0.064 0.000 2.085 96 E HA -0.264 4.086 4.350 0.001 0.000 0.194 96 E C 1.660 178.245 176.600 -0.026 0.000 0.994 96 E CA 1.706 58.097 56.400 -0.016 0.000 0.801 96 E CB -0.333 29.322 29.700 -0.075 0.000 0.743 96 E HN 0.429 nan 8.360 nan 0.000 0.453 97 Y N 1.266 121.657 120.300 0.152 0.000 2.133 97 Y HA -0.003 4.547 4.550 0.001 0.000 0.287 97 Y C -0.441 175.593 175.900 0.222 0.000 1.134 97 Y CA 1.002 59.214 58.100 0.186 0.000 1.133 97 Y CB -1.446 37.032 38.460 0.030 0.000 0.987 97 Y HN 0.184 nan 8.280 nan 0.000 0.502 98 P HA -0.168 nan 4.420 nan 0.000 0.216 98 P C 1.848 179.268 177.300 0.199 0.000 1.150 98 P CA 1.665 64.858 63.100 0.156 0.000 0.837 98 P CB 0.017 31.742 31.700 0.040 0.000 0.786 99 V N -0.801 119.211 119.914 0.163 0.000 2.379 99 V HA -0.189 3.932 4.120 0.001 0.000 0.245 99 V C 2.428 178.684 176.094 0.269 0.000 1.044 99 V CA 1.519 63.917 62.300 0.164 0.000 1.036 99 V CB -1.157 30.689 31.823 0.038 0.000 0.664 99 V HN 0.052 nan 8.190 nan 0.000 0.453 100 L N 0.026 121.389 121.223 0.233 0.000 2.046 100 L HA -0.203 4.138 4.340 0.001 0.000 0.208 100 L C 2.344 179.250 176.870 0.060 0.000 1.077 100 L CA 2.080 57.006 54.840 0.143 0.000 0.747 100 L CB -0.627 41.455 42.059 0.038 0.000 0.896 100 L HN 0.404 nan 8.230 nan 0.000 0.432 101 D N -0.793 119.738 120.400 0.219 0.000 2.117 101 D HA -0.262 4.378 4.640 0.001 0.000 0.197 101 D C 1.979 178.369 176.300 0.150 0.000 0.987 101 D CA 1.043 55.159 54.000 0.193 0.000 0.829 101 D CB -0.116 40.954 40.800 0.450 0.000 0.961 101 D HN 0.303 nan 8.370 nan 0.000 0.460 102 W N 0.726 122.047 121.300 0.035 0.000 2.335 102 W HA -0.157 4.503 4.660 0.001 0.000 0.311 102 W C 1.951 178.435 176.519 -0.058 0.000 1.213 102 W CA 1.380 58.712 57.345 -0.023 0.000 1.274 102 W CB -0.447 28.991 29.460 -0.038 0.000 1.148 102 W HN 0.021 nan 8.180 nan 0.000 0.498 103 L N 0.418 121.798 121.223 0.262 0.000 2.042 103 L HA -0.175 4.166 4.340 0.001 0.000 0.210 103 L C 2.705 179.476 176.870 -0.166 0.000 1.076 103 L CA 1.697 56.581 54.840 0.074 0.000 0.749 103 L CB -1.400 40.785 42.059 0.211 0.000 0.893 103 L HN 0.256 nan 8.230 nan 0.000 0.432 104 G N -1.472 107.239 108.800 -0.149 0.000 2.418 104 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 104 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 104 G C 1.466 176.231 174.900 -0.225 0.000 1.158 104 G CA 0.191 45.177 45.100 -0.190 0.000 0.771 104 G HN 0.256 nan 8.290 nan 0.000 0.545 105 Q N 0.236 119.880 119.800 -0.260 0.000 2.030 105 Q HA -0.123 4.217 4.340 0.001 0.000 0.204 105 Q C 2.598 178.361 176.000 -0.396 0.000 0.986 105 Q CA 1.640 57.269 55.803 -0.290 0.000 0.843 105 Q CB -0.470 28.088 28.738 -0.300 0.000 0.904 105 Q HN 0.457 nan 8.270 nan 0.000 0.420 106 R N 1.124 121.234 120.500 -0.649 0.000 2.073 106 R HA -0.119 4.221 4.340 0.001 0.000 0.234 106 R C 1.958 178.032 176.300 -0.376 0.000 1.134 106 R CA 1.784 57.487 56.100 -0.661 0.000 0.952 106 R CB -0.295 29.337 30.300 -1.114 0.000 0.850 106 R HN 0.304 nan 8.270 nan 0.000 0.433 107 Q N -0.843 118.775 119.800 -0.304 0.000 2.451 107 Q HA 0.153 4.493 4.340 0.001 0.000 0.206 107 Q C 0.405 176.315 176.000 -0.150 0.000 0.947 107 Q CA 0.536 56.233 55.803 -0.177 0.000 0.937 107 Q CB 0.475 29.136 28.738 -0.129 0.000 1.025 107 Q HN 0.642 nan 8.270 nan 0.000 0.511 108 G N 1.932 110.629 108.800 -0.171 0.000 2.295 108 G HA2 -0.289 3.671 3.960 0.001 0.000 0.287 108 G HA3 -0.289 3.671 3.960 0.001 0.000 0.287 108 G C -0.383 174.439 174.900 -0.131 0.000 1.055 108 G CA 0.417 45.435 45.100 -0.137 0.000 0.922 108 G HN 0.180 nan 8.290 nan 0.000 0.503 109 K N 0.214 120.522 120.400 -0.154 0.000 2.464 109 K HA 0.487 4.807 4.320 0.001 0.000 0.253 109 K C -2.659 173.810 176.600 -0.218 0.000 0.933 109 K CA -2.154 54.024 56.287 -0.182 0.000 0.801 109 K CB 3.260 35.656 32.500 -0.173 0.000 1.271 109 K HN 0.010 nan 8.250 nan 0.000 0.430 110 P HA 0.004 nan 4.420 nan 0.000 0.275 110 P C 0.865 177.976 177.300 -0.314 0.000 1.228 110 P CA -0.290 62.639 63.100 -0.284 0.000 0.786 110 P CB 0.927 32.357 31.700 -0.449 0.000 0.927 111 V N 2.613 122.400 119.914 -0.212 0.000 2.324 111 V HA -0.306 3.814 4.120 0.001 0.000 0.250 111 V C 2.402 178.538 176.094 0.071 0.000 1.060 111 V CA 2.582 64.736 62.300 -0.244 0.000 1.042 111 V CB -1.871 29.406 31.823 -0.909 0.000 0.650 111 V HN 0.641 nan 8.190 nan 0.000 0.450 112 Y N 0.335 120.840 120.300 0.343 0.000 2.193 112 Y HA -0.257 4.294 4.550 0.001 0.000 0.285 112 Y C 2.257 178.194 175.900 0.060 0.000 1.166 112 Y CA 1.848 60.050 58.100 0.169 0.000 1.181 112 Y CB -1.057 37.385 38.460 -0.030 0.000 0.976 112 Y HN 0.290 nan 8.280 nan 0.000 0.520 113 D N 0.989 121.170 120.400 -0.365 0.000 2.117 113 D HA -0.154 4.487 4.640 0.001 0.000 0.197 113 D C 2.019 178.266 176.300 -0.088 0.000 0.987 113 D CA 1.478 55.333 54.000 -0.242 0.000 0.829 113 D CB -0.118 40.440 40.800 -0.404 0.000 0.961 113 D HN 0.511 nan 8.370 nan 0.000 0.460 114 L N 0.434 121.608 121.223 -0.082 0.000 2.191 114 L HA -0.123 4.218 4.340 0.001 0.000 0.212 114 L C 2.171 179.071 176.870 0.048 0.000 1.103 114 L CA 0.715 55.541 54.840 -0.023 0.000 0.769 114 L CB -0.034 42.004 42.059 -0.035 0.000 0.908 114 L HN 0.058 nan 8.230 nan 0.000 0.438 115 V N -6.226 113.753 119.914 0.109 0.000 3.427 115 V HA 0.260 4.380 4.120 0.001 0.000 0.305 115 V C 0.941 177.118 176.094 0.138 0.000 1.412 115 V CA -0.565 61.836 62.300 0.169 0.000 1.086 115 V CB 0.117 32.128 31.823 0.313 0.000 0.964 115 V HN 0.122 nan 8.190 nan 0.000 0.439 116 S N 2.056 117.810 115.700 0.091 0.000 2.573 116 S HA 0.442 4.913 4.470 0.001 0.000 0.297 116 S C 0.898 175.507 174.600 0.015 0.000 1.280 116 S CA 0.658 58.880 58.200 0.038 0.000 1.061 116 S CB 0.602 63.808 63.200 0.009 0.000 0.812 116 S HN 0.927 nan 8.310 nan 0.000 0.500 117 G N 0.927 109.708 108.800 -0.032 0.000 2.537 117 G HA2 0.532 4.492 3.960 0.001 0.000 0.297 117 G HA3 0.532 4.492 3.960 0.001 0.000 0.297 117 G C 0.828 175.710 174.900 -0.029 0.000 1.310 117 G CA -0.258 44.864 45.100 0.036 0.000 1.027 117 G HN 0.796 nan 8.290 nan 0.000 0.505 118 A N -0.939 121.923 122.820 0.070 0.000 2.209 118 A HA 0.027 4.347 4.320 0.001 0.000 0.212 118 A C 1.744 179.364 177.584 0.059 0.000 1.158 118 A CA 1.548 53.615 52.037 0.050 0.000 0.742 118 A CB -0.670 18.371 19.000 0.069 0.000 0.790 118 A HN 0.786 nan 8.150 nan 0.000 0.472 119 H N -2.315 116.769 119.070 0.023 0.000 2.563 119 H HA 0.335 4.892 4.556 0.000 0.000 0.264 119 H C -0.207 175.125 175.328 0.007 0.000 0.957 119 H CA -0.030 56.027 56.048 0.015 0.000 1.173 119 H CB -0.147 29.625 29.762 0.016 0.000 1.420 119 H HN 0.316 nan 8.280 nan 0.000 0.551 120 L N 2.012 122.973 121.223 -0.437 0.000 2.349 120 L HA 0.309 4.649 4.340 0.001 0.000 0.278 120 L C -0.799 175.989 176.870 -0.137 0.000 0.996 120 L CA -0.694 53.974 54.840 -0.287 0.000 0.825 120 L CB 2.729 44.555 42.059 -0.389 0.000 1.243 120 L HN -0.003 nan 8.230 nan 0.000 0.412 121 E N 1.506 121.665 120.200 -0.069 0.000 2.191 121 E HA 0.413 4.764 4.350 0.001 0.000 0.274 121 E C -0.482 176.107 176.600 -0.018 0.000 0.948 121 E CA -0.465 55.914 56.400 -0.035 0.000 0.802 121 E CB 1.257 30.945 29.700 -0.021 0.000 1.137 121 E HN 0.590 nan 8.360 nan 0.000 0.397 122 T N 1.038 115.585 114.554 -0.011 0.000 2.939 122 T HA 0.280 4.631 4.350 0.001 0.000 0.312 122 T C 1.181 175.883 174.700 0.003 0.000 1.064 122 T CA 0.293 62.391 62.100 -0.002 0.000 1.136 122 T CB 0.506 69.367 68.868 -0.012 0.000 1.035 122 T HN 0.900 nan 8.240 nan 0.000 0.538 123 G N 1.230 110.039 108.800 0.015 0.000 2.241 123 G HA2 -0.014 3.947 3.960 0.001 0.000 0.244 123 G HA3 -0.014 3.947 3.960 0.001 0.000 0.244 123 G C 0.323 175.237 174.900 0.023 0.000 0.998 123 G CA -0.077 45.031 45.100 0.014 0.000 0.621 123 G HN 1.692 nan 8.290 nan 0.000 0.519 124 A N 0.623 123.457 122.820 0.024 0.000 2.409 124 A HA 0.693 5.014 4.320 0.001 0.000 0.267 124 A C 0.878 178.461 177.584 -0.000 0.000 1.127 124 A CA 1.145 53.182 52.037 0.000 0.000 0.795 124 A CB 0.580 19.565 19.000 -0.024 0.000 1.061 124 A HN 1.642 nan 8.150 nan 0.000 0.502 125 S N 1.374 117.056 115.700 -0.031 0.000 2.549 125 S HA 0.217 4.688 4.470 0.001 0.000 0.286 125 S C -0.132 174.350 174.600 -0.197 0.000 1.314 125 S CA -0.300 57.857 58.200 -0.072 0.000 1.062 125 S CB -0.188 62.985 63.200 -0.046 0.000 0.865 125 S HN 0.841 nan 8.310 nan 0.000 0.498 126 L N 7.326 128.330 121.223 -0.365 0.000 2.255 126 L HA 0.593 4.933 4.340 0.001 0.000 0.289 126 L C -1.111 175.506 176.870 -0.421 0.000 1.046 126 L CA -0.028 54.496 54.840 -0.526 0.000 0.816 126 L CB 0.961 42.377 42.059 -1.071 0.000 1.197 126 L HN 0.466 nan 8.230 nan 0.000 0.427 127 V N 6.051 125.742 119.914 -0.371 0.000 2.443 127 V HA 0.543 4.664 4.120 0.001 0.000 0.293 127 V C -0.521 175.398 176.094 -0.291 0.000 1.021 127 V CA -0.645 61.394 62.300 -0.435 0.000 0.848 127 V CB 1.847 33.332 31.823 -0.564 0.000 0.998 127 V HN 0.465 nan 8.190 nan 0.000 0.424 128 V N 6.664 126.442 119.914 -0.225 0.000 2.540 128 V HA 0.467 4.587 4.120 0.001 0.000 0.302 128 V C -2.479 173.590 176.094 -0.041 0.000 1.035 128 V CA -2.384 59.839 62.300 -0.129 0.000 0.873 128 V CB 2.259 34.007 31.823 -0.126 0.000 0.992 128 V HN 0.660 nan 8.190 nan 0.000 0.428 129 P HA 0.202 nan 4.420 nan 0.000 0.266 129 P C -0.576 176.877 177.300 0.256 0.000 1.195 129 P CA 0.045 63.157 63.100 0.021 0.000 0.768 129 P CB 0.293 31.786 31.700 -0.344 0.000 0.838 130 C N 3.003 122.522 119.300 0.365 0.000 2.994 130 C HA 0.908 5.368 4.460 0.001 0.000 0.304 130 C C -1.354 173.759 174.990 0.205 0.000 1.273 130 C CA -1.011 58.169 59.018 0.270 0.000 1.537 130 C CB 0.818 28.575 27.740 0.028 0.000 2.001 130 C HN 0.690 nan 8.230 nan 0.000 0.471 131 Y N -0.538 119.726 120.300 -0.060 0.000 2.553 131 Y HA 0.701 5.251 4.550 0.000 0.000 0.347 131 Y C -0.749 175.062 175.900 -0.149 0.000 1.019 131 Y CA -1.090 56.849 58.100 -0.269 0.000 1.032 131 Y CB 0.675 38.793 38.460 -0.569 0.000 1.284 131 Y HN 0.744 nan 8.280 nan 0.000 0.466 132 D N 1.232 121.600 120.400 -0.052 0.000 2.336 132 D HA 0.117 4.757 4.640 0.001 0.000 0.249 132 D C 0.375 176.826 176.300 0.251 0.000 1.213 132 D CA 0.313 54.347 54.000 0.058 0.000 0.870 132 D CB 1.496 42.277 40.800 -0.032 0.000 1.076 132 D HN 0.804 nan 8.370 nan 0.000 0.483 133 T N 1.175 115.872 114.554 0.239 0.000 3.086 133 T HA -0.025 4.325 4.350 0.001 0.000 0.250 133 T C 1.450 176.347 174.700 0.327 0.000 1.074 133 T CA 0.700 62.987 62.100 0.312 0.000 0.988 133 T CB -0.078 68.954 68.868 0.273 0.000 0.988 133 T HN 0.385 nan 8.240 nan 0.000 0.530 134 S N 0.625 116.514 115.700 0.314 0.000 2.650 134 S HA 0.253 4.723 4.470 0.001 0.000 0.219 134 S C 0.681 175.509 174.600 0.380 0.000 0.960 134 S CA -0.279 58.125 58.200 0.339 0.000 0.925 134 S CB -0.641 62.691 63.200 0.219 0.000 0.775 134 S HN 0.481 nan 8.310 nan 0.000 0.525 135 L N 2.788 124.204 121.223 0.322 0.000 2.423 135 L HA 0.396 4.736 4.340 0.001 0.000 0.249 135 L C -0.258 176.735 176.870 0.205 0.000 1.276 135 L CA -0.640 54.346 54.840 0.245 0.000 1.199 135 L CB -0.593 41.578 42.059 0.185 0.000 1.407 135 L HN 0.250 nan 8.230 nan 0.000 0.410 136 Y N 0.363 120.691 120.300 0.047 0.000 2.314 136 Y HA 0.228 4.778 4.550 0.001 0.000 0.359 136 Y C 0.675 176.694 175.900 0.199 0.000 1.360 136 Y CA -0.407 57.692 58.100 -0.001 0.000 1.697 136 Y CB 0.405 38.809 38.460 -0.094 0.000 1.630 136 Y HN 0.103 nan 8.280 nan 0.000 0.583 137 F N 1.859 121.889 119.950 0.133 0.000 2.679 137 F HA 0.080 4.607 4.527 0.001 0.000 0.351 137 F C 0.653 176.517 175.800 0.107 0.000 1.279 137 F CA -0.691 57.355 58.000 0.077 0.000 1.227 137 F CB -0.918 38.096 39.000 0.023 0.000 1.623 137 F HN 0.373 nan 8.300 nan 0.000 0.666 138 D N 0.675 121.251 120.400 0.293 0.000 2.342 138 D HA -0.037 4.604 4.640 0.001 0.000 0.221 138 D C 1.228 177.686 176.300 0.263 0.000 1.101 138 D CA 0.451 54.591 54.000 0.234 0.000 0.837 138 D CB 0.313 41.228 40.800 0.192 0.000 0.938 138 D HN 0.478 nan 8.370 nan 0.000 0.508 139 D N -0.151 120.368 120.400 0.197 0.000 2.469 139 D HA -0.020 4.620 4.640 0.001 0.000 0.213 139 D C 1.797 178.100 176.300 0.006 0.000 1.135 139 D CA -0.180 53.861 54.000 0.068 0.000 0.834 139 D CB -0.176 40.621 40.800 -0.005 0.000 1.009 139 D HN 0.159 nan 8.370 nan 0.000 0.507 140 L N 1.376 122.674 121.223 0.126 0.000 2.450 140 L HA -0.123 4.217 4.340 0.001 0.000 0.224 140 L C 2.347 179.278 176.870 0.102 0.000 1.149 140 L CA 0.940 55.830 54.840 0.084 0.000 0.816 140 L CB -0.796 41.327 42.059 0.106 0.000 0.932 140 L HN 0.264 nan 8.230 nan 0.000 0.449 141 H N -0.682 118.405 119.070 0.029 0.000 2.551 141 H HA 0.179 4.736 4.556 0.001 0.000 0.266 141 H C 0.606 175.946 175.328 0.020 0.000 0.977 141 H CA -0.190 55.874 56.048 0.026 0.000 1.163 141 H CB -0.207 29.571 29.762 0.027 0.000 1.381 141 H HN 0.277 nan 8.280 nan 0.000 0.581 142 L N 1.275 122.267 121.223 -0.385 0.000 2.272 142 L HA 0.414 4.754 4.340 0.001 0.000 0.289 142 L C 1.189 177.978 176.870 -0.135 0.000 1.032 142 L CA -0.364 54.286 54.840 -0.315 0.000 0.810 142 L CB 1.777 43.594 42.059 -0.404 0.000 1.205 142 L HN 0.121 nan 8.230 nan 0.000 0.422 143 A N 2.125 124.897 122.820 -0.079 0.000 1.897 143 A HA -0.109 4.211 4.320 0.001 0.000 0.215 143 A C 0.780 178.339 177.584 -0.042 0.000 1.181 143 A CA 0.764 52.776 52.037 -0.042 0.000 0.620 143 A CB -0.217 18.770 19.000 -0.020 0.000 0.821 143 A HN 0.744 nan 8.150 nan 0.000 0.443 144 D N -0.505 119.866 120.400 -0.049 0.000 2.316 144 D HA 0.178 4.819 4.640 0.001 0.000 0.245 144 D C 0.927 177.200 176.300 -0.044 0.000 1.171 144 D CA -0.177 53.801 54.000 -0.038 0.000 0.856 144 D CB 0.764 41.546 40.800 -0.031 0.000 1.090 144 D HN 0.364 nan 8.370 nan 0.000 0.476 145 E N 3.369 123.550 120.200 -0.033 0.000 2.070 145 E HA -0.282 4.069 4.350 0.001 0.000 0.197 145 E C 1.595 178.176 176.600 -0.032 0.000 1.004 145 E CA 1.050 57.431 56.400 -0.031 0.000 0.805 145 E CB 0.227 29.915 29.700 -0.019 0.000 0.744 145 E HN 0.490 nan 8.360 nan 0.000 0.451 146 R N -0.420 120.064 120.500 -0.027 0.000 2.105 146 R HA -0.152 4.188 4.340 0.001 0.000 0.239 146 R C 2.318 178.601 176.300 -0.029 0.000 1.135 146 R CA 1.206 57.291 56.100 -0.025 0.000 0.967 146 R CB -0.224 30.064 30.300 -0.020 0.000 0.861 146 R HN 0.171 nan 8.270 nan 0.000 0.442 147 A N 0.651 123.449 122.820 -0.036 0.000 1.898 147 A HA -0.066 4.255 4.320 0.001 0.000 0.216 147 A C 2.295 179.848 177.584 -0.050 0.000 1.181 147 A CA 1.498 53.511 52.037 -0.041 0.000 0.620 147 A CB -0.563 18.405 19.000 -0.053 0.000 0.819 147 A HN 0.413 nan 8.150 nan 0.000 0.442 148 A N -0.335 122.447 122.820 -0.065 0.000 1.858 148 A HA -0.042 4.278 4.320 0.001 0.000 0.216 148 A C 2.213 179.778 177.584 -0.031 0.000 1.190 148 A CA 1.880 53.880 52.037 -0.061 0.000 0.617 148 A CB -1.120 17.838 19.000 -0.070 0.000 0.827 148 A HN 0.428 nan 8.150 nan 0.000 0.443 149 V N -0.083 119.813 119.914 -0.030 0.000 2.324 149 V HA -0.303 3.817 4.120 0.001 0.000 0.250 149 V C 3.003 179.081 176.094 -0.025 0.000 1.060 149 V CA 2.167 64.451 62.300 -0.026 0.000 1.042 149 V CB -1.258 30.550 31.823 -0.026 0.000 0.650 149 V HN 0.634 nan 8.190 nan 0.000 0.450 150 A N -0.795 122.012 122.820 -0.023 0.000 1.968 150 A HA 0.034 4.354 4.320 0.001 0.000 0.217 150 A C 1.337 178.917 177.584 -0.008 0.000 1.169 150 A CA 0.747 52.773 52.037 -0.020 0.000 0.638 150 A CB -0.295 18.695 19.000 -0.017 0.000 0.812 150 A HN 0.416 nan 8.150 nan 0.000 0.446 154 E N 2.038 122.222 120.200 -0.027 0.000 2.085 154 E HA -0.214 4.136 4.350 0.001 0.000 0.194 154 E C 1.238 177.849 176.600 0.018 0.000 0.994 154 E CA 1.651 58.048 56.400 -0.005 0.000 0.801 154 E CB 0.230 29.937 29.700 0.012 0.000 0.743 154 E HN 0.362 nan 8.360 nan 0.000 0.453 155 E N 0.478 120.697 120.200 0.033 0.000 2.077 155 E HA -0.074 4.276 4.350 0.001 0.000 0.193 155 E C 1.146 177.798 176.600 0.087 0.000 0.989 155 E CA 0.613 57.055 56.400 0.071 0.000 0.800 155 E CB -0.157 29.598 29.700 0.091 0.000 0.746 155 E HN 0.225 nan 8.360 nan 0.000 0.452 159 G N 0.568 109.519 108.800 0.252 0.000 2.402 159 G HA2 -0.295 3.666 3.960 0.001 0.000 0.216 159 G HA3 -0.295 3.666 3.960 0.001 0.000 0.216 159 G C 1.042 176.092 174.900 0.249 0.000 1.162 159 G CA 1.188 46.452 45.100 0.272 0.000 0.777 159 G HN 0.280 nan 8.290 nan 0.000 0.539 160 Y N 1.988 122.446 120.300 0.263 0.000 2.207 160 Y HA -0.060 4.490 4.550 0.000 0.000 0.287 160 Y C 2.875 178.820 175.900 0.075 0.000 1.156 160 Y CA 1.390 59.606 58.100 0.194 0.000 1.182 160 Y CB -0.192 38.380 38.460 0.186 0.000 0.979 160 Y HN 0.244 nan 8.280 nan 0.000 0.521 161 A N -0.352 122.620 122.820 0.253 0.000 2.119 161 A HA -0.089 4.231 4.320 0.001 0.000 0.217 161 A C 1.852 179.461 177.584 0.041 0.000 1.153 161 A CA 1.251 53.376 52.037 0.147 0.000 0.692 161 A CB -0.367 18.712 19.000 0.132 0.000 0.799 161 A HN 0.475 nan 8.150 nan 0.000 0.458 162 K N -1.259 119.153 120.400 0.019 0.000 2.437 162 K HA 0.307 4.627 4.320 0.001 0.000 0.205 162 K C 0.836 177.369 176.600 -0.113 0.000 1.026 162 K CA 0.392 56.662 56.287 -0.029 0.000 1.153 162 K CB 0.196 32.699 32.500 0.006 0.000 0.863 162 K HN 0.544 nan 8.250 nan 0.000 0.502 163 G N 0.997 109.695 108.800 -0.170 0.000 2.176 163 G HA2 -0.214 3.747 3.960 0.001 0.000 0.232 163 G HA3 -0.214 3.747 3.960 0.001 0.000 0.232 163 G C -0.118 174.596 174.900 -0.310 0.000 0.986 163 G CA -0.376 44.576 45.100 -0.247 0.000 0.643 163 G HN 0.204 nan 8.290 nan 0.000 0.522 164 Q N -0.154 119.466 119.800 -0.299 0.000 2.314 164 Q HA 0.502 4.843 4.340 0.001 0.000 0.258 164 Q C 1.051 176.764 176.000 -0.478 0.000 0.954 164 Q CA -0.024 55.539 55.803 -0.400 0.000 0.890 164 Q CB 1.039 29.528 28.738 -0.414 0.000 1.210 164 Q HN 0.376 nan 8.270 nan 0.000 0.410 165 R N 0.850 120.980 120.500 -0.616 0.000 2.521 165 R HA 0.174 4.514 4.340 0.001 0.000 0.289 165 R C -0.110 175.751 176.300 -0.731 0.000 0.936 165 R CA 0.151 55.920 56.100 -0.552 0.000 1.089 165 R CB 0.901 30.820 30.300 -0.636 0.000 1.348 165 R HN 0.574 nan 8.270 nan 0.000 0.536 166 H N -0.448 118.285 119.070 -0.562 0.000 2.637 166 H HA 0.468 5.025 4.556 0.000 0.000 0.363 166 H C -0.865 174.009 175.328 -0.757 0.000 1.131 166 H CA -0.593 55.191 56.048 -0.439 0.000 1.183 166 H CB 1.558 31.087 29.762 -0.389 0.000 1.637 166 H HN -0.210 nan 8.280 nan 0.000 0.531 167 F N 0.783 120.703 119.950 -0.051 0.000 2.561 167 F HA 0.296 4.824 4.527 0.000 0.000 0.313 167 F C 0.174 175.878 175.800 -0.159 0.000 1.126 167 F CA -0.780 57.199 58.000 -0.034 0.000 0.918 167 F CB 2.349 41.350 39.000 0.001 0.000 1.199 167 F HN 0.181 nan 8.300 nan 0.000 0.444 168 K N 4.562 124.982 120.400 0.033 0.000 2.274 168 K HA 0.672 4.993 4.320 0.001 0.000 0.262 168 K C -1.339 175.275 176.600 0.024 0.000 0.961 168 K CA -0.376 55.844 56.287 -0.111 0.000 0.833 168 K CB 1.095 33.448 32.500 -0.246 0.000 1.102 168 K HN 0.710 nan 8.250 nan 0.000 0.436 169 I N 4.822 125.390 120.570 -0.004 0.000 2.362 169 I HA 0.215 4.386 4.170 0.001 0.000 0.289 169 I C 0.024 176.134 176.117 -0.012 0.000 0.994 169 I CA -1.045 60.270 61.300 0.026 0.000 1.158 169 I CB 1.568 39.594 38.000 0.045 0.000 1.315 169 I HN 0.304 nan 8.210 nan 0.000 0.451 170 K N 5.998 126.361 120.400 -0.062 0.000 2.412 170 K HA 0.289 4.610 4.320 0.001 0.000 0.281 170 K C -0.167 176.565 176.600 0.220 0.000 1.027 170 K CA 0.000 56.229 56.287 -0.096 0.000 0.989 170 K CB 1.164 33.402 32.500 -0.436 0.000 0.935 170 K HN 0.537 nan 8.250 nan 0.000 0.475 171 V N -1.905 118.113 119.914 0.172 0.000 3.145 171 V HA 0.884 5.004 4.120 0.001 0.000 0.311 171 V C 0.691 176.870 176.094 0.141 0.000 1.238 171 V CA -0.208 62.208 62.300 0.193 0.000 1.066 171 V CB 1.429 33.322 31.823 0.117 0.000 1.144 171 V HN 0.840 nan 8.190 nan 0.000 0.465 172 G N 0.289 109.073 108.800 -0.027 0.000 2.131 172 G HA2 -0.191 3.769 3.960 0.001 0.000 0.201 172 G HA3 -0.191 3.769 3.960 0.001 0.000 0.201 172 G C 0.613 175.605 174.900 0.153 0.000 1.000 172 G CA 0.493 45.549 45.100 -0.073 0.000 0.680 172 G HN 0.894 nan 8.290 nan 0.000 0.514 173 R N 0.013 120.450 120.500 -0.106 0.000 2.127 173 R HA -0.030 4.310 4.340 0.001 0.000 0.238 173 R C 2.758 179.030 176.300 -0.047 0.000 1.134 173 R CA 1.659 57.560 56.100 -0.332 0.000 0.975 173 R CB -0.247 29.712 30.300 -0.568 0.000 0.865 173 R HN 0.459 nan 8.270 nan 0.000 0.447 174 G N -0.769 108.024 108.800 -0.012 0.000 2.813 174 G HA2 -0.073 3.888 3.960 0.001 0.000 0.209 174 G HA3 -0.073 3.888 3.960 0.001 0.000 0.209 174 G C 1.280 176.162 174.900 -0.030 0.000 1.150 174 G CA 0.453 45.534 45.100 -0.030 0.000 0.785 174 G HN 0.417 nan 8.290 nan 0.000 0.535 175 G N 0.342 109.152 108.800 0.018 0.000 2.404 175 G HA2 -0.067 3.893 3.960 0.001 0.000 0.215 175 G HA3 -0.067 3.893 3.960 0.001 0.000 0.215 175 G C 1.631 176.500 174.900 -0.050 0.000 1.174 175 G CA 1.095 46.193 45.100 -0.003 0.000 0.780 175 G HN 0.482 nan 8.290 nan 0.000 0.537 176 R N -2.115 118.336 120.500 -0.082 0.000 2.716 176 R HA 0.156 4.496 4.340 0.001 0.000 0.186 176 R C 0.450 176.619 176.300 -0.219 0.000 0.830 176 R CA -0.262 55.708 56.100 -0.215 0.000 1.059 176 R CB 0.150 30.212 30.300 -0.398 0.000 1.531 176 R HN 0.300 nan 8.270 nan 0.000 0.633 180 L N 0.557 121.709 121.223 -0.119 0.000 1.989 180 L HA -0.043 4.297 4.340 0.001 0.000 0.211 180 L C 1.581 178.263 176.870 -0.314 0.000 1.071 180 L CA 1.991 56.646 54.840 -0.308 0.000 0.749 180 L CB -0.702 41.011 42.059 -0.577 0.000 0.890 180 L HN 0.653 nan 8.230 nan 0.000 0.431 181 W N -0.226 121.078 121.300 0.007 0.000 2.409 181 W HA -0.088 4.573 4.660 0.000 0.000 0.299 181 W C 2.463 178.980 176.519 -0.004 0.000 1.203 181 W CA 0.831 58.175 57.345 -0.002 0.000 1.298 181 W CB -0.291 29.165 29.460 -0.006 0.000 1.127 181 W HN 0.118 nan 8.180 nan 0.000 0.528 182 E N 0.027 120.340 120.200 0.188 0.000 2.072 182 E HA -0.112 4.238 4.350 0.001 0.000 0.191 182 E C 2.490 179.115 176.600 0.041 0.000 0.985 182 E CA 1.550 58.009 56.400 0.098 0.000 0.801 182 E CB -0.976 28.766 29.700 0.070 0.000 0.750 182 E HN 0.268 nan 8.360 nan 0.000 0.452 183 G N 0.031 108.837 108.800 0.010 0.000 2.422 183 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 183 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 183 G C 1.619 176.511 174.900 -0.013 0.000 1.146 183 G CA 1.372 46.450 45.100 -0.036 0.000 0.769 183 G HN 0.238 nan 8.290 nan 0.000 0.547 184 T N 0.180 114.748 114.554 0.024 0.000 2.857 184 T HA -0.012 4.339 4.350 0.001 0.000 0.266 184 T C 2.197 176.936 174.700 0.065 0.000 1.048 184 T CA 1.279 63.414 62.100 0.058 0.000 1.139 184 T CB -0.073 68.805 68.868 0.017 0.000 0.874 184 T HN 0.325 nan 8.240 nan 0.000 0.455 185 K N 0.913 121.361 120.400 0.079 0.000 2.063 185 K HA -0.155 4.165 4.320 0.001 0.000 0.208 185 K C 2.520 179.138 176.600 0.031 0.000 1.048 185 K CA 1.276 57.602 56.287 0.064 0.000 0.928 185 K CB -0.027 32.516 32.500 0.072 0.000 0.713 185 K HN 0.033 nan 8.250 nan 0.000 0.442 186 R N 1.261 121.766 120.500 0.008 0.000 2.081 186 R HA -0.123 4.217 4.340 0.001 0.000 0.235 186 R C 1.613 177.897 176.300 -0.026 0.000 1.131 186 R CA 2.126 58.211 56.100 -0.025 0.000 0.960 186 R CB -0.451 29.812 30.300 -0.062 0.000 0.856 186 R HN 0.245 nan 8.270 nan 0.000 0.436 187 D N 0.260 120.651 120.400 -0.015 0.000 2.106 187 D HA -0.197 4.444 4.640 0.001 0.000 0.191 187 D C 1.929 178.256 176.300 0.046 0.000 0.997 187 D CA 1.961 55.975 54.000 0.024 0.000 0.834 187 D CB -0.240 40.628 40.800 0.113 0.000 0.956 187 D HN 0.329 nan 8.370 nan 0.000 0.448 188 I N 1.032 121.633 120.570 0.051 0.000 2.226 188 I HA -0.245 3.925 4.170 0.001 0.000 0.245 188 I C 2.497 178.631 176.117 0.029 0.000 1.100 188 I CA 1.029 62.358 61.300 0.048 0.000 1.374 188 I CB -0.206 37.823 38.000 0.048 0.000 1.057 188 I HN -0.075 nan 8.210 nan 0.000 0.413 189 A N 1.105 123.935 122.820 0.017 0.000 1.902 189 A HA -0.175 4.145 4.320 0.001 0.000 0.217 189 A C 2.230 179.812 177.584 -0.003 0.000 1.181 189 A CA 1.457 53.496 52.037 0.004 0.000 0.623 189 A CB -0.578 18.420 19.000 -0.002 0.000 0.818 189 A HN 0.291 nan 8.150 nan 0.000 0.443 190 I N -0.050 120.518 120.570 -0.003 0.000 2.202 190 I HA -0.161 4.009 4.170 0.001 0.000 0.242 190 I C 2.551 178.666 176.117 -0.003 0.000 1.091 190 I CA 1.077 62.374 61.300 -0.005 0.000 1.368 190 I CB -1.448 36.552 38.000 0.000 0.000 1.058 190 I HN 0.139 nan 8.210 nan 0.000 0.410 191 V N 0.984 120.907 119.914 0.014 0.000 2.295 191 V HA -0.256 3.865 4.120 0.001 0.000 0.246 191 V C 2.693 178.788 176.094 0.001 0.000 1.049 191 V CA 1.671 63.980 62.300 0.016 0.000 1.024 191 V CB -0.769 31.078 31.823 0.042 0.000 0.648 191 V HN 0.349 nan 8.190 nan 0.000 0.447 192 R N 0.142 120.646 120.500 0.005 0.000 2.091 192 R HA -0.133 4.207 4.340 0.001 0.000 0.238 192 R C 2.483 178.770 176.300 -0.022 0.000 1.136 192 R CA 1.583 57.682 56.100 -0.002 0.000 0.959 192 R CB -0.878 29.425 30.300 0.004 0.000 0.856 192 R HN 0.610 nan 8.270 nan 0.000 0.437 193 G N 1.018 109.800 108.800 -0.029 0.000 2.421 193 G HA2 -0.231 3.730 3.960 0.001 0.000 0.216 193 G HA3 -0.231 3.730 3.960 0.001 0.000 0.216 193 G C 1.439 176.291 174.900 -0.079 0.000 1.171 193 G CA 0.625 45.697 45.100 -0.047 0.000 0.775 193 G HN 0.167 nan 8.290 nan 0.000 0.543 194 I N 1.665 122.180 120.570 -0.091 0.000 2.315 194 I HA -0.189 3.982 4.170 0.001 0.000 0.248 194 I C 3.181 179.202 176.117 -0.159 0.000 1.117 194 I CA 1.432 62.632 61.300 -0.166 0.000 1.404 194 I CB -0.158 37.740 38.000 -0.171 0.000 1.071 194 I HN 0.353 nan 8.210 nan 0.000 0.419 195 S N 0.480 116.134 115.700 -0.078 0.000 2.383 195 S HA -0.240 4.231 4.470 0.001 0.000 0.229 195 S C 1.815 176.387 174.600 -0.047 0.000 1.030 195 S CA 1.415 59.592 58.200 -0.039 0.000 1.002 195 S CB -0.487 62.711 63.200 -0.003 0.000 0.829 195 S HN 0.500 nan 8.310 nan 0.000 0.467 196 E N 0.371 120.536 120.200 -0.059 0.000 2.106 196 E HA -0.048 4.303 4.350 0.001 0.000 0.192 196 E C 2.112 178.656 176.600 -0.094 0.000 0.984 196 E CA 1.173 57.536 56.400 -0.061 0.000 0.806 196 E CB -0.223 29.445 29.700 -0.054 0.000 0.750 196 E HN 0.431 nan 8.360 nan 0.000 0.458 197 V N 1.003 120.834 119.914 -0.139 0.000 2.379 197 V HA -0.198 3.922 4.120 0.001 0.000 0.245 197 V C 2.213 178.178 176.094 -0.215 0.000 1.044 197 V CA 1.748 63.928 62.300 -0.201 0.000 1.036 197 V CB -0.374 31.301 31.823 -0.248 0.000 0.664 197 V HN 0.298 nan 8.190 nan 0.000 0.453 198 A N -0.969 121.756 122.820 -0.159 0.000 2.015 198 A HA 0.371 4.692 4.320 0.001 0.000 0.219 198 A C 1.421 179.051 177.584 0.077 0.000 1.163 198 A CA 1.359 53.402 52.037 0.010 0.000 0.646 198 A CB -0.680 18.373 19.000 0.089 0.000 0.806 198 A HN 1.263 nan 8.150 nan 0.000 0.448 199 G N -1.737 107.071 108.800 0.014 0.000 2.707 199 G HA2 -0.082 3.878 3.960 0.001 0.000 0.686 199 G HA3 -0.082 3.878 3.960 0.001 0.000 0.686 199 G C -1.228 173.706 174.900 0.056 0.000 1.315 199 G CA -0.220 44.900 45.100 0.033 0.000 0.832 199 G HN 0.179 nan 8.290 nan 0.000 0.573 200 P HA -0.015 nan 4.420 nan 0.000 0.218 200 P C 1.875 179.223 177.300 0.080 0.000 1.149 200 P CA 2.347 65.481 63.100 0.057 0.000 0.817 200 P CB -0.101 31.626 31.700 0.045 0.000 0.785 201 A N 0.251 123.124 122.820 0.089 0.000 2.119 201 A HA 0.189 4.510 4.320 0.001 0.000 0.217 201 A C 1.607 179.281 177.584 0.151 0.000 1.153 201 A CA 0.717 52.820 52.037 0.109 0.000 0.692 201 A CB -1.310 17.747 19.000 0.094 0.000 0.799 201 A HN 0.308 nan 8.150 nan 0.000 0.458 202 G N 0.564 109.452 108.800 0.145 0.000 2.354 202 G HA2 0.404 4.365 3.960 0.001 0.000 0.266 202 G HA3 0.404 4.365 3.960 0.001 0.000 0.266 202 G C -0.227 174.817 174.900 0.241 0.000 1.242 202 G CA -0.455 44.757 45.100 0.185 0.000 0.923 202 G HN 0.429 nan 8.290 nan 0.000 0.476 203 K N 1.761 122.396 120.400 0.392 0.000 2.298 203 K HA 0.302 4.622 4.320 0.001 0.000 0.280 203 K C 0.099 176.731 176.600 0.053 0.000 1.032 203 K CA -0.345 56.019 56.287 0.129 0.000 0.958 203 K CB 1.070 33.461 32.500 -0.181 0.000 0.978 203 K HN 0.246 nan 8.250 nan 0.000 0.472 207 D N 4.414 124.818 120.400 0.007 0.000 2.549 207 D HA 0.704 5.344 4.640 0.001 0.000 0.251 207 D C 0.292 176.527 176.300 -0.108 0.000 1.153 207 D CA -0.187 53.799 54.000 -0.023 0.000 0.861 207 D CB 2.445 43.224 40.800 -0.036 0.000 1.207 207 D HN 0.772 nan 8.370 nan 0.000 0.543 208 A N 3.646 126.375 122.820 -0.153 0.000 2.238 208 A HA 0.116 4.436 4.320 0.001 0.000 0.210 208 A C 0.849 178.301 177.584 -0.221 0.000 1.179 208 A CA 0.031 51.880 52.037 -0.313 0.000 0.827 208 A CB -0.627 18.027 19.000 -0.577 0.000 0.856 208 A HN 0.784 nan 8.150 nan 0.000 0.488 209 N N 0.607 119.221 118.700 -0.144 0.000 2.708 209 N HA -0.234 4.507 4.740 0.001 0.000 0.251 209 N C -0.109 175.368 175.510 -0.057 0.000 1.017 209 N CA 0.740 53.734 53.050 -0.092 0.000 0.742 209 N CB -1.026 37.395 38.487 -0.110 0.000 0.943 209 N HN 0.542 nan 8.380 nan 0.000 0.539 210 N N -3.783 114.887 118.700 -0.051 0.000 2.878 210 N HA -0.244 4.496 4.740 0.001 0.000 0.247 210 N C 0.816 176.343 175.510 0.028 0.000 1.021 210 N CA 1.113 54.175 53.050 0.021 0.000 0.873 210 N CB -1.417 37.113 38.487 0.071 0.000 1.128 210 N HN 0.657 nan 8.380 nan 0.000 0.571 211 A N -1.287 121.495 122.820 -0.064 0.000 2.206 211 A HA 0.089 4.410 4.320 0.001 0.000 0.211 211 A C 0.553 178.188 177.584 0.085 0.000 1.158 211 A CA 0.768 52.782 52.037 -0.039 0.000 0.761 211 A CB 0.014 18.962 19.000 -0.086 0.000 0.801 211 A HN 0.275 nan 8.150 nan 0.000 0.473 212 Y N 0.155 120.504 120.300 0.081 0.000 2.565 212 Y HA 0.463 5.013 4.550 0.001 0.000 0.325 212 Y C 0.597 176.571 175.900 0.123 0.000 1.221 212 Y CA -1.957 56.192 58.100 0.083 0.000 1.316 212 Y CB 0.519 39.048 38.460 0.114 0.000 1.404 212 Y HN 0.464 nan 8.280 nan 0.000 0.527 213 N N -0.877 117.958 118.700 0.225 0.000 2.890 213 N HA 0.222 4.962 4.740 0.001 0.000 0.317 213 N C 0.243 175.747 175.510 -0.010 0.000 1.355 213 N CA -0.663 52.407 53.050 0.033 0.000 0.803 213 N CB 0.114 38.545 38.487 -0.094 0.000 1.465 213 N HN 0.447 nan 8.380 nan 0.000 0.591 214 L N 0.037 121.064 121.223 -0.327 0.000 2.017 214 L HA 0.033 4.373 4.340 0.001 0.000 0.208 214 L C 1.329 178.083 176.870 -0.192 0.000 1.073 214 L CA 1.895 56.574 54.840 -0.267 0.000 0.745 214 L CB -1.210 40.598 42.059 -0.418 0.000 0.894 214 L HN 0.564 nan 8.230 nan 0.000 0.432 215 N N -0.527 118.056 118.700 -0.196 0.000 2.188 215 N HA -0.129 4.612 4.740 0.001 0.000 0.184 215 N C 1.954 177.358 175.510 -0.177 0.000 1.018 215 N CA 1.376 54.315 53.050 -0.185 0.000 0.858 215 N CB -0.314 38.103 38.487 -0.116 0.000 0.989 215 N HN 0.362 nan 8.380 nan 0.000 0.426 216 L N 0.642 121.757 121.223 -0.181 0.000 2.042 216 L HA -0.182 4.158 4.340 0.001 0.000 0.210 216 L C 2.093 178.696 176.870 -0.444 0.000 1.076 216 L CA 1.195 55.855 54.840 -0.300 0.000 0.749 216 L CB -0.709 41.149 42.059 -0.336 0.000 0.893 216 L HN 0.179 nan 8.230 nan 0.000 0.432 217 T N -0.606 113.762 114.554 -0.310 0.000 2.684 217 T HA -0.232 4.118 4.350 0.001 0.000 0.267 217 T C 1.870 176.436 174.700 -0.223 0.000 1.036 217 T CA 1.389 63.372 62.100 -0.196 0.000 1.148 217 T CB -0.129 68.812 68.868 0.122 0.000 0.863 217 T HN 0.289 nan 8.240 nan 0.000 0.436 218 K N 0.739 120.918 120.400 -0.368 0.000 2.057 218 K HA -0.118 4.203 4.320 0.001 0.000 0.207 218 K C 2.460 178.941 176.600 -0.197 0.000 1.049 218 K CA 1.278 57.176 56.287 -0.649 0.000 0.931 218 K CB -0.129 31.746 32.500 -1.042 0.000 0.714 218 K HN 0.468 nan 8.250 nan 0.000 0.440 219 E N 0.818 120.940 120.200 -0.130 0.000 2.077 219 E HA -0.174 4.177 4.350 0.001 0.000 0.193 219 E C 1.911 178.515 176.600 0.006 0.000 0.989 219 E CA 1.077 57.471 56.400 -0.011 0.000 0.800 219 E CB 0.180 29.883 29.700 0.005 0.000 0.746 219 E HN 0.024 nan 8.360 nan 0.000 0.452 220 V N 1.291 121.159 119.914 -0.077 0.000 2.270 220 V HA -0.269 3.851 4.120 0.001 0.000 0.245 220 V C 2.489 178.624 176.094 0.068 0.000 1.043 220 V CA 1.593 63.875 62.300 -0.031 0.000 1.014 220 V CB -0.477 31.276 31.823 -0.117 0.000 0.645 220 V HN 0.337 nan 8.190 nan 0.000 0.447 221 L N 0.150 121.436 121.223 0.106 0.000 2.012 221 L HA -0.195 4.145 4.340 0.001 0.000 0.210 221 L C 2.766 179.790 176.870 0.257 0.000 1.073 221 L CA 1.684 56.654 54.840 0.216 0.000 0.748 221 L CB -0.902 41.361 42.059 0.339 0.000 0.891 221 L HN 0.371 nan 8.230 nan 0.000 0.431 222 A N 0.118 123.138 122.820 0.334 0.000 1.908 222 A HA -0.206 4.114 4.320 0.001 0.000 0.218 222 A C 2.425 180.091 177.584 0.136 0.000 1.181 222 A CA 1.911 54.105 52.037 0.261 0.000 0.627 222 A CB -0.721 18.460 19.000 0.302 0.000 0.818 222 A HN 0.426 nan 8.150 nan 0.000 0.445 223 A N -1.158 121.728 122.820 0.110 0.000 2.168 223 A HA 0.311 4.632 4.320 0.001 0.000 0.215 223 A C 1.462 179.085 177.584 0.066 0.000 1.152 223 A CA 0.754 52.835 52.037 0.074 0.000 0.716 223 A CB -0.330 18.708 19.000 0.062 0.000 0.794 223 A HN 0.440 nan 8.150 nan 0.000 0.465 224 L N -0.634 120.637 121.223 0.080 0.000 3.017 224 L HA 0.163 4.503 4.340 0.001 0.000 0.255 224 L C 1.595 178.504 176.870 0.065 0.000 1.247 224 L CA -0.185 54.697 54.840 0.070 0.000 1.038 224 L CB 0.248 42.355 42.059 0.080 0.000 1.380 224 L HN 0.163 nan 8.230 nan 0.000 0.548 225 S N 0.885 116.619 115.700 0.057 0.000 2.383 225 S HA -0.180 4.291 4.470 0.001 0.000 0.229 225 S C 1.075 175.692 174.600 0.029 0.000 1.030 225 S CA 2.031 60.254 58.200 0.038 0.000 1.002 225 S CB -0.078 63.135 63.200 0.022 0.000 0.829 225 S HN 0.619 nan 8.310 nan 0.000 0.467 226 D N 0.319 120.736 120.400 0.028 0.000 2.339 226 D HA 0.141 4.782 4.640 0.001 0.000 0.217 226 D C -0.010 176.308 176.300 0.031 0.000 1.050 226 D CA -0.013 54.002 54.000 0.025 0.000 0.856 226 D CB -0.019 40.792 40.800 0.018 0.000 0.922 226 D HN 0.147 nan 8.370 nan 0.000 0.518 227 V N 1.608 121.545 119.914 0.038 0.000 2.546 227 V HA 0.069 4.189 4.120 0.001 0.000 0.284 227 V C 0.676 176.802 176.094 0.053 0.000 1.050 227 V CA -0.813 61.513 62.300 0.042 0.000 0.981 227 V CB 1.195 33.044 31.823 0.043 0.000 0.990 227 V HN 0.040 nan 8.190 nan 0.000 0.474 228 N N 4.555 123.291 118.700 0.061 0.000 3.127 228 N HA 0.078 4.819 4.740 0.001 0.000 0.317 228 N C -0.288 175.276 175.510 0.090 0.000 1.242 228 N CA 0.139 53.237 53.050 0.080 0.000 1.203 228 N CB -0.533 38.008 38.487 0.091 0.000 1.462 228 N HN 0.622 nan 8.380 nan 0.000 0.546 229 L N 2.314 123.585 121.223 0.080 0.000 2.433 229 L HA -0.004 4.337 4.340 0.001 0.000 0.275 229 L C 0.962 177.893 176.870 0.102 0.000 1.128 229 L CA -0.080 54.805 54.840 0.075 0.000 0.875 229 L CB 0.343 42.446 42.059 0.072 0.000 1.171 229 L HN 0.461 nan 8.230 nan 0.000 0.463 230 Y N 5.733 125.994 120.300 -0.064 0.000 2.262 230 Y HA -0.023 4.528 4.550 0.000 0.000 0.295 230 Y C 0.315 176.265 175.900 0.083 0.000 1.121 230 Y CA 0.458 58.530 58.100 -0.046 0.000 1.144 230 Y CB 0.472 38.822 38.460 -0.185 0.000 1.043 230 Y HN 0.598 nan 8.280 nan 0.000 0.528 231 W N 0.316 121.586 121.300 -0.050 0.000 3.118 231 W HA 0.532 5.193 4.660 0.001 0.000 0.328 231 W C -2.614 173.861 176.519 -0.073 0.000 1.239 231 W CA -2.421 54.843 57.345 -0.135 0.000 1.176 231 W CB 0.272 29.638 29.460 -0.158 0.000 1.433 231 W HN -0.103 nan 8.180 nan 0.000 0.562 232 L N 2.786 124.200 121.223 0.319 0.000 2.305 232 L HA 0.565 4.905 4.340 0.001 0.000 0.284 232 L C -0.516 176.416 176.870 0.103 0.000 1.013 232 L CA -0.576 54.384 54.840 0.200 0.000 0.819 232 L CB 1.386 43.505 42.059 0.100 0.000 1.227 232 L HN 0.639 nan 8.230 nan 0.000 0.417 233 E N 4.472 124.756 120.200 0.139 0.000 2.158 233 E HA 0.269 4.620 4.350 0.001 0.000 0.271 233 E C -0.712 175.865 176.600 -0.039 0.000 0.911 233 E CA -0.339 56.060 56.400 -0.001 0.000 0.767 233 E CB 0.754 30.532 29.700 0.129 0.000 1.120 233 E HN 0.706 nan 8.360 nan 0.000 0.405 234 E N 2.423 122.574 120.200 -0.081 0.000 2.228 234 E HA -0.317 4.033 4.350 0.001 0.000 0.213 234 E C 0.549 177.073 176.600 -0.127 0.000 1.282 234 E CA 0.286 56.637 56.400 -0.082 0.000 0.707 234 E CB -1.266 28.404 29.700 -0.050 0.000 1.150 234 E HN 0.679 nan 8.360 nan 0.000 0.362 235 A N 0.415 123.106 122.820 -0.214 0.000 1.908 235 A HA 0.018 4.338 4.320 0.001 0.000 0.218 235 A C 0.799 178.328 177.584 -0.092 0.000 1.181 235 A CA 1.918 53.851 52.037 -0.173 0.000 0.627 235 A CB -0.252 18.593 19.000 -0.259 0.000 0.818 235 A HN 0.476 nan 8.150 nan 0.000 0.445 236 F N -5.817 114.170 119.950 0.063 0.000 2.713 236 F HA 0.574 5.102 4.527 0.001 0.000 0.311 236 F C -0.331 175.465 175.800 -0.007 0.000 1.141 236 F CA -1.506 56.504 58.000 0.015 0.000 0.939 236 F CB 0.368 39.350 39.000 -0.029 0.000 1.325 236 F HN 0.082 nan 8.300 nan 0.000 0.453 237 H N 2.365 121.547 119.070 0.188 0.000 3.034 237 H HA 0.127 4.683 4.556 0.001 0.000 0.324 237 H C 0.026 175.424 175.328 0.118 0.000 1.015 237 H CA 0.070 56.185 56.048 0.111 0.000 1.429 237 H CB 0.767 30.584 29.762 0.090 0.000 1.429 237 H HN 0.627 nan 8.280 nan 0.000 0.585 238 E N 4.029 123.947 120.200 -0.470 0.000 2.502 238 E HA -0.053 4.298 4.350 0.001 0.000 0.261 238 E C -0.630 175.901 176.600 -0.115 0.000 0.974 238 E CA 0.289 56.567 56.400 -0.203 0.000 0.936 238 E CB 0.592 30.394 29.700 0.170 0.000 0.926 238 E HN 0.660 nan 8.360 nan 0.000 0.459 239 D N 2.196 122.364 120.400 -0.386 0.000 2.891 239 D HA 0.025 4.665 4.640 0.001 0.000 0.224 239 D C 0.318 176.128 176.300 -0.817 0.000 1.321 239 D CA -0.485 53.180 54.000 -0.558 0.000 0.929 239 D CB 1.487 42.100 40.800 -0.311 0.000 1.551 239 D HN 0.621 nan 8.370 nan 0.000 0.574 240 E N 2.509 121.864 120.200 -1.409 0.000 2.058 240 E HA -0.211 4.139 4.350 0.001 0.000 0.194 240 E C 1.637 177.977 176.600 -0.433 0.000 0.997 240 E CA 1.521 57.275 56.400 -1.076 0.000 0.801 240 E CB 0.204 29.098 29.700 -1.343 0.000 0.746 240 E HN 0.533 nan 8.360 nan 0.000 0.450 241 A N 0.881 123.487 122.820 -0.357 0.000 1.902 241 A HA -0.150 4.170 4.320 0.001 0.000 0.217 241 A C 2.189 179.682 177.584 -0.151 0.000 1.181 241 A CA 1.208 53.126 52.037 -0.199 0.000 0.623 241 A CB -0.601 18.297 19.000 -0.170 0.000 0.818 241 A HN 0.282 nan 8.150 nan 0.000 0.443 242 L N -2.349 118.749 121.223 -0.208 0.000 2.109 242 L HA -0.132 4.208 4.340 0.001 0.000 0.207 242 L C 2.486 179.399 176.870 0.071 0.000 1.086 242 L CA 1.002 55.732 54.840 -0.184 0.000 0.760 242 L CB -0.639 41.127 42.059 -0.489 0.000 0.910 242 L HN 0.357 nan 8.230 nan 0.000 0.437 243 Y N 0.431 120.759 120.300 0.047 0.000 2.373 243 Y HA -0.170 4.380 4.550 0.001 0.000 0.293 243 Y C 2.636 178.547 175.900 0.017 0.000 1.129 243 Y CA 0.651 58.790 58.100 0.064 0.000 1.226 243 Y CB -0.415 38.046 38.460 0.001 0.000 1.000 243 Y HN 0.272 nan 8.280 nan 0.000 0.549 244 E N 0.017 120.290 120.200 0.122 0.000 2.051 244 E HA -0.234 4.117 4.350 0.001 0.000 0.192 244 E C 1.988 178.639 176.600 0.085 0.000 0.991 244 E CA 1.304 57.744 56.400 0.067 0.000 0.799 244 E CB -0.108 29.596 29.700 0.007 0.000 0.748 244 E HN 0.340 nan 8.360 nan 0.000 0.449 245 D N 0.495 120.936 120.400 0.069 0.000 2.092 245 D HA -0.195 4.445 4.640 0.001 0.000 0.193 245 D C 2.192 178.582 176.300 0.150 0.000 0.994 245 D CA 0.888 54.934 54.000 0.077 0.000 0.828 245 D CB -0.209 40.598 40.800 0.011 0.000 0.963 245 D HN 0.213 nan 8.370 nan 0.000 0.450 246 L N 1.173 122.501 121.223 0.174 0.000 2.042 246 L HA -0.154 4.186 4.340 0.001 0.000 0.210 246 L C 2.249 179.283 176.870 0.274 0.000 1.076 246 L CA 1.710 56.690 54.840 0.234 0.000 0.749 246 L CB -0.561 41.678 42.059 0.299 0.000 0.893 246 L HN -0.099 nan 8.230 nan 0.000 0.432 247 K N -0.256 120.258 120.400 0.191 0.000 2.057 247 K HA -0.235 4.086 4.320 0.001 0.000 0.207 247 K C 2.045 178.727 176.600 0.137 0.000 1.049 247 K CA 1.718 58.085 56.287 0.133 0.000 0.931 247 K CB -0.400 32.145 32.500 0.076 0.000 0.714 247 K HN 0.566 nan 8.250 nan 0.000 0.440 248 E N -0.258 120.028 120.200 0.143 0.000 2.058 248 E HA -0.219 4.132 4.350 0.001 0.000 0.194 248 E C 1.968 178.665 176.600 0.161 0.000 0.997 248 E CA 1.248 57.722 56.400 0.124 0.000 0.801 248 E CB -0.213 29.555 29.700 0.112 0.000 0.746 248 E HN 0.389 nan 8.360 nan 0.000 0.450 249 W N 1.265 122.581 121.300 0.027 0.000 2.354 249 W HA -0.173 4.488 4.660 0.001 0.000 0.315 249 W C 1.975 178.509 176.519 0.025 0.000 1.206 249 W CA 1.547 58.908 57.345 0.026 0.000 1.290 249 W CB -0.427 29.054 29.460 0.035 0.000 1.152 249 W HN 0.053 nan 8.180 nan 0.000 0.489 250 L N 0.497 121.880 121.223 0.267 0.000 2.013 250 L HA -0.192 4.148 4.340 0.001 0.000 0.212 250 L C 2.682 179.511 176.870 -0.069 0.000 1.073 250 L CA 1.694 56.562 54.840 0.048 0.000 0.753 250 L CB -1.566 40.599 42.059 0.177 0.000 0.890 250 L HN 0.279 nan 8.230 nan 0.000 0.432 251 G N -1.346 107.448 108.800 -0.010 0.000 2.418 251 G HA2 -0.246 3.714 3.960 0.001 0.000 0.217 251 G HA3 -0.246 3.714 3.960 0.001 0.000 0.217 251 G C 1.492 176.351 174.900 -0.067 0.000 1.158 251 G CA 0.235 45.319 45.100 -0.026 0.000 0.771 251 G HN 0.359 nan 8.290 nan 0.000 0.545 252 Q N -0.237 119.506 119.800 -0.096 0.000 2.224 252 Q HA 0.015 4.355 4.340 0.001 0.000 0.203 252 Q C 2.590 178.481 176.000 -0.181 0.000 0.970 252 Q CA 0.613 56.344 55.803 -0.120 0.000 0.865 252 Q CB 0.007 28.679 28.738 -0.111 0.000 0.922 252 Q HN 0.448 nan 8.270 nan 0.000 0.445 253 R N -0.876 119.458 120.500 -0.277 0.000 2.276 253 R HA 0.062 4.402 4.340 0.001 0.000 0.196 253 R C 1.172 177.365 176.300 -0.179 0.000 0.961 253 R CA 0.537 56.459 56.100 -0.297 0.000 1.024 253 R CB 0.327 30.320 30.300 -0.512 0.000 0.940 253 R HN 0.306 nan 8.270 nan 0.000 0.480 254 G N 1.683 110.405 108.800 -0.131 0.000 2.179 254 G HA2 -0.363 3.598 3.960 0.001 0.000 0.257 254 G HA3 -0.363 3.598 3.960 0.001 0.000 0.257 254 G C -0.067 174.793 174.900 -0.066 0.000 1.010 254 G CA 0.257 45.311 45.100 -0.078 0.000 0.736 254 G HN 0.425 nan 8.290 nan 0.000 0.513 255 Q N 0.130 119.877 119.800 -0.089 0.000 2.337 255 Q HA 0.338 4.679 4.340 0.001 0.000 0.255 255 Q C 0.025 176.018 176.000 -0.013 0.000 0.997 255 Q CA -0.346 55.427 55.803 -0.050 0.000 0.925 255 Q CB -0.028 28.669 28.738 -0.069 0.000 1.212 255 Q HN 0.556 nan 8.270 nan 0.000 0.436 256 N N 3.254 121.954 118.700 -0.001 0.000 2.602 256 N HA 0.223 4.963 4.740 0.001 0.000 0.238 256 N C -1.545 173.961 175.510 -0.006 0.000 1.084 256 N CA -0.292 52.757 53.050 -0.002 0.000 0.952 256 N CB 1.119 39.607 38.487 0.002 0.000 1.244 256 N HN 0.183 nan 8.380 nan 0.000 0.512 257 V N 2.988 122.900 119.914 -0.003 0.000 2.531 257 V HA 0.325 4.445 4.120 0.001 0.000 0.301 257 V C 0.107 176.176 176.094 -0.042 0.000 1.034 257 V CA -0.880 61.414 62.300 -0.010 0.000 0.865 257 V CB 1.716 33.574 31.823 0.057 0.000 0.995 257 V HN 0.471 nan 8.190 nan 0.000 0.424 258 L N 4.844 126.005 121.223 -0.103 0.000 2.436 258 L HA 0.415 4.756 4.340 0.001 0.000 0.265 258 L C -0.323 176.486 176.870 -0.100 0.000 1.168 258 L CA -0.356 54.415 54.840 -0.116 0.000 0.815 258 L CB 0.531 42.488 42.059 -0.170 0.000 1.109 258 L HN 0.375 nan 8.230 nan 0.000 0.462 259 I N 2.143 122.592 120.570 -0.202 0.000 2.321 259 I HA 0.439 4.610 4.170 0.001 0.000 0.291 259 I C 0.299 176.162 176.117 -0.423 0.000 0.998 259 I CA -0.233 60.862 61.300 -0.343 0.000 1.227 259 I CB 1.016 38.681 38.000 -0.557 0.000 1.368 259 I HN 0.590 nan 8.210 nan 0.000 0.466 260 A N 5.827 128.357 122.820 -0.484 0.000 2.355 260 A HA 0.783 5.104 4.320 0.001 0.000 0.317 260 A C -0.699 176.638 177.584 -0.411 0.000 1.094 260 A CA -0.397 51.272 52.037 -0.614 0.000 0.764 260 A CB 1.709 19.954 19.000 -1.258 0.000 1.230 260 A HN 0.684 nan 8.150 nan 0.000 0.448 261 D N -0.254 119.948 120.400 -0.330 0.000 2.665 261 D HA 0.598 5.238 4.640 0.001 0.000 0.287 261 D C 0.453 176.591 176.300 -0.270 0.000 1.266 261 D CA 0.897 54.771 54.000 -0.210 0.000 0.830 261 D CB 2.014 42.773 40.800 -0.067 0.000 1.356 261 D HN 1.295 nan 8.370 nan 0.000 0.437 262 G N 0.642 109.277 108.800 -0.274 0.000 2.485 262 G HA2 -0.136 3.825 3.960 0.001 0.000 0.181 262 G HA3 -0.136 3.825 3.960 0.001 0.000 0.181 262 G C 0.207 174.857 174.900 -0.416 0.000 0.999 262 G CA 0.438 45.217 45.100 -0.535 0.000 0.721 262 G HN 0.630 nan 8.290 nan 0.000 0.486 263 E N 0.743 120.822 120.200 -0.202 0.000 2.392 263 E HA 0.505 4.856 4.350 0.001 0.000 0.256 263 E C 1.240 177.820 176.600 -0.033 0.000 1.145 263 E CA 0.178 56.500 56.400 -0.131 0.000 0.929 263 E CB 0.887 30.441 29.700 -0.245 0.000 0.998 263 E HN 1.669 nan 8.360 nan 0.000 0.442 264 G N 0.764 109.587 108.800 0.039 0.000 2.547 264 G HA2 -0.296 3.664 3.960 0.001 0.000 0.271 264 G HA3 -0.296 3.664 3.960 0.001 0.000 0.271 264 G C -0.350 174.681 174.900 0.218 0.000 1.209 264 G CA 0.058 45.233 45.100 0.126 0.000 0.959 264 G HN 0.478 nan 8.290 nan 0.000 0.563 265 L N 2.173 123.499 121.223 0.172 0.000 2.399 265 L HA 0.622 4.962 4.340 0.001 0.000 0.257 265 L C 1.519 178.506 176.870 0.196 0.000 1.236 265 L CA 0.715 55.666 54.840 0.185 0.000 1.144 265 L CB -0.342 41.784 42.059 0.111 0.000 1.379 265 L HN 1.036 nan 8.230 nan 0.000 0.414 266 A N 1.068 123.994 122.820 0.176 0.000 2.425 266 A HA 0.358 4.678 4.320 0.001 0.000 0.242 266 A C 0.795 178.441 177.584 0.103 0.000 1.077 266 A CA -0.159 51.955 52.037 0.128 0.000 0.781 266 A CB 0.254 19.296 19.000 0.069 0.000 1.020 266 A HN 0.499 nan 8.150 nan 0.000 0.494 267 S N 1.436 117.156 115.700 0.034 0.000 2.552 267 S HA 0.179 4.650 4.470 0.001 0.000 0.289 267 S C -1.392 173.082 174.600 -0.210 0.000 1.304 267 S CA -0.730 57.409 58.200 -0.102 0.000 1.063 267 S CB 0.189 63.230 63.200 -0.265 0.000 0.848 267 S HN 0.457 nan 8.310 nan 0.000 0.499 268 P HA -0.035 nan 4.420 nan 0.000 0.222 268 P C 0.022 177.216 177.300 -0.176 0.000 1.147 268 P CA 1.291 64.272 63.100 -0.198 0.000 0.790 268 P CB -0.052 31.511 31.700 -0.227 0.000 0.780 269 H N -2.241 116.515 119.070 -0.524 0.000 2.520 269 H HA 0.157 4.714 4.556 0.001 0.000 0.284 269 H C 1.519 176.190 175.328 -1.095 0.000 1.037 269 H CA -0.661 54.923 56.048 -0.773 0.000 1.168 269 H CB 0.119 29.379 29.762 -0.837 0.000 1.497 269 H HN -0.009 nan 8.280 nan 0.000 0.547 270 L N 1.171 122.022 121.223 -0.620 0.000 2.046 270 L HA -0.180 4.160 4.340 0.001 0.000 0.208 270 L C 1.781 178.590 176.870 -0.102 0.000 1.077 270 L CA 1.446 56.082 54.840 -0.340 0.000 0.747 270 L CB -0.400 41.599 42.059 -0.100 0.000 0.896 270 L HN 0.289 nan 8.230 nan 0.000 0.432 271 I N -0.408 120.109 120.570 -0.088 0.000 2.179 271 I HA -0.297 3.873 4.170 0.001 0.000 0.242 271 I C 2.494 178.560 176.117 -0.085 0.000 1.088 271 I CA 1.642 62.906 61.300 -0.060 0.000 1.357 271 I CB -1.351 36.594 38.000 -0.093 0.000 1.051 271 I HN 0.488 nan 8.210 nan 0.000 0.409 272 E N 0.499 120.622 120.200 -0.129 0.000 2.070 272 E HA -0.251 4.099 4.350 0.001 0.000 0.197 272 E C 2.278 178.937 176.600 0.098 0.000 1.004 272 E CA 1.696 58.049 56.400 -0.079 0.000 0.805 272 E CB -0.092 29.518 29.700 -0.149 0.000 0.744 272 E HN 0.418 nan 8.360 nan 0.000 0.451 273 W N 0.252 121.564 121.300 0.020 0.000 2.338 273 W HA -0.070 4.591 4.660 0.000 0.000 0.304 273 W C 2.480 179.006 176.519 0.010 0.000 1.212 273 W CA 0.972 58.340 57.345 0.037 0.000 1.264 273 W CB -1.309 28.201 29.460 0.083 0.000 1.142 273 W HN 0.233 nan 8.180 nan 0.000 0.512 274 A N 0.528 123.476 122.820 0.213 0.000 1.933 274 A HA -0.220 4.100 4.320 0.001 0.000 0.218 274 A C 2.030 179.637 177.584 0.039 0.000 1.175 274 A CA 3.032 55.122 52.037 0.088 0.000 0.628 274 A CB -1.392 17.631 19.000 0.039 0.000 0.814 274 A HN 0.334 nan 8.150 nan 0.000 0.444 275 T N -2.423 112.121 114.554 -0.017 0.000 2.962 275 T HA -0.089 4.261 4.350 0.001 0.000 0.270 275 T C 1.631 176.362 174.700 0.051 0.000 1.088 275 T CA 1.304 63.369 62.100 -0.059 0.000 1.127 275 T CB -0.317 68.388 68.868 -0.271 0.000 0.883 275 T HN 0.517 nan 8.240 nan 0.000 0.493 276 R N 0.635 121.181 120.500 0.078 0.000 2.317 276 R HA 0.361 4.702 4.340 0.001 0.000 0.208 276 R C 1.638 177.982 176.300 0.074 0.000 0.914 276 R CA 0.362 56.514 56.100 0.087 0.000 1.060 276 R CB 0.085 30.451 30.300 0.110 0.000 1.015 276 R HN 0.578 nan 8.270 nan 0.000 0.498 277 G N 1.107 109.947 108.800 0.066 0.000 2.141 277 G HA2 -0.290 3.670 3.960 0.001 0.000 0.242 277 G HA3 -0.290 3.670 3.960 0.001 0.000 0.242 277 G C 0.773 175.691 174.900 0.030 0.000 0.982 277 G CA 0.106 45.232 45.100 0.044 0.000 0.662 277 G HN 0.243 nan 8.290 nan 0.000 0.527 278 R N -0.841 119.689 120.500 0.051 0.000 2.173 278 R HA 0.480 4.820 4.340 0.001 0.000 0.208 278 R C 0.924 177.181 176.300 -0.073 0.000 1.035 278 R CA 1.116 57.239 56.100 0.039 0.000 1.004 278 R CB 0.471 30.829 30.300 0.095 0.000 0.917 278 R HN 0.444 nan 8.270 nan 0.000 0.462 279 V N 0.498 120.375 119.914 -0.063 0.000 2.789 279 V HA 0.225 4.346 4.120 0.001 0.000 0.311 279 V C -0.358 175.661 176.094 -0.124 0.000 1.073 279 V CA -0.719 61.469 62.300 -0.186 0.000 0.921 279 V CB 2.441 34.198 31.823 -0.109 0.000 1.009 279 V HN 0.053 nan 8.190 nan 0.000 0.426 280 D N 1.464 121.759 120.400 -0.175 0.000 2.431 280 D HA 0.151 4.792 4.640 0.001 0.000 0.227 280 D C 0.090 176.317 176.300 -0.122 0.000 1.030 280 D CA 0.897 54.825 54.000 -0.120 0.000 0.897 280 D CB 1.542 42.268 40.800 -0.123 0.000 1.058 280 D HN 0.300 nan 8.370 nan 0.000 0.500 281 V N 2.890 122.675 119.914 -0.215 0.000 2.483 281 V HA 0.238 4.358 4.120 0.001 0.000 0.297 281 V C -0.522 175.433 176.094 -0.232 0.000 1.027 281 V CA -0.767 61.382 62.300 -0.252 0.000 0.855 281 V CB 2.676 34.194 31.823 -0.509 0.000 0.995 281 V HN 0.003 nan 8.190 nan 0.000 0.424 282 L N 4.998 126.180 121.223 -0.067 0.000 2.289 282 L HA 0.524 4.864 4.340 0.001 0.000 0.285 282 L C 0.524 177.458 176.870 0.105 0.000 1.049 282 L CA 0.292 55.132 54.840 0.001 0.000 0.804 282 L CB 1.332 43.508 42.059 0.195 0.000 1.195 282 L HN 0.774 nan 8.230 nan 0.000 0.428 283 Q N 2.778 122.526 119.800 -0.087 0.000 2.155 283 Q HA 0.215 4.556 4.340 0.001 0.000 0.273 283 Q C -0.989 175.105 176.000 0.156 0.000 0.857 283 Q CA -0.338 55.500 55.803 0.058 0.000 1.116 283 Q CB 0.457 29.166 28.738 -0.049 0.000 1.209 283 Q HN 0.424 nan 8.270 nan 0.000 0.460 284 Y N 1.280 121.808 120.300 0.380 0.000 2.683 284 Y HA -0.073 4.478 4.550 0.001 0.000 0.340 284 Y C 0.866 177.091 175.900 0.542 0.000 1.245 284 Y CA -0.172 58.062 58.100 0.223 0.000 1.485 284 Y CB 0.237 38.562 38.460 -0.225 0.000 1.328 284 Y HN 0.166 nan 8.280 nan 0.000 0.603 285 D N 1.316 122.031 120.400 0.526 0.000 2.372 285 D HA 0.023 4.663 4.640 0.001 0.000 0.243 285 D C 0.772 177.436 176.300 0.607 0.000 1.121 285 D CA -0.199 54.145 54.000 0.574 0.000 0.898 285 D CB 0.713 41.841 40.800 0.547 0.000 1.202 285 D HN 0.490 nan 8.370 nan 0.000 0.428 286 I N 3.583 124.457 120.570 0.507 0.000 2.928 286 I HA -0.059 4.111 4.170 0.001 0.000 0.266 286 I C 1.003 177.443 176.117 0.537 0.000 1.234 286 I CA 0.928 62.524 61.300 0.494 0.000 1.483 286 I CB 0.047 38.229 38.000 0.303 0.000 1.097 286 I HN 0.517 nan 8.210 nan 0.000 0.455 287 I N -1.718 119.124 120.570 0.454 0.000 3.039 287 I HA 0.033 4.203 4.170 0.001 0.000 0.270 287 I C 0.257 176.622 176.117 0.413 0.000 1.150 287 I CA 0.459 62.025 61.300 0.442 0.000 1.448 287 I CB -0.934 37.255 38.000 0.315 0.000 1.197 287 I HN 0.285 nan 8.210 nan 0.000 0.450 288 W N 5.207 126.614 121.300 0.178 0.000 2.587 288 W HA 0.453 5.113 4.660 0.001 0.000 0.324 288 W C -2.229 174.331 176.519 0.068 0.000 1.008 288 W CA -1.674 55.710 57.345 0.065 0.000 1.265 288 W CB 1.450 30.913 29.460 0.006 0.000 1.328 288 W HN -0.236 nan 8.180 nan 0.000 0.432 289 P HA 0.181 nan 4.420 nan 0.000 0.236 289 P C 0.713 177.927 177.300 -0.143 0.000 1.177 289 P CA 1.550 64.230 63.100 -0.701 0.000 0.773 289 P CB 0.645 31.570 31.700 -1.292 0.000 0.878 290 G N 0.062 108.945 108.800 0.138 0.000 2.610 290 G HA2 -0.273 3.687 3.960 0.001 0.000 0.304 290 G HA3 -0.273 3.687 3.960 0.001 0.000 0.304 290 G C -0.040 175.152 174.900 0.488 0.000 1.309 290 G CA -0.251 45.076 45.100 0.377 0.000 0.906 290 G HN 0.113 nan 8.290 nan 0.000 0.521 291 F N 0.636 120.753 119.950 0.278 0.000 2.113 291 F HA 0.044 4.571 4.527 0.001 0.000 0.297 291 F C 3.047 179.015 175.800 0.280 0.000 1.103 291 F CA 2.946 61.123 58.000 0.294 0.000 1.248 291 F CB -0.193 38.844 39.000 0.061 0.000 0.999 291 F HN 0.517 nan 8.300 nan 0.000 0.475 292 T N -1.648 113.144 114.554 0.397 0.000 2.737 292 T HA -0.236 4.114 4.350 0.001 0.000 0.265 292 T C 1.665 176.471 174.700 0.178 0.000 1.038 292 T CA 1.769 64.043 62.100 0.290 0.000 1.144 292 T CB -0.675 68.345 68.868 0.253 0.000 0.866 292 T HN 0.457 nan 8.240 nan 0.000 0.434 293 H N -0.640 118.467 119.070 0.061 0.000 2.319 293 H HA -0.050 4.506 4.556 0.001 0.000 0.297 293 H C 0.842 176.118 175.328 -0.086 0.000 1.097 293 H CA 1.272 57.279 56.048 -0.068 0.000 1.285 293 H CB -0.049 29.604 29.762 -0.181 0.000 1.368 293 H HN 0.410 nan 8.280 nan 0.000 0.495 297 L N 2.018 123.139 121.223 -0.170 0.000 2.056 297 L HA 0.090 4.430 4.340 0.001 0.000 0.207 297 L C 2.076 178.975 176.870 0.049 0.000 1.078 297 L CA 2.778 57.518 54.840 -0.168 0.000 0.749 297 L CB -0.751 41.068 42.059 -0.401 0.000 0.901 297 L HN 0.228 nan 8.230 nan 0.000 0.433 298 G N -1.085 107.847 108.800 0.220 0.000 2.442 298 G HA2 -0.278 3.682 3.960 0.001 0.000 0.219 298 G HA3 -0.278 3.682 3.960 0.001 0.000 0.219 298 G C 1.454 176.448 174.900 0.158 0.000 1.141 298 G CA 0.897 46.166 45.100 0.282 0.000 0.763 298 G HN 0.544 nan 8.290 nan 0.000 0.554 299 E N -0.025 120.240 120.200 0.108 0.000 2.051 299 E HA -0.140 4.211 4.350 0.001 0.000 0.192 299 E C 2.389 179.034 176.600 0.074 0.000 0.991 299 E CA 1.102 57.549 56.400 0.079 0.000 0.799 299 E CB -0.130 29.604 29.700 0.057 0.000 0.748 299 E HN 0.449 nan 8.360 nan 0.000 0.449 300 K N 0.967 121.405 120.400 0.062 0.000 2.026 300 K HA -0.161 4.160 4.320 0.001 0.000 0.208 300 K C 2.212 178.904 176.600 0.154 0.000 1.048 300 K CA 1.017 57.358 56.287 0.090 0.000 0.929 300 K CB -0.072 32.447 32.500 0.032 0.000 0.713 300 K HN 0.077 nan 8.250 nan 0.000 0.439 301 L N 0.906 122.203 121.223 0.125 0.000 2.056 301 L HA -0.200 4.141 4.340 0.001 0.000 0.207 301 L C 2.112 179.068 176.870 0.143 0.000 1.078 301 L CA 1.152 56.078 54.840 0.144 0.000 0.749 301 L CB -0.584 41.568 42.059 0.155 0.000 0.901 301 L HN 0.217 nan 8.230 nan 0.000 0.433 302 D N 0.534 121.002 120.400 0.114 0.000 2.133 302 D HA -0.212 4.428 4.640 0.001 0.000 0.195 302 D C 2.201 178.536 176.300 0.058 0.000 0.997 302 D CA 1.672 55.717 54.000 0.074 0.000 0.840 302 D CB -0.051 40.783 40.800 0.057 0.000 0.947 302 D HN 0.332 nan 8.370 nan 0.000 0.452 303 A N 0.054 122.909 122.820 0.058 0.000 2.019 303 A HA -0.173 4.148 4.320 0.001 0.000 0.219 303 A C 1.699 179.226 177.584 -0.096 0.000 1.164 303 A CA 1.181 53.208 52.037 -0.016 0.000 0.644 303 A CB -0.554 18.429 19.000 -0.029 0.000 0.805 303 A HN 0.362 nan 8.150 nan 0.000 0.449 304 H N -1.353 117.730 119.070 0.022 0.000 2.526 304 H HA 0.227 4.783 4.556 0.001 0.000 0.274 304 H C 1.551 176.892 175.328 0.022 0.000 0.999 304 H CA 0.535 56.596 56.048 0.022 0.000 1.157 304 H CB 0.104 29.881 29.762 0.024 0.000 1.407 304 H HN 0.618 nan 8.280 nan 0.000 0.568 305 G N 1.396 110.254 108.800 0.097 0.000 2.160 305 G HA2 -0.272 3.689 3.960 0.001 0.000 0.251 305 G HA3 -0.272 3.689 3.960 0.001 0.000 0.251 305 G C 0.159 175.102 174.900 0.072 0.000 1.008 305 G CA 0.198 45.338 45.100 0.066 0.000 0.724 305 G HN 0.257 nan 8.290 nan 0.000 0.514 306 L N -0.844 120.435 121.223 0.094 0.000 2.375 306 L HA 0.706 5.046 4.340 0.001 0.000 0.268 306 L C 1.059 177.969 176.870 0.067 0.000 1.058 306 L CA -1.101 53.783 54.840 0.074 0.000 0.803 306 L CB 1.081 43.189 42.059 0.082 0.000 1.212 306 L HN 0.140 nan 8.230 nan 0.000 0.451 307 R N 0.264 120.790 120.500 0.044 0.000 2.604 307 R HA 0.519 4.859 4.340 0.001 0.000 0.287 307 R C -1.031 175.294 176.300 0.042 0.000 0.970 307 R CA -0.542 55.578 56.100 0.033 0.000 0.946 307 R CB 1.741 32.052 30.300 0.018 0.000 1.127 307 R HN 0.483 nan 8.270 nan 0.000 0.473 308 S N 0.945 116.643 115.700 -0.004 0.000 2.498 308 S HA 0.621 5.092 4.470 0.001 0.000 0.317 308 S C -0.951 173.416 174.600 -0.388 0.000 1.090 308 S CA -0.794 57.367 58.200 -0.065 0.000 1.089 308 S CB 1.891 65.072 63.200 -0.032 0.000 0.997 308 S HN 0.700 nan 8.310 nan 0.000 0.470 309 A N 4.653 127.287 122.820 -0.310 0.000 2.702 309 A HA 0.651 4.971 4.320 0.001 0.000 0.305 309 A C -3.113 174.362 177.584 -0.181 0.000 1.213 309 A CA -1.720 50.129 52.037 -0.313 0.000 0.745 309 A CB 0.425 19.414 19.000 -0.018 0.000 1.161 309 A HN 0.452 nan 8.150 nan 0.000 0.445 310 P HA 0.021 nan 4.420 nan 0.000 0.267 310 P C -0.093 177.288 177.300 0.136 0.000 1.205 310 P CA 0.329 63.355 63.100 -0.123 0.000 0.765 310 P CB 0.224 31.672 31.700 -0.419 0.000 0.828 311 H N 3.577 122.770 119.070 0.204 0.000 2.848 311 H HA 0.132 4.688 4.556 0.001 0.000 0.341 311 H C -0.931 174.517 175.328 0.200 0.000 1.060 311 H CA 0.450 56.622 56.048 0.207 0.000 1.444 311 H CB 0.366 30.259 29.762 0.218 0.000 1.446 311 H HN 0.408 nan 8.280 nan 0.000 0.583 312 C N 7.511 126.532 119.300 -0.464 0.000 2.789 312 C HA 0.434 4.894 4.460 0.001 0.000 0.367 312 C C -2.018 172.764 174.990 -0.347 0.000 1.062 312 C CA -0.467 58.366 59.018 -0.309 0.000 1.297 312 C CB -1.159 26.486 27.740 -0.157 0.000 1.794 312 C HN 0.799 nan 8.230 nan 0.000 0.474 313 Y N 3.234 123.277 120.300 -0.429 0.000 2.521 313 Y HA 0.605 5.155 4.550 0.001 0.000 0.332 313 Y C 0.595 176.510 175.900 0.026 0.000 1.121 313 Y CA 0.903 58.912 58.100 -0.152 0.000 1.037 313 Y CB 1.991 40.427 38.460 -0.040 0.000 1.330 313 Y HN 1.136 nan 8.280 nan 0.000 0.452 314 G N 3.299 111.867 108.800 -0.387 0.000 2.195 314 G HA2 -0.271 3.690 3.960 0.001 0.000 0.246 314 G HA3 -0.271 3.690 3.960 0.001 0.000 0.246 314 G C -0.445 174.391 174.900 -0.106 0.000 0.984 314 G CA 0.215 45.227 45.100 -0.147 0.000 0.633 314 G HN 0.758 nan 8.290 nan 0.000 0.525 315 N N -0.055 118.568 118.700 -0.129 0.000 2.594 315 N HA 0.588 5.329 4.740 0.001 0.000 0.280 315 N C 1.104 176.545 175.510 -0.114 0.000 1.156 315 N CA 0.642 53.649 53.050 -0.073 0.000 0.831 315 N CB 1.061 39.555 38.487 0.011 0.000 1.379 315 N HN 0.498 nan 8.380 nan 0.000 0.536 316 A N 2.963 125.713 122.820 -0.116 0.000 1.986 316 A HA -0.207 4.114 4.320 0.001 0.000 0.220 316 A C 1.685 179.246 177.584 -0.038 0.000 1.171 316 A CA 1.242 53.204 52.037 -0.125 0.000 0.640 316 A CB -0.741 18.222 19.000 -0.061 0.000 0.811 316 A HN 0.776 nan 8.150 nan 0.000 0.451 317 Y N 0.638 120.886 120.300 -0.087 0.000 2.224 317 Y HA -0.091 4.459 4.550 0.001 0.000 0.289 317 Y C 2.430 178.218 175.900 -0.188 0.000 1.146 317 Y CA 1.438 59.489 58.100 -0.081 0.000 1.182 317 Y CB -0.547 37.812 38.460 -0.169 0.000 0.983 317 Y HN 0.273 nan 8.280 nan 0.000 0.524 318 G N 0.724 109.441 108.800 -0.138 0.000 2.448 318 G HA2 -0.237 3.724 3.960 0.001 0.000 0.219 318 G HA3 -0.237 3.724 3.960 0.001 0.000 0.219 318 G C 1.567 176.316 174.900 -0.251 0.000 1.127 318 G CA 1.080 46.080 45.100 -0.167 0.000 0.766 318 G HN 0.419 nan 8.290 nan 0.000 0.552 319 I N 0.164 120.475 120.570 -0.431 0.000 2.118 319 I HA -0.234 3.936 4.170 0.001 0.000 0.241 319 I C 2.480 178.237 176.117 -0.599 0.000 1.070 319 I CA 1.547 62.469 61.300 -0.630 0.000 1.327 319 I CB -1.122 36.173 38.000 -1.174 0.000 1.034 319 I HN 0.249 nan 8.210 nan 0.000 0.405 320 Y N 0.876 120.951 120.300 -0.375 0.000 2.337 320 Y HA 0.099 4.649 4.550 0.001 0.000 0.293 320 Y C 2.672 178.526 175.900 -0.077 0.000 1.123 320 Y CA 0.740 58.615 58.100 -0.376 0.000 1.201 320 Y CB -0.976 37.027 38.460 -0.761 0.000 1.011 320 Y HN 0.091 nan 8.280 nan 0.000 0.545 321 A N -0.202 122.480 122.820 -0.230 0.000 1.908 321 A HA -0.203 4.117 4.320 0.001 0.000 0.218 321 A C 2.422 180.242 177.584 0.394 0.000 1.181 321 A CA 2.142 54.156 52.037 -0.038 0.000 0.627 321 A CB -1.059 17.802 19.000 -0.231 0.000 0.818 321 A HN 0.380 nan 8.150 nan 0.000 0.445 322 S N -0.467 115.362 115.700 0.213 0.000 2.382 322 S HA -0.063 4.407 4.470 0.001 0.000 0.228 322 S C 2.070 176.763 174.600 0.154 0.000 1.027 322 S CA 1.084 59.433 58.200 0.248 0.000 0.991 322 S CB -0.670 62.652 63.200 0.203 0.000 0.823 322 S HN 0.793 nan 8.310 nan 0.000 0.469 323 G N 0.860 109.752 108.800 0.152 0.000 2.440 323 G HA2 -0.262 3.698 3.960 0.001 0.000 0.218 323 G HA3 -0.262 3.698 3.960 0.001 0.000 0.218 323 G C 1.077 175.969 174.900 -0.014 0.000 1.154 323 G CA 1.136 46.258 45.100 0.035 0.000 0.767 323 G HN 0.528 nan 8.290 nan 0.000 0.552 324 H N -0.655 118.563 119.070 0.247 0.000 2.387 324 H HA 0.036 4.593 4.556 0.001 0.000 0.299 324 H C 2.291 177.819 175.328 0.334 0.000 1.090 324 H CA 1.121 57.401 56.048 0.387 0.000 1.332 324 H CB -0.174 29.982 29.762 0.655 0.000 1.386 324 H HN 0.290 nan 8.280 nan 0.000 0.516 325 L N 0.733 122.204 121.223 0.412 0.000 2.127 325 L HA -0.198 4.143 4.340 0.001 0.000 0.211 325 L C 2.355 179.135 176.870 -0.150 0.000 1.089 325 L CA 1.701 56.579 54.840 0.064 0.000 0.757 325 L CB -0.729 41.292 42.059 -0.063 0.000 0.899 325 L HN 0.352 nan 8.230 nan 0.000 0.434 326 S N -0.536 114.808 115.700 -0.592 0.000 2.402 326 S HA -0.244 4.226 4.470 0.001 0.000 0.233 326 S C 2.123 176.676 174.600 -0.079 0.000 1.030 326 S CA 1.060 58.816 58.200 -0.741 0.000 1.003 326 S CB -1.040 61.516 63.200 -1.074 0.000 0.813 326 S HN 0.528 nan 8.310 nan 0.000 0.477 327 A N 1.438 124.244 122.820 -0.023 0.000 2.015 327 A HA 0.426 4.746 4.320 0.001 0.000 0.219 327 A C 2.349 180.020 177.584 0.144 0.000 1.163 327 A CA 1.476 53.540 52.037 0.044 0.000 0.646 327 A CB -1.045 17.999 19.000 0.074 0.000 0.806 327 A HN 0.968 nan 8.150 nan 0.000 0.448 328 A N -1.227 121.712 122.820 0.198 0.000 2.195 328 A HA 0.483 4.803 4.320 0.001 0.000 0.210 328 A C 0.393 178.128 177.584 0.253 0.000 1.165 328 A CA 0.429 52.594 52.037 0.214 0.000 0.806 328 A CB 0.175 19.263 19.000 0.147 0.000 0.847 328 A HN 0.329 nan 8.150 nan 0.000 0.482 329 V N 0.183 120.241 119.914 0.241 0.000 2.443 329 V HA 0.285 4.406 4.120 0.001 0.000 0.293 329 V C 1.167 177.206 176.094 -0.092 0.000 1.021 329 V CA -0.707 61.676 62.300 0.139 0.000 0.848 329 V CB 1.315 33.261 31.823 0.204 0.000 0.998 329 V HN 0.563 nan 8.190 nan 0.000 0.424 330 R N 3.246 123.581 120.500 -0.275 0.000 2.073 330 R HA -0.058 4.282 4.340 0.001 0.000 0.234 330 R C 0.676 176.834 176.300 -0.237 0.000 1.134 330 R CA 1.461 57.222 56.100 -0.565 0.000 0.952 330 R CB 0.237 30.366 30.300 -0.285 0.000 0.850 330 R HN 0.701 nan 8.270 nan 0.000 0.433 331 N N 0.550 119.213 118.700 -0.062 0.000 2.758 331 N HA 0.010 4.751 4.740 0.001 0.000 0.293 331 N C -1.063 174.471 175.510 0.040 0.000 1.273 331 N CA -0.028 53.022 53.050 -0.001 0.000 1.022 331 N CB -0.178 38.322 38.487 0.022 0.000 1.334 331 N HN 0.090 nan 8.380 nan 0.000 0.519 332 F N 1.104 120.997 119.950 -0.095 0.000 2.443 332 F HA 0.102 4.629 4.527 0.000 0.000 0.353 332 F C 1.450 177.194 175.800 -0.093 0.000 1.101 332 F CA 0.110 58.058 58.000 -0.087 0.000 1.226 332 F CB 1.100 40.045 39.000 -0.092 0.000 1.140 332 F HN 0.047 nan 8.300 nan 0.000 0.557 333 E N 4.309 124.219 120.200 -0.484 0.000 2.067 333 E HA 0.147 4.498 4.350 0.001 0.000 0.194 333 E C -0.713 175.597 176.600 -0.484 0.000 0.950 333 E CA 0.800 57.035 56.400 -0.275 0.000 0.872 333 E CB 0.149 29.934 29.700 0.141 0.000 0.877 333 E HN 0.446 nan 8.360 nan 0.000 0.470 334 F N -0.420 119.472 119.950 -0.097 0.000 2.619 334 F HA 0.273 4.800 4.527 0.001 0.000 0.308 334 F C -0.343 175.521 175.800 0.105 0.000 1.097 334 F CA -0.953 57.123 58.000 0.127 0.000 0.953 334 F CB 1.614 40.807 39.000 0.322 0.000 1.287 334 F HN -0.326 nan 8.300 nan 0.000 0.446 335 V N 1.706 121.866 119.914 0.410 0.000 2.508 335 V HA 0.080 4.200 4.120 0.001 0.000 0.281 335 V C 0.091 176.104 176.094 -0.136 0.000 1.041 335 V CA -0.351 62.065 62.300 0.194 0.000 1.016 335 V CB 1.123 33.039 31.823 0.154 0.000 0.984 335 V HN 0.718 nan 8.190 nan 0.000 0.478 336 E N 4.688 124.727 120.200 -0.268 0.000 2.052 336 E HA 0.173 4.523 4.350 0.001 0.000 0.283 336 E C -1.339 175.039 176.600 -0.370 0.000 1.071 336 E CA -0.446 55.569 56.400 -0.641 0.000 0.851 336 E CB 0.449 29.983 29.700 -0.277 0.000 1.066 336 E HN 0.636 nan 8.360 nan 0.000 0.396 337 Y N 4.125 124.125 120.300 -0.499 0.000 2.331 337 Y HA 0.303 4.853 4.550 0.001 0.000 0.338 337 Y C -0.868 174.932 175.900 -0.167 0.000 0.976 337 Y CA -0.763 57.160 58.100 -0.296 0.000 1.137 337 Y CB 1.212 39.522 38.460 -0.250 0.000 1.172 337 Y HN 0.479 nan 8.280 nan 0.000 0.478 338 D N 3.917 123.930 120.400 -0.646 0.000 2.362 338 D HA 0.128 4.769 4.640 0.001 0.000 0.247 338 D C -1.508 174.377 176.300 -0.691 0.000 1.050 338 D CA -0.498 53.252 54.000 -0.416 0.000 0.839 338 D CB 1.343 41.940 40.800 -0.338 0.000 1.283 338 D HN 0.543 nan 8.370 nan 0.000 0.477 339 D N 3.390 123.640 120.400 -0.251 0.000 2.374 339 D HA 0.253 4.894 4.640 0.001 0.000 0.240 339 D C -0.548 175.679 176.300 -0.121 0.000 1.229 339 D CA -0.046 53.894 54.000 -0.100 0.000 0.895 339 D CB -0.164 40.721 40.800 0.141 0.000 1.046 339 D HN 0.340 nan 8.370 nan 0.000 0.498 340 I N 2.283 122.756 120.570 -0.162 0.000 2.545 340 I HA 0.225 4.395 4.170 0.001 0.000 0.292 340 I C -0.022 176.055 176.117 -0.066 0.000 1.040 340 I CA -0.702 60.523 61.300 -0.124 0.000 1.068 340 I CB 2.451 40.343 38.000 -0.179 0.000 1.251 340 I HN 0.058 nan 8.210 nan 0.000 0.424 341 T N 6.418 120.939 114.554 -0.054 0.000 2.772 341 T HA 0.511 4.861 4.350 0.001 0.000 0.288 341 T C -0.220 174.447 174.700 -0.055 0.000 0.994 341 T CA -0.332 61.739 62.100 -0.047 0.000 0.951 341 T CB 0.620 69.468 68.868 -0.033 0.000 0.933 341 T HN 0.160 nan 8.240 nan 0.000 0.447 342 I N 3.215 123.744 120.570 -0.068 0.000 2.339 342 I HA 0.265 4.435 4.170 0.001 0.000 0.290 342 I C 0.641 176.718 176.117 -0.068 0.000 0.994 342 I CA -0.924 60.339 61.300 -0.062 0.000 1.191 342 I CB 1.367 39.331 38.000 -0.060 0.000 1.343 342 I HN 0.499 nan 8.210 nan 0.000 0.458 343 E N 4.522 124.696 120.200 -0.043 0.000 2.415 343 E HA 0.351 4.702 4.350 0.001 0.000 0.260 343 E C 0.677 177.256 176.600 -0.036 0.000 1.016 343 E CA 0.574 56.953 56.400 -0.035 0.000 0.924 343 E CB 0.675 30.368 29.700 -0.012 0.000 0.961 343 E HN 0.889 nan 8.360 nan 0.000 0.459 347 V N 1.564 121.321 119.914 -0.262 0.000 3.099 347 V HA 0.314 4.435 4.120 0.001 0.000 0.356 347 V C 1.558 177.644 176.094 -0.013 0.000 1.364 347 V CA 0.234 62.384 62.300 -0.250 0.000 1.229 347 V CB 0.321 31.769 31.823 -0.626 0.000 1.227 347 V HN 0.336 nan 8.190 nan 0.000 0.493 348 S N 2.271 117.953 115.700 -0.031 0.000 2.392 348 S HA -0.149 4.321 4.470 0.001 0.000 0.232 348 S C 2.073 176.686 174.600 0.022 0.000 1.041 348 S CA 2.188 60.387 58.200 -0.003 0.000 1.026 348 S CB -0.569 62.611 63.200 -0.033 0.000 0.845 348 S HN 0.885 nan 8.310 nan 0.000 0.465 349 G N 0.007 108.816 108.800 0.014 0.000 2.442 349 G HA2 -0.140 3.820 3.960 0.001 0.000 0.219 349 G HA3 -0.140 3.820 3.960 0.001 0.000 0.219 349 G C 0.135 174.981 174.900 -0.090 0.000 1.141 349 G CA 0.483 45.544 45.100 -0.066 0.000 0.763 349 G HN 0.463 nan 8.290 nan 0.000 0.554 350 Y N 0.637 120.950 120.300 0.021 0.000 2.359 350 Y HA 0.515 5.066 4.550 0.001 0.000 0.330 350 Y C 0.945 176.883 175.900 0.063 0.000 1.143 350 Y CA -0.167 57.987 58.100 0.089 0.000 1.318 350 Y CB 0.821 39.400 38.460 0.198 0.000 1.234 350 Y HN -0.056 nan 8.280 nan 0.000 0.522 351 R N 3.245 123.853 120.500 0.180 0.000 2.686 351 R HA 0.545 4.885 4.340 0.001 0.000 0.283 351 R C -1.456 174.876 176.300 0.053 0.000 0.978 351 R CA -1.031 55.105 56.100 0.061 0.000 0.897 351 R CB 2.095 32.353 30.300 -0.070 0.000 1.192 351 R HN 0.489 nan 8.270 nan 0.000 0.457 352 I N 2.037 122.584 120.570 -0.039 0.000 2.321 352 I HA 0.324 4.494 4.170 0.001 0.000 0.291 352 I C -0.026 176.028 176.117 -0.105 0.000 0.998 352 I CA -0.096 61.140 61.300 -0.106 0.000 1.227 352 I CB 1.228 39.060 38.000 -0.281 0.000 1.368 352 I HN 0.687 nan 8.210 nan 0.000 0.466 353 E N 6.373 126.545 120.200 -0.048 0.000 2.291 353 E HA 0.266 4.616 4.350 0.001 0.000 0.276 353 E C -0.667 175.914 176.600 -0.033 0.000 0.896 353 E CA -0.481 55.875 56.400 -0.074 0.000 0.774 353 E CB 1.019 30.634 29.700 -0.141 0.000 1.227 353 E HN 0.520 nan 8.360 nan 0.000 0.413 354 N N 2.820 121.455 118.700 -0.109 0.000 2.727 354 N HA -0.215 4.526 4.740 0.001 0.000 0.249 354 N C 0.415 175.868 175.510 -0.096 0.000 1.048 354 N CA 1.655 54.637 53.050 -0.112 0.000 0.714 354 N CB -1.332 37.130 38.487 -0.042 0.000 0.959 354 N HN 0.977 nan 8.380 nan 0.000 0.544 355 G N -1.008 107.702 108.800 -0.151 0.000 2.160 355 G HA2 -0.298 3.663 3.960 0.001 0.000 0.251 355 G HA3 -0.298 3.663 3.960 0.001 0.000 0.251 355 G C -0.290 174.654 174.900 0.074 0.000 1.008 355 G CA 0.683 45.730 45.100 -0.088 0.000 0.724 355 G HN 0.595 nan 8.290 nan 0.000 0.514 356 E N -1.088 119.121 120.200 0.014 0.000 2.340 356 E HA 0.581 4.931 4.350 0.001 0.000 0.273 356 E C -0.649 175.964 176.600 0.023 0.000 0.891 356 E CA -0.991 55.417 56.400 0.015 0.000 0.757 356 E CB 2.476 32.156 29.700 -0.034 0.000 1.231 356 E HN 0.258 nan 8.360 nan 0.000 0.439 357 I N 2.539 123.111 120.570 0.002 0.000 2.331 357 I HA 0.179 4.349 4.170 0.001 0.000 0.292 357 I C -0.590 175.545 176.117 0.029 0.000 0.998 357 I CA -0.434 60.906 61.300 0.066 0.000 1.267 357 I CB 0.380 38.436 38.000 0.093 0.000 1.386 357 I HN 0.496 nan 8.210 nan 0.000 0.476 358 H N 6.962 126.032 119.070 -0.001 0.000 2.705 358 H HA 0.246 4.802 4.556 0.000 0.000 0.291 358 H C -0.630 174.638 175.328 -0.099 0.000 1.085 358 H CA -0.649 55.363 56.048 -0.060 0.000 1.357 358 H CB 1.231 30.953 29.762 -0.067 0.000 1.419 358 H HN 0.312 nan 8.280 nan 0.000 0.462 359 V N 7.387 127.218 119.914 -0.137 0.000 2.432 359 V HA 0.099 4.219 4.120 0.001 0.000 0.271 359 V C -1.666 174.252 176.094 -0.293 0.000 1.046 359 V CA -1.479 60.640 62.300 -0.301 0.000 0.945 359 V CB 1.018 32.633 31.823 -0.347 0.000 0.992 359 V HN 0.659 nan 8.190 nan 0.000 0.471 360 P HA 0.170 nan 4.420 nan 0.000 0.272 360 P C 0.071 177.384 177.300 0.022 0.000 1.223 360 P CA -0.339 62.655 63.100 -0.176 0.000 0.784 360 P CB 1.230 32.780 31.700 -0.250 0.000 0.923 361 A N 1.693 124.546 122.820 0.055 0.000 2.276 361 A HA 0.133 4.454 4.320 0.001 0.000 0.212 361 A C 0.954 178.530 177.584 -0.012 0.000 1.230 361 A CA 0.133 52.225 52.037 0.090 0.000 0.844 361 A CB -1.259 17.785 19.000 0.074 0.000 0.860 361 A HN 0.649 nan 8.150 nan 0.000 0.486 362 T N -1.598 112.949 114.554 -0.010 0.000 2.868 362 T HA 0.431 4.781 4.350 0.001 0.000 0.292 362 T C -2.739 171.943 174.700 -0.030 0.000 1.028 362 T CA -1.786 60.298 62.100 -0.027 0.000 1.059 362 T CB 0.411 69.266 68.868 -0.023 0.000 0.991 362 T HN 0.019 nan 8.240 nan 0.000 0.531 363 P HA 0.254 nan 4.420 nan 0.000 0.266 363 P C 1.221 178.492 177.300 -0.049 0.000 1.193 363 P CA 1.475 64.529 63.100 -0.076 0.000 0.770 363 P CB -0.164 31.487 31.700 -0.082 0.000 0.836 364 G N 1.940 110.672 108.800 -0.114 0.000 2.583 364 G HA2 -0.340 3.620 3.960 0.001 0.000 0.292 364 G HA3 -0.340 3.620 3.960 0.001 0.000 0.292 364 G C 0.450 175.207 174.900 -0.238 0.000 1.203 364 G CA 0.124 45.129 45.100 -0.159 0.000 0.987 364 G HN 0.417 nan 8.290 nan 0.000 0.554 365 F N 3.028 122.986 119.950 0.013 0.000 2.797 365 F HA 0.405 4.933 4.527 0.001 0.000 0.302 365 F C 2.308 178.217 175.800 0.181 0.000 1.130 365 F CA 1.373 59.319 58.000 -0.091 0.000 1.387 365 F CB 0.342 39.303 39.000 -0.065 0.000 1.107 365 F HN 1.597 nan 8.300 nan 0.000 0.577 366 G N 0.950 109.914 108.800 0.274 0.000 2.184 366 G HA2 -0.331 3.630 3.960 0.001 0.000 0.264 366 G HA3 -0.331 3.630 3.960 0.001 0.000 0.264 366 G C 0.354 175.362 174.900 0.179 0.000 0.975 366 G CA 0.129 45.346 45.100 0.195 0.000 0.642 366 G HN 0.318 nan 8.290 nan 0.000 0.536 367 I N 1.056 121.733 120.570 0.178 0.000 2.342 367 I HA 0.406 4.576 4.170 0.001 0.000 0.291 367 I C 0.393 176.436 176.117 -0.124 0.000 1.010 367 I CA -0.862 60.399 61.300 -0.065 0.000 1.308 367 I CB 1.763 39.656 38.000 -0.179 0.000 1.400 367 I HN -0.135 nan 8.210 nan 0.000 0.488 368 V N 7.605 127.372 119.914 -0.245 0.000 2.333 368 V HA 0.277 4.397 4.120 0.001 0.000 0.274 368 V C -0.131 175.739 176.094 -0.374 0.000 1.028 368 V CA -0.351 61.833 62.300 -0.193 0.000 0.851 368 V CB 0.457 32.209 31.823 -0.118 0.000 1.000 368 V HN 0.363 nan 8.190 nan 0.000 0.456 369 F N 2.614 122.339 119.950 -0.375 0.000 2.396 369 F HA 0.268 4.795 4.527 0.001 0.000 0.343 369 F C 0.984 176.580 175.800 -0.341 0.000 1.104 369 F CA -0.387 57.309 58.000 -0.507 0.000 1.161 369 F CB 0.777 39.078 39.000 -1.166 0.000 1.146 369 F HN 0.418 nan 8.300 nan 0.000 0.522 370 D N 3.873 124.227 120.400 -0.076 0.000 2.367 370 D HA -0.048 4.593 4.640 0.001 0.000 0.255 370 D C 0.673 176.955 176.300 -0.030 0.000 1.300 370 D CA 0.141 54.108 54.000 -0.054 0.000 0.959 370 D CB 0.370 41.139 40.800 -0.052 0.000 1.064 370 D HN 0.535 nan 8.370 nan 0.000 0.509 371 D N 3.472 123.868 120.400 -0.008 0.000 2.133 371 D HA -0.211 4.430 4.640 0.001 0.000 0.195 371 D C 1.426 177.680 176.300 -0.077 0.000 0.997 371 D CA 1.384 55.410 54.000 0.043 0.000 0.840 371 D CB 0.362 41.200 40.800 0.064 0.000 0.947 371 D HN 0.563 nan 8.370 nan 0.000 0.452 372 E N 0.798 120.896 120.200 -0.169 0.000 2.031 372 E HA -0.148 4.202 4.350 0.001 0.000 0.193 372 E C 2.057 178.259 176.600 -0.663 0.000 0.994 372 E CA 0.343 56.492 56.400 -0.417 0.000 0.800 372 E CB -0.475 29.021 29.700 -0.340 0.000 0.752 372 E HN 0.156 nan 8.360 nan 0.000 0.447 373 L N 0.387 121.425 121.223 -0.309 0.000 2.083 373 L HA -0.117 4.223 4.340 0.001 0.000 0.209 373 L C 2.020 178.867 176.870 -0.038 0.000 1.083 373 L CA 1.376 56.158 54.840 -0.097 0.000 0.752 373 L CB -0.245 41.831 42.059 0.029 0.000 0.899 373 L HN 0.034 nan 8.230 nan 0.000 0.433 374 V N -0.826 119.064 119.914 -0.041 0.000 2.379 374 V HA -0.241 3.879 4.120 0.001 0.000 0.245 374 V C 2.453 178.537 176.094 -0.016 0.000 1.044 374 V CA 2.030 64.336 62.300 0.010 0.000 1.036 374 V CB -1.005 30.875 31.823 0.095 0.000 0.664 374 V HN 0.525 nan 8.190 nan 0.000 0.453 375 T N -0.566 113.945 114.554 -0.073 0.000 2.720 375 T HA -0.215 4.136 4.350 0.001 0.000 0.268 375 T C 1.808 176.529 174.700 0.035 0.000 1.037 375 T CA 1.940 64.004 62.100 -0.060 0.000 1.144 375 T CB -0.385 68.413 68.868 -0.118 0.000 0.864 375 T HN 0.413 nan 8.240 nan 0.000 0.444 376 Y N 1.398 121.709 120.300 0.019 0.000 2.097 376 Y HA -0.034 4.516 4.550 0.001 0.000 0.282 376 Y C 2.300 178.207 175.900 0.012 0.000 1.152 376 Y CA 0.185 58.294 58.100 0.016 0.000 1.136 376 Y CB -1.177 37.291 38.460 0.014 0.000 0.975 376 Y HN 0.175 nan 8.280 nan 0.000 0.498 377 L N -0.887 120.434 121.223 0.163 0.000 2.093 377 L HA -0.208 4.133 4.340 0.001 0.000 0.208 377 L C 2.290 179.188 176.870 0.047 0.000 1.085 377 L CA 1.026 55.915 54.840 0.082 0.000 0.755 377 L CB -0.593 41.489 42.059 0.039 0.000 0.904 377 L HN 0.187 nan 8.230 nan 0.000 0.435 378 I N -0.079 120.506 120.570 0.025 0.000 2.142 378 I HA -0.300 3.870 4.170 0.001 0.000 0.240 378 I C 2.230 178.385 176.117 0.063 0.000 1.078 378 I CA 1.223 62.528 61.300 0.008 0.000 1.343 378 I CB -0.415 37.569 38.000 -0.026 0.000 1.046 378 I HN 0.327 nan 8.210 nan 0.000 0.405 379 N N 0.572 119.321 118.700 0.082 0.000 2.084 379 N HA -0.189 4.551 4.740 0.001 0.000 0.190 379 N C 1.904 177.468 175.510 0.090 0.000 1.030 379 N CA 1.241 54.347 53.050 0.094 0.000 0.849 379 N CB -0.437 38.116 38.487 0.109 0.000 1.012 379 N HN 0.297 nan 8.380 nan 0.000 0.423 380 R N 0.099 120.652 120.500 0.089 0.000 2.062 380 R HA 0.077 4.418 4.340 0.001 0.000 0.231 380 R C 0.935 177.282 176.300 0.077 0.000 1.136 380 R CA 1.552 57.696 56.100 0.072 0.000 0.948 380 R CB 0.132 30.470 30.300 0.063 0.000 0.845 380 R HN 0.130 nan 8.270 nan 0.000 0.430 381 S N -1.800 113.952 115.700 0.087 0.000 2.679 381 S HA 0.263 4.734 4.470 0.001 0.000 0.258 381 S C 0.301 174.991 174.600 0.150 0.000 1.068 381 S CA -0.120 58.141 58.200 0.102 0.000 1.115 381 S CB 1.666 64.915 63.200 0.081 0.000 1.078 381 S HN 0.505 nan 8.310 nan 0.000 0.603 382 G N 1.168 110.050 108.800 0.136 0.000 2.849 382 G HA2 0.648 4.608 3.960 0.001 0.000 0.174 382 G HA3 0.648 4.608 3.960 0.001 0.000 0.174 382 G C -0.905 174.142 174.900 0.245 0.000 1.370 382 G CA -0.677 44.522 45.100 0.165 0.000 1.040 382 G HN 0.411 nan 8.290 nan 0.000 0.582 383 W N -2.587 118.818 121.300 0.174 0.000 3.005 383 W HA 0.690 5.351 4.660 0.001 0.000 0.343 383 W C -1.409 175.170 176.519 0.101 0.000 1.243 383 W CA -0.790 56.617 57.345 0.103 0.000 1.186 383 W CB 1.108 30.601 29.460 0.055 0.000 1.453 383 W HN 0.775 nan 8.180 nan 0.000 0.575 384 S N 0.966 116.966 115.700 0.501 0.000 2.619 384 S HA 0.390 4.860 4.470 0.001 0.000 0.280 384 S C -1.441 173.367 174.600 0.348 0.000 1.150 384 S CA -0.332 58.067 58.200 0.331 0.000 0.978 384 S CB 1.494 64.785 63.200 0.151 0.000 1.041 384 S HN 0.372 nan 8.310 nan 0.000 0.485 385 E N 2.467 122.876 120.200 0.348 0.000 2.176 385 E HA 0.686 5.036 4.350 0.001 0.000 0.267 385 E C 0.082 176.759 176.600 0.129 0.000 0.893 385 E CA -0.578 55.951 56.400 0.214 0.000 0.761 385 E CB 1.646 31.481 29.700 0.225 0.000 1.133 385 E HN 0.809 nan 8.360 nan 0.000 0.409 386 G N 0.000 108.847 108.800 0.078 0.000 5.446 386 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 386 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 386 G CA 0.000 45.127 45.100 0.045 0.000 0.502 386 G HN 0.000 nan 8.290 nan 0.000 0.925