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 1one_1_B DATA FIRST_RESID 1 DATA SEQUENCE AVSKVYARSV YDSRGNPTVE VELTTEKGVF RSIVPSGAST GVHEALEMRD DATA SEQUENCE GDKSKWMGKG VLHAVKNVND VIAPAFVKAN IDVKDQKAVD DFLISLDGTA DATA SEQUENCE NKSKLGANAI LGVSLAASRA AAAEKNVPLY KHLADLSKSK TSPYVLPVPF DATA SEQUENCE LNVLNGGSHA GGALALQEFM IAPTGAKTFA EALRIGSEVY HNLKSLTKKR DATA SEQUENCE YGASAGNVGD EGGVAPNIQT AEEALDLIVD AIKAAGHDGK VKIGLDCASS DATA SEQUENCE EFFKDGKYDL DFKNPNSDKS KWLTGPQLAD LYHSLMKRYP IVSIEDPFAE DATA SEQUENCE DDWEAWSHFF KTAGIQIVAD DLTVTNPKRI ATAIEKKAAD ALLLKVNQIG DATA SEQUENCE TLSESIKAAQ DSFAAGWGVM VSHRSGETED TFIADLVVGL RTGQIKTGAP DATA SEQUENCE ARSERLAKLN QLLRIEEELG DNAVFAGENF HHGDKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.613 177.584 0.048 0.000 1.274 1 A CA 0.000 52.051 52.037 0.023 0.000 0.836 1 A CB 0.000 19.009 19.000 0.016 0.000 0.831 2 V N 3.005 122.960 119.914 0.067 0.000 2.385 2 V HA 0.384 4.504 4.120 -0.000 0.000 0.269 2 V C 1.422 177.565 176.094 0.082 0.000 1.043 2 V CA 0.783 63.142 62.300 0.098 0.000 0.906 2 V CB 0.981 32.910 31.823 0.177 0.000 0.995 2 V HN 1.330 nan 8.190 nan 0.000 0.467 3 S N 3.424 119.163 115.700 0.066 0.000 2.503 3 S HA 0.228 4.698 4.470 -0.000 0.000 0.215 3 S C 0.463 175.094 174.600 0.050 0.000 1.003 3 S CA -0.073 58.158 58.200 0.051 0.000 0.910 3 S CB 0.246 63.467 63.200 0.036 0.000 0.790 3 S HN 0.671 nan 8.310 nan 0.000 0.514 4 K N 0.263 120.694 120.400 0.053 0.000 2.557 4 K HA 0.562 4.882 4.320 -0.000 0.000 0.261 4 K C -2.295 174.329 176.600 0.041 0.000 0.932 4 K CA -0.627 55.690 56.287 0.050 0.000 0.829 4 K CB 2.368 34.888 32.500 0.033 0.000 1.358 4 K HN 0.025 nan 8.250 nan 0.000 0.430 5 V N 4.173 124.113 119.914 0.043 0.000 2.483 5 V HA 0.497 4.617 4.120 -0.000 0.000 0.297 5 V C -1.465 174.687 176.094 0.098 0.000 1.027 5 V CA -0.720 61.578 62.300 -0.003 0.000 0.855 5 V CB 1.315 33.065 31.823 -0.122 0.000 0.995 5 V HN 0.759 nan 8.190 nan 0.000 0.424 6 Y N 3.561 123.829 120.300 -0.053 0.000 2.534 6 Y HA 0.828 5.377 4.550 -0.001 0.000 0.345 6 Y C -0.444 175.432 175.900 -0.040 0.000 1.031 6 Y CA -0.503 57.577 58.100 -0.034 0.000 1.022 6 Y CB 2.063 40.511 38.460 -0.021 0.000 1.292 6 Y HN 0.790 nan 8.280 nan 0.000 0.459 7 A N 5.581 127.946 122.820 -0.757 0.000 2.454 7 A HA 0.959 5.279 4.320 -0.000 0.000 0.302 7 A C -1.437 175.692 177.584 -0.758 0.000 1.079 7 A CA -0.952 50.754 52.037 -0.551 0.000 0.731 7 A CB 1.847 20.658 19.000 -0.316 0.000 1.299 7 A HN 0.913 nan 8.150 nan 0.000 0.413 8 R N 0.018 120.289 120.500 -0.382 0.000 2.799 8 R HA 0.743 5.083 4.340 -0.000 0.000 0.270 8 R C -1.220 174.980 176.300 -0.168 0.000 1.010 8 R CA -0.527 55.433 56.100 -0.233 0.000 0.916 8 R CB 1.378 31.648 30.300 -0.051 0.000 1.228 8 R HN 0.470 nan 8.270 nan 0.000 0.469 9 S N 0.722 116.333 115.700 -0.147 0.000 2.537 9 S HA 0.489 4.959 4.470 -0.000 0.000 0.275 9 S C 0.091 174.586 174.600 -0.175 0.000 1.272 9 S CA -0.506 57.556 58.200 -0.231 0.000 1.050 9 S CB 1.326 64.336 63.200 -0.317 0.000 0.961 9 S HN 0.514 nan 8.310 nan 0.000 0.496 10 V N 0.576 120.350 119.914 -0.234 0.000 3.167 10 V HA 0.717 4.836 4.120 -0.000 0.000 0.310 10 V C -1.916 174.008 176.094 -0.284 0.000 1.207 10 V CA -1.097 61.137 62.300 -0.111 0.000 1.059 10 V CB 1.015 32.836 31.823 -0.004 0.000 1.079 10 V HN 0.710 nan 8.190 nan 0.000 0.446 11 Y N 1.235 121.514 120.300 -0.036 0.000 2.387 11 Y HA 0.649 5.200 4.550 0.001 0.000 0.336 11 Y C 0.280 176.163 175.900 -0.028 0.000 1.067 11 Y CA -0.479 57.599 58.100 -0.036 0.000 1.114 11 Y CB 1.317 39.782 38.460 0.009 0.000 1.208 11 Y HN 0.997 nan 8.280 nan 0.000 0.458 12 D N -0.811 119.633 120.400 0.073 0.000 2.478 12 D HA 0.073 4.713 4.640 -0.000 0.000 0.269 12 D C 1.072 177.416 176.300 0.073 0.000 1.232 12 D CA -0.240 53.785 54.000 0.042 0.000 1.059 12 D CB 0.518 41.307 40.800 -0.017 0.000 1.104 12 D HN 0.416 nan 8.370 nan 0.000 0.566 13 S N -1.078 114.646 115.700 0.039 0.000 2.507 13 S HA -0.112 4.357 4.470 -0.000 0.000 0.235 13 S C 1.458 176.078 174.600 0.034 0.000 0.988 13 S CA 0.445 58.666 58.200 0.035 0.000 0.944 13 S CB -0.355 62.856 63.200 0.018 0.000 0.762 13 S HN 0.514 nan 8.310 nan 0.000 0.526 14 R N 0.101 120.623 120.500 0.036 0.000 2.397 14 R HA 0.301 4.641 4.340 -0.000 0.000 0.241 14 R C 1.206 177.552 176.300 0.078 0.000 0.914 14 R CA 0.440 56.565 56.100 0.041 0.000 1.071 14 R CB 0.415 30.730 30.300 0.025 0.000 1.116 14 R HN 0.552 nan 8.270 nan 0.000 0.524 15 G N 1.065 109.940 108.800 0.125 0.000 2.134 15 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.209 15 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.209 15 G C -0.534 174.540 174.900 0.290 0.000 0.993 15 G CA -0.322 44.906 45.100 0.213 0.000 0.669 15 G HN 0.363 nan 8.290 nan 0.000 0.519 16 N N 1.341 120.131 118.700 0.151 0.000 2.417 16 N HA 0.628 5.368 4.740 -0.000 0.000 0.300 16 N C -2.744 172.646 175.510 -0.199 0.000 1.102 16 N CA -1.788 51.272 53.050 0.017 0.000 0.886 16 N CB 2.166 40.638 38.487 -0.026 0.000 1.203 16 N HN 0.002 nan 8.380 nan 0.000 0.496 17 P HA 0.099 nan 4.420 nan 0.000 0.271 17 P C -0.576 176.450 177.300 -0.456 0.000 1.218 17 P CA 0.004 62.643 63.100 -0.768 0.000 0.780 17 P CB 1.003 32.004 31.700 -1.165 0.000 0.901 18 T N 0.529 114.841 114.554 -0.404 0.000 2.787 18 T HA 0.407 4.757 4.350 -0.000 0.000 0.297 18 T C -1.274 173.281 174.700 -0.242 0.000 1.221 18 T CA -0.574 61.369 62.100 -0.262 0.000 1.006 18 T CB 0.906 69.672 68.868 -0.171 0.000 1.328 18 T HN -0.016 nan 8.240 nan 0.000 0.509 19 V N 2.702 122.504 119.914 -0.186 0.000 2.439 19 V HA 0.543 4.663 4.120 -0.000 0.000 0.282 19 V C 0.100 176.116 176.094 -0.131 0.000 1.039 19 V CA -0.429 61.769 62.300 -0.169 0.000 0.913 19 V CB 1.206 32.933 31.823 -0.159 0.000 0.983 19 V HN 0.846 nan 8.190 nan 0.000 0.460 20 E N 4.071 124.197 120.200 -0.125 0.000 2.199 20 E HA 0.666 5.016 4.350 -0.000 0.000 0.265 20 E C -1.738 174.808 176.600 -0.090 0.000 0.882 20 E CA -0.457 55.893 56.400 -0.082 0.000 0.759 20 E CB 2.090 31.762 29.700 -0.047 0.000 1.148 20 E HN 0.451 nan 8.360 nan 0.000 0.412 21 V N 3.854 123.730 119.914 -0.064 0.000 2.769 21 V HA 0.425 4.545 4.120 -0.000 0.000 0.312 21 V C -0.709 175.385 176.094 -0.000 0.000 1.061 21 V CA -0.704 61.560 62.300 -0.061 0.000 0.931 21 V CB 2.065 33.834 31.823 -0.089 0.000 1.010 21 V HN 0.765 nan 8.190 nan 0.000 0.433 22 E N 3.459 123.682 120.200 0.038 0.000 2.246 22 E HA 0.549 4.899 4.350 -0.000 0.000 0.266 22 E C -1.467 175.172 176.600 0.065 0.000 0.880 22 E CA -0.560 55.886 56.400 0.076 0.000 0.762 22 E CB 2.717 32.486 29.700 0.115 0.000 1.180 22 E HN 0.443 nan 8.360 nan 0.000 0.416 23 L N 2.428 123.700 121.223 0.082 0.000 2.296 23 L HA 0.428 4.768 4.340 -0.000 0.000 0.286 23 L C -0.551 176.420 176.870 0.169 0.000 1.023 23 L CA -0.376 54.509 54.840 0.075 0.000 0.812 23 L CB 1.817 43.903 42.059 0.045 0.000 1.223 23 L HN 0.518 nan 8.230 nan 0.000 0.421 24 T N 1.508 116.130 114.554 0.113 0.000 2.771 24 T HA 0.547 4.897 4.350 -0.000 0.000 0.281 24 T C 0.101 174.883 174.700 0.136 0.000 0.982 24 T CA -0.519 61.648 62.100 0.112 0.000 0.978 24 T CB 1.486 70.378 68.868 0.041 0.000 0.930 24 T HN 0.731 nan 8.240 nan 0.000 0.447 25 T N -0.482 114.190 114.554 0.196 0.000 2.742 25 T HA 0.402 4.752 4.350 -0.000 0.000 0.282 25 T C 1.064 175.842 174.700 0.130 0.000 1.025 25 T CA -0.944 61.249 62.100 0.156 0.000 1.020 25 T CB 1.117 70.085 68.868 0.166 0.000 1.317 25 T HN 0.445 nan 8.240 nan 0.000 0.538 26 E N 0.447 120.704 120.200 0.094 0.000 2.273 26 E HA -0.115 4.235 4.350 -0.000 0.000 0.198 26 E C 1.257 177.911 176.600 0.089 0.000 1.002 26 E CA 0.833 57.273 56.400 0.067 0.000 0.828 26 E CB -0.158 29.570 29.700 0.046 0.000 0.747 26 E HN 0.365 nan 8.360 nan 0.000 0.491 27 K N 0.336 120.838 120.400 0.169 0.000 2.358 27 K HA 0.301 4.621 4.320 -0.000 0.000 0.197 27 K C 0.705 177.408 176.600 0.172 0.000 1.025 27 K CA 0.650 57.068 56.287 0.218 0.000 1.104 27 K CB 1.323 34.022 32.500 0.332 0.000 0.855 27 K HN 0.215 nan 8.250 nan 0.000 0.531 28 G N -0.074 108.772 108.800 0.076 0.000 2.334 28 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.315 28 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.315 28 G C -1.684 172.960 174.900 -0.426 0.000 1.284 28 G CA -0.907 44.041 45.100 -0.255 0.000 0.985 28 G HN -0.139 nan 8.290 nan 0.000 0.504 29 V N 0.630 120.156 119.914 -0.646 0.000 2.370 29 V HA 0.683 4.803 4.120 -0.000 0.000 0.283 29 V C -0.725 174.932 176.094 -0.727 0.000 1.023 29 V CA -0.372 61.659 62.300 -0.448 0.000 0.857 29 V CB 0.886 32.578 31.823 -0.218 0.000 0.985 29 V HN 0.559 nan 8.190 nan 0.000 0.443 30 F N 4.243 124.195 119.950 0.004 0.000 2.426 30 F HA 0.631 5.158 4.527 0.000 0.000 0.348 30 F C 0.318 176.124 175.800 0.010 0.000 1.124 30 F CA -0.581 57.425 58.000 0.010 0.000 1.008 30 F CB 1.415 40.419 39.000 0.008 0.000 1.139 30 F HN 0.324 nan 8.300 nan 0.000 0.452 31 R N 1.931 122.514 120.500 0.138 0.000 2.514 31 R HA 0.766 5.106 4.340 -0.000 0.000 0.301 31 R C -1.196 175.158 176.300 0.090 0.000 0.962 31 R CA -0.274 55.877 56.100 0.086 0.000 0.882 31 R CB 1.488 31.816 30.300 0.047 0.000 1.143 31 R HN 0.735 nan 8.270 nan 0.000 0.452 32 S N 4.154 119.881 115.700 0.045 0.000 2.541 32 S HA 0.566 5.036 4.470 -0.000 0.000 0.280 32 S C -0.871 173.719 174.600 -0.016 0.000 1.112 32 S CA -0.659 57.552 58.200 0.018 0.000 0.925 32 S CB 1.461 64.641 63.200 -0.034 0.000 1.067 32 S HN 0.522 nan 8.310 nan 0.000 0.479 33 I N 1.705 122.266 120.570 -0.015 0.000 2.569 33 I HA 0.497 4.667 4.170 -0.000 0.000 0.296 33 I C -0.753 175.334 176.117 -0.050 0.000 1.028 33 I CA -1.174 60.107 61.300 -0.031 0.000 1.082 33 I CB 1.908 39.904 38.000 -0.008 0.000 1.264 33 I HN 0.231 nan 8.210 nan 0.000 0.429 34 V N 6.500 126.371 119.914 -0.071 0.000 2.465 34 V HA 0.318 4.438 4.120 -0.000 0.000 0.279 34 V C -1.909 174.148 176.094 -0.061 0.000 1.045 34 V CA -1.319 60.935 62.300 -0.076 0.000 0.938 34 V CB 0.933 32.699 31.823 -0.096 0.000 0.986 34 V HN 0.607 nan 8.190 nan 0.000 0.467 35 P HA 0.340 nan 4.420 nan 0.000 0.279 35 P C -0.755 176.514 177.300 -0.052 0.000 1.276 35 P CA -0.578 62.501 63.100 -0.035 0.000 0.801 35 P CB 1.276 32.970 31.700 -0.009 0.000 1.127 36 S N -0.990 114.677 115.700 -0.055 0.000 2.677 36 S HA 0.627 5.097 4.470 -0.000 0.000 0.283 36 S C -0.162 174.404 174.600 -0.056 0.000 1.159 36 S CA -0.639 57.527 58.200 -0.057 0.000 1.001 36 S CB 0.230 63.391 63.200 -0.065 0.000 1.032 36 S HN 0.636 nan 8.310 nan 0.000 0.487 37 G N 2.012 110.788 108.800 -0.040 0.000 2.562 37 G HA2 0.610 4.570 3.960 -0.000 0.000 0.275 37 G HA3 0.610 4.570 3.960 -0.000 0.000 0.275 37 G C 0.741 175.639 174.900 -0.005 0.000 1.196 37 G CA -0.053 45.031 45.100 -0.027 0.000 0.908 37 G HN 0.990 nan 8.290 nan 0.000 0.524 38 A N -0.180 122.663 122.820 0.037 0.000 1.983 38 A HA 0.322 4.641 4.320 -0.000 0.000 0.207 38 A C 1.805 179.436 177.584 0.080 0.000 1.412 38 A CA 1.162 53.243 52.037 0.074 0.000 0.750 38 A CB -0.302 18.780 19.000 0.136 0.000 1.047 38 A HN 1.260 nan 8.150 nan 0.000 0.504 39 S N 2.007 117.771 115.700 0.107 0.000 3.965 39 S HA 0.345 4.814 4.470 -0.000 0.000 0.195 39 S C 0.202 174.807 174.600 0.008 0.000 1.449 39 S CA 0.132 58.354 58.200 0.037 0.000 0.965 39 S CB -1.224 61.974 63.200 -0.003 0.000 1.459 39 S HN 0.589 nan 8.310 nan 0.000 0.476 40 T N 0.005 114.559 114.554 0.000 0.000 2.869 40 T HA 0.577 4.927 4.350 -0.000 0.000 0.295 40 T C 0.779 175.457 174.700 -0.036 0.000 0.987 40 T CA -0.452 61.640 62.100 -0.014 0.000 1.109 40 T CB 0.970 69.829 68.868 -0.016 0.000 0.932 40 T HN 0.543 nan 8.240 nan 0.000 0.518 41 G N 1.011 109.791 108.800 -0.034 0.000 2.491 41 G HA2 0.299 4.259 3.960 -0.000 0.000 0.242 41 G HA3 0.299 4.259 3.960 -0.000 0.000 0.242 41 G C 1.024 175.870 174.900 -0.091 0.000 1.266 41 G CA -0.586 44.484 45.100 -0.050 0.000 0.844 41 G HN 0.792 nan 8.290 nan 0.000 0.571 42 V N 1.569 121.372 119.914 -0.184 0.000 2.594 42 V HA -0.142 3.978 4.120 -0.000 0.000 0.253 42 V C 2.015 177.899 176.094 -0.349 0.000 1.069 42 V CA 1.983 64.108 62.300 -0.292 0.000 1.082 42 V CB -0.726 30.868 31.823 -0.381 0.000 0.680 42 V HN 0.814 nan 8.190 nan 0.000 0.469 43 H N -0.551 118.509 119.070 -0.016 0.000 2.539 43 H HA 0.273 4.829 4.556 -0.000 0.000 0.269 43 H C 0.851 176.171 175.328 -0.014 0.000 0.980 43 H CA -0.255 55.788 56.048 -0.009 0.000 1.152 43 H CB 0.102 29.861 29.762 -0.004 0.000 1.407 43 H HN 0.520 nan 8.280 nan 0.000 0.564 44 E N 1.195 121.422 120.200 0.044 0.000 2.415 44 E HA 0.220 4.570 4.350 -0.000 0.000 0.262 44 E C 0.335 176.942 176.600 0.011 0.000 1.038 44 E CA -0.219 56.195 56.400 0.023 0.000 0.921 44 E CB 0.833 30.532 29.700 -0.001 0.000 0.950 44 E HN 0.373 nan 8.360 nan 0.000 0.438 45 A N 2.506 125.328 122.820 0.003 0.000 2.536 45 A HA -0.005 4.315 4.320 -0.000 0.000 0.234 45 A C -0.069 177.502 177.584 -0.022 0.000 1.076 45 A CA -0.286 51.746 52.037 -0.009 0.000 0.769 45 A CB 0.143 19.133 19.000 -0.017 0.000 1.020 45 A HN 0.514 nan 8.150 nan 0.000 0.508 46 L N 0.815 122.021 121.223 -0.028 0.000 2.477 46 L HA 0.189 4.529 4.340 -0.000 0.000 0.272 46 L C 0.647 177.486 176.870 -0.052 0.000 1.157 46 L CA 0.416 55.234 54.840 -0.037 0.000 0.889 46 L CB 0.316 42.352 42.059 -0.038 0.000 1.158 46 L HN 0.748 nan 8.230 nan 0.000 0.473 47 E N 6.303 126.473 120.200 -0.051 0.000 2.052 47 E HA 0.123 4.473 4.350 -0.000 0.000 0.283 47 E C -0.475 176.084 176.600 -0.069 0.000 1.071 47 E CA -0.475 55.886 56.400 -0.064 0.000 0.851 47 E CB 0.707 30.373 29.700 -0.057 0.000 1.066 47 E HN 0.743 nan 8.360 nan 0.000 0.396 48 M N 5.792 125.335 119.600 -0.094 0.000 2.194 48 M HA 0.168 4.648 4.480 -0.000 0.000 0.347 48 M C -0.766 175.483 176.300 -0.085 0.000 1.439 48 M CA 0.030 55.269 55.300 -0.102 0.000 1.131 48 M CB 0.191 32.680 32.600 -0.186 0.000 1.733 48 M HN 0.359 nan 8.290 nan 0.000 0.467 49 R N 3.339 123.815 120.500 -0.039 0.000 2.778 49 R HA 0.282 4.622 4.340 -0.000 0.000 0.277 49 R C -0.091 176.228 176.300 0.033 0.000 0.977 49 R CA -0.729 55.358 56.100 -0.023 0.000 0.950 49 R CB 1.288 31.578 30.300 -0.017 0.000 1.165 49 R HN 0.687 nan 8.270 nan 0.000 0.474 50 D N 0.520 120.950 120.400 0.049 0.000 2.149 50 D HA -0.000 4.640 4.640 -0.000 0.000 0.201 50 D C 1.065 177.413 176.300 0.080 0.000 0.972 50 D CA 1.478 55.532 54.000 0.090 0.000 0.835 50 D CB 0.087 40.953 40.800 0.111 0.000 0.966 50 D HN 0.920 nan 8.370 nan 0.000 0.476 51 G N 1.502 110.347 108.800 0.074 0.000 2.160 51 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.251 51 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.251 51 G C -0.151 174.789 174.900 0.067 0.000 1.008 51 G CA 0.327 45.465 45.100 0.064 0.000 0.724 51 G HN 0.354 nan 8.290 nan 0.000 0.514 52 D N 0.408 120.862 120.400 0.090 0.000 2.411 52 D HA 0.310 4.950 4.640 -0.000 0.000 0.225 52 D C 1.582 177.928 176.300 0.078 0.000 1.156 52 D CA -0.502 53.544 54.000 0.076 0.000 0.874 52 D CB 0.300 41.154 40.800 0.090 0.000 1.034 52 D HN 0.339 nan 8.370 nan 0.000 0.502 53 K N 1.237 121.670 120.400 0.054 0.000 2.442 53 K HA -0.101 4.218 4.320 -0.000 0.000 0.199 53 K C 1.522 178.141 176.600 0.032 0.000 1.044 53 K CA 0.877 57.193 56.287 0.048 0.000 0.941 53 K CB 0.053 32.574 32.500 0.036 0.000 0.759 53 K HN 0.371 nan 8.250 nan 0.000 0.472 54 S N 0.206 115.916 115.700 0.016 0.000 2.593 54 S HA 0.073 4.543 4.470 -0.000 0.000 0.217 54 S C 0.277 174.843 174.600 -0.056 0.000 0.966 54 S CA -0.084 58.106 58.200 -0.017 0.000 0.914 54 S CB 0.211 63.396 63.200 -0.025 0.000 0.776 54 S HN -0.036 nan 8.310 nan 0.000 0.523 55 K N 1.141 121.527 120.400 -0.023 0.000 2.578 55 K HA 0.180 4.500 4.320 -0.000 0.000 0.250 55 K C -0.732 175.946 176.600 0.130 0.000 0.955 55 K CA -0.499 55.711 56.287 -0.129 0.000 0.825 55 K CB 0.778 33.198 32.500 -0.134 0.000 1.151 55 K HN 0.313 nan 8.250 nan 0.000 0.432 56 W N 4.215 125.537 121.300 0.037 0.000 4.849 56 W HA -0.261 4.399 4.660 0.000 0.000 0.358 56 W C 0.168 176.705 176.519 0.031 0.000 1.331 56 W CA 0.435 57.806 57.345 0.043 0.000 0.844 56 W CB -1.959 27.517 29.460 0.027 0.000 2.434 56 W HN 0.800 nan 8.180 nan 0.000 1.458 57 M N -1.962 117.746 119.600 0.179 0.000 2.682 57 M HA -0.276 4.204 4.480 -0.000 0.000 0.196 57 M C 1.294 177.669 176.300 0.124 0.000 0.542 57 M CA 2.292 57.666 55.300 0.124 0.000 0.593 57 M CB -2.626 30.042 32.600 0.113 0.000 2.183 57 M HN 1.019 nan 8.290 nan 0.000 0.663 58 G N -0.129 108.763 108.800 0.153 0.000 2.175 58 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.244 58 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.244 58 G C 0.605 175.577 174.900 0.119 0.000 0.982 58 G CA 0.523 45.697 45.100 0.124 0.000 0.641 58 G HN 0.569 nan 8.290 nan 0.000 0.527 59 K N 1.009 121.498 120.400 0.147 0.000 2.469 59 K HA 0.383 4.703 4.320 -0.000 0.000 0.201 59 K C 1.509 178.073 176.600 -0.060 0.000 1.028 59 K CA 0.137 56.455 56.287 0.052 0.000 1.170 59 K CB 0.601 33.121 32.500 0.033 0.000 0.874 59 K HN 0.410 nan 8.250 nan 0.000 0.507 60 G N 0.798 109.618 108.800 0.034 0.000 2.594 60 G HA2 0.165 4.125 3.960 -0.000 0.000 0.243 60 G HA3 0.165 4.125 3.960 -0.000 0.000 0.243 60 G C 0.633 175.385 174.900 -0.247 0.000 1.229 60 G CA -0.448 44.509 45.100 -0.239 0.000 0.843 60 G HN 0.138 nan 8.290 nan 0.000 0.578 61 V N 0.112 119.796 119.914 -0.384 0.000 3.070 61 V HA 0.297 4.417 4.120 -0.000 0.000 0.345 61 V C 1.730 177.724 176.094 -0.167 0.000 1.403 61 V CA -0.092 62.061 62.300 -0.245 0.000 1.155 61 V CB -0.553 31.102 31.823 -0.281 0.000 1.140 61 V HN 0.617 nan 8.190 nan 0.000 0.505 62 L N -0.136 121.023 121.223 -0.108 0.000 2.079 62 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 62 L C 2.617 179.518 176.870 0.052 0.000 1.081 62 L CA 2.583 57.413 54.840 -0.017 0.000 0.752 62 L CB -0.877 41.226 42.059 0.073 0.000 0.896 62 L HN 0.612 nan 8.230 nan 0.000 0.433 63 H N -0.022 119.019 119.070 -0.049 0.000 2.321 63 H HA -0.163 4.392 4.556 -0.000 0.000 0.300 63 H C 2.257 177.552 175.328 -0.053 0.000 1.087 63 H CA 1.065 57.090 56.048 -0.037 0.000 1.319 63 H CB 0.339 30.086 29.762 -0.024 0.000 1.379 63 H HN 0.346 nan 8.280 nan 0.000 0.501 64 A N 0.475 123.233 122.820 -0.104 0.000 1.877 64 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 64 A C 2.662 180.175 177.584 -0.118 0.000 1.186 64 A CA 1.587 53.516 52.037 -0.180 0.000 0.620 64 A CB -0.886 18.010 19.000 -0.173 0.000 0.822 64 A HN 0.327 nan 8.150 nan 0.000 0.443 65 V N 0.118 119.968 119.914 -0.108 0.000 2.295 65 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 65 V C 2.542 178.581 176.094 -0.091 0.000 1.049 65 V CA 2.419 64.639 62.300 -0.132 0.000 1.024 65 V CB -0.634 31.093 31.823 -0.159 0.000 0.648 65 V HN 0.682 nan 8.190 nan 0.000 0.447 66 K N 0.052 120.440 120.400 -0.020 0.000 2.147 66 K HA -0.198 4.122 4.320 -0.000 0.000 0.205 66 K C 2.021 178.639 176.600 0.030 0.000 1.049 66 K CA 1.520 57.819 56.287 0.020 0.000 0.936 66 K CB -0.139 32.404 32.500 0.072 0.000 0.722 66 K HN 0.431 nan 8.250 nan 0.000 0.446 67 N N 0.372 119.088 118.700 0.027 0.000 2.104 67 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 67 N C 1.756 177.261 175.510 -0.008 0.000 1.024 67 N CA 1.316 54.371 53.050 0.008 0.000 0.853 67 N CB -0.367 38.084 38.487 -0.060 0.000 1.008 67 N HN 0.005 nan 8.380 nan 0.000 0.424 68 V N 2.030 121.917 119.914 -0.046 0.000 2.270 68 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 68 V C 1.926 178.003 176.094 -0.027 0.000 1.043 68 V CA 1.423 63.693 62.300 -0.050 0.000 1.014 68 V CB -0.513 31.247 31.823 -0.105 0.000 0.645 68 V HN 0.303 nan 8.190 nan 0.000 0.447 69 N N 0.477 119.148 118.700 -0.049 0.000 2.120 69 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 69 N C 1.396 176.930 175.510 0.039 0.000 1.024 69 N CA 1.759 54.804 53.050 -0.008 0.000 0.852 69 N CB -0.296 38.174 38.487 -0.028 0.000 1.003 69 N HN 0.504 nan 8.380 nan 0.000 0.424 70 D N -0.967 119.455 120.400 0.038 0.000 2.392 70 D HA 0.107 4.747 4.640 -0.000 0.000 0.206 70 D C 1.736 178.072 176.300 0.061 0.000 1.046 70 D CA 0.189 54.220 54.000 0.052 0.000 0.865 70 D CB 0.595 41.424 40.800 0.048 0.000 0.969 70 D HN 0.036 nan 8.370 nan 0.000 0.509 71 V N 0.052 120.003 119.914 0.062 0.000 2.840 71 V HA 0.114 4.234 4.120 -0.000 0.000 0.234 71 V C 2.258 178.419 176.094 0.112 0.000 1.159 71 V CA 0.080 62.424 62.300 0.073 0.000 1.194 71 V CB 0.024 31.881 31.823 0.056 0.000 0.971 71 V HN 0.006 nan 8.190 nan 0.000 0.494 72 I N 1.177 121.813 120.570 0.110 0.000 2.142 72 I HA -0.199 3.971 4.170 -0.000 0.000 0.240 72 I C 2.818 179.073 176.117 0.229 0.000 1.078 72 I CA 1.591 63.008 61.300 0.195 0.000 1.343 72 I CB -0.655 37.426 38.000 0.135 0.000 1.046 72 I HN 0.314 nan 8.210 nan 0.000 0.405 73 A N 1.769 124.663 122.820 0.124 0.000 1.870 73 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 73 A C 0.139 177.817 177.584 0.157 0.000 1.224 73 A CA 2.652 54.757 52.037 0.113 0.000 0.650 73 A CB -2.338 16.705 19.000 0.071 0.000 0.836 73 A HN 0.300 nan 8.150 nan 0.000 0.454 74 P HA -0.145 nan 4.420 nan 0.000 0.215 74 P C 1.708 179.098 177.300 0.150 0.000 1.157 74 P CA 2.224 65.397 63.100 0.121 0.000 0.868 74 P CB -0.336 31.422 31.700 0.096 0.000 0.788 75 A N -1.022 121.923 122.820 0.207 0.000 1.908 75 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 75 A C 2.203 179.927 177.584 0.233 0.000 1.181 75 A CA 1.526 53.732 52.037 0.282 0.000 0.627 75 A CB -1.848 17.394 19.000 0.404 0.000 0.818 75 A HN 0.107 nan 8.150 nan 0.000 0.445 76 F N 0.498 120.482 119.950 0.056 0.000 2.102 76 F HA -0.146 4.382 4.527 0.000 0.000 0.298 76 F C 2.367 178.038 175.800 -0.215 0.000 1.105 76 F CA 1.888 59.718 58.000 -0.283 0.000 1.239 76 F CB -0.316 38.603 39.000 -0.135 0.000 0.991 76 F HN 0.033 nan 8.300 nan 0.000 0.474 77 V N 0.558 120.597 119.914 0.209 0.000 2.343 77 V HA -0.321 3.798 4.120 -0.000 0.000 0.247 77 V C 2.438 178.542 176.094 0.017 0.000 1.051 77 V CA 2.236 64.609 62.300 0.122 0.000 1.036 77 V CB -0.767 31.123 31.823 0.111 0.000 0.654 77 V HN 0.310 nan 8.190 nan 0.000 0.451 78 K N 0.565 120.977 120.400 0.020 0.000 2.103 78 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 78 K C 2.079 178.647 176.600 -0.052 0.000 1.048 78 K CA 1.625 57.913 56.287 0.001 0.000 0.930 78 K CB -0.338 32.183 32.500 0.036 0.000 0.716 78 K HN 0.433 nan 8.250 nan 0.000 0.444 79 A N 1.246 123.979 122.820 -0.144 0.000 2.019 79 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 79 A C 0.753 178.201 177.584 -0.227 0.000 1.164 79 A CA 1.326 53.226 52.037 -0.228 0.000 0.644 79 A CB -0.718 17.950 19.000 -0.553 0.000 0.805 79 A HN 0.780 nan 8.150 nan 0.000 0.449 80 N N -1.044 117.531 118.700 -0.208 0.000 2.727 80 N HA -0.144 4.595 4.740 -0.000 0.000 0.251 80 N C -0.744 174.653 175.510 -0.188 0.000 1.040 80 N CA 0.054 53.019 53.050 -0.143 0.000 0.712 80 N CB -1.017 37.423 38.487 -0.079 0.000 0.912 80 N HN 0.527 nan 8.380 nan 0.000 0.545 81 I N 0.476 120.856 120.570 -0.317 0.000 2.696 81 I HA -0.004 4.166 4.170 -0.000 0.000 0.284 81 I C 0.807 176.840 176.117 -0.140 0.000 1.129 81 I CA -0.173 60.934 61.300 -0.322 0.000 1.410 81 I CB 0.549 38.140 38.000 -0.683 0.000 1.399 81 I HN 0.207 nan 8.210 nan 0.000 0.579 82 D N 4.921 125.263 120.400 -0.096 0.000 2.393 82 D HA 0.103 4.743 4.640 -0.000 0.000 0.232 82 D C 1.040 177.334 176.300 -0.010 0.000 1.192 82 D CA -0.471 53.505 54.000 -0.041 0.000 0.882 82 D CB 1.199 41.981 40.800 -0.030 0.000 1.038 82 D HN 0.363 nan 8.370 nan 0.000 0.499 83 V N 2.698 122.618 119.914 0.009 0.000 2.546 83 V HA -0.239 3.881 4.120 -0.000 0.000 0.254 83 V C 1.774 177.893 176.094 0.040 0.000 1.076 83 V CA 1.291 63.613 62.300 0.037 0.000 1.087 83 V CB -0.725 31.099 31.823 0.001 0.000 0.674 83 V HN 0.423 nan 8.190 nan 0.000 0.470 84 K N 0.477 120.887 120.400 0.017 0.000 2.362 84 K HA -0.045 4.275 4.320 -0.000 0.000 0.200 84 K C 0.852 177.518 176.600 0.109 0.000 1.046 84 K CA 0.972 57.299 56.287 0.068 0.000 0.952 84 K CB -0.201 32.316 32.500 0.029 0.000 0.753 84 K HN 0.487 nan 8.250 nan 0.000 0.466 85 D N 1.371 121.807 120.400 0.060 0.000 2.522 85 D HA -0.009 4.631 4.640 -0.000 0.000 0.218 85 D C 0.874 177.210 176.300 0.060 0.000 1.149 85 D CA 0.046 54.075 54.000 0.048 0.000 0.981 85 D CB 1.050 41.860 40.800 0.017 0.000 1.041 85 D HN -0.059 nan 8.370 nan 0.000 0.518 86 Q N 3.113 122.959 119.800 0.077 0.000 2.096 86 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 86 Q C 1.461 177.500 176.000 0.065 0.000 0.982 86 Q CA 1.731 57.583 55.803 0.081 0.000 0.850 86 Q CB 0.200 28.979 28.738 0.069 0.000 0.901 86 Q HN 0.352 nan 8.270 nan 0.000 0.422 87 K N -0.590 119.836 120.400 0.043 0.000 2.063 87 K HA -0.114 4.205 4.320 -0.000 0.000 0.208 87 K C 2.038 178.666 176.600 0.047 0.000 1.048 87 K CA 1.202 57.511 56.287 0.037 0.000 0.928 87 K CB -0.289 32.224 32.500 0.022 0.000 0.713 87 K HN 0.286 nan 8.250 nan 0.000 0.442 88 A N 1.002 123.846 122.820 0.040 0.000 1.930 88 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 88 A C 2.380 180.002 177.584 0.062 0.000 1.175 88 A CA 1.234 53.292 52.037 0.035 0.000 0.627 88 A CB -0.586 18.413 19.000 -0.001 0.000 0.815 88 A HN 0.064 nan 8.150 nan 0.000 0.443 89 V N 0.658 120.617 119.914 0.075 0.000 2.295 89 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 89 V C 2.199 178.429 176.094 0.228 0.000 1.049 89 V CA 2.389 64.779 62.300 0.150 0.000 1.024 89 V CB -0.719 31.225 31.823 0.203 0.000 0.648 89 V HN 0.512 nan 8.190 nan 0.000 0.447 90 D N -0.262 120.229 120.400 0.151 0.000 2.117 90 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 90 D C 1.915 178.278 176.300 0.105 0.000 0.982 90 D CA 1.243 55.316 54.000 0.123 0.000 0.828 90 D CB -0.323 40.521 40.800 0.074 0.000 0.967 90 D HN 0.408 nan 8.370 nan 0.000 0.464 91 D N -0.080 120.375 120.400 0.091 0.000 2.144 91 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 91 D C 1.808 178.143 176.300 0.058 0.000 0.984 91 D CA 0.313 54.346 54.000 0.056 0.000 0.834 91 D CB -0.422 40.404 40.800 0.043 0.000 0.955 91 D HN 0.197 nan 8.370 nan 0.000 0.465 92 F N 1.191 121.132 119.950 -0.016 0.000 2.102 92 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 92 F C 2.104 177.916 175.800 0.020 0.000 1.105 92 F CA 1.166 59.148 58.000 -0.029 0.000 1.239 92 F CB -0.229 38.703 39.000 -0.113 0.000 0.991 92 F HN -0.117 nan 8.300 nan 0.000 0.474 93 L N -0.153 121.190 121.223 0.199 0.000 2.027 93 L HA -0.225 4.115 4.340 -0.000 0.000 0.206 93 L C 2.503 179.358 176.870 -0.025 0.000 1.074 93 L CA 1.486 56.408 54.840 0.137 0.000 0.745 93 L CB -0.696 41.492 42.059 0.215 0.000 0.898 93 L HN 0.175 nan 8.230 nan 0.000 0.433 94 I N -0.772 119.790 120.570 -0.013 0.000 2.127 94 I HA -0.368 3.802 4.170 -0.000 0.000 0.241 94 I C 2.874 178.940 176.117 -0.085 0.000 1.075 94 I CA 1.707 62.983 61.300 -0.039 0.000 1.334 94 I CB -0.311 37.677 38.000 -0.020 0.000 1.040 94 I HN 0.253 nan 8.210 nan 0.000 0.405 95 S N 0.764 116.389 115.700 -0.125 0.000 2.382 95 S HA -0.195 4.275 4.470 -0.000 0.000 0.228 95 S C 2.040 176.519 174.600 -0.201 0.000 1.027 95 S CA 1.274 59.380 58.200 -0.156 0.000 0.991 95 S CB -0.364 62.739 63.200 -0.161 0.000 0.823 95 S HN 0.325 nan 8.310 nan 0.000 0.469 96 L N 1.907 122.949 121.223 -0.302 0.000 2.083 96 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 96 L C 1.964 178.754 176.870 -0.134 0.000 1.083 96 L CA 2.604 57.279 54.840 -0.274 0.000 0.752 96 L CB -1.029 40.815 42.059 -0.358 0.000 0.899 96 L HN 0.475 nan 8.230 nan 0.000 0.433 97 D N -1.149 119.190 120.400 -0.102 0.000 2.103 97 D HA -0.019 4.621 4.640 -0.000 0.000 0.199 97 D C 1.710 177.976 176.300 -0.057 0.000 0.978 97 D CA 1.410 55.371 54.000 -0.064 0.000 0.829 97 D CB -0.101 40.668 40.800 -0.051 0.000 0.981 97 D HN 0.446 nan 8.370 nan 0.000 0.464 98 G N 0.049 108.811 108.800 -0.063 0.000 2.175 98 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.265 98 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.265 98 G C 0.475 175.353 174.900 -0.036 0.000 0.979 98 G CA 1.203 46.272 45.100 -0.052 0.000 0.663 98 G HN 0.769 nan 8.290 nan 0.000 0.533 99 T N -3.800 110.735 114.554 -0.033 0.000 2.912 99 T HA 0.815 5.165 4.350 -0.000 0.000 0.288 99 T C 1.390 176.078 174.700 -0.021 0.000 1.030 99 T CA 0.287 62.373 62.100 -0.024 0.000 1.020 99 T CB 1.979 70.835 68.868 -0.020 0.000 1.056 99 T HN 1.292 nan 8.240 nan 0.000 0.480 100 A N 2.234 125.046 122.820 -0.015 0.000 1.972 100 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 100 A C 1.831 179.410 177.584 -0.008 0.000 1.169 100 A CA 1.520 53.551 52.037 -0.011 0.000 0.635 100 A CB -0.748 18.249 19.000 -0.005 0.000 0.810 100 A HN 0.954 nan 8.150 nan 0.000 0.446 101 N N -1.674 117.021 118.700 -0.008 0.000 2.234 101 N HA 0.083 4.823 4.740 -0.000 0.000 0.227 101 N C -0.230 175.269 175.510 -0.020 0.000 1.151 101 N CA 0.238 53.284 53.050 -0.007 0.000 0.865 101 N CB -0.127 38.360 38.487 0.001 0.000 1.066 101 N HN 0.385 nan 8.380 nan 0.000 0.515 102 K N -0.101 120.283 120.400 -0.025 0.000 3.071 102 K HA -0.169 4.150 4.320 -0.000 0.000 0.265 102 K C 0.388 176.961 176.600 -0.045 0.000 1.060 102 K CA 0.826 57.092 56.287 -0.036 0.000 0.767 102 K CB -1.914 30.564 32.500 -0.037 0.000 1.241 102 K HN 0.552 nan 8.250 nan 0.000 0.486 103 S N -0.877 114.802 115.700 -0.036 0.000 2.558 103 S HA -0.032 4.438 4.470 -0.000 0.000 0.217 103 S C 1.590 176.165 174.600 -0.042 0.000 0.975 103 S CA 0.581 58.758 58.200 -0.039 0.000 0.912 103 S CB 0.380 63.568 63.200 -0.021 0.000 0.776 103 S HN 0.462 nan 8.310 nan 0.000 0.526 104 K N 1.268 121.645 120.400 -0.039 0.000 2.021 104 K HA 0.218 4.538 4.320 -0.000 0.000 0.205 104 K C 1.875 178.439 176.600 -0.060 0.000 1.047 104 K CA 0.969 57.238 56.287 -0.029 0.000 0.943 104 K CB -0.177 32.309 32.500 -0.023 0.000 0.725 104 K HN 0.363 nan 8.250 nan 0.000 0.439 105 L N -0.383 120.794 121.223 -0.075 0.000 2.202 105 L HA 0.223 4.563 4.340 -0.000 0.000 0.205 105 L C 0.560 177.334 176.870 -0.160 0.000 1.083 105 L CA 0.331 55.110 54.840 -0.101 0.000 0.790 105 L CB 0.090 42.112 42.059 -0.061 0.000 0.942 105 L HN 0.531 nan 8.230 nan 0.000 0.452 106 G N -0.959 107.763 108.800 -0.130 0.000 2.911 106 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.686 106 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.686 106 G C 0.394 175.236 174.900 -0.096 0.000 1.136 106 G CA -0.355 44.666 45.100 -0.131 0.000 0.764 106 G HN 0.164 nan 8.290 nan 0.000 0.626 107 A N 1.723 124.495 122.820 -0.079 0.000 2.019 107 A HA -0.036 4.283 4.320 -0.000 0.000 0.219 107 A C 2.242 179.780 177.584 -0.077 0.000 1.164 107 A CA 2.185 54.183 52.037 -0.066 0.000 0.644 107 A CB -0.385 18.583 19.000 -0.053 0.000 0.805 107 A HN 1.563 nan 8.150 nan 0.000 0.449 108 N N 0.623 119.268 118.700 -0.093 0.000 2.457 108 N HA 0.077 4.816 4.740 -0.000 0.000 0.180 108 N C 1.391 176.834 175.510 -0.111 0.000 1.050 108 N CA 1.415 54.403 53.050 -0.103 0.000 0.906 108 N CB -0.545 37.874 38.487 -0.113 0.000 0.968 108 N HN 0.361 nan 8.380 nan 0.000 0.445 109 A N 1.191 123.944 122.820 -0.111 0.000 1.878 109 A HA 0.227 4.546 4.320 -0.000 0.000 0.213 109 A C 2.311 179.846 177.584 -0.082 0.000 1.192 109 A CA 0.341 52.314 52.037 -0.106 0.000 0.619 109 A CB -0.503 18.431 19.000 -0.110 0.000 0.837 109 A HN 0.181 nan 8.150 nan 0.000 0.446 110 I N -0.516 120.015 120.570 -0.065 0.000 2.179 110 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 110 I C 2.442 178.527 176.117 -0.053 0.000 1.088 110 I CA 1.267 62.544 61.300 -0.038 0.000 1.357 110 I CB -0.278 37.709 38.000 -0.023 0.000 1.051 110 I HN 0.382 nan 8.210 nan 0.000 0.409 111 L N 1.255 122.435 121.223 -0.073 0.000 2.012 111 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 111 L C 2.371 179.167 176.870 -0.125 0.000 1.073 111 L CA 2.339 57.120 54.840 -0.097 0.000 0.748 111 L CB -1.261 40.735 42.059 -0.106 0.000 0.891 111 L HN 0.228 nan 8.230 nan 0.000 0.431 112 G N -1.153 107.576 108.800 -0.118 0.000 2.469 112 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.219 112 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.219 112 G C 1.497 176.325 174.900 -0.120 0.000 1.150 112 G CA 1.258 46.285 45.100 -0.121 0.000 0.763 112 G HN 0.373 nan 8.290 nan 0.000 0.561 113 V N 0.710 120.551 119.914 -0.123 0.000 2.358 113 V HA -0.166 3.953 4.120 -0.000 0.000 0.246 113 V C 2.971 178.996 176.094 -0.113 0.000 1.047 113 V CA 2.103 64.306 62.300 -0.162 0.000 1.035 113 V CB -0.537 31.162 31.823 -0.208 0.000 0.658 113 V HN 0.489 nan 8.190 nan 0.000 0.452 114 S N 0.078 115.739 115.700 -0.066 0.000 2.353 114 S HA -0.182 4.288 4.470 -0.000 0.000 0.222 114 S C 1.947 176.504 174.600 -0.072 0.000 1.035 114 S CA 1.965 60.146 58.200 -0.031 0.000 1.025 114 S CB -0.351 62.832 63.200 -0.028 0.000 0.902 114 S HN 0.520 nan 8.310 nan 0.000 0.440 115 L N 1.066 122.183 121.223 -0.177 0.000 2.056 115 L HA -0.007 4.333 4.340 -0.000 0.000 0.207 115 L C 3.020 179.849 176.870 -0.069 0.000 1.078 115 L CA 1.187 55.861 54.840 -0.276 0.000 0.749 115 L CB -0.823 40.902 42.059 -0.555 0.000 0.901 115 L HN 0.413 nan 8.230 nan 0.000 0.433 116 A N 0.307 123.093 122.820 -0.056 0.000 1.940 116 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 116 A C 2.554 180.138 177.584 0.000 0.000 1.176 116 A CA 1.760 53.806 52.037 0.015 0.000 0.631 116 A CB -0.665 18.335 19.000 0.001 0.000 0.814 116 A HN 0.410 nan 8.150 nan 0.000 0.446 117 A N 0.359 123.164 122.820 -0.025 0.000 1.933 117 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 117 A C 2.515 180.100 177.584 0.002 0.000 1.175 117 A CA 2.350 54.382 52.037 -0.009 0.000 0.628 117 A CB -0.958 18.082 19.000 0.066 0.000 0.814 117 A HN 1.047 nan 8.150 nan 0.000 0.444 118 S N -0.302 115.448 115.700 0.083 0.000 2.402 118 S HA -0.138 4.332 4.470 -0.000 0.000 0.229 118 S C 1.975 176.623 174.600 0.081 0.000 1.021 118 S CA 1.065 59.380 58.200 0.191 0.000 0.974 118 S CB -0.417 62.986 63.200 0.337 0.000 0.800 118 S HN 0.619 nan 8.310 nan 0.000 0.484 119 R N 1.237 121.762 120.500 0.041 0.000 2.090 119 R HA 0.169 4.509 4.340 -0.000 0.000 0.228 119 R C 2.782 178.783 176.300 -0.497 0.000 1.110 119 R CA 1.106 57.179 56.100 -0.044 0.000 0.973 119 R CB -0.741 29.647 30.300 0.147 0.000 0.869 119 R HN 0.565 nan 8.270 nan 0.000 0.440 120 A N 1.473 123.867 122.820 -0.710 0.000 1.902 120 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 120 A C 2.378 179.538 177.584 -0.707 0.000 1.181 120 A CA 1.746 53.043 52.037 -1.233 0.000 0.623 120 A CB -0.580 18.024 19.000 -0.660 0.000 0.818 120 A HN 0.387 nan 8.150 nan 0.000 0.443 121 A N -0.162 122.389 122.820 -0.448 0.000 1.902 121 A HA 0.171 4.491 4.320 -0.000 0.000 0.217 121 A C 2.516 179.742 177.584 -0.597 0.000 1.181 121 A CA 2.072 53.840 52.037 -0.448 0.000 0.623 121 A CB -1.038 17.749 19.000 -0.355 0.000 0.818 121 A HN 1.069 nan 8.150 nan 0.000 0.443 122 A N -0.109 122.337 122.820 -0.623 0.000 1.902 122 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 122 A C 2.503 179.926 177.584 -0.268 0.000 1.181 122 A CA 2.186 53.954 52.037 -0.448 0.000 0.623 122 A CB -1.006 17.854 19.000 -0.233 0.000 0.818 122 A HN 1.054 nan 8.150 nan 0.000 0.443 123 A N -0.336 122.322 122.820 -0.270 0.000 1.902 123 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 123 A C 2.030 179.549 177.584 -0.108 0.000 1.181 123 A CA 1.802 53.770 52.037 -0.115 0.000 0.623 123 A CB -0.578 18.413 19.000 -0.015 0.000 0.818 123 A HN 0.689 nan 8.150 nan 0.000 0.443 124 E N -0.035 120.055 120.200 -0.184 0.000 2.118 124 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 124 E C 1.663 178.203 176.600 -0.100 0.000 0.992 124 E CA 1.523 57.851 56.400 -0.120 0.000 0.804 124 E CB -0.099 29.517 29.700 -0.140 0.000 0.741 124 E HN 0.601 nan 8.360 nan 0.000 0.458 125 K N 0.244 120.559 120.400 -0.141 0.000 2.426 125 K HA 0.026 4.346 4.320 -0.000 0.000 0.193 125 K C 0.205 176.761 176.600 -0.072 0.000 1.028 125 K CA 0.439 56.665 56.287 -0.101 0.000 1.047 125 K CB -0.060 32.367 32.500 -0.122 0.000 0.821 125 K HN 0.212 nan 8.250 nan 0.000 0.513 126 N N 0.670 119.326 118.700 -0.073 0.000 2.738 126 N HA -0.167 4.573 4.740 -0.000 0.000 0.249 126 N C -1.107 174.369 175.510 -0.057 0.000 1.047 126 N CA 0.244 53.266 53.050 -0.047 0.000 0.707 126 N CB -0.806 37.666 38.487 -0.024 0.000 0.937 126 N HN 0.055 nan 8.380 nan 0.000 0.545 127 V N -2.700 117.161 119.914 -0.088 0.000 3.078 127 V HA 0.806 4.926 4.120 -0.000 0.000 0.311 127 V C -2.495 173.499 176.094 -0.166 0.000 1.138 127 V CA -1.760 60.474 62.300 -0.110 0.000 1.007 127 V CB 1.696 33.465 31.823 -0.089 0.000 1.045 127 V HN -0.079 nan 8.190 nan 0.000 0.432 128 P HA 0.254 nan 4.420 nan 0.000 0.272 128 P C 0.714 177.763 177.300 -0.418 0.000 1.223 128 P CA -0.301 62.558 63.100 -0.403 0.000 0.784 128 P CB 0.860 32.099 31.700 -0.768 0.000 0.923 129 L N 3.776 124.850 121.223 -0.247 0.000 1.997 129 L HA -0.255 4.085 4.340 -0.000 0.000 0.216 129 L C 2.352 179.139 176.870 -0.139 0.000 1.074 129 L CA 2.112 56.879 54.840 -0.123 0.000 0.763 129 L CB -1.875 40.144 42.059 -0.066 0.000 0.890 129 L HN 0.505 nan 8.230 nan 0.000 0.434 130 Y N -0.650 119.608 120.300 -0.070 0.000 2.315 130 Y HA -0.230 4.319 4.550 -0.001 0.000 0.288 130 Y C 2.402 178.333 175.900 0.052 0.000 1.154 130 Y CA 1.615 59.677 58.100 -0.063 0.000 1.229 130 Y CB -1.124 37.257 38.460 -0.132 0.000 0.980 130 Y HN 0.273 nan 8.280 nan 0.000 0.540 131 K N 0.114 120.319 120.400 -0.326 0.000 2.062 131 K HA -0.189 4.131 4.320 -0.000 0.000 0.205 131 K C 2.066 178.711 176.600 0.076 0.000 1.051 131 K CA 1.721 58.014 56.287 0.010 0.000 0.941 131 K CB -0.779 31.667 32.500 -0.088 0.000 0.719 131 K HN 0.490 nan 8.250 nan 0.000 0.440 132 H N 0.378 119.396 119.070 -0.086 0.000 2.387 132 H HA 0.030 4.586 4.556 -0.000 0.000 0.299 132 H C 1.593 176.925 175.328 0.007 0.000 1.090 132 H CA 2.053 58.079 56.048 -0.037 0.000 1.332 132 H CB -0.148 29.581 29.762 -0.054 0.000 1.386 132 H HN 0.200 nan 8.280 nan 0.000 0.516 133 L N -0.503 120.704 121.223 -0.026 0.000 2.083 133 L HA -0.133 4.206 4.340 -0.000 0.000 0.209 133 L C 2.813 179.667 176.870 -0.027 0.000 1.083 133 L CA 1.006 55.804 54.840 -0.070 0.000 0.752 133 L CB -0.694 41.349 42.059 -0.027 0.000 0.899 133 L HN 0.399 nan 8.230 nan 0.000 0.433 134 A N -0.022 122.832 122.820 0.055 0.000 1.902 134 A HA -0.219 4.100 4.320 -0.000 0.000 0.217 134 A C 1.927 179.509 177.584 -0.004 0.000 1.181 134 A CA 1.903 53.977 52.037 0.061 0.000 0.623 134 A CB -0.483 18.599 19.000 0.135 0.000 0.818 134 A HN 0.344 nan 8.150 nan 0.000 0.443 135 D N 0.263 120.652 120.400 -0.019 0.000 2.104 135 D HA -0.132 4.508 4.640 -0.000 0.000 0.194 135 D C 1.917 178.168 176.300 -0.083 0.000 0.994 135 D CA 1.076 55.053 54.000 -0.039 0.000 0.830 135 D CB -0.442 40.358 40.800 -0.000 0.000 0.959 135 D HN 0.436 nan 8.370 nan 0.000 0.452 136 L N 0.829 121.942 121.223 -0.183 0.000 2.191 136 L HA -0.136 4.203 4.340 -0.000 0.000 0.212 136 L C 2.153 178.984 176.870 -0.064 0.000 1.103 136 L CA 1.320 56.065 54.840 -0.159 0.000 0.769 136 L CB -0.366 41.556 42.059 -0.228 0.000 0.908 136 L HN 0.088 nan 8.230 nan 0.000 0.438 137 S N -1.748 113.928 115.700 -0.039 0.000 2.540 137 S HA 0.066 4.536 4.470 -0.000 0.000 0.218 137 S C 0.783 175.387 174.600 0.006 0.000 0.977 137 S CA -0.398 57.804 58.200 0.005 0.000 0.918 137 S CB 0.100 63.325 63.200 0.041 0.000 0.806 137 S HN 0.311 nan 8.310 nan 0.000 0.496 138 K N 1.083 121.474 120.400 -0.014 0.000 3.071 138 K HA -0.119 4.200 4.320 -0.000 0.000 0.265 138 K C -0.601 175.982 176.600 -0.028 0.000 1.060 138 K CA 0.639 56.915 56.287 -0.019 0.000 0.767 138 K CB -2.349 30.143 32.500 -0.014 0.000 1.241 138 K HN 0.443 nan 8.250 nan 0.000 0.486 139 S N 0.585 116.266 115.700 -0.032 0.000 2.616 139 S HA 0.247 4.717 4.470 -0.000 0.000 0.277 139 S C 0.191 174.729 174.600 -0.102 0.000 1.234 139 S CA -0.986 57.179 58.200 -0.058 0.000 1.028 139 S CB 1.623 64.805 63.200 -0.030 0.000 0.988 139 S HN 0.301 nan 8.310 nan 0.000 0.522 140 K N 0.753 121.072 120.400 -0.135 0.000 2.298 140 K HA 0.202 4.522 4.320 -0.000 0.000 0.280 140 K C 0.398 176.819 176.600 -0.299 0.000 1.032 140 K CA -0.039 56.144 56.287 -0.172 0.000 0.958 140 K CB 0.355 32.768 32.500 -0.145 0.000 0.978 140 K HN 0.745 nan 8.250 nan 0.000 0.472 141 T N -0.914 113.405 114.554 -0.392 0.000 3.288 141 T HA 0.131 4.481 4.350 -0.000 0.000 0.293 141 T C -0.521 173.866 174.700 -0.521 0.000 1.008 141 T CA -0.434 61.156 62.100 -0.850 0.000 0.929 141 T CB -0.164 68.099 68.868 -1.008 0.000 1.152 141 T HN 0.394 nan 8.240 nan 0.000 0.517 142 S N 1.543 117.091 115.700 -0.254 0.000 2.279 142 S HA 0.612 5.082 4.470 -0.000 0.000 0.176 142 S C -3.049 171.507 174.600 -0.073 0.000 1.554 142 S CA -0.974 57.157 58.200 -0.115 0.000 1.242 142 S CB 1.224 64.379 63.200 -0.076 0.000 1.163 142 S HN 0.299 nan 8.310 nan 0.000 0.449 143 P HA 0.535 nan 4.420 nan 0.000 0.288 143 P C -0.925 176.337 177.300 -0.063 0.000 1.297 143 P CA -0.832 62.253 63.100 -0.024 0.000 0.864 143 P CB 0.784 32.514 31.700 0.049 0.000 1.237 144 Y N -1.111 119.187 120.300 -0.003 0.000 2.357 144 Y HA 0.293 4.843 4.550 -0.000 0.000 0.340 144 Y C 0.725 176.615 175.900 -0.017 0.000 1.260 144 Y CA 0.254 58.344 58.100 -0.017 0.000 1.425 144 Y CB 0.591 39.023 38.460 -0.046 0.000 1.326 144 Y HN -0.074 nan 8.280 nan 0.000 0.580 145 V N 4.143 124.147 119.914 0.151 0.000 2.487 145 V HA 0.309 4.429 4.120 -0.000 0.000 0.298 145 V C -0.402 175.745 176.094 0.089 0.000 1.028 145 V CA -1.012 61.342 62.300 0.090 0.000 0.860 145 V CB 1.353 33.198 31.823 0.036 0.000 0.991 145 V HN 0.509 nan 8.190 nan 0.000 0.427 146 L N 7.748 129.044 121.223 0.122 0.000 2.334 146 L HA 0.507 4.846 4.340 -0.000 0.000 0.277 146 L C -2.112 174.882 176.870 0.208 0.000 1.075 146 L CA -1.606 53.320 54.840 0.144 0.000 0.804 146 L CB 1.823 44.025 42.059 0.239 0.000 1.174 146 L HN 0.425 nan 8.230 nan 0.000 0.438 147 P HA 0.133 nan 4.420 nan 0.000 0.279 147 P C -0.699 176.852 177.300 0.419 0.000 1.252 147 P CA -0.414 62.824 63.100 0.230 0.000 0.811 147 P CB 1.263 33.086 31.700 0.204 0.000 1.035 148 V N 4.019 124.071 119.914 0.230 0.000 2.508 148 V HA 0.174 4.294 4.120 -0.000 0.000 0.281 148 V C -1.764 174.515 176.094 0.308 0.000 1.041 148 V CA -1.270 61.174 62.300 0.240 0.000 1.016 148 V CB 0.480 32.313 31.823 0.016 0.000 0.984 148 V HN 0.591 nan 8.190 nan 0.000 0.478 149 P HA 0.301 nan 4.420 nan 0.000 0.293 149 P C -0.992 176.337 177.300 0.048 0.000 1.300 149 P CA -0.394 62.831 63.100 0.207 0.000 0.792 149 P CB 0.555 32.334 31.700 0.131 0.000 0.925 150 F N 3.519 123.447 119.950 -0.038 0.000 2.335 150 F HA 0.290 4.817 4.527 -0.001 0.000 0.365 150 F C 0.635 176.404 175.800 -0.051 0.000 1.122 150 F CA -0.316 57.642 58.000 -0.069 0.000 1.151 150 F CB 0.430 39.380 39.000 -0.082 0.000 1.282 150 F HN 0.058 nan 8.300 nan 0.000 0.513 151 L N 3.963 125.198 121.223 0.019 0.000 2.261 151 L HA 0.243 4.583 4.340 -0.000 0.000 0.289 151 L C 0.784 177.694 176.870 0.066 0.000 1.059 151 L CA -0.184 54.665 54.840 0.015 0.000 0.816 151 L CB 0.461 42.490 42.059 -0.050 0.000 1.191 151 L HN 0.539 nan 8.230 nan 0.000 0.431 152 N N 2.913 121.674 118.700 0.102 0.000 2.744 152 N HA 0.030 4.770 4.740 -0.000 0.000 0.290 152 N C 1.166 176.773 175.510 0.162 0.000 1.206 152 N CA -0.396 52.748 53.050 0.157 0.000 1.119 152 N CB 0.666 39.276 38.487 0.205 0.000 1.449 152 N HN 0.646 nan 8.380 nan 0.000 0.514 153 V N 1.256 121.275 119.914 0.176 0.000 3.041 153 V HA 0.151 4.271 4.120 -0.000 0.000 0.260 153 V C 0.623 176.857 176.094 0.233 0.000 1.105 153 V CA 0.722 63.176 62.300 0.257 0.000 1.125 153 V CB -0.335 31.654 31.823 0.277 0.000 0.730 153 V HN 0.429 nan 8.190 nan 0.000 0.479 154 L N 1.958 123.299 121.223 0.197 0.000 2.404 154 L HA 0.644 4.984 4.340 -0.000 0.000 0.272 154 L C -1.246 175.749 176.870 0.208 0.000 0.980 154 L CA -0.324 54.591 54.840 0.126 0.000 0.836 154 L CB 1.635 43.679 42.059 -0.026 0.000 1.238 154 L HN 0.178 nan 8.230 nan 0.000 0.408 155 N N 2.762 121.561 118.700 0.165 0.000 2.456 155 N HA 0.812 5.551 4.740 -0.000 0.000 0.296 155 N C -0.080 175.531 175.510 0.169 0.000 1.102 155 N CA -0.244 52.932 53.050 0.211 0.000 0.924 155 N CB 2.196 40.805 38.487 0.203 0.000 1.186 155 N HN 0.755 nan 8.380 nan 0.000 0.492 156 G N -1.458 107.461 108.800 0.198 0.000 3.003 156 G HA2 0.599 4.559 3.960 -0.000 0.000 0.243 156 G HA3 0.599 4.559 3.960 -0.000 0.000 0.243 156 G C 0.222 175.199 174.900 0.128 0.000 1.176 156 G CA 0.110 45.299 45.100 0.148 0.000 0.812 156 G HN 0.736 nan 8.290 nan 0.000 0.584 157 G N -0.197 108.697 108.800 0.156 0.000 2.627 157 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.312 157 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.312 157 G C 1.362 176.383 174.900 0.201 0.000 1.299 157 G CA 1.093 46.349 45.100 0.260 0.000 0.989 157 G HN 1.535 nan 8.290 nan 0.000 0.547 158 S N 0.225 116.046 115.700 0.201 0.000 2.607 158 S HA 0.090 4.560 4.470 -0.000 0.000 0.224 158 S C 1.422 176.184 174.600 0.270 0.000 0.969 158 S CA 1.231 59.560 58.200 0.214 0.000 0.927 158 S CB -0.262 63.056 63.200 0.196 0.000 0.772 158 S HN 0.582 nan 8.310 nan 0.000 0.533 159 H N 0.077 119.205 119.070 0.097 0.000 2.592 159 H HA 0.501 5.057 4.556 -0.000 0.000 0.265 159 H C 0.511 175.873 175.328 0.057 0.000 0.955 159 H CA -0.004 56.084 56.048 0.067 0.000 1.175 159 H CB 0.500 30.303 29.762 0.068 0.000 1.433 159 H HN 0.310 nan 8.280 nan 0.000 0.537 160 A N 0.724 123.647 122.820 0.171 0.000 2.547 160 A HA 0.514 4.833 4.320 -0.000 0.000 0.297 160 A C -0.030 177.580 177.584 0.042 0.000 1.056 160 A CA -0.358 51.737 52.037 0.096 0.000 0.688 160 A CB 0.964 20.018 19.000 0.090 0.000 1.282 160 A HN 0.226 nan 8.150 nan 0.000 0.400 161 G N 0.171 108.983 108.800 0.020 0.000 2.398 161 G HA2 0.658 4.618 3.960 -0.000 0.000 0.246 161 G HA3 0.658 4.618 3.960 -0.000 0.000 0.246 161 G C 0.474 175.355 174.900 -0.031 0.000 1.289 161 G CA 0.692 45.785 45.100 -0.011 0.000 0.869 161 G HN 2.210 nan 8.290 nan 0.000 0.543 162 G N -0.327 108.436 108.800 -0.062 0.000 2.359 162 G HA2 0.502 4.462 3.960 -0.000 0.000 0.314 162 G HA3 0.502 4.462 3.960 -0.000 0.000 0.314 162 G C 0.527 175.358 174.900 -0.115 0.000 1.364 162 G CA 0.076 45.129 45.100 -0.079 0.000 0.978 162 G HN 1.408 nan 8.290 nan 0.000 0.615 163 A N -0.759 121.992 122.820 -0.116 0.000 2.014 163 A HA 0.439 4.759 4.320 -0.000 0.000 0.218 163 A C 1.515 179.020 177.584 -0.130 0.000 1.163 163 A CA 1.423 53.382 52.037 -0.131 0.000 0.652 163 A CB -0.310 18.627 19.000 -0.105 0.000 0.808 163 A HN 1.702 nan 8.150 nan 0.000 0.449 164 L N 0.436 121.599 121.223 -0.100 0.000 2.628 164 L HA 0.171 4.510 4.340 -0.000 0.000 0.274 164 L C 1.372 178.250 176.870 0.014 0.000 1.209 164 L CA 0.513 55.326 54.840 -0.046 0.000 0.930 164 L CB 0.319 42.349 42.059 -0.049 0.000 1.183 164 L HN 0.277 nan 8.230 nan 0.000 0.492 165 A N 5.965 128.810 122.820 0.042 0.000 1.861 165 A HA 0.131 4.451 4.320 -0.000 0.000 0.212 165 A C 0.970 178.713 177.584 0.265 0.000 1.199 165 A CA 0.331 52.464 52.037 0.160 0.000 0.613 165 A CB -0.476 18.481 19.000 -0.072 0.000 0.846 165 A HN 0.632 nan 8.150 nan 0.000 0.446 166 L N 0.418 121.752 121.223 0.184 0.000 2.514 166 L HA -0.046 4.294 4.340 -0.000 0.000 0.280 166 L C 1.659 178.636 176.870 0.178 0.000 1.223 166 L CA 0.122 55.066 54.840 0.173 0.000 0.864 166 L CB 0.392 42.457 42.059 0.009 0.000 1.118 166 L HN 0.614 nan 8.230 nan 0.000 0.494 167 Q N 1.720 121.547 119.800 0.045 0.000 2.062 167 Q HA -0.014 4.326 4.340 -0.000 0.000 0.196 167 Q C -0.310 175.705 176.000 0.026 0.000 0.967 167 Q CA 1.115 56.904 55.803 -0.025 0.000 0.832 167 Q CB 0.488 29.111 28.738 -0.191 0.000 0.899 167 Q HN 0.674 nan 8.270 nan 0.000 0.442 168 E N -0.824 119.325 120.200 -0.086 0.000 2.314 168 E HA 0.342 4.691 4.350 -0.000 0.000 0.272 168 E C -1.629 174.810 176.600 -0.270 0.000 0.884 168 E CA -0.528 55.875 56.400 0.006 0.000 0.753 168 E CB 1.683 31.405 29.700 0.036 0.000 1.213 168 E HN 0.017 nan 8.360 nan 0.000 0.432 169 F N 2.113 122.085 119.950 0.037 0.000 2.532 169 F HA 0.400 4.927 4.527 -0.000 0.000 0.365 169 F C -0.198 175.625 175.800 0.039 0.000 1.112 169 F CA -0.528 57.481 58.000 0.015 0.000 1.082 169 F CB 0.884 39.876 39.000 -0.014 0.000 1.319 169 F HN 0.201 nan 8.300 nan 0.000 0.457 170 M N 4.742 124.426 119.600 0.140 0.000 2.423 170 M HA 0.619 5.099 4.480 -0.000 0.000 0.335 170 M C -0.270 176.061 176.300 0.051 0.000 1.177 170 M CA -0.761 54.613 55.300 0.123 0.000 1.038 170 M CB 1.961 34.675 32.600 0.189 0.000 1.641 170 M HN 0.451 nan 8.290 nan 0.000 0.455 171 I N -0.186 120.373 120.570 -0.017 0.000 2.562 171 I HA 0.939 5.109 4.170 -0.000 0.000 0.301 171 I C -0.747 175.193 176.117 -0.295 0.000 1.003 171 I CA -0.903 60.332 61.300 -0.109 0.000 1.127 171 I CB 1.895 39.862 38.000 -0.056 0.000 1.304 171 I HN 0.697 nan 8.210 nan 0.000 0.446 172 A N 5.356 127.909 122.820 -0.446 0.000 2.457 172 A HA 0.722 5.042 4.320 -0.000 0.000 0.283 172 A C -2.765 174.568 177.584 -0.418 0.000 1.166 172 A CA -1.398 50.189 52.037 -0.749 0.000 0.740 172 A CB 0.994 19.023 19.000 -1.619 0.000 1.181 172 A HN 0.572 nan 8.150 nan 0.000 0.446 173 P HA 0.153 nan 4.420 nan 0.000 0.231 173 P C 1.111 178.409 177.300 -0.003 0.000 1.811 173 P CA 0.063 63.084 63.100 -0.133 0.000 1.051 173 P CB 0.131 31.734 31.700 -0.162 0.000 1.951 174 T N -2.737 111.789 114.554 -0.046 0.000 3.035 174 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 174 T C 1.881 176.657 174.700 0.126 0.000 1.109 174 T CA 1.107 63.233 62.100 0.043 0.000 1.119 174 T CB -0.594 68.305 68.868 0.053 0.000 0.900 174 T HN 0.250 nan 8.240 nan 0.000 0.503 175 G N 0.817 109.670 108.800 0.088 0.000 2.985 175 G HA2 0.498 4.458 3.960 -0.000 0.000 0.209 175 G HA3 0.498 4.458 3.960 -0.000 0.000 0.209 175 G C 0.593 175.553 174.900 0.100 0.000 1.165 175 G CA 0.026 45.180 45.100 0.090 0.000 0.776 175 G HN 0.812 nan 8.290 nan 0.000 0.541 176 A N 0.079 122.975 122.820 0.128 0.000 2.366 176 A HA 0.544 4.863 4.320 -0.000 0.000 0.249 176 A C 1.108 178.756 177.584 0.108 0.000 1.084 176 A CA -0.147 51.902 52.037 0.020 0.000 0.794 176 A CB 0.580 19.481 19.000 -0.164 0.000 1.034 176 A HN 0.250 nan 8.150 nan 0.000 0.491 177 K N -0.518 119.865 120.400 -0.028 0.000 2.361 177 K HA 0.114 4.433 4.320 -0.000 0.000 0.194 177 K C 0.055 176.636 176.600 -0.032 0.000 1.032 177 K CA 1.049 57.371 56.287 0.058 0.000 1.048 177 K CB 0.302 32.826 32.500 0.040 0.000 0.842 177 K HN 0.897 nan 8.250 nan 0.000 0.526 178 T N -3.694 110.619 114.554 -0.401 0.000 2.868 178 T HA 0.210 4.560 4.350 -0.000 0.000 0.306 178 T C 0.262 174.345 174.700 -1.028 0.000 1.224 178 T CA -0.904 60.898 62.100 -0.498 0.000 1.012 178 T CB 0.874 69.621 68.868 -0.201 0.000 1.221 178 T HN -0.025 nan 8.240 nan 0.000 0.499 179 F N 2.003 121.445 119.950 -0.846 0.000 2.095 179 F HA 0.091 4.618 4.527 -0.001 0.000 0.298 179 F C 2.583 178.158 175.800 -0.375 0.000 1.104 179 F CA 2.224 59.865 58.000 -0.598 0.000 1.232 179 F CB -0.756 38.155 39.000 -0.149 0.000 0.987 179 F HN 0.815 nan 8.300 nan 0.000 0.475 180 A N -0.205 122.510 122.820 -0.174 0.000 1.940 180 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 180 A C 2.250 179.649 177.584 -0.309 0.000 1.176 180 A CA 1.936 53.864 52.037 -0.182 0.000 0.631 180 A CB -1.025 17.945 19.000 -0.050 0.000 0.814 180 A HN 0.624 nan 8.150 nan 0.000 0.446 181 E N -0.226 119.765 120.200 -0.348 0.000 2.072 181 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 181 E C 2.187 178.556 176.600 -0.386 0.000 0.985 181 E CA 0.881 57.094 56.400 -0.311 0.000 0.801 181 E CB -0.248 29.293 29.700 -0.265 0.000 0.750 181 E HN 0.533 nan 8.360 nan 0.000 0.452 182 A N 1.248 123.739 122.820 -0.547 0.000 1.908 182 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 182 A C 2.140 179.443 177.584 -0.470 0.000 1.181 182 A CA 1.390 53.135 52.037 -0.486 0.000 0.627 182 A CB -0.690 18.006 19.000 -0.505 0.000 0.818 182 A HN 0.381 nan 8.150 nan 0.000 0.445 183 L N -0.273 120.579 121.223 -0.617 0.000 2.056 183 L HA -0.094 4.245 4.340 -0.000 0.000 0.207 183 L C 2.438 179.154 176.870 -0.256 0.000 1.078 183 L CA 2.357 56.924 54.840 -0.455 0.000 0.749 183 L CB -0.656 41.092 42.059 -0.519 0.000 0.901 183 L HN 0.487 nan 8.230 nan 0.000 0.433 184 R N -0.384 119.978 120.500 -0.230 0.000 2.080 184 R HA -0.173 4.167 4.340 -0.000 0.000 0.236 184 R C 2.380 178.599 176.300 -0.135 0.000 1.137 184 R CA 2.232 58.252 56.100 -0.134 0.000 0.943 184 R CB -0.452 29.779 30.300 -0.114 0.000 0.846 184 R HN 0.429 nan 8.270 nan 0.000 0.431 185 I N 0.253 120.667 120.570 -0.260 0.000 2.151 185 I HA -0.247 3.922 4.170 -0.000 0.000 0.243 185 I C 2.445 178.439 176.117 -0.205 0.000 1.080 185 I CA 1.645 62.697 61.300 -0.413 0.000 1.339 185 I CB -0.656 36.985 38.000 -0.597 0.000 1.039 185 I HN 0.496 nan 8.210 nan 0.000 0.409 186 G N 0.359 109.043 108.800 -0.193 0.000 2.446 186 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.217 186 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.217 186 G C 1.789 176.654 174.900 -0.059 0.000 1.168 186 G CA 1.240 46.266 45.100 -0.124 0.000 0.771 186 G HN 0.520 nan 8.290 nan 0.000 0.551 187 S N 0.812 116.474 115.700 -0.065 0.000 2.368 187 S HA -0.106 4.364 4.470 -0.000 0.000 0.225 187 S C 2.022 176.655 174.600 0.055 0.000 1.030 187 S CA 1.777 59.958 58.200 -0.032 0.000 0.999 187 S CB -0.425 62.796 63.200 0.035 0.000 0.844 187 S HN 0.599 nan 8.310 nan 0.000 0.459 188 E N 0.905 121.183 120.200 0.129 0.000 2.110 188 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 188 E C 2.172 178.869 176.600 0.161 0.000 0.988 188 E CA 1.232 57.761 56.400 0.214 0.000 0.804 188 E CB -0.413 29.435 29.700 0.245 0.000 0.745 188 E HN 0.428 nan 8.360 nan 0.000 0.458 189 V N 0.859 120.854 119.914 0.134 0.000 2.295 189 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 189 V C 2.067 178.194 176.094 0.056 0.000 1.049 189 V CA 1.934 64.297 62.300 0.104 0.000 1.024 189 V CB -0.628 31.250 31.823 0.092 0.000 0.648 189 V HN 0.298 nan 8.190 nan 0.000 0.447 190 Y N 0.851 121.083 120.300 -0.113 0.000 2.114 190 Y HA -0.325 4.224 4.550 -0.001 0.000 0.282 190 Y C 2.768 178.541 175.900 -0.211 0.000 1.165 190 Y CA 2.280 60.265 58.100 -0.191 0.000 1.148 190 Y CB -0.432 37.855 38.460 -0.288 0.000 0.972 190 Y HN 0.389 nan 8.280 nan 0.000 0.504 191 H N -0.438 118.661 119.070 0.047 0.000 2.353 191 H HA -0.154 4.402 4.556 -0.000 0.000 0.300 191 H C 2.045 177.314 175.328 -0.097 0.000 1.090 191 H CA 1.493 57.510 56.048 -0.052 0.000 1.327 191 H CB -0.533 29.252 29.762 0.040 0.000 1.383 191 H HN 0.481 nan 8.280 nan 0.000 0.508 192 N N 0.799 119.525 118.700 0.043 0.000 2.166 192 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 192 N C 2.170 177.647 175.510 -0.055 0.000 1.019 192 N CA 0.603 53.655 53.050 0.003 0.000 0.856 192 N CB -0.223 38.273 38.487 0.015 0.000 0.993 192 N HN 0.179 nan 8.380 nan 0.000 0.426 193 L N 2.187 123.348 121.223 -0.104 0.000 2.017 193 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 193 L C 2.337 179.106 176.870 -0.169 0.000 1.073 193 L CA 1.790 56.552 54.840 -0.130 0.000 0.745 193 L CB -0.602 41.371 42.059 -0.144 0.000 0.894 193 L HN 0.007 nan 8.230 nan 0.000 0.432 194 K N -0.709 119.517 120.400 -0.291 0.000 2.032 194 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 194 K C 2.152 178.687 176.600 -0.108 0.000 1.048 194 K CA 1.875 58.018 56.287 -0.240 0.000 0.927 194 K CB -0.231 32.079 32.500 -0.317 0.000 0.712 194 K HN 0.637 nan 8.250 nan 0.000 0.441 195 S N 0.906 116.560 115.700 -0.076 0.000 2.355 195 S HA -0.140 4.330 4.470 -0.000 0.000 0.222 195 S C 2.104 176.677 174.600 -0.044 0.000 1.031 195 S CA 1.074 59.248 58.200 -0.043 0.000 0.993 195 S CB -0.698 62.487 63.200 -0.025 0.000 0.859 195 S HN 0.311 nan 8.310 nan 0.000 0.453 196 L N 1.418 122.612 121.223 -0.049 0.000 2.042 196 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 196 L C 3.037 179.878 176.870 -0.049 0.000 1.076 196 L CA 1.760 56.570 54.840 -0.051 0.000 0.749 196 L CB -1.355 40.678 42.059 -0.044 0.000 0.893 196 L HN 0.392 nan 8.230 nan 0.000 0.432 197 T N -0.641 113.897 114.554 -0.026 0.000 2.746 197 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 197 T C 1.894 176.619 174.700 0.041 0.000 1.039 197 T CA 1.289 63.413 62.100 0.040 0.000 1.142 197 T CB -0.116 68.772 68.868 0.034 0.000 0.866 197 T HN 0.283 nan 8.240 nan 0.000 0.444 198 K N 0.848 121.248 120.400 0.000 0.000 2.097 198 K HA -0.099 4.220 4.320 -0.000 0.000 0.206 198 K C 2.399 178.985 176.600 -0.023 0.000 1.049 198 K CA 1.171 57.458 56.287 0.001 0.000 0.933 198 K CB -0.105 32.389 32.500 -0.010 0.000 0.717 198 K HN 0.270 nan 8.250 nan 0.000 0.442 199 K N 1.189 121.559 120.400 -0.050 0.000 2.025 199 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 199 K C 2.264 178.783 176.600 -0.135 0.000 1.049 199 K CA 1.255 57.498 56.287 -0.074 0.000 0.933 199 K CB 0.021 32.476 32.500 -0.074 0.000 0.714 199 K HN -0.054 nan 8.250 nan 0.000 0.438 200 R N -1.102 119.269 120.500 -0.214 0.000 2.073 200 R HA -0.100 4.240 4.340 -0.000 0.000 0.229 200 R C 0.895 176.802 176.300 -0.655 0.000 1.120 200 R CA 1.552 57.358 56.100 -0.490 0.000 0.967 200 R CB 0.066 29.960 30.300 -0.677 0.000 0.862 200 R HN 0.268 nan 8.270 nan 0.000 0.436 201 Y N -1.071 119.208 120.300 -0.036 0.000 2.557 201 Y HA 0.412 4.962 4.550 -0.001 0.000 0.247 201 Y C 0.298 176.181 175.900 -0.028 0.000 1.164 201 Y CA 0.192 58.271 58.100 -0.034 0.000 1.218 201 Y CB 1.485 39.919 38.460 -0.043 0.000 1.210 201 Y HN 0.290 nan 8.280 nan 0.000 0.529 202 G N 0.141 108.980 108.800 0.066 0.000 2.650 202 G HA2 0.107 4.067 3.960 -0.000 0.000 0.686 202 G HA3 0.107 4.067 3.960 -0.000 0.000 0.686 202 G C 0.719 175.641 174.900 0.037 0.000 1.205 202 G CA -0.453 44.673 45.100 0.043 0.000 0.781 202 G HN 0.409 nan 8.290 nan 0.000 0.648 203 A N 0.612 123.444 122.820 0.020 0.000 1.892 203 A HA 0.048 4.368 4.320 -0.000 0.000 0.218 203 A C 2.768 180.363 177.584 0.018 0.000 1.188 203 A CA 3.119 55.165 52.037 0.014 0.000 0.631 203 A CB -0.770 18.235 19.000 0.009 0.000 0.822 203 A HN 1.786 nan 8.150 nan 0.000 0.447 204 S N 0.175 115.887 115.700 0.020 0.000 2.419 204 S HA -0.001 4.469 4.470 -0.000 0.000 0.233 204 S C 2.098 176.709 174.600 0.019 0.000 1.016 204 S CA 0.969 59.179 58.200 0.018 0.000 0.974 204 S CB -0.447 62.762 63.200 0.014 0.000 0.786 204 S HN 0.833 nan 8.310 nan 0.000 0.492 205 A N 1.446 124.284 122.820 0.029 0.000 2.070 205 A HA 0.107 4.427 4.320 -0.000 0.000 0.220 205 A C 2.188 179.782 177.584 0.016 0.000 1.159 205 A CA 1.427 53.481 52.037 0.028 0.000 0.656 205 A CB -1.003 18.048 19.000 0.085 0.000 0.800 205 A HN 0.532 nan 8.150 nan 0.000 0.453 206 G N -0.437 108.372 108.800 0.014 0.000 2.623 206 G HA2 0.001 3.961 3.960 -0.000 0.000 0.214 206 G HA3 0.001 3.961 3.960 -0.000 0.000 0.214 206 G C 0.587 175.495 174.900 0.013 0.000 1.138 206 G CA 0.001 45.099 45.100 -0.003 0.000 0.794 206 G HN 0.666 nan 8.290 nan 0.000 0.535 207 N N -0.517 118.197 118.700 0.024 0.000 2.371 207 N HA 0.362 5.102 4.740 -0.000 0.000 0.243 207 N C -0.098 175.443 175.510 0.050 0.000 1.287 207 N CA -0.105 52.968 53.050 0.038 0.000 0.911 207 N CB 1.470 39.975 38.487 0.032 0.000 1.142 207 N HN 0.112 nan 8.380 nan 0.000 0.451 208 V N -1.840 118.115 119.914 0.068 0.000 2.732 208 V HA 0.824 4.944 4.120 -0.000 0.000 0.310 208 V C 0.644 176.782 176.094 0.075 0.000 1.053 208 V CA -0.723 61.630 62.300 0.088 0.000 0.957 208 V CB 1.145 33.043 31.823 0.125 0.000 1.018 208 V HN 0.650 nan 8.190 nan 0.000 0.452 209 G N 1.193 110.046 108.800 0.089 0.000 2.543 209 G HA2 0.339 4.299 3.960 -0.000 0.000 0.290 209 G HA3 0.339 4.299 3.960 -0.000 0.000 0.290 209 G C 0.173 175.112 174.900 0.066 0.000 1.310 209 G CA 0.005 45.156 45.100 0.086 0.000 1.025 209 G HN 0.778 nan 8.290 nan 0.000 0.502 210 D N -0.219 120.206 120.400 0.041 0.000 2.172 210 D HA -0.109 4.531 4.640 -0.000 0.000 0.196 210 D C 1.897 178.168 176.300 -0.048 0.000 0.999 210 D CA 1.314 55.296 54.000 -0.031 0.000 0.856 210 D CB 0.171 40.891 40.800 -0.133 0.000 0.934 210 D HN 0.637 nan 8.370 nan 0.000 0.453 211 E N -0.968 119.224 120.200 -0.013 0.000 2.463 211 E HA 0.290 4.640 4.350 -0.000 0.000 0.193 211 E C 1.112 177.757 176.600 0.075 0.000 1.041 211 E CA 0.277 56.699 56.400 0.037 0.000 0.879 211 E CB 0.672 30.428 29.700 0.095 0.000 0.997 211 E HN 0.272 nan 8.360 nan 0.000 0.478 212 G N 1.285 110.127 108.800 0.071 0.000 2.176 212 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.253 212 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.253 212 G C 0.545 175.530 174.900 0.142 0.000 0.979 212 G CA -0.191 44.951 45.100 0.070 0.000 0.641 212 G HN 0.477 nan 8.290 nan 0.000 0.530 213 G N -0.478 108.427 108.800 0.175 0.000 2.537 213 G HA2 0.682 4.641 3.960 -0.000 0.000 0.273 213 G HA3 0.682 4.641 3.960 -0.000 0.000 0.273 213 G C 0.724 175.750 174.900 0.210 0.000 1.189 213 G CA 0.304 45.561 45.100 0.261 0.000 0.881 213 G HN 1.593 nan 8.290 nan 0.000 0.535 214 V N -1.394 118.620 119.914 0.167 0.000 3.096 214 V HA 0.571 4.691 4.120 -0.000 0.000 0.306 214 V C 0.695 176.811 176.094 0.036 0.000 1.088 214 V CA -0.038 62.295 62.300 0.055 0.000 1.129 214 V CB 1.181 32.982 31.823 -0.037 0.000 1.014 214 V HN 1.314 nan 8.190 nan 0.000 0.486 215 A N 4.338 127.166 122.820 0.014 0.000 3.204 215 A HA 0.670 4.990 4.320 -0.000 0.000 0.327 215 A C -2.198 175.356 177.584 -0.050 0.000 0.998 215 A CA -1.405 50.629 52.037 -0.006 0.000 0.891 215 A CB -0.206 18.807 19.000 0.022 0.000 1.061 215 A HN 0.826 nan 8.150 nan 0.000 0.478 216 P HA 0.081 nan 4.420 nan 0.000 0.275 216 P C -0.502 176.668 177.300 -0.217 0.000 1.228 216 P CA -0.107 62.890 63.100 -0.173 0.000 0.786 216 P CB 0.538 32.066 31.700 -0.287 0.000 0.927 217 N N 2.246 120.820 118.700 -0.210 0.000 2.719 217 N HA 0.295 5.035 4.740 -0.000 0.000 0.243 217 N C -0.235 175.120 175.510 -0.257 0.000 1.104 217 N CA -0.474 52.470 53.050 -0.176 0.000 0.981 217 N CB -0.487 37.937 38.487 -0.105 0.000 1.290 217 N HN 0.346 nan 8.380 nan 0.000 0.513 218 I N -1.518 118.879 120.570 -0.287 0.000 2.785 218 I HA 0.372 4.542 4.170 -0.000 0.000 0.302 218 I C 0.581 176.588 176.117 -0.183 0.000 1.069 218 I CA -0.951 60.163 61.300 -0.309 0.000 1.045 218 I CB 2.154 39.870 38.000 -0.474 0.000 1.236 218 I HN 0.140 nan 8.210 nan 0.000 0.429 219 Q N 1.545 121.266 119.800 -0.133 0.000 2.212 219 Q HA 0.073 4.413 4.340 -0.000 0.000 0.199 219 Q C 0.685 176.647 176.000 -0.062 0.000 0.950 219 Q CA 1.229 56.983 55.803 -0.082 0.000 0.863 219 Q CB 0.443 29.151 28.738 -0.049 0.000 0.944 219 Q HN 0.909 nan 8.270 nan 0.000 0.465 220 T N -4.436 110.080 114.554 -0.063 0.000 2.907 220 T HA 0.646 4.996 4.350 -0.000 0.000 0.292 220 T C 0.839 175.525 174.700 -0.023 0.000 1.043 220 T CA -0.169 61.917 62.100 -0.023 0.000 1.003 220 T CB 1.888 70.760 68.868 0.006 0.000 1.084 220 T HN -0.021 nan 8.240 nan 0.000 0.483 221 A N 1.139 123.998 122.820 0.065 0.000 1.978 221 A HA -0.029 4.290 4.320 -0.000 0.000 0.220 221 A C 1.961 179.570 177.584 0.042 0.000 1.170 221 A CA 1.798 53.926 52.037 0.151 0.000 0.636 221 A CB -1.016 18.160 19.000 0.293 0.000 0.810 221 A HN 0.924 nan 8.150 nan 0.000 0.448 222 E N 0.158 120.405 120.200 0.079 0.000 2.153 222 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 222 E C 1.858 178.475 176.600 0.029 0.000 0.988 222 E CA 1.470 57.942 56.400 0.120 0.000 0.811 222 E CB -0.237 29.591 29.700 0.214 0.000 0.746 222 E HN 0.775 nan 8.360 nan 0.000 0.466 223 E N 0.228 120.420 120.200 -0.014 0.000 2.106 223 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 223 E C 2.011 178.541 176.600 -0.117 0.000 0.984 223 E CA 0.996 57.385 56.400 -0.018 0.000 0.806 223 E CB -0.131 29.543 29.700 -0.044 0.000 0.750 223 E HN 0.295 nan 8.360 nan 0.000 0.458 224 A N 0.830 123.473 122.820 -0.295 0.000 1.898 224 A HA -0.132 4.187 4.320 -0.000 0.000 0.216 224 A C 2.132 179.483 177.584 -0.389 0.000 1.181 224 A CA 1.017 52.745 52.037 -0.515 0.000 0.620 224 A CB -0.517 17.747 19.000 -1.226 0.000 0.819 224 A HN 0.139 nan 8.150 nan 0.000 0.442 225 L N -0.614 120.390 121.223 -0.364 0.000 2.217 225 L HA -0.122 4.217 4.340 -0.000 0.000 0.211 225 L C 1.843 178.526 176.870 -0.312 0.000 1.107 225 L CA 0.950 55.507 54.840 -0.472 0.000 0.783 225 L CB -0.409 40.987 42.059 -1.104 0.000 0.919 225 L HN 0.263 nan 8.230 nan 0.000 0.442 226 D N 0.074 120.407 120.400 -0.111 0.000 2.117 226 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 226 D C 2.390 178.707 176.300 0.028 0.000 0.982 226 D CA 1.038 55.082 54.000 0.074 0.000 0.828 226 D CB -0.085 40.785 40.800 0.116 0.000 0.967 226 D HN 0.201 nan 8.370 nan 0.000 0.464 227 L N 0.529 121.747 121.223 -0.007 0.000 1.989 227 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 227 L C 2.536 179.396 176.870 -0.017 0.000 1.071 227 L CA 0.938 55.776 54.840 -0.004 0.000 0.749 227 L CB -0.347 41.709 42.059 -0.006 0.000 0.890 227 L HN 0.040 nan 8.230 nan 0.000 0.431 228 I N -1.088 119.457 120.570 -0.041 0.000 2.163 228 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 228 I C 2.477 178.603 176.117 0.015 0.000 1.085 228 I CA 1.254 62.546 61.300 -0.015 0.000 1.347 228 I CB -0.349 37.641 38.000 -0.016 0.000 1.044 228 I HN 0.037 nan 8.210 nan 0.000 0.408 229 V N 0.817 120.751 119.914 0.033 0.000 2.332 229 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 229 V C 2.087 178.213 176.094 0.053 0.000 1.055 229 V CA 2.089 64.434 62.300 0.075 0.000 1.038 229 V CB -0.659 31.254 31.823 0.151 0.000 0.651 229 V HN 0.413 nan 8.190 nan 0.000 0.450 230 D N 0.261 120.684 120.400 0.040 0.000 2.117 230 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 230 D C 2.212 178.518 176.300 0.009 0.000 0.987 230 D CA 1.658 55.671 54.000 0.021 0.000 0.829 230 D CB -0.341 40.466 40.800 0.011 0.000 0.961 230 D HN 0.450 nan 8.370 nan 0.000 0.460 231 A N 0.513 123.337 122.820 0.007 0.000 1.930 231 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 231 A C 2.375 179.972 177.584 0.021 0.000 1.175 231 A CA 0.777 52.817 52.037 0.004 0.000 0.627 231 A CB -0.643 18.355 19.000 -0.004 0.000 0.815 231 A HN 0.186 nan 8.150 nan 0.000 0.443 232 I N -0.597 119.993 120.570 0.035 0.000 2.179 232 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 232 I C 2.599 178.731 176.117 0.027 0.000 1.088 232 I CA 1.797 63.130 61.300 0.055 0.000 1.357 232 I CB -0.249 37.787 38.000 0.061 0.000 1.051 232 I HN 0.328 nan 8.210 nan 0.000 0.409 233 K N 1.073 121.483 120.400 0.016 0.000 2.026 233 K HA -0.209 4.110 4.320 -0.000 0.000 0.208 233 K C 2.225 178.803 176.600 -0.037 0.000 1.048 233 K CA 1.607 57.891 56.287 -0.006 0.000 0.929 233 K CB -0.154 32.349 32.500 0.005 0.000 0.713 233 K HN 0.308 nan 8.250 nan 0.000 0.439 234 A N 1.053 123.857 122.820 -0.028 0.000 1.908 234 A HA -0.151 4.168 4.320 -0.000 0.000 0.218 234 A C 2.229 179.772 177.584 -0.068 0.000 1.181 234 A CA 2.054 54.068 52.037 -0.038 0.000 0.627 234 A CB -0.672 18.314 19.000 -0.024 0.000 0.818 234 A HN 0.467 nan 8.150 nan 0.000 0.445 235 A N -1.954 120.821 122.820 -0.075 0.000 2.168 235 A HA 0.367 4.687 4.320 -0.000 0.000 0.215 235 A C 1.898 179.216 177.584 -0.443 0.000 1.152 235 A CA 1.368 53.318 52.037 -0.144 0.000 0.716 235 A CB -0.987 18.028 19.000 0.024 0.000 0.794 235 A HN 2.010 nan 8.150 nan 0.000 0.465 236 G N -1.566 107.040 108.800 -0.324 0.000 2.137 236 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.237 236 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.237 236 G C 0.249 174.907 174.900 -0.404 0.000 1.002 236 G CA 0.423 45.317 45.100 -0.344 0.000 0.702 236 G HN 0.687 nan 8.290 nan 0.000 0.515 237 H N 0.208 119.279 119.070 0.002 0.000 2.486 237 H HA 0.212 4.768 4.556 -0.000 0.000 0.284 237 H C 0.314 175.644 175.328 0.003 0.000 1.103 237 H CA -0.413 55.634 56.048 -0.001 0.000 1.089 237 H CB 0.347 30.103 29.762 -0.010 0.000 1.603 237 H HN 0.309 nan 8.280 nan 0.000 0.557 238 D N 0.888 121.332 120.400 0.073 0.000 2.581 238 D HA 0.097 4.737 4.640 -0.000 0.000 0.238 238 D C 1.585 177.920 176.300 0.059 0.000 1.145 238 D CA 1.778 55.812 54.000 0.056 0.000 0.866 238 D CB 0.549 41.367 40.800 0.031 0.000 1.151 238 D HN 0.658 nan 8.370 nan 0.000 0.500 239 G N 3.010 111.844 108.800 0.057 0.000 2.234 239 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.235 239 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.235 239 G C 1.134 176.065 174.900 0.052 0.000 0.997 239 G CA 0.394 45.525 45.100 0.051 0.000 0.623 239 G HN 0.528 nan 8.290 nan 0.000 0.514 240 K N -0.389 120.046 120.400 0.057 0.000 2.353 240 K HA 0.491 4.811 4.320 -0.000 0.000 0.195 240 K C 0.196 176.798 176.600 0.004 0.000 1.031 240 K CA 0.438 56.748 56.287 0.039 0.000 1.079 240 K CB 1.471 33.993 32.500 0.037 0.000 0.857 240 K HN 0.250 nan 8.250 nan 0.000 0.535 241 V N 2.527 122.446 119.914 0.008 0.000 2.487 241 V HA 0.273 4.393 4.120 -0.000 0.000 0.298 241 V C -0.301 175.775 176.094 -0.029 0.000 1.028 241 V CA -0.986 61.294 62.300 -0.034 0.000 0.860 241 V CB 1.555 33.369 31.823 -0.015 0.000 0.991 241 V HN 0.013 nan 8.190 nan 0.000 0.427 242 K N 3.983 124.332 120.400 -0.085 0.000 2.245 242 K HA 0.723 5.043 4.320 -0.000 0.000 0.234 242 K C -0.775 175.771 176.600 -0.090 0.000 1.021 242 K CA -0.779 55.472 56.287 -0.061 0.000 0.898 242 K CB 2.489 34.961 32.500 -0.047 0.000 1.163 242 K HN 0.456 nan 8.250 nan 0.000 0.459 243 I N -0.013 120.546 120.570 -0.019 0.000 2.530 243 I HA 0.447 4.617 4.170 -0.000 0.000 0.297 243 I C 0.249 176.398 176.117 0.054 0.000 1.011 243 I CA -0.799 60.506 61.300 0.009 0.000 1.107 243 I CB 2.272 40.300 38.000 0.048 0.000 1.285 243 I HN 0.586 nan 8.210 nan 0.000 0.436 244 G N 5.537 114.389 108.800 0.088 0.000 2.519 244 G HA2 0.800 4.760 3.960 -0.000 0.000 0.307 244 G HA3 0.800 4.760 3.960 -0.000 0.000 0.307 244 G C -1.332 173.557 174.900 -0.018 0.000 1.266 244 G CA -0.522 44.657 45.100 0.132 0.000 0.970 244 G HN 0.403 nan 8.290 nan 0.000 0.481 245 L N 0.612 121.761 121.223 -0.123 0.000 2.370 245 L HA 0.540 4.880 4.340 -0.000 0.000 0.266 245 L C -1.269 175.448 176.870 -0.255 0.000 1.002 245 L CA -1.010 53.653 54.840 -0.294 0.000 0.818 245 L CB 2.699 44.510 42.059 -0.413 0.000 1.325 245 L HN 0.410 nan 8.230 nan 0.000 0.418 246 D N 0.154 120.386 120.400 -0.281 0.000 2.454 246 D HA 0.288 4.928 4.640 -0.000 0.000 0.247 246 D C 0.258 176.411 176.300 -0.246 0.000 1.129 246 D CA -0.431 53.442 54.000 -0.211 0.000 0.877 246 D CB 1.512 42.248 40.800 -0.108 0.000 1.082 246 D HN 0.486 nan 8.370 nan 0.000 0.537 247 C N 2.851 121.991 119.300 -0.267 0.000 2.467 247 C HA 0.306 4.765 4.460 -0.000 0.000 0.279 247 C C 1.701 176.623 174.990 -0.114 0.000 1.347 247 C CA 0.490 59.404 59.018 -0.173 0.000 1.748 247 C CB -1.206 26.376 27.740 -0.264 0.000 1.977 247 C HN 0.894 nan 8.230 nan 0.000 0.501 248 A N 1.371 124.066 122.820 -0.208 0.000 2.704 248 A HA -0.247 4.072 4.320 -0.000 0.000 0.299 248 A C 1.707 179.020 177.584 -0.452 0.000 1.507 248 A CA 1.006 52.901 52.037 -0.235 0.000 0.776 248 A CB -1.904 16.988 19.000 -0.180 0.000 1.027 248 A HN 1.093 nan 8.150 nan 0.000 0.475 249 S N -0.659 114.666 115.700 -0.625 0.000 2.420 249 S HA -0.186 4.284 4.470 -0.000 0.000 0.237 249 S C 1.751 175.778 174.600 -0.956 0.000 1.023 249 S CA 1.816 59.265 58.200 -1.252 0.000 0.991 249 S CB -0.633 62.102 63.200 -0.775 0.000 0.792 249 S HN 1.207 nan 8.310 nan 0.000 0.488 250 S N 1.730 117.141 115.700 -0.481 0.000 2.440 250 S HA -0.047 4.423 4.470 -0.000 0.000 0.238 250 S C 1.720 176.108 174.600 -0.353 0.000 1.010 250 S CA 1.066 59.085 58.200 -0.301 0.000 0.972 250 S CB -0.375 62.723 63.200 -0.170 0.000 0.774 250 S HN 0.561 nan 8.310 nan 0.000 0.501 251 E N 0.888 120.785 120.200 -0.504 0.000 2.338 251 E HA -0.071 4.279 4.350 -0.000 0.000 0.197 251 E C 0.720 176.858 176.600 -0.770 0.000 1.007 251 E CA 0.707 56.792 56.400 -0.525 0.000 0.849 251 E CB -0.099 29.319 29.700 -0.470 0.000 0.774 251 E HN 0.854 nan 8.360 nan 0.000 0.506 252 F N -2.472 117.088 119.950 -0.649 0.000 2.815 252 F HA 0.343 4.869 4.527 -0.001 0.000 0.335 252 F C -0.234 175.371 175.800 -0.326 0.000 1.179 252 F CA -1.327 56.306 58.000 -0.613 0.000 1.204 252 F CB -0.410 38.209 39.000 -0.636 0.000 1.050 252 F HN -0.285 nan 8.300 nan 0.000 0.510 253 F N 3.724 123.411 119.950 -0.439 0.000 2.371 253 F HA 0.653 5.179 4.527 -0.000 0.000 0.363 253 F C -0.436 175.137 175.800 -0.379 0.000 1.122 253 F CA -1.020 56.651 58.000 -0.548 0.000 1.129 253 F CB 0.522 39.189 39.000 -0.554 0.000 1.173 253 F HN 0.002 nan 8.300 nan 0.000 0.489 254 K N 4.555 124.533 120.400 -0.703 0.000 2.464 254 K HA 0.287 4.607 4.320 -0.000 0.000 0.253 254 K C -0.930 175.419 176.600 -0.418 0.000 0.933 254 K CA -0.931 55.042 56.287 -0.523 0.000 0.801 254 K CB 1.809 34.068 32.500 -0.401 0.000 1.271 254 K HN 0.426 nan 8.250 nan 0.000 0.430 255 D N 1.369 121.581 120.400 -0.313 0.000 2.701 255 D HA -0.185 4.455 4.640 -0.000 0.000 0.235 255 D C 0.748 176.902 176.300 -0.243 0.000 1.155 255 D CA 1.934 55.834 54.000 -0.166 0.000 0.649 255 D CB -1.222 39.609 40.800 0.051 0.000 1.050 255 D HN 1.052 nan 8.370 nan 0.000 0.425 256 G N -0.945 107.490 108.800 -0.608 0.000 2.166 256 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.260 256 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.260 256 G C 0.368 175.161 174.900 -0.178 0.000 0.986 256 G CA 1.114 45.947 45.100 -0.446 0.000 0.683 256 G HN 0.566 nan 8.290 nan 0.000 0.527 257 K N -1.530 118.682 120.400 -0.314 0.000 2.433 257 K HA 0.643 4.963 4.320 -0.000 0.000 0.252 257 K C -1.213 175.310 176.600 -0.128 0.000 1.015 257 K CA -1.041 55.272 56.287 0.043 0.000 0.860 257 K CB 1.441 34.104 32.500 0.272 0.000 1.359 257 K HN 0.049 nan 8.250 nan 0.000 0.452 258 Y N 0.609 121.079 120.300 0.282 0.000 2.334 258 Y HA 0.138 4.688 4.550 -0.000 0.000 0.336 258 Y C -0.364 175.560 175.900 0.040 0.000 0.960 258 Y CA -0.808 57.465 58.100 0.287 0.000 1.164 258 Y CB 1.168 39.863 38.460 0.391 0.000 1.155 258 Y HN 0.453 nan 8.280 nan 0.000 0.478 259 D N 4.285 124.600 120.400 -0.142 0.000 2.441 259 D HA 0.162 4.801 4.640 -0.000 0.000 0.221 259 D C 0.348 176.460 176.300 -0.312 0.000 1.156 259 D CA 0.035 53.720 54.000 -0.525 0.000 0.896 259 D CB 0.676 40.735 40.800 -1.234 0.000 1.028 259 D HN 0.646 nan 8.370 nan 0.000 0.509 260 L N 2.355 123.423 121.223 -0.259 0.000 2.650 260 L HA 0.078 4.417 4.340 -0.000 0.000 0.235 260 L C 0.731 177.527 176.870 -0.124 0.000 1.149 260 L CA 0.416 55.067 54.840 -0.316 0.000 0.887 260 L CB 0.024 41.946 42.059 -0.228 0.000 1.021 260 L HN 0.284 nan 8.230 nan 0.000 0.441 261 D N -0.970 119.408 120.400 -0.037 0.000 2.740 261 D HA 0.002 4.642 4.640 -0.000 0.000 0.301 261 D C 1.307 177.607 176.300 -0.000 0.000 1.408 261 D CA -0.447 53.546 54.000 -0.012 0.000 0.808 261 D CB 0.200 41.029 40.800 0.048 0.000 1.128 261 D HN 0.198 nan 8.370 nan 0.000 0.465 262 F N 0.445 120.322 119.950 -0.122 0.000 2.408 262 F HA 0.091 4.618 4.527 -0.000 0.000 0.300 262 F C 1.225 177.010 175.800 -0.025 0.000 1.090 262 F CA 0.859 58.804 58.000 -0.090 0.000 1.427 262 F CB -0.135 38.824 39.000 -0.069 0.000 1.070 262 F HN -0.117 nan 8.300 nan 0.000 0.549 263 K N 0.251 120.257 120.400 -0.657 0.000 2.404 263 K HA 0.002 4.322 4.320 -0.000 0.000 0.194 263 K C 0.196 176.668 176.600 -0.212 0.000 1.023 263 K CA -0.017 55.947 56.287 -0.537 0.000 1.094 263 K CB -0.233 31.892 32.500 -0.626 0.000 0.841 263 K HN 0.113 nan 8.250 nan 0.000 0.523 264 N N 2.104 120.734 118.700 -0.118 0.000 2.437 264 N HA 0.058 4.798 4.740 -0.000 0.000 0.243 264 N C -1.970 173.555 175.510 0.024 0.000 1.041 264 N CA -2.230 50.800 53.050 -0.034 0.000 0.940 264 N CB 1.174 39.657 38.487 -0.006 0.000 1.133 264 N HN -0.123 nan 8.380 nan 0.000 0.506 265 P HA -0.078 nan 4.420 nan 0.000 0.227 265 P C -0.307 177.037 177.300 0.073 0.000 1.145 265 P CA 1.032 64.163 63.100 0.051 0.000 0.769 265 P CB 0.344 32.064 31.700 0.033 0.000 0.769 266 N N -0.947 117.793 118.700 0.067 0.000 2.351 266 N HA 0.042 4.782 4.740 -0.000 0.000 0.254 266 N C -0.069 175.496 175.510 0.092 0.000 1.241 266 N CA -0.061 53.030 53.050 0.067 0.000 0.883 266 N CB 0.235 38.744 38.487 0.037 0.000 1.202 266 N HN -0.009 nan 8.380 nan 0.000 0.512 267 S N 0.893 116.687 115.700 0.157 0.000 2.558 267 S HA -0.110 4.359 4.470 -0.000 0.000 0.291 267 S C 0.090 174.830 174.600 0.233 0.000 1.306 267 S CA -0.000 58.345 58.200 0.241 0.000 1.056 267 S CB 0.444 63.883 63.200 0.398 0.000 0.836 267 S HN 0.169 nan 8.310 nan 0.000 0.504 268 D N 3.278 123.787 120.400 0.182 0.000 2.402 268 D HA 0.167 4.807 4.640 -0.000 0.000 0.235 268 D C 1.074 177.231 176.300 -0.238 0.000 1.226 268 D CA 0.003 54.009 54.000 0.009 0.000 0.918 268 D CB 0.354 41.164 40.800 0.017 0.000 1.043 268 D HN 0.556 nan 8.370 nan 0.000 0.506 269 K N 1.071 121.077 120.400 -0.657 0.000 2.228 269 K HA -0.204 4.116 4.320 -0.000 0.000 0.205 269 K C 1.804 177.871 176.600 -0.889 0.000 1.045 269 K CA 1.375 56.708 56.287 -1.590 0.000 0.931 269 K CB -0.085 31.681 32.500 -1.222 0.000 0.727 269 K HN 0.384 nan 8.250 nan 0.000 0.458 270 S N 0.908 116.356 115.700 -0.421 0.000 2.507 270 S HA -0.072 4.398 4.470 -0.000 0.000 0.235 270 S C 1.532 176.079 174.600 -0.088 0.000 0.988 270 S CA 0.844 58.919 58.200 -0.208 0.000 0.944 270 S CB 0.043 63.165 63.200 -0.130 0.000 0.762 270 S HN 0.247 nan 8.310 nan 0.000 0.526 271 K N -0.420 119.953 120.400 -0.044 0.000 2.361 271 K HA 0.116 4.436 4.320 -0.000 0.000 0.194 271 K C -0.491 176.294 176.600 0.309 0.000 1.032 271 K CA -0.344 56.020 56.287 0.127 0.000 1.048 271 K CB 0.108 32.701 32.500 0.155 0.000 0.842 271 K HN 0.391 nan 8.250 nan 0.000 0.526 272 W N 2.549 123.872 121.300 0.039 0.000 2.264 272 W HA 0.087 4.747 4.660 -0.000 0.000 0.331 272 W C 0.457 177.029 176.519 0.088 0.000 1.364 272 W CA -0.742 56.644 57.345 0.067 0.000 1.253 272 W CB -0.392 29.100 29.460 0.054 0.000 1.215 272 W HN -0.067 nan 8.180 nan 0.000 0.561 273 L N 3.127 124.560 121.223 0.349 0.000 2.399 273 L HA 0.436 4.775 4.340 -0.000 0.000 0.265 273 L C 1.193 178.264 176.870 0.335 0.000 1.089 273 L CA -0.811 54.188 54.840 0.265 0.000 0.802 273 L CB 0.741 42.909 42.059 0.182 0.000 1.180 273 L HN 0.419 nan 8.230 nan 0.000 0.454 274 T N -1.950 112.753 114.554 0.249 0.000 2.847 274 T HA 0.257 4.607 4.350 -0.000 0.000 0.279 274 T C 1.276 176.144 174.700 0.281 0.000 0.984 274 T CA -0.157 62.108 62.100 0.274 0.000 0.988 274 T CB 1.459 70.423 68.868 0.161 0.000 1.040 274 T HN 0.692 nan 8.240 nan 0.000 0.528 275 G N 1.114 110.089 108.800 0.292 0.000 2.491 275 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.218 275 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.218 275 G C -0.869 174.051 174.900 0.032 0.000 1.180 275 G CA 0.787 45.973 45.100 0.144 0.000 0.774 275 G HN 0.652 nan 8.290 nan 0.000 0.562 276 P HA -0.037 nan 4.420 nan 0.000 0.217 276 P C 1.820 179.162 177.300 0.071 0.000 1.150 276 P CA 1.201 64.326 63.100 0.042 0.000 0.832 276 P CB -0.052 31.647 31.700 -0.001 0.000 0.787 277 Q N -0.992 118.844 119.800 0.059 0.000 2.119 277 Q HA -0.124 4.216 4.340 -0.000 0.000 0.201 277 Q C 2.092 178.070 176.000 -0.036 0.000 0.972 277 Q CA 0.872 56.698 55.803 0.037 0.000 0.847 277 Q CB -0.826 27.945 28.738 0.055 0.000 0.903 277 Q HN 0.137 nan 8.270 nan 0.000 0.433 278 L N 0.831 122.007 121.223 -0.078 0.000 2.017 278 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 278 L C 2.172 178.714 176.870 -0.548 0.000 1.073 278 L CA 2.103 56.728 54.840 -0.358 0.000 0.745 278 L CB -0.906 40.894 42.059 -0.431 0.000 0.894 278 L HN 0.149 nan 8.230 nan 0.000 0.432 279 A N -0.812 121.920 122.820 -0.147 0.000 1.940 279 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 279 A C 2.011 179.671 177.584 0.126 0.000 1.176 279 A CA 1.965 54.003 52.037 0.003 0.000 0.631 279 A CB -0.900 18.294 19.000 0.323 0.000 0.814 279 A HN 0.551 nan 8.150 nan 0.000 0.446 280 D N -0.229 120.237 120.400 0.110 0.000 2.123 280 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 280 D C 1.895 178.247 176.300 0.087 0.000 0.992 280 D CA 0.974 55.063 54.000 0.149 0.000 0.833 280 D CB -0.384 40.468 40.800 0.087 0.000 0.954 280 D HN 0.412 nan 8.370 nan 0.000 0.455 281 L N 0.020 121.199 121.223 -0.074 0.000 2.017 281 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 281 L C 2.259 179.145 176.870 0.026 0.000 1.073 281 L CA 1.464 56.256 54.840 -0.080 0.000 0.745 281 L CB -0.330 41.585 42.059 -0.240 0.000 0.894 281 L HN 0.058 nan 8.230 nan 0.000 0.432 282 Y N -0.087 120.178 120.300 -0.059 0.000 2.181 282 Y HA -0.272 4.278 4.550 -0.000 0.000 0.288 282 Y C 2.610 178.536 175.900 0.042 0.000 1.146 282 Y CA 1.587 59.632 58.100 -0.091 0.000 1.164 282 Y CB -1.298 36.965 38.460 -0.329 0.000 0.982 282 Y HN 0.372 nan 8.280 nan 0.000 0.515 283 H N -0.716 118.554 119.070 0.333 0.000 2.387 283 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 283 H C 2.457 177.881 175.328 0.160 0.000 1.090 283 H CA 1.745 57.943 56.048 0.250 0.000 1.332 283 H CB -0.057 29.831 29.762 0.209 0.000 1.386 283 H HN 0.353 nan 8.280 nan 0.000 0.516 284 S N 0.488 116.334 115.700 0.243 0.000 2.368 284 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 284 S C 2.049 176.744 174.600 0.158 0.000 1.030 284 S CA 1.015 59.311 58.200 0.159 0.000 0.999 284 S CB -0.535 62.734 63.200 0.116 0.000 0.844 284 S HN 0.344 nan 8.310 nan 0.000 0.459 285 L N 0.244 121.598 121.223 0.218 0.000 2.093 285 L HA 0.025 4.365 4.340 -0.000 0.000 0.208 285 L C 2.810 179.842 176.870 0.270 0.000 1.085 285 L CA 1.333 56.358 54.840 0.307 0.000 0.755 285 L CB -0.642 41.607 42.059 0.317 0.000 0.904 285 L HN 0.322 nan 8.230 nan 0.000 0.435 286 M N -0.417 119.304 119.600 0.203 0.000 2.374 286 M HA -0.181 4.299 4.480 -0.000 0.000 0.264 286 M C 2.241 178.610 176.300 0.116 0.000 1.067 286 M CA 1.478 56.872 55.300 0.156 0.000 1.103 286 M CB -0.219 32.458 32.600 0.128 0.000 1.402 286 M HN 0.123 nan 8.290 nan 0.000 0.444 287 K N 0.449 120.906 120.400 0.096 0.000 2.137 287 K HA -0.070 4.249 4.320 -0.000 0.000 0.202 287 K C 2.186 178.763 176.600 -0.038 0.000 1.052 287 K CA 0.827 57.138 56.287 0.039 0.000 0.961 287 K CB 0.152 32.677 32.500 0.042 0.000 0.741 287 K HN 0.189 nan 8.250 nan 0.000 0.452 288 R N -0.813 119.617 120.500 -0.116 0.000 2.127 288 R HA 0.016 4.356 4.340 -0.000 0.000 0.217 288 R C -0.195 175.802 176.300 -0.504 0.000 1.074 288 R CA 0.689 56.556 56.100 -0.388 0.000 0.991 288 R CB 0.227 30.148 30.300 -0.631 0.000 0.895 288 R HN 0.046 nan 8.270 nan 0.000 0.450 289 Y N -0.384 119.953 120.300 0.061 0.000 2.562 289 Y HA 0.378 4.928 4.550 -0.000 0.000 0.343 289 Y C -1.979 173.953 175.900 0.052 0.000 1.025 289 Y CA -3.234 54.901 58.100 0.059 0.000 1.082 289 Y CB 1.289 39.793 38.460 0.074 0.000 1.264 289 Y HN -0.020 nan 8.280 nan 0.000 0.478 290 P HA 0.187 nan 4.420 nan 0.000 0.225 290 P C -0.552 176.820 177.300 0.120 0.000 1.768 290 P CA 0.431 63.612 63.100 0.135 0.000 0.943 290 P CB -0.614 31.149 31.700 0.105 0.000 1.936 291 I N 1.177 121.828 120.570 0.134 0.000 2.396 291 I HA 0.018 4.188 4.170 -0.000 0.000 0.289 291 I C 1.635 177.808 176.117 0.093 0.000 1.056 291 I CA -0.315 61.046 61.300 0.101 0.000 1.365 291 I CB 1.458 39.516 38.000 0.097 0.000 1.407 291 I HN -0.044 nan 8.210 nan 0.000 0.509 292 V N 1.582 121.564 119.914 0.112 0.000 3.528 292 V HA 0.319 4.439 4.120 -0.000 0.000 0.294 292 V C 0.389 176.602 176.094 0.197 0.000 1.404 292 V CA -0.076 62.329 62.300 0.175 0.000 1.065 292 V CB 0.152 32.141 31.823 0.276 0.000 0.904 292 V HN 0.684 nan 8.190 nan 0.000 0.435 293 S N 0.078 115.850 115.700 0.120 0.000 2.542 293 S HA 0.760 5.230 4.470 -0.000 0.000 0.276 293 S C -1.534 173.050 174.600 -0.027 0.000 1.148 293 S CA -0.524 57.719 58.200 0.071 0.000 0.886 293 S CB 1.792 65.047 63.200 0.092 0.000 1.109 293 S HN 0.308 nan 8.310 nan 0.000 0.458 294 I N 3.214 123.737 120.570 -0.079 0.000 2.512 294 I HA 0.434 4.604 4.170 -0.000 0.000 0.287 294 I C -0.483 175.523 176.117 -0.186 0.000 1.069 294 I CA -0.506 60.679 61.300 -0.191 0.000 1.056 294 I CB 2.045 39.884 38.000 -0.267 0.000 1.229 294 I HN 0.684 nan 8.210 nan 0.000 0.429 295 E N 5.932 126.000 120.200 -0.220 0.000 2.183 295 E HA 0.209 4.559 4.350 -0.000 0.000 0.271 295 E C -0.871 175.598 176.600 -0.217 0.000 0.919 295 E CA -0.374 55.937 56.400 -0.149 0.000 0.781 295 E CB 1.158 30.796 29.700 -0.104 0.000 1.140 295 E HN 0.547 nan 8.360 nan 0.000 0.402 296 D N 3.997 124.350 120.400 -0.079 0.000 2.689 296 D HA -0.140 4.500 4.640 -0.000 0.000 0.237 296 D C -1.809 174.132 176.300 -0.598 0.000 1.148 296 D CA 0.495 54.420 54.000 -0.125 0.000 0.656 296 D CB -0.564 40.215 40.800 -0.036 0.000 1.050 296 D HN 0.470 nan 8.370 nan 0.000 0.426 297 P HA -0.134 nan 4.420 nan 0.000 0.218 297 P C 0.459 176.692 177.300 -1.779 0.000 1.148 297 P CA 1.230 63.485 63.100 -1.408 0.000 0.822 297 P CB 0.197 30.959 31.700 -1.563 0.000 0.784 298 F N -1.057 118.214 119.950 -1.132 0.000 2.611 298 F HA 0.625 5.152 4.527 -0.000 0.000 0.324 298 F C 0.756 176.402 175.800 -0.257 0.000 1.061 298 F CA -1.648 55.878 58.000 -0.790 0.000 0.954 298 F CB 0.334 38.802 39.000 -0.887 0.000 1.301 298 F HN -0.209 nan 8.300 nan 0.000 0.482 299 A N 0.488 123.329 122.820 0.035 0.000 2.448 299 A HA 0.157 4.477 4.320 -0.000 0.000 0.239 299 A C 1.390 178.986 177.584 0.020 0.000 1.080 299 A CA 0.073 52.020 52.037 -0.149 0.000 0.779 299 A CB -0.104 18.457 19.000 -0.730 0.000 1.026 299 A HN 0.950 nan 8.150 nan 0.000 0.499 300 E N -0.000 120.154 120.200 -0.076 0.000 2.333 300 E HA -0.208 4.142 4.350 -0.000 0.000 0.200 300 E C -0.413 175.997 176.600 -0.318 0.000 1.010 300 E CA 1.675 57.993 56.400 -0.136 0.000 0.841 300 E CB -0.072 29.610 29.700 -0.030 0.000 0.757 300 E HN 0.655 nan 8.360 nan 0.000 0.508 301 D N 0.411 120.650 120.400 -0.268 0.000 2.556 301 D HA 0.018 4.658 4.640 -0.000 0.000 0.237 301 D C -0.411 175.702 176.300 -0.311 0.000 1.296 301 D CA -0.097 53.692 54.000 -0.351 0.000 0.807 301 D CB 0.336 41.177 40.800 0.069 0.000 1.084 301 D HN 0.003 nan 8.370 nan 0.000 0.510 302 D N 0.050 120.317 120.400 -0.221 0.000 2.994 302 D HA 0.027 4.667 4.640 -0.000 0.000 0.240 302 D C 1.090 177.518 176.300 0.213 0.000 1.195 302 D CA -0.344 53.664 54.000 0.014 0.000 0.957 302 D CB -0.374 40.392 40.800 -0.057 0.000 1.105 302 D HN 0.136 nan 8.370 nan 0.000 0.477 303 W N 0.780 122.186 121.300 0.176 0.000 2.302 303 W HA -0.223 4.437 4.660 -0.000 0.000 0.320 303 W C 2.121 178.753 176.519 0.188 0.000 1.241 303 W CA 0.972 58.396 57.345 0.131 0.000 1.264 303 W CB -0.206 29.272 29.460 0.030 0.000 1.154 303 W HN 0.286 nan 8.180 nan 0.000 0.483 304 E N -0.127 120.285 120.200 0.354 0.000 2.118 304 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 304 E C 2.303 178.996 176.600 0.155 0.000 0.992 304 E CA 1.224 57.762 56.400 0.229 0.000 0.804 304 E CB -0.539 29.251 29.700 0.150 0.000 0.741 304 E HN 0.320 nan 8.360 nan 0.000 0.458 305 A N 0.706 123.550 122.820 0.039 0.000 1.898 305 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 305 A C 1.676 179.044 177.584 -0.361 0.000 1.181 305 A CA 1.026 52.839 52.037 -0.373 0.000 0.620 305 A CB -0.844 17.672 19.000 -0.807 0.000 0.819 305 A HN 0.307 nan 8.150 nan 0.000 0.442 306 W N 0.387 121.620 121.300 -0.111 0.000 2.354 306 W HA -0.116 4.544 4.660 -0.001 0.000 0.315 306 W C 2.910 179.578 176.519 0.250 0.000 1.206 306 W CA 1.697 59.147 57.345 0.175 0.000 1.290 306 W CB -0.848 28.706 29.460 0.157 0.000 1.152 306 W HN 0.237 nan 8.180 nan 0.000 0.489 307 S N -1.220 114.768 115.700 0.480 0.000 2.372 307 S HA -0.337 4.133 4.470 -0.000 0.000 0.227 307 S C 1.745 176.553 174.600 0.346 0.000 1.044 307 S CA 1.822 60.246 58.200 0.375 0.000 1.050 307 S CB -0.909 62.473 63.200 0.303 0.000 0.901 307 S HN 0.394 nan 8.310 nan 0.000 0.447 308 H N -0.480 118.711 119.070 0.202 0.000 2.293 308 H HA -0.110 4.446 4.556 -0.000 0.000 0.300 308 H C 2.195 177.667 175.328 0.240 0.000 1.082 308 H CA 1.795 57.942 56.048 0.165 0.000 1.308 308 H CB -0.427 29.383 29.762 0.080 0.000 1.375 308 H HN 0.436 nan 8.280 nan 0.000 0.495 309 F N 0.949 120.935 119.950 0.060 0.000 2.126 309 F HA -0.209 4.318 4.527 -0.000 0.000 0.299 309 F C 2.357 178.231 175.800 0.123 0.000 1.096 309 F CA 1.258 59.316 58.000 0.097 0.000 1.255 309 F CB -1.065 38.096 39.000 0.269 0.000 0.997 309 F HN 0.122 nan 8.300 nan 0.000 0.479 310 F N 1.390 121.384 119.950 0.074 0.000 2.202 310 F HA -0.193 4.334 4.527 -0.000 0.000 0.301 310 F C 2.219 177.949 175.800 -0.116 0.000 1.082 310 F CA 1.693 59.658 58.000 -0.059 0.000 1.313 310 F CB -0.538 38.518 39.000 0.094 0.000 1.024 310 F HN -0.085 nan 8.300 nan 0.000 0.495 311 K N -1.007 119.372 120.400 -0.035 0.000 2.160 311 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 311 K C 1.421 177.875 176.600 -0.243 0.000 1.047 311 K CA 1.851 58.066 56.287 -0.121 0.000 0.930 311 K CB -0.401 32.048 32.500 -0.084 0.000 0.720 311 K HN 0.425 nan 8.250 nan 0.000 0.450 312 T N -3.853 110.534 114.554 -0.279 0.000 3.170 312 T HA 0.416 4.765 4.350 -0.000 0.000 0.288 312 T C 1.414 175.968 174.700 -0.244 0.000 0.992 312 T CA 0.085 62.045 62.100 -0.232 0.000 0.909 312 T CB 0.777 69.541 68.868 -0.174 0.000 1.133 312 T HN 0.066 nan 8.240 nan 0.000 0.530 313 A N 2.231 124.721 122.820 -0.550 0.000 1.851 313 A HA 0.373 4.693 4.320 -0.000 0.000 0.216 313 A C 2.436 179.785 177.584 -0.391 0.000 1.195 313 A CA 1.785 53.403 52.037 -0.697 0.000 0.622 313 A CB -1.542 16.917 19.000 -0.902 0.000 0.831 313 A HN 1.634 nan 8.150 nan 0.000 0.444 314 G N -1.282 107.269 108.800 -0.415 0.000 2.168 314 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.263 314 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.263 314 G C 0.303 175.077 174.900 -0.210 0.000 0.977 314 G CA 0.921 45.859 45.100 -0.270 0.000 0.659 314 G HN 1.710 nan 8.290 nan 0.000 0.533 315 I N -4.137 116.297 120.570 -0.228 0.000 3.264 315 I HA 0.723 4.892 4.170 -0.000 0.000 0.315 315 I C -0.028 175.990 176.117 -0.164 0.000 1.154 315 I CA -1.519 59.694 61.300 -0.146 0.000 0.962 315 I CB 1.546 39.509 38.000 -0.060 0.000 1.265 315 I HN 0.048 nan 8.210 nan 0.000 0.463 316 Q N 2.184 121.916 119.800 -0.113 0.000 2.300 316 Q HA 0.285 4.624 4.340 -0.000 0.000 0.280 316 Q C -1.349 174.646 176.000 -0.009 0.000 1.033 316 Q CA -0.018 55.726 55.803 -0.098 0.000 0.903 316 Q CB 0.749 29.522 28.738 0.057 0.000 1.195 316 Q HN 0.507 nan 8.270 nan 0.000 0.386 317 I N 5.596 126.188 120.570 0.037 0.000 2.411 317 I HA 0.237 4.407 4.170 -0.000 0.000 0.284 317 I C -0.605 175.523 176.117 0.019 0.000 1.012 317 I CA -0.624 60.730 61.300 0.091 0.000 1.119 317 I CB 1.342 39.518 38.000 0.293 0.000 1.261 317 I HN 0.409 nan 8.210 nan 0.000 0.448 318 V N 5.392 125.320 119.914 0.023 0.000 2.439 318 V HA 0.598 4.718 4.120 -0.000 0.000 0.282 318 V C 0.703 176.864 176.094 0.112 0.000 1.039 318 V CA -0.680 61.621 62.300 0.001 0.000 0.913 318 V CB 1.479 33.281 31.823 -0.036 0.000 0.983 318 V HN 0.824 nan 8.190 nan 0.000 0.460 319 A N 2.964 125.801 122.820 0.028 0.000 2.274 319 A HA 0.618 4.938 4.320 -0.000 0.000 0.309 319 A C 0.159 177.755 177.584 0.020 0.000 1.226 319 A CA -0.242 51.798 52.037 0.004 0.000 0.853 319 A CB 0.902 19.819 19.000 -0.140 0.000 1.146 319 A HN 0.900 nan 8.150 nan 0.000 0.518 320 D N 0.815 121.233 120.400 0.031 0.000 3.040 320 D HA 0.014 4.654 4.640 -0.000 0.000 0.221 320 D C 0.650 176.945 176.300 -0.008 0.000 1.515 320 D CA 0.434 54.444 54.000 0.017 0.000 1.379 320 D CB 0.121 40.934 40.800 0.022 0.000 0.992 320 D HN 0.346 nan 8.370 nan 0.000 0.234 321 D N 0.238 120.635 120.400 -0.005 0.000 2.263 321 D HA -0.091 4.549 4.640 -0.000 0.000 0.208 321 D C 2.035 178.301 176.300 -0.057 0.000 0.971 321 D CA 0.295 54.285 54.000 -0.017 0.000 0.867 321 D CB -0.071 40.714 40.800 -0.025 0.000 0.929 321 D HN 0.168 nan 8.370 nan 0.000 0.492 322 L N 0.609 121.733 121.223 -0.165 0.000 2.083 322 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 322 L C 2.128 178.841 176.870 -0.261 0.000 1.083 322 L CA 1.879 56.462 54.840 -0.428 0.000 0.752 322 L CB -0.507 40.977 42.059 -0.959 0.000 0.899 322 L HN 0.097 nan 8.230 nan 0.000 0.433 323 T N -4.330 110.145 114.554 -0.131 0.000 3.000 323 T HA 0.120 4.470 4.350 -0.000 0.000 0.248 323 T C 0.943 175.639 174.700 -0.008 0.000 1.034 323 T CA 0.407 62.487 62.100 -0.034 0.000 1.060 323 T CB -0.497 68.381 68.868 0.018 0.000 0.983 323 T HN 0.588 nan 8.240 nan 0.000 0.482 324 V N 0.613 120.527 119.914 0.000 0.000 5.359 324 V HA -0.255 3.864 4.120 -0.000 0.000 0.278 324 V C 0.373 176.472 176.094 0.008 0.000 0.622 324 V CA 0.751 63.061 62.300 0.016 0.000 0.649 324 V CB -3.554 28.296 31.823 0.045 0.000 0.408 324 V HN 0.739 nan 8.190 nan 0.000 0.918 325 T N -1.045 113.510 114.554 0.003 0.000 3.897 325 T HA -0.268 4.082 4.350 -0.000 0.000 0.353 325 T C 0.246 174.934 174.700 -0.020 0.000 0.758 325 T CA 1.624 63.720 62.100 -0.006 0.000 1.883 325 T CB -1.499 67.370 68.868 0.002 0.000 1.849 325 T HN 1.439 nan 8.240 nan 0.000 0.791 326 N N 0.683 119.368 118.700 -0.025 0.000 2.479 326 N HA 0.324 5.064 4.740 -0.000 0.000 0.261 326 N C -1.805 173.669 175.510 -0.061 0.000 0.979 326 N CA -2.471 50.558 53.050 -0.035 0.000 0.930 326 N CB 2.085 40.557 38.487 -0.024 0.000 1.172 326 N HN -0.110 nan 8.380 nan 0.000 0.499 327 P HA -0.134 nan 4.420 nan 0.000 0.217 327 P C 0.800 178.033 177.300 -0.111 0.000 1.148 327 P CA 1.489 64.526 63.100 -0.104 0.000 0.828 327 P CB 0.504 32.148 31.700 -0.093 0.000 0.783 328 K N -0.515 119.832 120.400 -0.088 0.000 2.057 328 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 328 K C 2.243 178.784 176.600 -0.099 0.000 1.050 328 K CA 1.181 57.413 56.287 -0.093 0.000 0.935 328 K CB -0.189 32.265 32.500 -0.077 0.000 0.715 328 K HN 0.120 nan 8.250 nan 0.000 0.439 329 R N 0.362 120.821 120.500 -0.068 0.000 2.119 329 R HA 0.027 4.367 4.340 -0.000 0.000 0.222 329 R C 2.264 178.559 176.300 -0.008 0.000 1.088 329 R CA 0.793 56.883 56.100 -0.016 0.000 0.984 329 R CB -0.217 30.096 30.300 0.022 0.000 0.884 329 R HN 0.155 nan 8.270 nan 0.000 0.447 330 I N 0.965 121.486 120.570 -0.082 0.000 2.286 330 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 330 I C 2.596 178.563 176.117 -0.249 0.000 1.115 330 I CA 1.143 62.336 61.300 -0.179 0.000 1.392 330 I CB -0.320 37.514 38.000 -0.277 0.000 1.065 330 I HN 0.154 nan 8.210 nan 0.000 0.418 331 A N 0.291 122.986 122.820 -0.208 0.000 1.908 331 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 331 A C 2.388 179.855 177.584 -0.195 0.000 1.181 331 A CA 2.610 54.524 52.037 -0.204 0.000 0.627 331 A CB -1.148 17.752 19.000 -0.166 0.000 0.818 331 A HN 0.397 nan 8.150 nan 0.000 0.445 332 T N 0.274 114.700 114.554 -0.214 0.000 2.674 332 T HA -0.006 4.344 4.350 -0.000 0.000 0.265 332 T C 2.265 176.809 174.700 -0.261 0.000 1.039 332 T CA 1.681 63.573 62.100 -0.348 0.000 1.150 332 T CB -0.561 67.936 68.868 -0.619 0.000 0.864 332 T HN 0.619 nan 8.240 nan 0.000 0.427 333 A N 1.009 123.820 122.820 -0.014 0.000 1.940 333 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 333 A C 2.295 180.022 177.584 0.238 0.000 1.176 333 A CA 1.292 53.492 52.037 0.273 0.000 0.631 333 A CB -0.843 18.427 19.000 0.451 0.000 0.814 333 A HN 0.542 nan 8.150 nan 0.000 0.446 334 I N -0.861 119.751 120.570 0.071 0.000 2.202 334 I HA -0.205 3.964 4.170 -0.000 0.000 0.242 334 I C 2.650 178.787 176.117 0.035 0.000 1.091 334 I CA 1.499 62.833 61.300 0.057 0.000 1.368 334 I CB -0.341 37.526 38.000 -0.222 0.000 1.058 334 I HN 0.425 nan 8.210 nan 0.000 0.410 335 E N 2.039 122.209 120.200 -0.050 0.000 2.058 335 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 335 E C 1.721 178.305 176.600 -0.026 0.000 0.997 335 E CA 1.513 57.878 56.400 -0.058 0.000 0.801 335 E CB 0.025 29.655 29.700 -0.117 0.000 0.746 335 E HN 0.467 nan 8.360 nan 0.000 0.450 336 K N 0.511 120.892 120.400 -0.033 0.000 2.487 336 K HA 0.037 4.357 4.320 -0.000 0.000 0.192 336 K C 0.093 176.753 176.600 0.099 0.000 1.027 336 K CA 0.033 56.336 56.287 0.026 0.000 1.054 336 K CB 0.140 32.653 32.500 0.022 0.000 0.824 336 K HN 0.072 nan 8.250 nan 0.000 0.510 337 K N -0.391 120.060 120.400 0.085 0.000 3.148 337 K HA -0.240 4.080 4.320 -0.000 0.000 0.267 337 K C 0.646 177.189 176.600 -0.096 0.000 0.996 337 K CA 0.311 56.620 56.287 0.036 0.000 0.737 337 K CB -1.581 31.013 32.500 0.157 0.000 1.308 337 K HN 0.360 nan 8.250 nan 0.000 0.470 338 A N -0.118 122.682 122.820 -0.034 0.000 2.021 338 A HA 0.439 4.759 4.320 -0.000 0.000 0.216 338 A C 0.877 178.374 177.584 -0.145 0.000 1.163 338 A CA 1.332 53.414 52.037 0.076 0.000 0.676 338 A CB 0.268 19.394 19.000 0.210 0.000 0.818 338 A HN 0.680 nan 8.150 nan 0.000 0.453 339 A N -0.712 121.722 122.820 -0.644 0.000 2.557 339 A HA 0.565 4.884 4.320 -0.000 0.000 0.292 339 A C -1.228 175.525 177.584 -1.385 0.000 1.139 339 A CA 0.221 51.767 52.037 -0.819 0.000 0.665 339 A CB 0.452 19.167 19.000 -0.475 0.000 1.285 339 A HN 0.263 nan 8.150 nan 0.000 0.433 340 D N -1.349 118.404 120.400 -1.079 0.000 2.636 340 D HA 0.551 5.190 4.640 -0.000 0.000 0.270 340 D C -0.254 175.598 176.300 -0.748 0.000 1.430 340 D CA 0.687 53.997 54.000 -1.150 0.000 0.796 340 D CB 0.548 41.267 40.800 -0.135 0.000 1.117 340 D HN 1.293 nan 8.370 nan 0.000 0.480 341 A N 0.061 122.413 122.820 -0.780 0.000 2.566 341 A HA 0.584 4.904 4.320 -0.000 0.000 0.297 341 A C -2.047 175.514 177.584 -0.039 0.000 1.059 341 A CA -0.928 51.026 52.037 -0.137 0.000 0.691 341 A CB 1.330 20.346 19.000 0.027 0.000 1.282 341 A HN 0.187 nan 8.150 nan 0.000 0.401 342 L N 1.732 123.077 121.223 0.204 0.000 2.309 342 L HA 0.770 5.109 4.340 -0.000 0.000 0.282 342 L C -0.902 176.003 176.870 0.059 0.000 1.036 342 L CA -0.655 54.300 54.840 0.192 0.000 0.806 342 L CB 1.341 43.510 42.059 0.183 0.000 1.220 342 L HN 0.696 nan 8.230 nan 0.000 0.429 343 L N 5.659 126.907 121.223 0.042 0.000 2.278 343 L HA 0.417 4.757 4.340 -0.000 0.000 0.287 343 L C -0.760 176.127 176.870 0.029 0.000 1.072 343 L CA 0.249 55.102 54.840 0.022 0.000 0.819 343 L CB 0.817 42.888 42.059 0.021 0.000 1.176 343 L HN 0.714 nan 8.230 nan 0.000 0.435 344 L N 6.237 127.478 121.223 0.029 0.000 2.264 344 L HA 0.468 4.808 4.340 -0.000 0.000 0.289 344 L C -0.760 176.143 176.870 0.054 0.000 1.044 344 L CA -0.326 54.533 54.840 0.032 0.000 0.807 344 L CB 0.259 42.333 42.059 0.025 0.000 1.192 344 L HN 0.620 nan 8.230 nan 0.000 0.425 345 K N 4.558 124.986 120.400 0.045 0.000 2.604 345 K HA 0.190 4.510 4.320 -0.000 0.000 0.247 345 K C 0.856 177.476 176.600 0.034 0.000 0.956 345 K CA -0.493 55.824 56.287 0.050 0.000 0.896 345 K CB 1.989 34.514 32.500 0.041 0.000 1.131 345 K HN 0.560 nan 8.250 nan 0.000 0.440 346 V N 0.101 120.040 119.914 0.042 0.000 2.380 346 V HA -0.313 3.807 4.120 -0.000 0.000 0.251 346 V C 1.677 177.760 176.094 -0.019 0.000 1.063 346 V CA 2.077 64.382 62.300 0.009 0.000 1.055 346 V CB -0.548 31.265 31.823 -0.016 0.000 0.657 346 V HN 0.907 nan 8.190 nan 0.000 0.455 347 N N 0.115 118.804 118.700 -0.018 0.000 2.467 347 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 347 N C 1.732 177.229 175.510 -0.021 0.000 1.106 347 N CA 1.197 54.228 53.050 -0.031 0.000 0.892 347 N CB -0.148 38.316 38.487 -0.039 0.000 0.969 347 N HN 0.709 nan 8.380 nan 0.000 0.454 348 Q N -0.346 119.449 119.800 -0.007 0.000 2.187 348 Q HA 0.051 4.391 4.340 -0.000 0.000 0.199 348 Q C 1.353 177.351 176.000 -0.004 0.000 0.957 348 Q CA 0.838 56.639 55.803 -0.003 0.000 0.857 348 Q CB 0.192 28.934 28.738 0.007 0.000 0.929 348 Q HN 0.321 nan 8.270 nan 0.000 0.453 349 I N -1.896 118.669 120.570 -0.008 0.000 3.172 349 I HA 0.165 4.335 4.170 -0.000 0.000 0.278 349 I C 1.212 177.318 176.117 -0.018 0.000 1.174 349 I CA 1.450 62.743 61.300 -0.011 0.000 1.445 349 I CB 0.759 38.752 38.000 -0.011 0.000 1.175 349 I HN 0.239 nan 8.210 nan 0.000 0.447 350 G N 0.105 108.890 108.800 -0.026 0.000 2.218 350 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.216 350 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.216 350 G C 0.532 175.410 174.900 -0.035 0.000 0.994 350 G CA 0.311 45.390 45.100 -0.035 0.000 0.637 350 G HN 0.726 nan 8.290 nan 0.000 0.505 351 T N -2.142 112.397 114.554 -0.025 0.000 2.903 351 T HA 0.653 5.003 4.350 -0.000 0.000 0.299 351 T C 0.913 175.605 174.700 -0.014 0.000 1.093 351 T CA 0.010 62.100 62.100 -0.017 0.000 1.002 351 T CB 2.090 70.963 68.868 0.007 0.000 1.127 351 T HN 0.880 nan 8.240 nan 0.000 0.488 352 L N 2.032 123.248 121.223 -0.012 0.000 2.083 352 L HA 0.088 4.428 4.340 -0.000 0.000 0.209 352 L C 2.513 179.407 176.870 0.040 0.000 1.083 352 L CA 1.909 56.763 54.840 0.023 0.000 0.752 352 L CB -1.324 40.762 42.059 0.045 0.000 0.899 352 L HN 0.858 nan 8.230 nan 0.000 0.433 353 S N -0.339 115.380 115.700 0.032 0.000 2.356 353 S HA -0.196 4.274 4.470 -0.000 0.000 0.223 353 S C 1.759 176.366 174.600 0.012 0.000 1.032 353 S CA 1.622 59.837 58.200 0.025 0.000 1.005 353 S CB -0.227 62.989 63.200 0.027 0.000 0.867 353 S HN 0.582 nan 8.310 nan 0.000 0.449 354 E N 0.824 121.027 120.200 0.006 0.000 2.150 354 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 354 E C 2.232 178.827 176.600 -0.008 0.000 0.985 354 E CA 1.149 57.545 56.400 -0.007 0.000 0.814 354 E CB -0.108 29.585 29.700 -0.011 0.000 0.752 354 E HN 0.343 nan 8.360 nan 0.000 0.466 355 S N 0.949 116.652 115.700 0.005 0.000 2.382 355 S HA -0.110 4.359 4.470 -0.000 0.000 0.228 355 S C 2.035 176.643 174.600 0.013 0.000 1.027 355 S CA 0.752 58.959 58.200 0.012 0.000 0.991 355 S CB -0.126 63.096 63.200 0.038 0.000 0.823 355 S HN 0.202 nan 8.310 nan 0.000 0.469 356 I N 1.234 121.821 120.570 0.027 0.000 2.315 356 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 356 I C 2.504 178.622 176.117 0.001 0.000 1.117 356 I CA 1.058 62.376 61.300 0.030 0.000 1.404 356 I CB -0.184 37.838 38.000 0.037 0.000 1.071 356 I HN 0.172 nan 8.210 nan 0.000 0.419 357 K N 1.743 122.136 120.400 -0.012 0.000 2.063 357 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 357 K C 2.036 178.597 176.600 -0.066 0.000 1.048 357 K CA 1.837 58.105 56.287 -0.032 0.000 0.928 357 K CB -0.474 32.007 32.500 -0.032 0.000 0.713 357 K HN 0.264 nan 8.250 nan 0.000 0.442 358 A N 0.492 123.269 122.820 -0.072 0.000 1.908 358 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 358 A C 2.395 179.881 177.584 -0.163 0.000 1.181 358 A CA 2.292 54.263 52.037 -0.109 0.000 0.627 358 A CB -1.141 17.813 19.000 -0.077 0.000 0.818 358 A HN 0.445 nan 8.150 nan 0.000 0.445 359 A N -0.949 121.783 122.820 -0.147 0.000 1.898 359 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 359 A C 2.128 179.536 177.584 -0.292 0.000 1.181 359 A CA 1.625 53.489 52.037 -0.287 0.000 0.620 359 A CB -0.547 18.354 19.000 -0.165 0.000 0.819 359 A HN 0.648 nan 8.150 nan 0.000 0.442 360 Q N -0.363 119.395 119.800 -0.070 0.000 2.050 360 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 360 Q C 1.567 177.543 176.000 -0.040 0.000 0.980 360 Q CA 1.542 57.367 55.803 0.037 0.000 0.840 360 Q CB -0.240 28.521 28.738 0.039 0.000 0.898 360 Q HN 0.571 nan 8.270 nan 0.000 0.424 361 D N -0.024 120.304 120.400 -0.120 0.000 2.123 361 D HA -0.122 4.518 4.640 -0.000 0.000 0.196 361 D C 2.021 178.158 176.300 -0.272 0.000 0.992 361 D CA 1.337 55.229 54.000 -0.178 0.000 0.833 361 D CB -0.189 40.488 40.800 -0.206 0.000 0.954 361 D HN 0.083 nan 8.370 nan 0.000 0.455 362 S N 0.276 115.768 115.700 -0.346 0.000 2.348 362 S HA -0.134 4.336 4.470 -0.000 0.000 0.221 362 S C 1.837 176.337 174.600 -0.166 0.000 1.033 362 S CA 0.676 58.629 58.200 -0.412 0.000 1.010 362 S CB -0.487 62.519 63.200 -0.323 0.000 0.891 362 S HN 0.166 nan 8.310 nan 0.000 0.442 363 F N 2.085 122.026 119.950 -0.014 0.000 2.202 363 F HA -0.018 4.509 4.527 -0.000 0.000 0.301 363 F C 2.591 178.385 175.800 -0.010 0.000 1.082 363 F CA 0.189 58.202 58.000 0.022 0.000 1.313 363 F CB -1.197 37.808 39.000 0.007 0.000 1.024 363 F HN 0.198 nan 8.300 nan 0.000 0.495 364 A N -0.321 122.571 122.820 0.120 0.000 2.015 364 A HA 0.094 4.413 4.320 -0.000 0.000 0.219 364 A C 2.235 179.823 177.584 0.006 0.000 1.163 364 A CA 1.352 53.414 52.037 0.041 0.000 0.646 364 A CB -1.019 17.977 19.000 -0.006 0.000 0.806 364 A HN 0.238 nan 8.150 nan 0.000 0.448 365 A N -1.785 121.003 122.820 -0.053 0.000 2.278 365 A HA 0.428 4.748 4.320 -0.000 0.000 0.212 365 A C 1.720 179.397 177.584 0.155 0.000 1.213 365 A CA 1.086 53.090 52.037 -0.056 0.000 0.840 365 A CB -0.937 17.850 19.000 -0.354 0.000 0.866 365 A HN 1.801 nan 8.150 nan 0.000 0.489 366 G N -2.510 106.422 108.800 0.219 0.000 2.179 366 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 366 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 366 G C -0.025 175.228 174.900 0.588 0.000 0.977 366 G CA 0.275 45.583 45.100 0.346 0.000 0.641 366 G HN 0.367 nan 8.290 nan 0.000 0.533 367 W N 0.535 121.941 121.300 0.176 0.000 2.086 367 W HA 0.640 5.300 4.660 -0.000 0.000 0.355 367 W C 1.059 177.590 176.519 0.020 0.000 1.313 367 W CA 0.146 57.559 57.345 0.113 0.000 1.358 367 W CB 0.230 29.697 29.460 0.011 0.000 1.166 367 W HN 0.428 nan 8.180 nan 0.000 0.630 368 G N -0.352 108.484 108.800 0.061 0.000 2.521 368 G HA2 0.607 4.567 3.960 -0.000 0.000 0.323 368 G HA3 0.607 4.567 3.960 -0.000 0.000 0.323 368 G C -1.805 173.127 174.900 0.054 0.000 1.211 368 G CA -0.713 44.339 45.100 -0.079 0.000 0.979 368 G HN 0.248 nan 8.290 nan 0.000 0.490 369 V N 0.889 120.850 119.914 0.078 0.000 2.567 369 V HA 0.376 4.496 4.120 -0.000 0.000 0.298 369 V C -0.314 175.815 176.094 0.058 0.000 1.047 369 V CA -0.458 61.828 62.300 -0.024 0.000 0.880 369 V CB 1.628 33.286 31.823 -0.276 0.000 1.009 369 V HN 0.803 nan 8.190 nan 0.000 0.429 370 M N 5.661 125.271 119.600 0.016 0.000 2.055 370 M HA 0.508 4.988 4.480 -0.000 0.000 0.347 370 M C -0.805 175.503 176.300 0.013 0.000 1.123 370 M CA -0.420 54.875 55.300 -0.009 0.000 1.035 370 M CB 1.162 33.685 32.600 -0.128 0.000 1.484 370 M HN 0.488 nan 8.290 nan 0.000 0.428 371 V N 3.836 123.778 119.914 0.046 0.000 2.763 371 V HA 0.149 4.268 4.120 -0.000 0.000 0.306 371 V C 0.275 176.404 176.094 0.058 0.000 1.059 371 V CA 0.284 62.621 62.300 0.062 0.000 1.138 371 V CB 1.254 33.123 31.823 0.078 0.000 0.940 371 V HN 0.911 nan 8.190 nan 0.000 0.489 372 S N 2.694 118.448 115.700 0.090 0.000 2.569 372 S HA 0.566 5.036 4.470 -0.000 0.000 0.280 372 S C -0.466 174.267 174.600 0.223 0.000 1.111 372 S CA -0.844 57.443 58.200 0.144 0.000 0.887 372 S CB 1.129 64.430 63.200 0.168 0.000 1.095 372 S HN 0.958 nan 8.310 nan 0.000 0.476 373 H N 1.535 120.638 119.070 0.055 0.000 2.408 373 H HA 0.698 5.253 4.556 -0.000 0.000 0.345 373 H C -0.059 175.290 175.328 0.035 0.000 1.547 373 H CA -1.193 54.884 56.048 0.048 0.000 1.447 373 H CB 0.412 30.198 29.762 0.041 0.000 1.686 373 H HN 0.275 nan 8.280 nan 0.000 0.625 374 R N -0.179 120.292 120.500 -0.048 0.000 2.828 374 R HA 0.126 4.466 4.340 -0.000 0.000 0.264 374 R C 1.118 177.174 176.300 -0.407 0.000 1.022 374 R CA -0.317 55.671 56.100 -0.187 0.000 1.021 374 R CB 1.338 31.588 30.300 -0.085 0.000 1.163 374 R HN 0.912 nan 8.270 nan 0.000 0.494 375 S N -0.957 114.521 115.700 -0.370 0.000 2.474 375 S HA -0.012 4.458 4.470 -0.000 0.000 0.235 375 S C 1.028 175.463 174.600 -0.275 0.000 0.997 375 S CA 0.551 58.465 58.200 -0.477 0.000 0.949 375 S CB 0.030 62.766 63.200 -0.774 0.000 0.766 375 S HN 0.672 nan 8.310 nan 0.000 0.517 376 G N 1.507 110.204 108.800 -0.172 0.000 2.800 376 G HA2 0.526 4.485 3.960 -0.000 0.000 0.340 376 G HA3 0.526 4.485 3.960 -0.000 0.000 0.340 376 G C -0.431 174.431 174.900 -0.063 0.000 1.089 376 G CA -0.419 44.625 45.100 -0.094 0.000 1.144 376 G HN 0.108 nan 8.290 nan 0.000 0.461 377 E N 0.406 120.584 120.200 -0.037 0.000 2.285 377 E HA 0.688 5.037 4.350 -0.000 0.000 0.254 377 E C 0.486 177.099 176.600 0.021 0.000 1.011 377 E CA -0.345 56.060 56.400 0.008 0.000 0.873 377 E CB 2.140 31.872 29.700 0.054 0.000 1.229 377 E HN 0.531 nan 8.360 nan 0.000 0.422 378 T N -2.842 111.734 114.554 0.037 0.000 2.693 378 T HA 0.232 4.582 4.350 -0.000 0.000 0.278 378 T C 0.707 175.438 174.700 0.052 0.000 0.994 378 T CA -0.628 61.496 62.100 0.040 0.000 1.033 378 T CB 0.818 69.703 68.868 0.028 0.000 1.342 378 T HN 0.393 nan 8.240 nan 0.000 0.538 379 E N 0.396 120.627 120.200 0.051 0.000 2.511 379 E HA -0.033 4.317 4.350 -0.000 0.000 0.196 379 E C 0.187 176.824 176.600 0.062 0.000 1.066 379 E CA -0.029 56.403 56.400 0.053 0.000 0.871 379 E CB -0.348 29.381 29.700 0.048 0.000 0.863 379 E HN 0.729 nan 8.360 nan 0.000 0.520 380 D N 2.084 122.525 120.400 0.068 0.000 2.443 380 D HA -0.045 4.595 4.640 -0.000 0.000 0.239 380 D C 0.327 176.693 176.300 0.110 0.000 1.136 380 D CA 0.937 54.992 54.000 0.091 0.000 0.879 380 D CB 1.062 41.914 40.800 0.087 0.000 1.195 380 D HN 0.129 nan 8.370 nan 0.000 0.443 381 T N 0.948 115.579 114.554 0.129 0.000 3.182 381 T HA 0.035 4.385 4.350 -0.000 0.000 0.277 381 T C 1.561 176.339 174.700 0.131 0.000 1.013 381 T CA -0.583 61.582 62.100 0.109 0.000 0.900 381 T CB -0.467 68.441 68.868 0.066 0.000 1.098 381 T HN 0.386 nan 8.240 nan 0.000 0.543 382 F N 3.428 123.407 119.950 0.049 0.000 2.085 382 F HA -0.178 4.349 4.527 -0.001 0.000 0.299 382 F C 1.910 177.743 175.800 0.054 0.000 1.096 382 F CA 2.200 60.232 58.000 0.054 0.000 1.227 382 F CB -0.297 38.733 39.000 0.050 0.000 0.983 382 F HN 0.366 nan 8.300 nan 0.000 0.482 383 I N -1.262 119.441 120.570 0.220 0.000 2.423 383 I HA -0.158 4.012 4.170 -0.000 0.000 0.254 383 I C 2.292 178.408 176.117 -0.001 0.000 1.151 383 I CA 1.406 62.782 61.300 0.128 0.000 1.421 383 I CB -1.278 36.821 38.000 0.164 0.000 1.079 383 I HN 0.144 nan 8.210 nan 0.000 0.431 384 A N 1.767 124.572 122.820 -0.025 0.000 1.873 384 A HA -0.213 4.107 4.320 -0.000 0.000 0.215 384 A C 1.820 179.336 177.584 -0.114 0.000 1.186 384 A CA 2.224 54.218 52.037 -0.071 0.000 0.616 384 A CB -0.934 18.024 19.000 -0.071 0.000 0.823 384 A HN 0.502 nan 8.150 nan 0.000 0.442 385 D N -0.726 119.590 120.400 -0.141 0.000 2.178 385 D HA -0.102 4.538 4.640 -0.000 0.000 0.201 385 D C 1.769 177.981 176.300 -0.147 0.000 0.980 385 D CA 1.011 54.942 54.000 -0.115 0.000 0.842 385 D CB -0.117 40.591 40.800 -0.153 0.000 0.948 385 D HN 0.332 nan 8.370 nan 0.000 0.472 386 L N 0.224 121.283 121.223 -0.275 0.000 2.017 386 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 386 L C 2.156 179.020 176.870 -0.010 0.000 1.073 386 L CA 1.281 56.024 54.840 -0.163 0.000 0.745 386 L CB -0.641 41.363 42.059 -0.091 0.000 0.894 386 L HN 0.008 nan 8.230 nan 0.000 0.432 387 V N -1.210 118.704 119.914 -0.001 0.000 2.392 387 V HA -0.244 3.876 4.120 -0.000 0.000 0.249 387 V C 2.379 178.498 176.094 0.043 0.000 1.059 387 V CA 1.969 64.294 62.300 0.042 0.000 1.051 387 V CB -0.018 31.830 31.823 0.042 0.000 0.658 387 V HN 0.347 nan 8.190 nan 0.000 0.455 388 V N 0.554 120.463 119.914 -0.008 0.000 2.379 388 V HA -0.063 4.057 4.120 -0.000 0.000 0.245 388 V C 2.700 178.873 176.094 0.131 0.000 1.044 388 V CA 1.916 64.217 62.300 0.001 0.000 1.036 388 V CB -1.321 30.390 31.823 -0.186 0.000 0.664 388 V HN 0.623 nan 8.190 nan 0.000 0.453 389 G N -0.031 108.854 108.800 0.140 0.000 2.440 389 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 389 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 389 G C 1.487 176.469 174.900 0.136 0.000 1.154 389 G CA 0.837 46.050 45.100 0.188 0.000 0.767 389 G HN 0.492 nan 8.290 nan 0.000 0.552 390 L N -0.802 120.495 121.223 0.124 0.000 2.552 390 L HA 0.212 4.552 4.340 -0.000 0.000 0.227 390 L C 1.698 178.650 176.870 0.136 0.000 1.146 390 L CA 0.145 55.084 54.840 0.164 0.000 0.858 390 L CB -0.028 42.166 42.059 0.225 0.000 0.969 390 L HN 0.254 nan 8.230 nan 0.000 0.451 391 R N 0.432 120.990 120.500 0.096 0.000 3.516 391 R HA -0.236 4.103 4.340 -0.000 0.000 0.271 391 R C 1.499 177.813 176.300 0.024 0.000 1.098 391 R CA 0.692 56.812 56.100 0.034 0.000 0.732 391 R CB -1.448 28.817 30.300 -0.058 0.000 1.152 391 R HN 0.519 nan 8.270 nan 0.000 0.455 392 T N -3.974 110.672 114.554 0.153 0.000 2.904 392 T HA 0.064 4.413 4.350 -0.000 0.000 0.267 392 T C 1.559 176.359 174.700 0.166 0.000 1.059 392 T CA 1.628 63.879 62.100 0.252 0.000 1.137 392 T CB 0.169 69.246 68.868 0.347 0.000 0.879 392 T HN 0.939 nan 8.240 nan 0.000 0.467 393 G N 1.189 110.066 108.800 0.128 0.000 2.176 393 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.253 393 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.253 393 G C -0.107 174.913 174.900 0.200 0.000 0.979 393 G CA 0.323 45.496 45.100 0.123 0.000 0.641 393 G HN 1.126 nan 8.290 nan 0.000 0.530 394 Q N -1.140 118.785 119.800 0.208 0.000 2.403 394 Q HA 0.781 5.121 4.340 -0.000 0.000 0.267 394 Q C -1.129 174.959 176.000 0.146 0.000 0.991 394 Q CA -1.074 54.870 55.803 0.235 0.000 0.906 394 Q CB 2.151 31.042 28.738 0.254 0.000 1.422 394 Q HN 0.827 nan 8.270 nan 0.000 0.400 395 I N 1.283 121.958 120.570 0.175 0.000 2.894 395 I HA 0.581 4.750 4.170 -0.000 0.000 0.302 395 I C -1.998 174.176 176.117 0.095 0.000 1.188 395 I CA -0.859 60.499 61.300 0.097 0.000 1.014 395 I CB 2.514 40.569 38.000 0.092 0.000 1.242 395 I HN 0.819 nan 8.210 nan 0.000 0.430 396 K N 3.363 123.756 120.400 -0.012 0.000 2.426 396 K HA 0.507 4.827 4.320 -0.000 0.000 0.254 396 K C -0.853 175.489 176.600 -0.431 0.000 0.936 396 K CA -0.638 55.599 56.287 -0.084 0.000 0.801 396 K CB 2.006 34.498 32.500 -0.012 0.000 1.139 396 K HN 0.498 nan 8.250 nan 0.000 0.424 397 T N 1.438 115.660 114.554 -0.552 0.000 3.641 397 T HA 0.368 4.717 4.350 -0.000 0.000 0.313 397 T C 0.071 174.485 174.700 -0.475 0.000 0.952 397 T CA 0.419 62.017 62.100 -0.837 0.000 1.004 397 T CB -0.269 68.449 68.868 -0.250 0.000 1.209 397 T HN 1.184 nan 8.240 nan 0.000 0.493 398 G N 1.125 109.736 108.800 -0.315 0.000 2.498 398 G HA2 0.368 4.328 3.960 -0.000 0.000 0.651 398 G HA3 0.368 4.328 3.960 -0.000 0.000 0.651 398 G C -0.078 174.819 174.900 -0.005 0.000 1.284 398 G CA -0.382 44.758 45.100 0.066 0.000 0.950 398 G HN 0.870 nan 8.290 nan 0.000 0.511 399 A N 0.285 123.097 122.820 -0.014 0.000 2.327 399 A HA 0.732 5.051 4.320 -0.000 0.000 0.255 399 A C -1.257 176.169 177.584 -0.263 0.000 1.099 399 A CA -0.202 51.739 52.037 -0.159 0.000 0.801 399 A CB 0.264 19.145 19.000 -0.198 0.000 1.062 399 A HN 0.824 nan 8.150 nan 0.000 0.496 400 P HA 0.401 nan 4.420 nan 0.000 0.214 400 P C -0.771 176.286 177.300 -0.405 0.000 1.807 400 P CA 0.532 63.425 63.100 -0.344 0.000 0.921 400 P CB -0.169 31.340 31.700 -0.318 0.000 1.835 401 A N 1.051 123.677 122.820 -0.323 0.000 2.547 401 A HA 0.751 5.071 4.320 -0.000 0.000 0.297 401 A C -0.711 176.836 177.584 -0.061 0.000 1.056 401 A CA -0.715 51.216 52.037 -0.177 0.000 0.688 401 A CB 1.301 20.183 19.000 -0.196 0.000 1.282 401 A HN 0.169 nan 8.150 nan 0.000 0.400 402 R N 1.266 121.763 120.500 -0.004 0.000 1.245 402 R HA -0.101 4.238 4.340 -0.000 0.000 0.421 402 R C 0.511 176.822 176.300 0.018 0.000 1.297 402 R CA 0.498 56.608 56.100 0.018 0.000 0.855 402 R CB -1.540 28.774 30.300 0.024 0.000 2.846 402 R HN 0.835 nan 8.270 nan 0.000 0.507 403 S N 1.693 117.409 115.700 0.026 0.000 2.442 403 S HA -0.171 4.299 4.470 -0.000 0.000 0.236 403 S C 1.706 176.329 174.600 0.037 0.000 1.007 403 S CA 1.435 59.653 58.200 0.029 0.000 0.965 403 S CB -0.064 63.155 63.200 0.031 0.000 0.773 403 S HN 0.734 nan 8.310 nan 0.000 0.504 404 E N 1.493 121.718 120.200 0.042 0.000 2.401 404 E HA -0.147 4.202 4.350 -0.000 0.000 0.199 404 E C 1.387 178.029 176.600 0.069 0.000 1.023 404 E CA 0.711 57.144 56.400 0.054 0.000 0.859 404 E CB -0.084 29.647 29.700 0.051 0.000 0.780 404 E HN 0.368 nan 8.360 nan 0.000 0.523 405 R N 0.135 120.669 120.500 0.056 0.000 2.087 405 R HA 0.194 4.534 4.340 -0.000 0.000 0.213 405 R C 2.463 178.781 176.300 0.029 0.000 1.137 405 R CA 0.117 56.247 56.100 0.050 0.000 1.022 405 R CB -0.814 29.503 30.300 0.028 0.000 0.920 405 R HN 0.158 nan 8.270 nan 0.000 0.451 406 L N 1.552 122.786 121.223 0.018 0.000 2.131 406 L HA -0.013 4.327 4.340 -0.000 0.000 0.210 406 L C 2.421 179.313 176.870 0.037 0.000 1.092 406 L CA 1.717 56.570 54.840 0.021 0.000 0.759 406 L CB -1.634 40.434 42.059 0.014 0.000 0.903 406 L HN 0.134 nan 8.230 nan 0.000 0.435 407 A N 0.071 122.915 122.820 0.039 0.000 1.917 407 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 407 A C 2.388 179.997 177.584 0.041 0.000 1.182 407 A CA 1.901 53.963 52.037 0.041 0.000 0.633 407 A CB -0.328 18.699 19.000 0.046 0.000 0.819 407 A HN 0.264 nan 8.150 nan 0.000 0.448 408 K N -0.144 120.283 120.400 0.044 0.000 2.025 408 K HA 0.077 4.397 4.320 -0.000 0.000 0.207 408 K C 1.768 178.388 176.600 0.033 0.000 1.049 408 K CA 1.165 57.473 56.287 0.034 0.000 0.933 408 K CB -0.529 31.993 32.500 0.037 0.000 0.714 408 K HN 0.486 nan 8.250 nan 0.000 0.438 409 L N 1.047 122.315 121.223 0.074 0.000 2.083 409 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 409 L C 1.756 178.715 176.870 0.147 0.000 1.083 409 L CA 1.017 55.956 54.840 0.165 0.000 0.752 409 L CB -0.495 41.652 42.059 0.147 0.000 0.899 409 L HN 0.244 nan 8.230 nan 0.000 0.433 410 N N -0.287 118.460 118.700 0.078 0.000 2.171 410 N HA -0.201 4.539 4.740 -0.000 0.000 0.184 410 N C 1.885 177.407 175.510 0.019 0.000 1.021 410 N CA 0.955 54.040 53.050 0.059 0.000 0.854 410 N CB -0.218 38.294 38.487 0.042 0.000 0.994 410 N HN 0.272 nan 8.380 nan 0.000 0.426 411 Q N 1.024 120.823 119.800 -0.002 0.000 2.135 411 Q HA 0.020 4.360 4.340 -0.000 0.000 0.204 411 Q C 1.925 177.855 176.000 -0.117 0.000 0.981 411 Q CA 1.165 56.947 55.803 -0.035 0.000 0.856 411 Q CB -0.336 28.389 28.738 -0.021 0.000 0.902 411 Q HN 0.376 nan 8.270 nan 0.000 0.425 412 L N -0.580 120.521 121.223 -0.203 0.000 2.093 412 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 412 L C 2.280 178.897 176.870 -0.422 0.000 1.085 412 L CA 0.719 55.261 54.840 -0.496 0.000 0.755 412 L CB -0.405 41.037 42.059 -1.027 0.000 0.904 412 L HN 0.277 nan 8.230 nan 0.000 0.435 413 L N -0.583 120.568 121.223 -0.121 0.000 2.042 413 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 413 L C 2.906 179.754 176.870 -0.036 0.000 1.076 413 L CA 1.388 56.254 54.840 0.042 0.000 0.749 413 L CB -0.478 41.648 42.059 0.111 0.000 0.893 413 L HN 0.251 nan 8.230 nan 0.000 0.432 414 R N -0.033 120.436 120.500 -0.051 0.000 2.073 414 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 414 R C 2.256 178.507 176.300 -0.081 0.000 1.134 414 R CA 1.454 57.528 56.100 -0.043 0.000 0.952 414 R CB -0.478 29.811 30.300 -0.019 0.000 0.850 414 R HN 0.328 nan 8.270 nan 0.000 0.433 415 I N 0.791 121.265 120.570 -0.160 0.000 2.179 415 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 415 I C 2.703 178.644 176.117 -0.293 0.000 1.088 415 I CA 1.378 62.505 61.300 -0.289 0.000 1.357 415 I CB -0.304 37.411 38.000 -0.474 0.000 1.051 415 I HN 0.290 nan 8.210 nan 0.000 0.409 416 E N 1.011 121.067 120.200 -0.240 0.000 2.058 416 E HA -0.321 4.029 4.350 -0.000 0.000 0.194 416 E C 2.129 178.679 176.600 -0.084 0.000 0.997 416 E CA 1.715 58.025 56.400 -0.150 0.000 0.801 416 E CB -0.089 29.567 29.700 -0.072 0.000 0.746 416 E HN 0.465 nan 8.360 nan 0.000 0.450 417 E N 0.387 120.552 120.200 -0.060 0.000 2.058 417 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 417 E C 2.087 178.670 176.600 -0.029 0.000 0.997 417 E CA 1.510 57.893 56.400 -0.029 0.000 0.801 417 E CB -0.094 29.597 29.700 -0.016 0.000 0.746 417 E HN 0.324 nan 8.360 nan 0.000 0.450 418 E N 0.184 120.360 120.200 -0.040 0.000 2.085 418 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 418 E C 2.244 178.833 176.600 -0.018 0.000 0.994 418 E CA 1.223 57.614 56.400 -0.015 0.000 0.801 418 E CB -0.057 29.650 29.700 0.013 0.000 0.743 418 E HN 0.315 nan 8.360 nan 0.000 0.453 419 L N -0.331 120.846 121.223 -0.076 0.000 2.109 419 L HA 0.041 4.381 4.340 -0.000 0.000 0.207 419 L C 1.801 178.669 176.870 -0.003 0.000 1.086 419 L CA 0.499 55.302 54.840 -0.061 0.000 0.760 419 L CB -0.847 41.109 42.059 -0.171 0.000 0.910 419 L HN 0.468 nan 8.230 nan 0.000 0.437 420 G N 1.503 110.298 108.800 -0.008 0.000 2.611 420 G HA2 -0.470 3.489 3.960 -0.000 0.000 0.301 420 G HA3 -0.470 3.489 3.960 -0.000 0.000 0.301 420 G C 0.601 175.519 174.900 0.029 0.000 1.233 420 G CA 0.561 45.669 45.100 0.013 0.000 0.993 420 G HN 0.520 nan 8.290 nan 0.000 0.553 421 D N 1.370 121.792 120.400 0.037 0.000 2.378 421 D HA 0.002 4.642 4.640 -0.000 0.000 0.227 421 D C 1.505 177.843 176.300 0.063 0.000 1.012 421 D CA 1.224 55.252 54.000 0.046 0.000 0.905 421 D CB -0.777 40.046 40.800 0.038 0.000 0.895 421 D HN 0.541 nan 8.370 nan 0.000 0.532 422 N N -0.299 118.449 118.700 0.080 0.000 2.370 422 N HA 0.289 5.028 4.740 -0.000 0.000 0.198 422 N C -0.095 175.518 175.510 0.172 0.000 1.156 422 N CA 0.218 53.344 53.050 0.127 0.000 0.839 422 N CB 0.600 39.193 38.487 0.177 0.000 0.989 422 N HN 0.259 nan 8.380 nan 0.000 0.468 423 A N 0.062 122.954 122.820 0.119 0.000 2.539 423 A HA 0.686 5.006 4.320 -0.000 0.000 0.296 423 A C -0.719 176.930 177.584 0.109 0.000 1.073 423 A CA -0.725 51.389 52.037 0.130 0.000 0.700 423 A CB 1.122 20.169 19.000 0.079 0.000 1.296 423 A HN -0.024 nan 8.150 nan 0.000 0.405 424 V N -1.395 118.591 119.914 0.121 0.000 2.960 424 V HA 0.872 4.992 4.120 -0.000 0.000 0.315 424 V C -0.608 175.611 176.094 0.207 0.000 1.087 424 V CA -0.916 61.467 62.300 0.138 0.000 0.982 424 V CB 1.618 33.498 31.823 0.095 0.000 1.039 424 V HN 1.089 nan 8.190 nan 0.000 0.437 425 F N 2.608 122.600 119.950 0.070 0.000 2.410 425 F HA 0.760 5.287 4.527 -0.000 0.000 0.349 425 F C 1.238 177.098 175.800 0.100 0.000 1.117 425 F CA -0.190 57.867 58.000 0.095 0.000 1.104 425 F CB 1.538 40.595 39.000 0.096 0.000 1.122 425 F HN 0.882 nan 8.300 nan 0.000 0.483 426 A N 5.133 127.662 122.820 -0.485 0.000 1.892 426 A HA 0.128 4.448 4.320 -0.000 0.000 0.218 426 A C 2.035 179.384 177.584 -0.392 0.000 1.188 426 A CA 1.814 53.635 52.037 -0.360 0.000 0.631 426 A CB -1.624 17.256 19.000 -0.199 0.000 0.822 426 A HN 1.750 nan 8.150 nan 0.000 0.447 427 G N -0.964 107.314 108.800 -0.869 0.000 2.634 427 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.309 427 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.309 427 G C 0.508 175.413 174.900 0.009 0.000 1.265 427 G CA 0.947 45.847 45.100 -0.333 0.000 0.998 427 G HN 0.524 nan 8.290 nan 0.000 0.551 428 E N 1.566 121.817 120.200 0.084 0.000 2.472 428 E HA 0.035 4.385 4.350 -0.000 0.000 0.200 428 E C 1.796 178.441 176.600 0.075 0.000 1.046 428 E CA 0.849 57.343 56.400 0.157 0.000 0.871 428 E CB -0.051 29.709 29.700 0.100 0.000 0.806 428 E HN 0.422 nan 8.360 nan 0.000 0.533 429 N N 0.354 119.067 118.700 0.020 0.000 2.276 429 N HA 0.006 4.746 4.740 -0.000 0.000 0.212 429 N C 0.820 176.278 175.510 -0.087 0.000 1.127 429 N CA -0.025 52.994 53.050 -0.052 0.000 0.834 429 N CB 0.051 38.527 38.487 -0.019 0.000 1.014 429 N HN 0.292 nan 8.380 nan 0.000 0.491 430 F N 1.215 121.172 119.950 0.011 0.000 2.115 430 F HA -0.250 4.277 4.527 -0.000 0.000 0.300 430 F C 2.341 178.182 175.800 0.069 0.000 1.092 430 F CA 1.404 59.432 58.000 0.048 0.000 1.245 430 F CB -0.970 38.115 39.000 0.141 0.000 0.995 430 F HN 0.094 nan 8.300 nan 0.000 0.481 431 H N -0.359 118.114 119.070 -0.995 0.000 2.319 431 H HA -0.166 4.390 4.556 -0.000 0.000 0.297 431 H C 0.853 175.978 175.328 -0.338 0.000 1.097 431 H CA 2.408 58.078 56.048 -0.631 0.000 1.285 431 H CB -0.430 28.827 29.762 -0.842 0.000 1.368 431 H HN 0.396 nan 8.280 nan 0.000 0.495 432 H N -0.722 118.217 119.070 -0.218 0.000 2.507 432 H HA 0.246 4.802 4.556 -0.000 0.000 0.281 432 H C 1.713 176.972 175.328 -0.115 0.000 1.160 432 H CA 0.421 56.374 56.048 -0.157 0.000 0.981 432 H CB 0.114 29.823 29.762 -0.089 0.000 1.665 432 H HN 0.566 nan 8.280 nan 0.000 0.554 433 G N 1.219 110.024 108.800 0.009 0.000 2.469 433 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 433 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 433 G C 1.532 176.378 174.900 -0.091 0.000 1.136 433 G CA 1.009 46.102 45.100 -0.011 0.000 0.759 433 G HN 0.502 nan 8.290 nan 0.000 0.562 434 D N 0.607 120.877 120.400 -0.217 0.000 2.263 434 D HA -0.108 4.532 4.640 -0.000 0.000 0.208 434 D C 1.617 177.740 176.300 -0.296 0.000 0.971 434 D CA 0.802 54.537 54.000 -0.442 0.000 0.867 434 D CB -0.187 39.886 40.800 -1.211 0.000 0.929 434 D HN 0.212 nan 8.370 nan 0.000 0.492 435 K N -0.185 120.105 120.400 -0.184 0.000 2.374 435 K HA 0.127 4.447 4.320 -0.000 0.000 0.196 435 K C 0.970 177.516 176.600 -0.091 0.000 1.023 435 K CA -0.654 55.550 56.287 -0.138 0.000 1.103 435 K CB 0.219 32.637 32.500 -0.136 0.000 0.848 435 K HN 0.156 nan 8.250 nan 0.000 0.528 436 L N 0.000 121.179 121.223 -0.073 0.000 2.949 436 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 436 L CA 0.000 54.813 54.840 -0.044 0.000 0.813 436 L CB 0.000 42.040 42.059 -0.032 0.000 0.961 436 L HN 0.000 nan 8.230 nan 0.000 0.502