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 1gkr_1_B DATA FIRST_RESID 1 DATA SEQUENCE MFDVIVKNCR LVSSDGITEA DILVKDGKVA AISADTSDVE ASRTIDAGGK DATA SEQUENCE FVMPGVVDEH VHIIDMDLKN RYGRFELDSE SAAVGGITTI IEMPITFPPT DATA SEQUENCE TTLDAFLEKK KQAGQRLKVD FALYGGGVPG NLPEIRKMHD AGAVGFXSMM DATA SEQUENCE AASVPGMFDA VSDGELFEIF QEIAACGSVI VVHAENETII QALQKQIKAA DATA SEQUENCE GGKDMAAYEA SQPVFQENEA IQRALLLQKE AGCRLIVLHV SNPDGVELIH DATA SEQUENCE QAQSEGQDVH CESGPQYLNI TTDDAERIGP YMKVAPPVRS AEMNIRLWEQ DATA SEQUENCE LENGLIDTLG SDHGGHPVED KEPGWKDVWK AGNGALGLET SLPMMLTNGV DATA SEQUENCE NKGRLSLERL VEVMCEKPAK LFGIYPQKGT LQVGSDADLL ILDLDIDTKV DATA SEQUENCE DASQFRSLHK YSPFDGMPVT GAPVLTMVRG TVVAEKGEVL VEQGFGQFVT DATA SEQUENCE R VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.000 176.300 -0.500 0.000 1.140 1 M CA 0.000 55.079 55.300 -0.368 0.000 0.988 1 M CB 0.000 32.520 32.600 -0.134 0.000 1.302 2 F N 1.478 121.425 119.950 -0.003 0.000 2.450 2 F HA 0.439 4.966 4.527 -0.000 0.000 0.332 2 F C 0.848 176.647 175.800 -0.002 0.000 1.093 2 F CA -0.208 57.790 58.000 -0.003 0.000 1.003 2 F CB 0.915 39.913 39.000 -0.004 0.000 1.151 2 F HN 0.531 nan 8.300 nan 0.000 0.474 3 D N 0.603 121.120 120.400 0.195 0.000 2.117 3 D HA -0.034 4.606 4.640 -0.000 0.000 0.198 3 D C 0.189 176.547 176.300 0.096 0.000 0.982 3 D CA 1.411 55.476 54.000 0.107 0.000 0.828 3 D CB 0.384 41.234 40.800 0.082 0.000 0.967 3 D HN 0.196 nan 8.370 nan 0.000 0.464 4 V N -0.221 119.755 119.914 0.104 0.000 3.077 4 V HA 0.423 4.543 4.120 -0.000 0.000 0.299 4 V C -1.911 174.193 176.094 0.017 0.000 1.276 4 V CA -0.828 61.504 62.300 0.054 0.000 0.993 4 V CB 2.544 34.385 31.823 0.030 0.000 1.076 4 V HN -0.104 nan 8.190 nan 0.000 0.434 5 I N 5.333 125.899 120.570 -0.007 0.000 2.466 5 I HA 0.511 4.681 4.170 -0.000 0.000 0.289 5 I C -0.880 175.213 176.117 -0.041 0.000 1.026 5 I CA -0.933 60.334 61.300 -0.054 0.000 1.078 5 I CB 2.225 40.191 38.000 -0.057 0.000 1.249 5 I HN 0.414 nan 8.210 nan 0.000 0.429 6 V N 7.119 127.002 119.914 -0.051 0.000 2.328 6 V HA 0.347 4.467 4.120 -0.000 0.000 0.278 6 V C 0.073 176.140 176.094 -0.045 0.000 1.021 6 V CA -0.673 61.605 62.300 -0.038 0.000 0.838 6 V CB 1.020 32.824 31.823 -0.031 0.000 0.999 6 V HN 0.695 nan 8.190 nan 0.000 0.447 7 K N 3.163 123.540 120.400 -0.039 0.000 2.221 7 K HA 0.594 4.914 4.320 -0.000 0.000 0.243 7 K C -0.230 176.346 176.600 -0.040 0.000 0.968 7 K CA -0.921 55.341 56.287 -0.041 0.000 0.846 7 K CB 1.105 33.581 32.500 -0.039 0.000 1.141 7 K HN 0.404 nan 8.250 nan 0.000 0.434 8 N N -0.392 118.282 118.700 -0.042 0.000 2.746 8 N HA -0.132 4.608 4.740 -0.000 0.000 0.250 8 N C -1.044 174.433 175.510 -0.056 0.000 1.055 8 N CA 0.515 53.536 53.050 -0.048 0.000 0.699 8 N CB -2.099 36.360 38.487 -0.048 0.000 0.919 8 N HN 0.600 nan 8.380 nan 0.000 0.548 9 C N 0.446 119.718 119.300 -0.046 0.000 2.365 9 C HA 0.436 4.896 4.460 -0.000 0.000 0.351 9 C C 1.534 176.500 174.990 -0.041 0.000 1.240 9 C CA -0.689 58.305 59.018 -0.040 0.000 2.062 9 C CB 1.368 29.096 27.740 -0.020 0.000 2.387 9 C HN 0.302 nan 8.230 nan 0.000 0.537 10 R N 2.080 122.550 120.500 -0.050 0.000 2.575 10 R HA 0.334 4.674 4.340 -0.000 0.000 0.281 10 R C -0.773 175.594 176.300 0.111 0.000 1.272 10 R CA -0.585 55.499 56.100 -0.026 0.000 1.417 10 R CB 0.119 30.279 30.300 -0.233 0.000 1.121 10 R HN 0.663 nan 8.270 nan 0.000 0.583 11 L N 4.409 125.678 121.223 0.078 0.000 2.500 11 L HA 0.118 4.458 4.340 -0.000 0.000 0.272 11 L C -0.478 176.455 176.870 0.105 0.000 1.149 11 L CA 0.403 55.293 54.840 0.082 0.000 0.897 11 L CB 1.141 43.223 42.059 0.038 0.000 1.178 11 L HN 0.248 nan 8.230 nan 0.000 0.473 12 V N 5.667 125.646 119.914 0.108 0.000 2.483 12 V HA 0.921 5.041 4.120 -0.000 0.000 0.295 12 V C -0.116 176.004 176.094 0.043 0.000 1.035 12 V CA 0.458 62.803 62.300 0.074 0.000 0.896 12 V CB 1.683 33.530 31.823 0.040 0.000 0.986 12 V HN 1.088 nan 8.190 nan 0.000 0.447 13 S N 3.294 119.015 115.700 0.036 0.000 2.740 13 S HA 0.470 4.940 4.470 -0.000 0.000 0.300 13 S C 1.083 175.699 174.600 0.026 0.000 1.147 13 S CA 0.004 58.226 58.200 0.037 0.000 0.871 13 S CB 1.242 64.468 63.200 0.044 0.000 1.173 13 S HN 1.740 nan 8.310 nan 0.000 0.510 14 S N -0.051 115.667 115.700 0.030 0.000 2.442 14 S HA -0.119 4.351 4.470 -0.000 0.000 0.236 14 S C 0.510 175.119 174.600 0.015 0.000 1.007 14 S CA 1.337 59.548 58.200 0.018 0.000 0.965 14 S CB -1.048 62.162 63.200 0.016 0.000 0.773 14 S HN 0.901 nan 8.310 nan 0.000 0.504 15 D N -0.249 120.163 120.400 0.020 0.000 2.772 15 D HA 0.547 5.187 4.640 -0.000 0.000 0.272 15 D C 0.506 176.818 176.300 0.021 0.000 1.314 15 D CA -0.045 53.966 54.000 0.018 0.000 0.835 15 D CB 0.185 40.996 40.800 0.018 0.000 1.080 15 D HN 0.568 nan 8.370 nan 0.000 0.482 16 G N -0.627 108.186 108.800 0.022 0.000 2.326 16 G HA2 0.239 4.199 3.960 -0.000 0.000 0.413 16 G HA3 0.239 4.199 3.960 -0.000 0.000 0.413 16 G C -1.704 173.222 174.900 0.044 0.000 1.444 16 G CA -1.196 43.922 45.100 0.030 0.000 1.002 16 G HN 0.099 nan 8.290 nan 0.000 0.649 17 I N 1.473 122.080 120.570 0.062 0.000 2.336 17 I HA 0.621 4.791 4.170 -0.000 0.000 0.292 17 I C 0.864 177.024 176.117 0.072 0.000 0.991 17 I CA -0.489 60.869 61.300 0.097 0.000 1.227 17 I CB 1.843 39.947 38.000 0.173 0.000 1.366 17 I HN 0.754 nan 8.210 nan 0.000 0.466 18 T N 1.790 116.380 114.554 0.060 0.000 2.841 18 T HA 0.575 4.925 4.350 -0.000 0.000 0.283 18 T C -0.406 174.309 174.700 0.025 0.000 1.000 18 T CA -0.999 61.122 62.100 0.036 0.000 0.977 18 T CB 1.217 70.100 68.868 0.024 0.000 0.979 18 T HN 0.468 nan 8.240 nan 0.000 0.446 19 E N 1.393 121.599 120.200 0.011 0.000 2.105 19 E HA 0.580 4.930 4.350 -0.000 0.000 0.285 19 E C -0.132 176.460 176.600 -0.013 0.000 1.055 19 E CA -0.602 55.795 56.400 -0.006 0.000 0.843 19 E CB 0.977 30.669 29.700 -0.014 0.000 1.067 19 E HN 0.896 nan 8.360 nan 0.000 0.398 20 A N 3.634 126.443 122.820 -0.019 0.000 2.493 20 A HA 0.516 4.836 4.320 -0.000 0.000 0.300 20 A C -1.592 175.970 177.584 -0.037 0.000 1.152 20 A CA -0.956 51.065 52.037 -0.027 0.000 0.643 20 A CB 1.428 20.413 19.000 -0.025 0.000 1.316 20 A HN 0.455 nan 8.150 nan 0.000 0.469 21 D N 0.110 120.480 120.400 -0.050 0.000 2.342 21 D HA 0.648 5.288 4.640 -0.000 0.000 0.243 21 D C -0.900 175.349 176.300 -0.085 0.000 1.019 21 D CA 0.089 54.050 54.000 -0.065 0.000 0.864 21 D CB 1.624 42.381 40.800 -0.073 0.000 1.315 21 D HN 0.448 nan 8.370 nan 0.000 0.468 22 I N 1.691 122.207 120.570 -0.090 0.000 2.378 22 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 22 I C -0.574 175.447 176.117 -0.161 0.000 0.992 22 I CA -0.792 60.444 61.300 -0.107 0.000 1.154 22 I CB 1.268 39.227 38.000 -0.068 0.000 1.315 22 I HN 0.026 nan 8.210 nan 0.000 0.448 23 L N 7.278 128.353 121.223 -0.247 0.000 2.287 23 L HA 0.532 4.871 4.340 -0.000 0.000 0.287 23 L C -0.197 176.529 176.870 -0.241 0.000 1.022 23 L CA -0.603 53.981 54.840 -0.426 0.000 0.814 23 L CB 1.429 42.921 42.059 -0.945 0.000 1.217 23 L HN 0.363 nan 8.230 nan 0.000 0.420 24 V N 4.157 124.014 119.914 -0.096 0.000 2.555 24 V HA 0.706 4.826 4.120 -0.000 0.000 0.302 24 V C -0.678 175.503 176.094 0.145 0.000 1.038 24 V CA -0.511 61.801 62.300 0.021 0.000 0.887 24 V CB 2.257 34.086 31.823 0.011 0.000 0.991 24 V HN 0.913 nan 8.190 nan 0.000 0.434 25 K N 3.812 124.302 120.400 0.150 0.000 2.501 25 K HA 0.437 4.757 4.320 -0.000 0.000 0.252 25 K C -0.741 175.905 176.600 0.077 0.000 0.934 25 K CA -0.293 56.086 56.287 0.153 0.000 0.797 25 K CB 1.500 34.130 32.500 0.218 0.000 1.270 25 K HN 0.855 nan 8.250 nan 0.000 0.431 26 D N 3.109 123.541 120.400 0.053 0.000 2.723 26 D HA -0.186 4.454 4.640 -0.000 0.000 0.236 26 D C 0.611 176.925 176.300 0.022 0.000 1.138 26 D CA 1.874 55.891 54.000 0.029 0.000 0.676 26 D CB -1.145 39.665 40.800 0.017 0.000 1.069 26 D HN 1.097 nan 8.370 nan 0.000 0.430 27 G N -0.437 108.383 108.800 0.032 0.000 2.184 27 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.264 27 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.264 27 G C 0.278 175.182 174.900 0.007 0.000 0.975 27 G CA 1.179 46.293 45.100 0.024 0.000 0.642 27 G HN 0.656 nan 8.290 nan 0.000 0.536 28 K N -0.520 119.885 120.400 0.009 0.000 2.400 28 K HA 0.756 5.076 4.320 -0.000 0.000 0.246 28 K C -0.291 176.309 176.600 0.000 0.000 0.995 28 K CA -1.176 55.107 56.287 -0.007 0.000 0.840 28 K CB 2.415 34.904 32.500 -0.018 0.000 1.293 28 K HN 0.056 nan 8.250 nan 0.000 0.445 29 V N 1.781 121.683 119.914 -0.020 0.000 2.485 29 V HA 0.036 4.156 4.120 -0.000 0.000 0.287 29 V C 0.966 177.054 176.094 -0.010 0.000 1.022 29 V CA 0.419 62.703 62.300 -0.027 0.000 1.067 29 V CB 0.392 32.189 31.823 -0.043 0.000 0.967 29 V HN 1.039 nan 8.190 nan 0.000 0.479 30 A N 4.233 127.055 122.820 0.002 0.000 2.063 30 A HA 0.752 5.072 4.320 -0.000 0.000 0.211 30 A C 0.948 178.538 177.584 0.011 0.000 1.177 30 A CA 0.842 52.915 52.037 0.059 0.000 0.759 30 A CB 0.219 19.352 19.000 0.222 0.000 0.857 30 A HN 1.281 nan 8.150 nan 0.000 0.468 31 A N -1.073 121.696 122.820 -0.084 0.000 2.597 31 A HA 0.646 4.966 4.320 -0.000 0.000 0.292 31 A C -1.567 175.945 177.584 -0.121 0.000 1.057 31 A CA -0.407 51.571 52.037 -0.099 0.000 0.674 31 A CB 0.492 19.415 19.000 -0.129 0.000 1.278 31 A HN 0.259 nan 8.150 nan 0.000 0.416 32 I N 1.804 122.325 120.570 -0.083 0.000 2.478 32 I HA 0.582 4.752 4.170 -0.000 0.000 0.287 32 I C 0.031 176.111 176.117 -0.061 0.000 1.042 32 I CA -0.379 60.878 61.300 -0.072 0.000 1.067 32 I CB 2.108 40.081 38.000 -0.045 0.000 1.233 32 I HN 0.789 nan 8.210 nan 0.000 0.431 33 S N 4.124 119.783 115.700 -0.068 0.000 2.588 33 S HA 0.695 5.164 4.470 -0.000 0.000 0.275 33 S C 0.491 175.066 174.600 -0.041 0.000 1.130 33 S CA -0.088 58.081 58.200 -0.050 0.000 0.855 33 S CB 2.016 65.182 63.200 -0.056 0.000 1.116 33 S HN 0.676 nan 8.310 nan 0.000 0.472 34 A N 1.006 123.810 122.820 -0.028 0.000 1.969 34 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 34 A C 0.798 178.367 177.584 -0.025 0.000 1.169 34 A CA 1.527 53.550 52.037 -0.022 0.000 0.635 34 A CB -0.566 18.425 19.000 -0.015 0.000 0.810 34 A HN 0.909 nan 8.150 nan 0.000 0.445 35 D N -1.744 118.641 120.400 -0.025 0.000 2.990 35 D HA 0.258 4.898 4.640 -0.000 0.000 0.227 35 D C -0.401 175.884 176.300 -0.025 0.000 1.249 35 D CA 0.412 54.399 54.000 -0.023 0.000 0.891 35 D CB 1.565 42.356 40.800 -0.014 0.000 1.647 35 D HN 0.058 nan 8.370 nan 0.000 0.530 36 T N -0.273 114.265 114.554 -0.028 0.000 3.182 36 T HA 0.131 4.481 4.350 -0.000 0.000 0.277 36 T C 1.523 176.221 174.700 -0.004 0.000 1.013 36 T CA -0.159 61.926 62.100 -0.025 0.000 0.900 36 T CB 0.264 69.100 68.868 -0.054 0.000 1.098 36 T HN 0.170 nan 8.240 nan 0.000 0.543 37 S N 2.509 118.207 115.700 -0.003 0.000 2.399 37 S HA -0.150 4.320 4.470 -0.000 0.000 0.235 37 S C 0.866 175.474 174.600 0.013 0.000 1.063 37 S CA 1.629 59.831 58.200 0.003 0.000 1.070 37 S CB -0.256 62.944 63.200 0.001 0.000 0.904 37 S HN 0.632 nan 8.310 nan 0.000 0.456 38 D N 1.017 121.429 120.400 0.020 0.000 3.068 38 D HA 0.327 4.967 4.640 -0.000 0.000 0.327 38 D C -0.646 175.685 176.300 0.051 0.000 1.361 38 D CA 0.065 54.083 54.000 0.030 0.000 0.877 38 D CB 0.804 41.618 40.800 0.024 0.000 1.088 38 D HN 0.266 nan 8.370 nan 0.000 0.489 39 V N -2.496 117.459 119.914 0.068 0.000 2.876 39 V HA 0.568 4.688 4.120 -0.000 0.000 0.312 39 V C -0.281 175.887 176.094 0.123 0.000 1.085 39 V CA -1.013 61.364 62.300 0.128 0.000 0.945 39 V CB 2.854 34.792 31.823 0.193 0.000 1.017 39 V HN -0.110 nan 8.190 nan 0.000 0.428 40 E N 2.056 122.336 120.200 0.134 0.000 2.191 40 E HA 0.791 5.141 4.350 -0.000 0.000 0.278 40 E C -0.381 176.308 176.600 0.148 0.000 0.972 40 E CA -0.638 55.821 56.400 0.099 0.000 0.804 40 E CB 2.098 31.826 29.700 0.046 0.000 1.110 40 E HN 1.155 nan 8.360 nan 0.000 0.394 41 A N 1.655 124.544 122.820 0.115 0.000 2.449 41 A HA 0.393 4.713 4.320 -0.000 0.000 0.302 41 A C 0.545 178.171 177.584 0.070 0.000 1.048 41 A CA -0.675 51.439 52.037 0.129 0.000 0.708 41 A CB 1.622 20.701 19.000 0.131 0.000 1.274 41 A HN 0.569 nan 8.150 nan 0.000 0.410 42 S N 0.089 115.825 115.700 0.060 0.000 2.370 42 S HA -0.088 4.382 4.470 -0.000 0.000 0.226 42 S C 1.045 175.663 174.600 0.030 0.000 1.033 42 S CA 1.914 60.136 58.200 0.036 0.000 1.011 42 S CB -0.194 63.024 63.200 0.031 0.000 0.852 42 S HN 0.768 nan 8.310 nan 0.000 0.457 43 R N 0.508 121.028 120.500 0.034 0.000 2.744 43 R HA 0.532 4.872 4.340 -0.000 0.000 0.279 43 R C -1.639 174.674 176.300 0.020 0.000 0.977 43 R CA -0.108 56.005 56.100 0.021 0.000 0.906 43 R CB 1.720 32.030 30.300 0.016 0.000 1.197 43 R HN -0.099 nan 8.270 nan 0.000 0.463 44 T N 4.886 119.447 114.554 0.010 0.000 2.879 44 T HA 0.539 4.889 4.350 -0.000 0.000 0.290 44 T C -0.894 173.804 174.700 -0.004 0.000 0.993 44 T CA -0.547 61.556 62.100 0.003 0.000 0.975 44 T CB 0.698 69.568 68.868 0.004 0.000 0.981 44 T HN 0.326 nan 8.240 nan 0.000 0.439 45 I N 3.038 123.602 120.570 -0.010 0.000 2.406 45 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 45 I C -0.223 175.884 176.117 -0.018 0.000 0.999 45 I CA -0.747 60.545 61.300 -0.013 0.000 1.124 45 I CB 1.844 39.836 38.000 -0.013 0.000 1.289 45 I HN 0.573 nan 8.210 nan 0.000 0.441 46 D N 5.006 125.396 120.400 -0.018 0.000 2.373 46 D HA 0.435 5.075 4.640 -0.000 0.000 0.227 46 D C 0.654 176.939 176.300 -0.025 0.000 1.091 46 D CA -0.284 53.702 54.000 -0.022 0.000 0.840 46 D CB 2.133 42.920 40.800 -0.021 0.000 1.060 46 D HN 0.657 nan 8.370 nan 0.000 0.502 47 A N 2.620 125.422 122.820 -0.031 0.000 2.167 47 A HA 0.259 4.579 4.320 -0.000 0.000 0.214 47 A C 1.627 179.183 177.584 -0.047 0.000 1.151 47 A CA 0.838 52.855 52.037 -0.034 0.000 0.735 47 A CB -0.382 18.597 19.000 -0.036 0.000 0.802 47 A HN 0.902 nan 8.150 nan 0.000 0.467 48 G N -1.710 107.062 108.800 -0.047 0.000 2.258 48 G HA2 0.096 4.056 3.960 -0.000 0.000 0.274 48 G HA3 0.096 4.056 3.960 -0.000 0.000 0.274 48 G C 1.457 176.311 174.900 -0.078 0.000 1.021 48 G CA 0.945 46.014 45.100 -0.053 0.000 0.798 48 G HN 2.086 nan 8.290 nan 0.000 0.507 49 G N -1.694 107.049 108.800 -0.095 0.000 2.143 49 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.249 49 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.249 49 G C 0.472 175.230 174.900 -0.236 0.000 0.981 49 G CA 1.088 46.100 45.100 -0.146 0.000 0.665 49 G HN 0.963 nan 8.290 nan 0.000 0.528 50 K N -0.686 119.604 120.400 -0.183 0.000 2.138 50 K HA 0.526 4.846 4.320 -0.000 0.000 0.251 50 K C 0.139 176.597 176.600 -0.236 0.000 1.015 50 K CA -0.622 55.534 56.287 -0.219 0.000 0.917 50 K CB 0.488 32.944 32.500 -0.073 0.000 1.021 50 K HN 0.024 nan 8.250 nan 0.000 0.485 51 F N 0.865 120.813 119.950 -0.002 0.000 2.484 51 F HA 0.082 4.609 4.527 -0.000 0.000 0.360 51 F C 0.418 176.216 175.800 -0.003 0.000 1.101 51 F CA -0.274 57.725 58.000 -0.001 0.000 1.251 51 F CB 0.529 39.530 39.000 0.002 0.000 1.132 51 F HN -0.018 nan 8.300 nan 0.000 0.570 52 V N 5.547 125.573 119.914 0.187 0.000 2.540 52 V HA 0.560 4.680 4.120 -0.000 0.000 0.302 52 V C -0.053 176.099 176.094 0.097 0.000 1.035 52 V CA -0.769 61.592 62.300 0.101 0.000 0.873 52 V CB 1.627 33.479 31.823 0.049 0.000 0.992 52 V HN 0.773 nan 8.190 nan 0.000 0.428 53 M N 4.688 124.328 119.600 0.066 0.000 2.658 53 M HA 0.813 5.292 4.480 -0.000 0.000 0.295 53 M C -3.088 173.228 176.300 0.027 0.000 1.248 53 M CA -2.226 53.101 55.300 0.045 0.000 0.843 53 M CB 2.416 35.037 32.600 0.035 0.000 1.749 53 M HN 0.220 nan 8.290 nan 0.000 0.464 54 P HA 0.240 nan 4.420 nan 0.000 0.272 54 P C -0.071 177.235 177.300 0.010 0.000 1.230 54 P CA 0.006 63.113 63.100 0.011 0.000 0.788 54 P CB 0.391 32.098 31.700 0.012 0.000 0.949 55 G N 0.976 109.778 108.800 0.003 0.000 2.414 55 G HA2 0.207 4.167 3.960 -0.000 0.000 0.236 55 G HA3 0.207 4.167 3.960 -0.000 0.000 0.236 55 G C -0.219 174.682 174.900 0.003 0.000 1.293 55 G CA -0.305 44.797 45.100 0.003 0.000 0.869 55 G HN 0.348 nan 8.290 nan 0.000 0.556 56 V N 1.809 121.724 119.914 0.002 0.000 2.637 56 V HA 0.104 4.224 4.120 -0.000 0.000 0.296 56 V C 0.475 176.569 176.094 -0.001 0.000 1.046 56 V CA -0.170 62.132 62.300 0.004 0.000 1.066 56 V CB 1.449 33.272 31.823 0.000 0.000 0.968 56 V HN 0.436 nan 8.190 nan 0.000 0.483 57 V N 4.505 124.422 119.914 0.006 0.000 2.313 57 V HA 0.289 4.409 4.120 -0.000 0.000 0.278 57 V C -0.109 175.990 176.094 0.008 0.000 1.017 57 V CA -0.503 61.795 62.300 -0.004 0.000 0.823 57 V CB 1.427 33.252 31.823 0.003 0.000 1.010 57 V HN 0.865 nan 8.190 nan 0.000 0.443 58 D N 4.050 124.449 120.400 -0.001 0.000 2.359 58 D HA 0.165 4.805 4.640 -0.000 0.000 0.230 58 D C 1.162 177.472 176.300 0.017 0.000 1.118 58 D CA -0.350 53.666 54.000 0.027 0.000 0.844 58 D CB 1.558 42.374 40.800 0.027 0.000 1.059 58 D HN 0.783 nan 8.370 nan 0.000 0.493 59 E N 2.170 122.402 120.200 0.054 0.000 2.502 59 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 59 E C 0.056 176.760 176.600 0.175 0.000 1.062 59 E CA 0.254 56.668 56.400 0.023 0.000 0.867 59 E CB 0.032 29.825 29.700 0.154 0.000 0.888 59 E HN 0.471 nan 8.360 nan 0.000 0.510 60 H N 0.431 119.538 119.070 0.062 0.000 2.423 60 H HA 0.382 4.938 4.556 -0.000 0.000 0.237 60 H C -1.590 173.712 175.328 -0.044 0.000 1.391 60 H CA -0.754 55.302 56.048 0.014 0.000 1.453 60 H CB 0.813 30.604 29.762 0.048 0.000 1.484 60 H HN -0.070 nan 8.280 nan 0.000 0.505 61 V N 3.911 123.887 119.914 0.102 0.000 2.604 61 V HA 0.195 4.314 4.120 -0.000 0.000 0.305 61 V C -0.217 175.848 176.094 -0.050 0.000 1.043 61 V CA -0.839 61.507 62.300 0.077 0.000 0.888 61 V CB 1.753 33.632 31.823 0.094 0.000 0.995 61 V HN 0.746 nan 8.190 nan 0.000 0.429 62 H N 5.118 124.344 119.070 0.259 0.000 2.340 62 H HA 0.423 4.978 4.556 -0.000 0.000 0.233 62 H C 0.846 176.291 175.328 0.196 0.000 1.435 62 H CA -0.218 55.937 56.048 0.178 0.000 1.389 62 H CB 1.058 30.887 29.762 0.113 0.000 1.491 62 H HN 0.562 nan 8.280 nan 0.000 0.518 63 I N 1.155 121.909 120.570 0.306 0.000 2.546 63 I HA -0.243 3.927 4.170 -0.000 0.000 0.255 63 I C 1.327 177.515 176.117 0.119 0.000 1.163 63 I CA 0.570 62.025 61.300 0.257 0.000 1.457 63 I CB 0.201 38.364 38.000 0.272 0.000 1.092 63 I HN 0.428 nan 8.210 nan 0.000 0.434 64 I N -1.354 119.280 120.570 0.107 0.000 4.781 64 I HA -0.543 3.627 4.170 -0.000 0.000 0.042 64 I C 1.066 177.114 176.117 -0.115 0.000 0.631 64 I CA 1.641 62.951 61.300 0.018 0.000 0.598 64 I CB -1.865 36.132 38.000 -0.006 0.000 0.578 64 I HN 0.399 nan 8.210 nan 0.000 0.154 65 D N -1.015 119.255 120.400 -0.216 0.000 3.245 65 D HA -0.246 4.394 4.640 -0.000 0.000 0.196 65 D C 0.820 177.000 176.300 -0.200 0.000 1.370 65 D CA 2.662 56.416 54.000 -0.410 0.000 1.087 65 D CB -0.270 39.786 40.800 -1.239 0.000 0.612 65 D HN 0.563 nan 8.370 nan 0.000 0.704 66 M N -1.999 117.466 119.600 -0.225 0.000 7.319 66 M HA -0.252 4.228 4.480 -0.000 0.000 0.104 66 M C 1.007 177.310 176.300 0.006 0.000 0.480 66 M CA 2.123 57.386 55.300 -0.063 0.000 1.311 66 M CB -2.254 30.339 32.600 -0.012 0.000 0.421 66 M HN 0.693 nan 8.290 nan 0.000 0.175 67 D N 0.861 121.311 120.400 0.083 0.000 2.354 67 D HA 0.017 4.657 4.640 -0.000 0.000 0.216 67 D C 1.676 178.056 176.300 0.133 0.000 0.970 67 D CA 1.108 55.191 54.000 0.139 0.000 0.905 67 D CB -0.162 40.808 40.800 0.284 0.000 0.903 67 D HN 0.462 nan 8.370 nan 0.000 0.508 68 L N 0.345 121.653 121.223 0.141 0.000 2.818 68 L HA 0.170 4.510 4.340 -0.000 0.000 0.243 68 L C 2.025 178.971 176.870 0.127 0.000 1.185 68 L CA -0.232 54.719 54.840 0.186 0.000 0.988 68 L CB 0.104 42.377 42.059 0.356 0.000 1.292 68 L HN -0.031 nan 8.230 nan 0.000 0.519 69 K N -0.307 120.107 120.400 0.024 0.000 2.152 69 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 69 K C 1.009 177.579 176.600 -0.050 0.000 1.048 69 K CA 1.540 57.801 56.287 -0.044 0.000 0.933 69 K CB -0.175 32.260 32.500 -0.108 0.000 0.721 69 K HN 0.289 nan 8.250 nan 0.000 0.447 70 N N 0.691 119.364 118.700 -0.044 0.000 2.461 70 N HA -0.037 4.703 4.740 -0.000 0.000 0.188 70 N C 1.361 176.804 175.510 -0.112 0.000 1.134 70 N CA 0.502 53.509 53.050 -0.072 0.000 0.878 70 N CB 0.393 38.851 38.487 -0.049 0.000 0.972 70 N HN 0.405 nan 8.380 nan 0.000 0.456 71 R N -1.159 119.253 120.500 -0.146 0.000 2.257 71 R HA 0.131 4.471 4.340 -0.000 0.000 0.195 71 R C 0.841 176.887 176.300 -0.423 0.000 0.921 71 R CA 0.388 56.292 56.100 -0.325 0.000 1.069 71 R CB 0.348 30.356 30.300 -0.487 0.000 1.115 71 R HN 0.021 nan 8.270 nan 0.000 0.571 72 Y N -1.366 118.962 120.300 0.046 0.000 2.576 72 Y HA 0.516 5.066 4.550 -0.000 0.000 0.282 72 Y C 0.862 176.783 175.900 0.035 0.000 1.139 72 Y CA 0.422 58.578 58.100 0.094 0.000 1.265 72 Y CB 0.924 39.384 38.460 0.000 0.000 1.376 72 Y HN 0.101 nan 8.280 nan 0.000 0.511 73 G N 0.058 108.923 108.800 0.110 0.000 2.616 73 G HA2 0.552 4.511 3.960 -0.000 0.000 0.294 73 G HA3 0.552 4.511 3.960 -0.000 0.000 0.294 73 G C -1.792 173.063 174.900 -0.075 0.000 1.489 73 G CA -1.114 44.002 45.100 0.027 0.000 0.836 73 G HN -0.162 nan 8.290 nan 0.000 0.527 74 R N 1.086 121.541 120.500 -0.075 0.000 2.562 74 R HA 0.433 4.773 4.340 -0.000 0.000 0.298 74 R C 0.341 176.619 176.300 -0.037 0.000 0.961 74 R CA -0.943 55.081 56.100 -0.126 0.000 0.881 74 R CB 1.380 31.642 30.300 -0.064 0.000 1.159 74 R HN 0.413 nan 8.270 nan 0.000 0.450 75 F N 1.899 121.835 119.950 -0.023 0.000 2.091 75 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 75 F C 1.847 177.623 175.800 -0.041 0.000 1.103 75 F CA 1.739 59.707 58.000 -0.054 0.000 1.228 75 F CB -0.392 38.543 39.000 -0.107 0.000 0.984 75 F HN 0.534 nan 8.300 nan 0.000 0.477 76 E N -0.160 120.138 120.200 0.162 0.000 2.347 76 E HA -0.080 4.270 4.350 -0.000 0.000 0.196 76 E C 2.038 178.673 176.600 0.058 0.000 1.008 76 E CA 0.731 57.184 56.400 0.089 0.000 0.852 76 E CB -0.531 29.207 29.700 0.063 0.000 0.783 76 E HN 0.384 nan 8.360 nan 0.000 0.505 77 L N 0.220 121.474 121.223 0.052 0.000 2.276 77 L HA 0.039 4.379 4.340 -0.000 0.000 0.194 77 L C 1.417 178.310 176.870 0.037 0.000 1.099 77 L CA 0.904 55.765 54.840 0.035 0.000 0.800 77 L CB -0.268 41.803 42.059 0.020 0.000 0.994 77 L HN -0.029 nan 8.230 nan 0.000 0.475 78 D N 0.323 120.756 120.400 0.054 0.000 2.178 78 D HA -0.179 4.461 4.640 -0.000 0.000 0.201 78 D C 2.260 178.544 176.300 -0.026 0.000 0.980 78 D CA 1.518 55.539 54.000 0.035 0.000 0.842 78 D CB -0.088 40.785 40.800 0.121 0.000 0.948 78 D HN 0.253 nan 8.370 nan 0.000 0.472 79 S N 0.048 115.763 115.700 0.025 0.000 2.474 79 S HA -0.130 4.340 4.470 -0.000 0.000 0.235 79 S C 1.633 176.227 174.600 -0.010 0.000 0.997 79 S CA 0.639 58.843 58.200 0.005 0.000 0.949 79 S CB -0.199 63.022 63.200 0.035 0.000 0.766 79 S HN 0.264 nan 8.310 nan 0.000 0.517 80 E N 1.038 121.234 120.200 -0.007 0.000 2.158 80 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 80 E C 2.038 178.611 176.600 -0.045 0.000 0.982 80 E CA 0.861 57.253 56.400 -0.013 0.000 0.823 80 E CB -0.166 29.534 29.700 0.001 0.000 0.766 80 E HN 0.561 nan 8.360 nan 0.000 0.468 81 S N 0.877 116.530 115.700 -0.080 0.000 2.368 81 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 81 S C 2.089 176.598 174.600 -0.152 0.000 1.030 81 S CA 0.973 59.083 58.200 -0.149 0.000 0.999 81 S CB -0.094 62.965 63.200 -0.234 0.000 0.844 81 S HN 0.361 nan 8.310 nan 0.000 0.459 82 A N 1.796 124.532 122.820 -0.140 0.000 1.858 82 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 82 A C 2.393 179.939 177.584 -0.063 0.000 1.190 82 A CA 1.865 53.835 52.037 -0.111 0.000 0.617 82 A CB -1.348 17.600 19.000 -0.086 0.000 0.827 82 A HN 0.522 nan 8.150 nan 0.000 0.443 83 A N -0.109 122.688 122.820 -0.039 0.000 1.903 83 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 83 A C 2.376 179.943 177.584 -0.029 0.000 1.191 83 A CA 2.938 54.963 52.037 -0.020 0.000 0.638 83 A CB -1.438 17.555 19.000 -0.012 0.000 0.823 83 A HN 1.295 nan 8.150 nan 0.000 0.451 84 V N -2.314 117.577 119.914 -0.038 0.000 2.667 84 V HA 0.114 4.234 4.120 -0.000 0.000 0.252 84 V C 2.097 178.169 176.094 -0.037 0.000 1.065 84 V CA 1.847 64.128 62.300 -0.031 0.000 1.083 84 V CB -1.308 30.500 31.823 -0.026 0.000 0.692 84 V HN 0.454 nan 8.190 nan 0.000 0.468 85 G N -0.278 108.486 108.800 -0.059 0.000 2.848 85 G HA2 0.344 4.304 3.960 -0.000 0.000 0.208 85 G HA3 0.344 4.304 3.960 -0.000 0.000 0.208 85 G C 1.334 176.210 174.900 -0.040 0.000 1.152 85 G CA 0.381 45.444 45.100 -0.062 0.000 0.789 85 G HN 1.592 nan 8.290 nan 0.000 0.531 86 G N -0.198 108.585 108.800 -0.028 0.000 2.159 86 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.256 86 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.256 86 G C 0.323 175.214 174.900 -0.014 0.000 0.977 86 G CA 0.136 45.227 45.100 -0.015 0.000 0.652 86 G HN 0.485 nan 8.290 nan 0.000 0.531 87 I N 2.514 123.069 120.570 -0.024 0.000 2.281 87 I HA 0.217 4.387 4.170 -0.000 0.000 0.293 87 I C 1.874 177.985 176.117 -0.011 0.000 1.085 87 I CA 0.353 61.640 61.300 -0.021 0.000 1.257 87 I CB 1.025 39.002 38.000 -0.038 0.000 1.430 87 I HN 0.253 nan 8.210 nan 0.000 0.489 88 T N 0.035 114.588 114.554 -0.002 0.000 3.054 88 T HA -0.002 4.347 4.350 -0.000 0.000 0.259 88 T C 0.819 175.520 174.700 0.001 0.000 1.092 88 T CA 0.363 62.470 62.100 0.011 0.000 1.121 88 T CB -0.011 68.864 68.868 0.013 0.000 0.912 88 T HN 0.593 nan 8.240 nan 0.000 0.489 89 T N 0.878 115.420 114.554 -0.019 0.000 2.952 89 T HA 0.645 4.995 4.350 -0.000 0.000 0.305 89 T C -0.747 173.928 174.700 -0.041 0.000 1.064 89 T CA -1.223 60.854 62.100 -0.038 0.000 1.008 89 T CB 1.560 70.376 68.868 -0.087 0.000 1.078 89 T HN 0.523 nan 8.240 nan 0.000 0.459 90 I N 1.093 121.649 120.570 -0.024 0.000 2.846 90 I HA 0.764 4.934 4.170 -0.000 0.000 0.307 90 I C -1.154 174.928 176.117 -0.059 0.000 1.053 90 I CA -1.845 59.439 61.300 -0.025 0.000 1.050 90 I CB 2.194 40.200 38.000 0.010 0.000 1.239 90 I HN 0.632 nan 8.210 nan 0.000 0.439 91 I N 2.995 123.510 120.570 -0.091 0.000 2.420 91 I HA 0.325 4.495 4.170 -0.000 0.000 0.282 91 I C -0.256 175.877 176.117 0.027 0.000 1.019 91 I CA -0.549 60.641 61.300 -0.184 0.000 1.130 91 I CB 1.424 39.094 38.000 -0.551 0.000 1.262 91 I HN 0.585 nan 8.210 nan 0.000 0.454 92 E N 6.511 126.767 120.200 0.093 0.000 2.324 92 E HA 0.237 4.586 4.350 -0.000 0.000 0.271 92 E C -0.046 176.715 176.600 0.268 0.000 1.028 92 E CA -0.128 56.369 56.400 0.162 0.000 0.890 92 E CB 0.979 30.778 29.700 0.165 0.000 1.004 92 E HN 0.426 nan 8.360 nan 0.000 0.431 93 M N 4.691 124.355 119.600 0.107 0.000 2.157 93 M HA 0.095 4.575 4.480 -0.000 0.000 0.304 93 M C -1.489 174.852 176.300 0.068 0.000 1.171 93 M CA -1.307 53.962 55.300 -0.052 0.000 1.157 93 M CB -0.141 32.278 32.600 -0.303 0.000 1.403 93 M HN 0.175 nan 8.290 nan 0.000 0.473 94 P HA 0.207 nan 4.420 nan 0.000 0.259 94 P C -0.365 176.955 177.300 0.033 0.000 1.530 94 P CA 0.269 63.441 63.100 0.119 0.000 1.022 94 P CB -0.058 31.802 31.700 0.267 0.000 1.514 95 I N 0.600 121.096 120.570 -0.123 0.000 2.294 95 I HA 0.316 4.486 4.170 -0.000 0.000 0.295 95 I C 0.727 176.837 176.117 -0.011 0.000 1.098 95 I CA 0.529 61.721 61.300 -0.179 0.000 1.277 95 I CB 0.022 37.852 38.000 -0.284 0.000 1.434 95 I HN -0.012 nan 8.210 nan 0.000 0.498 96 T N 5.867 120.469 114.554 0.079 0.000 2.658 96 T HA 0.508 4.858 4.350 -0.000 0.000 0.305 96 T C -1.980 172.826 174.700 0.175 0.000 1.551 96 T CA -0.451 61.693 62.100 0.073 0.000 0.985 96 T CB 1.186 70.090 68.868 0.059 0.000 1.731 96 T HN 0.189 nan 8.240 nan 0.000 0.486 97 F N 3.614 123.582 119.950 0.031 0.000 2.536 97 F HA 0.680 5.207 4.527 -0.000 0.000 0.322 97 F C -2.360 173.469 175.800 0.047 0.000 1.144 97 F CA -2.019 56.013 58.000 0.052 0.000 0.924 97 F CB 2.114 41.142 39.000 0.047 0.000 1.181 97 F HN 0.290 nan 8.300 nan 0.000 0.438 98 P HA 0.219 nan 4.420 nan 0.000 0.272 98 P C -2.866 174.268 177.300 -0.278 0.000 1.223 98 P CA -1.510 61.010 63.100 -0.966 0.000 0.784 98 P CB 0.302 31.578 31.700 -0.707 0.000 0.923 99 P HA 0.072 nan 4.420 nan 0.000 0.268 99 P C 0.033 177.410 177.300 0.128 0.000 1.204 99 P CA 0.445 63.621 63.100 0.126 0.000 0.768 99 P CB -0.265 31.535 31.700 0.167 0.000 0.842 100 T N 1.289 115.977 114.554 0.225 0.000 4.313 100 T HA 0.122 4.472 4.350 -0.000 0.000 0.272 100 T C 0.913 175.790 174.700 0.294 0.000 1.298 100 T CA 0.207 62.453 62.100 0.244 0.000 1.124 100 T CB -1.148 67.884 68.868 0.274 0.000 1.352 100 T HN 0.466 nan 8.240 nan 0.000 1.013 101 T N -2.111 112.566 114.554 0.204 0.000 3.132 101 T HA 0.286 4.635 4.350 -0.000 0.000 0.274 101 T C 0.490 175.265 174.700 0.125 0.000 1.011 101 T CA -0.414 61.785 62.100 0.165 0.000 0.899 101 T CB 0.361 69.263 68.868 0.056 0.000 1.089 101 T HN 0.267 nan 8.240 nan 0.000 0.543 102 T N 1.521 116.160 114.554 0.141 0.000 2.903 102 T HA 0.463 4.813 4.350 -0.000 0.000 0.299 102 T C 0.615 175.404 174.700 0.148 0.000 1.093 102 T CA -0.692 61.474 62.100 0.109 0.000 1.002 102 T CB 2.215 71.125 68.868 0.069 0.000 1.127 102 T HN 0.004 nan 8.240 nan 0.000 0.488 103 L N 1.978 123.266 121.223 0.109 0.000 2.042 103 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 103 L C 1.802 178.772 176.870 0.166 0.000 1.076 103 L CA 2.131 57.045 54.840 0.123 0.000 0.749 103 L CB -0.532 41.569 42.059 0.070 0.000 0.893 103 L HN 0.640 nan 8.230 nan 0.000 0.432 104 D N -0.069 120.395 120.400 0.107 0.000 2.084 104 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 104 D C 2.165 178.518 176.300 0.088 0.000 0.990 104 D CA 1.689 55.738 54.000 0.080 0.000 0.826 104 D CB -0.266 40.560 40.800 0.044 0.000 0.971 104 D HN 0.494 nan 8.370 nan 0.000 0.453 105 A N 0.561 123.435 122.820 0.090 0.000 1.940 105 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 105 A C 2.106 179.757 177.584 0.112 0.000 1.176 105 A CA 1.168 53.249 52.037 0.073 0.000 0.631 105 A CB -0.977 18.062 19.000 0.065 0.000 0.814 105 A HN 0.248 nan 8.150 nan 0.000 0.446 106 F N 0.075 120.047 119.950 0.036 0.000 2.084 106 F HA -0.116 4.411 4.527 -0.000 0.000 0.296 106 F C 1.873 177.673 175.800 0.001 0.000 1.111 106 F CA 1.415 59.440 58.000 0.041 0.000 1.224 106 F CB -0.172 38.864 39.000 0.060 0.000 0.991 106 F HN 0.122 nan 8.300 nan 0.000 0.471 107 L N 0.596 121.909 121.223 0.151 0.000 2.079 107 L HA -0.204 4.135 4.340 -0.000 0.000 0.210 107 L C 2.342 179.161 176.870 -0.085 0.000 1.081 107 L CA 1.754 56.600 54.840 0.010 0.000 0.752 107 L CB -1.614 40.484 42.059 0.065 0.000 0.896 107 L HN 0.243 nan 8.230 nan 0.000 0.433 108 E N 0.046 120.219 120.200 -0.044 0.000 2.072 108 E HA -0.209 4.141 4.350 -0.000 0.000 0.190 108 E C 2.268 178.825 176.600 -0.071 0.000 0.982 108 E CA 1.274 57.648 56.400 -0.045 0.000 0.803 108 E CB -0.081 29.610 29.700 -0.015 0.000 0.755 108 E HN 0.301 nan 8.360 nan 0.000 0.453 109 K N 0.435 120.777 120.400 -0.097 0.000 2.097 109 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 109 K C 2.164 178.646 176.600 -0.198 0.000 1.049 109 K CA 1.519 57.756 56.287 -0.084 0.000 0.933 109 K CB -0.124 32.332 32.500 -0.074 0.000 0.717 109 K HN 0.014 nan 8.250 nan 0.000 0.442 110 K N 1.183 121.385 120.400 -0.331 0.000 2.057 110 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 110 K C 2.116 178.585 176.600 -0.219 0.000 1.049 110 K CA 1.577 57.658 56.287 -0.344 0.000 0.931 110 K CB -0.038 32.119 32.500 -0.573 0.000 0.714 110 K HN 0.018 nan 8.250 nan 0.000 0.440 111 K N 0.215 120.511 120.400 -0.173 0.000 2.002 111 K HA -0.175 4.145 4.320 -0.000 0.000 0.209 111 K C 2.280 178.825 176.600 -0.093 0.000 1.048 111 K CA 1.539 57.761 56.287 -0.109 0.000 0.930 111 K CB 0.029 32.484 32.500 -0.075 0.000 0.714 111 K HN 0.190 nan 8.250 nan 0.000 0.438 112 Q N 0.095 119.853 119.800 -0.070 0.000 2.002 112 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 112 Q C 2.244 178.172 176.000 -0.120 0.000 0.988 112 Q CA 1.675 57.475 55.803 -0.006 0.000 0.843 112 Q CB -0.470 28.340 28.738 0.120 0.000 0.908 112 Q HN 0.442 nan 8.270 nan 0.000 0.420 113 A N 1.110 123.686 122.820 -0.407 0.000 1.917 113 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 113 A C 2.349 179.393 177.584 -0.900 0.000 1.182 113 A CA 2.058 53.378 52.037 -1.194 0.000 0.633 113 A CB -1.235 16.806 19.000 -1.599 0.000 0.819 113 A HN 0.507 nan 8.150 nan 0.000 0.448 114 G N -1.432 107.109 108.800 -0.432 0.000 2.443 114 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.219 114 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.219 114 G C 1.537 176.399 174.900 -0.063 0.000 1.131 114 G CA 0.934 45.999 45.100 -0.058 0.000 0.775 114 G HN 0.676 nan 8.290 nan 0.000 0.547 115 Q N -0.852 118.895 119.800 -0.088 0.000 2.354 115 Q HA 0.184 4.524 4.340 -0.000 0.000 0.203 115 Q C 2.327 178.319 176.000 -0.013 0.000 0.933 115 Q CA 0.345 56.132 55.803 -0.028 0.000 0.901 115 Q CB 0.316 29.047 28.738 -0.010 0.000 1.007 115 Q HN 0.350 nan 8.270 nan 0.000 0.495 116 R N -0.772 119.702 120.500 -0.043 0.000 2.394 116 R HA 0.259 4.599 4.340 -0.000 0.000 0.220 116 R C 0.081 176.382 176.300 0.001 0.000 0.887 116 R CA -0.180 55.934 56.100 0.023 0.000 1.034 116 R CB 0.728 31.104 30.300 0.126 0.000 1.179 116 R HN 0.078 nan 8.270 nan 0.000 0.561 117 L N 1.520 122.651 121.223 -0.153 0.000 2.439 117 L HA 0.073 4.413 4.340 -0.000 0.000 0.269 117 L C 1.156 178.037 176.870 0.019 0.000 1.179 117 L CA 0.485 55.239 54.840 -0.143 0.000 0.828 117 L CB 0.696 42.507 42.059 -0.413 0.000 1.106 117 L HN 0.007 nan 8.230 nan 0.000 0.467 118 K N 1.431 121.873 120.400 0.071 0.000 2.360 118 K HA 0.160 4.480 4.320 -0.000 0.000 0.196 118 K C -0.221 176.528 176.600 0.247 0.000 1.049 118 K CA 0.091 56.480 56.287 0.169 0.000 1.049 118 K CB 0.871 33.432 32.500 0.102 0.000 0.881 118 K HN 0.533 nan 8.250 nan 0.000 0.542 119 V N -1.485 118.520 119.914 0.152 0.000 3.113 119 V HA 0.440 4.560 4.120 -0.000 0.000 0.316 119 V C -0.556 175.616 176.094 0.130 0.000 1.125 119 V CA -1.249 61.139 62.300 0.148 0.000 1.026 119 V CB 1.707 33.578 31.823 0.080 0.000 1.080 119 V HN -0.157 nan 8.190 nan 0.000 0.444 120 D N 1.208 121.650 120.400 0.070 0.000 2.360 120 D HA 0.606 5.246 4.640 -0.000 0.000 0.242 120 D C -0.478 175.880 176.300 0.097 0.000 1.184 120 D CA 0.532 54.547 54.000 0.025 0.000 0.930 120 D CB 0.995 41.721 40.800 -0.124 0.000 1.161 120 D HN 0.713 nan 8.370 nan 0.000 0.447 121 F N -1.614 118.242 119.950 -0.157 0.000 2.668 121 F HA 0.787 5.314 4.527 -0.000 0.000 0.309 121 F C -1.332 174.335 175.800 -0.221 0.000 1.117 121 F CA -1.386 56.512 58.000 -0.171 0.000 0.951 121 F CB 0.888 39.790 39.000 -0.162 0.000 1.323 121 F HN 0.317 nan 8.300 nan 0.000 0.451 122 A N 2.203 124.906 122.820 -0.194 0.000 2.430 122 A HA 0.928 5.248 4.320 -0.000 0.000 0.300 122 A C -1.827 175.709 177.584 -0.079 0.000 1.124 122 A CA -0.998 50.836 52.037 -0.338 0.000 0.766 122 A CB 1.723 20.452 19.000 -0.452 0.000 1.328 122 A HN 0.889 nan 8.150 nan 0.000 0.424 123 L N 0.457 121.681 121.223 0.001 0.000 2.381 123 L HA 0.511 4.851 4.340 -0.000 0.000 0.268 123 L C -1.299 175.596 176.870 0.042 0.000 0.997 123 L CA -0.638 54.265 54.840 0.104 0.000 0.818 123 L CB 1.863 44.044 42.059 0.204 0.000 1.310 123 L HN 0.762 nan 8.230 nan 0.000 0.416 124 Y N 0.181 120.510 120.300 0.049 0.000 2.403 124 Y HA 0.639 5.189 4.550 -0.000 0.000 0.323 124 Y C 0.815 176.735 175.900 0.032 0.000 1.226 124 Y CA -0.128 57.934 58.100 -0.063 0.000 1.235 124 Y CB 1.882 40.312 38.460 -0.051 0.000 1.248 124 Y HN 0.548 nan 8.280 nan 0.000 0.489 125 G N -0.471 108.312 108.800 -0.029 0.000 2.537 125 G HA2 0.556 4.516 3.960 -0.000 0.000 0.323 125 G HA3 0.556 4.516 3.960 -0.000 0.000 0.323 125 G C -0.789 174.357 174.900 0.410 0.000 1.207 125 G CA -0.812 44.380 45.100 0.153 0.000 0.976 125 G HN 0.845 nan 8.290 nan 0.000 0.487 126 G N -1.531 107.574 108.800 0.509 0.000 2.400 126 G HA2 0.568 4.528 3.960 -0.000 0.000 0.333 126 G HA3 0.568 4.528 3.960 -0.000 0.000 0.333 126 G C -0.195 174.961 174.900 0.426 0.000 1.143 126 G CA -0.250 45.198 45.100 0.580 0.000 0.914 126 G HN 0.976 nan 8.290 nan 0.000 0.480 127 G N 0.294 109.314 108.800 0.366 0.000 2.788 127 G HA2 0.593 4.553 3.960 -0.000 0.000 0.327 127 G HA3 0.593 4.553 3.960 -0.000 0.000 0.327 127 G C -0.234 174.684 174.900 0.030 0.000 1.249 127 G CA -0.218 44.984 45.100 0.170 0.000 1.063 127 G HN 1.212 nan 8.290 nan 0.000 0.497 128 V N -0.161 119.688 119.914 -0.109 0.000 3.103 128 V HA 0.818 4.938 4.120 -0.000 0.000 0.318 128 V C -2.405 173.620 176.094 -0.115 0.000 1.114 128 V CA -3.127 59.045 62.300 -0.214 0.000 1.020 128 V CB 2.159 33.715 31.823 -0.446 0.000 1.085 128 V HN 0.414 nan 8.190 nan 0.000 0.446 129 P HA 0.233 nan 4.420 nan 0.000 0.264 129 P C 0.848 178.114 177.300 -0.056 0.000 1.193 129 P CA 1.669 64.733 63.100 -0.062 0.000 0.763 129 P CB 0.761 32.432 31.700 -0.049 0.000 0.810 130 G N 3.511 112.286 108.800 -0.041 0.000 2.176 130 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.253 130 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.253 130 G C 0.593 175.474 174.900 -0.032 0.000 0.979 130 G CA 0.302 45.382 45.100 -0.033 0.000 0.641 130 G HN 0.726 nan 8.290 nan 0.000 0.530 131 N N 0.458 119.135 118.700 -0.038 0.000 2.234 131 N HA 0.239 4.979 4.740 -0.000 0.000 0.227 131 N C 1.751 177.241 175.510 -0.034 0.000 1.151 131 N CA 0.325 53.358 53.050 -0.028 0.000 0.865 131 N CB 0.147 38.621 38.487 -0.021 0.000 1.066 131 N HN 0.327 nan 8.380 nan 0.000 0.515 132 L N 2.310 123.506 121.223 -0.045 0.000 2.054 132 L HA -0.107 4.233 4.340 -0.000 0.000 0.220 132 L C -0.747 176.080 176.870 -0.072 0.000 1.081 132 L CA 2.388 57.189 54.840 -0.066 0.000 0.780 132 L CB -1.376 40.648 42.059 -0.058 0.000 0.893 132 L HN 0.163 nan 8.230 nan 0.000 0.438 133 P HA -0.126 nan 4.420 nan 0.000 0.226 133 P C 1.021 178.302 177.300 -0.031 0.000 1.153 133 P CA 0.974 64.049 63.100 -0.040 0.000 0.777 133 P CB -0.022 31.663 31.700 -0.024 0.000 0.794 134 E N -0.036 120.151 120.200 -0.021 0.000 2.208 134 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 134 E C 2.184 178.788 176.600 0.008 0.000 0.988 134 E CA 0.363 56.768 56.400 0.008 0.000 0.828 134 E CB -0.566 29.156 29.700 0.036 0.000 0.763 134 E HN 0.380 nan 8.360 nan 0.000 0.478 135 I N 0.801 121.327 120.570 -0.073 0.000 2.163 135 I HA -0.290 3.879 4.170 -0.000 0.000 0.243 135 I C 2.658 178.701 176.117 -0.124 0.000 1.085 135 I CA 1.024 62.182 61.300 -0.237 0.000 1.347 135 I CB -0.197 37.491 38.000 -0.520 0.000 1.044 135 I HN 0.001 nan 8.210 nan 0.000 0.408 136 R N 1.313 121.759 120.500 -0.091 0.000 2.091 136 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 136 R C 2.173 178.516 176.300 0.070 0.000 1.136 136 R CA 1.548 57.643 56.100 -0.008 0.000 0.959 136 R CB -0.330 29.953 30.300 -0.027 0.000 0.856 136 R HN 0.430 nan 8.270 nan 0.000 0.437 137 K N -0.335 120.085 120.400 0.034 0.000 2.026 137 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 137 K C 2.272 178.866 176.600 -0.009 0.000 1.048 137 K CA 1.648 57.950 56.287 0.024 0.000 0.929 137 K CB -0.150 32.360 32.500 0.016 0.000 0.713 137 K HN 0.160 nan 8.250 nan 0.000 0.439 138 M N -0.246 119.343 119.600 -0.018 0.000 2.175 138 M HA -0.156 4.324 4.480 -0.000 0.000 0.264 138 M C 2.265 178.463 176.300 -0.170 0.000 1.063 138 M CA 1.443 56.575 55.300 -0.280 0.000 1.119 138 M CB -0.438 32.028 32.600 -0.224 0.000 1.377 138 M HN 0.254 nan 8.290 nan 0.000 0.415 139 H N 1.028 120.164 119.070 0.110 0.000 2.290 139 H HA -0.182 4.374 4.556 -0.000 0.000 0.298 139 H C 1.466 176.816 175.328 0.037 0.000 1.087 139 H CA 2.177 58.313 56.048 0.147 0.000 1.291 139 H CB -0.160 29.703 29.762 0.169 0.000 1.369 139 H HN 0.263 nan 8.280 nan 0.000 0.492 140 D N -0.145 120.237 120.400 -0.029 0.000 2.263 140 D HA -0.053 4.587 4.640 -0.000 0.000 0.208 140 D C 1.690 177.952 176.300 -0.064 0.000 0.971 140 D CA 1.131 55.087 54.000 -0.073 0.000 0.867 140 D CB -0.325 40.485 40.800 0.017 0.000 0.929 140 D HN 0.576 nan 8.370 nan 0.000 0.492 141 A N -0.481 122.296 122.820 -0.071 0.000 2.251 141 A HA 0.443 4.763 4.320 -0.000 0.000 0.209 141 A C 1.691 179.359 177.584 0.140 0.000 1.187 141 A CA 0.958 53.004 52.037 0.015 0.000 0.823 141 A CB 0.144 19.154 19.000 0.018 0.000 0.846 141 A HN 0.240 nan 8.150 nan 0.000 0.486 142 G N -2.134 106.696 108.800 0.051 0.000 2.192 142 G HA2 0.169 4.129 3.960 -0.000 0.000 0.193 142 G HA3 0.169 4.129 3.960 -0.000 0.000 0.193 142 G C 0.422 175.464 174.900 0.235 0.000 0.999 142 G CA -0.020 45.215 45.100 0.224 0.000 0.659 142 G HN 1.489 nan 8.290 nan 0.000 0.503 143 A N 0.475 123.311 122.820 0.026 0.000 2.540 143 A HA 0.579 4.899 4.320 -0.000 0.000 0.239 143 A C 1.835 179.378 177.584 -0.069 0.000 1.061 143 A CA 0.871 52.889 52.037 -0.031 0.000 0.758 143 A CB 0.549 19.271 19.000 -0.462 0.000 0.991 143 A HN 1.574 nan 8.150 nan 0.000 0.502 144 V N 1.143 120.983 119.914 -0.124 0.000 2.878 144 V HA 0.506 4.626 4.120 -0.000 0.000 0.250 144 V C 0.973 177.124 176.094 0.095 0.000 1.075 144 V CA 1.111 63.383 62.300 -0.048 0.000 1.096 144 V CB -1.316 30.409 31.823 -0.164 0.000 0.724 144 V HN 1.446 nan 8.190 nan 0.000 0.467 145 G N -1.245 107.493 108.800 -0.103 0.000 2.554 145 G HA2 0.625 4.585 3.960 -0.000 0.000 0.306 145 G HA3 0.625 4.585 3.960 -0.000 0.000 0.306 145 G C -1.770 173.000 174.900 -0.217 0.000 1.320 145 G CA -0.649 44.529 45.100 0.131 0.000 0.800 145 G HN 0.081 nan 8.290 nan 0.000 0.481 149 M N 2.538 122.313 119.600 0.291 0.000 2.456 149 M HA 0.479 4.959 4.480 -0.000 0.000 0.324 149 M C 0.167 176.565 176.300 0.164 0.000 1.124 149 M CA -0.473 54.966 55.300 0.232 0.000 0.959 149 M CB 1.658 34.379 32.600 0.201 0.000 1.692 149 M HN 0.679 nan 8.290 nan 0.000 0.444 150 M N 1.031 120.732 119.600 0.169 0.000 2.465 150 M HA 0.326 4.805 4.480 -0.000 0.000 0.249 150 M C 0.196 176.552 176.300 0.093 0.000 1.130 150 M CA 0.214 55.586 55.300 0.120 0.000 1.067 150 M CB 0.616 33.295 32.600 0.131 0.000 1.394 150 M HN 0.733 nan 8.290 nan 0.000 0.483 151 A N 0.558 123.427 122.820 0.081 0.000 2.402 151 A HA 0.807 5.127 4.320 -0.000 0.000 0.291 151 A C -0.319 177.228 177.584 -0.061 0.000 1.051 151 A CA -0.851 51.199 52.037 0.022 0.000 0.716 151 A CB 0.655 19.686 19.000 0.052 0.000 1.223 151 A HN 0.248 nan 8.150 nan 0.000 0.425 152 A N 1.260 124.072 122.820 -0.014 0.000 2.281 152 A HA 0.735 5.055 4.320 -0.000 0.000 0.271 152 A C 1.180 178.737 177.584 -0.044 0.000 1.196 152 A CA 0.731 52.769 52.037 0.000 0.000 0.807 152 A CB 0.511 19.534 19.000 0.039 0.000 1.138 152 A HN 1.889 nan 8.150 nan 0.000 0.506 153 S N -3.421 112.275 115.700 -0.006 0.000 2.462 153 S HA 0.066 4.536 4.470 -0.000 0.000 0.269 153 S C -0.289 174.326 174.600 0.026 0.000 1.005 153 S CA 0.663 58.857 58.200 -0.010 0.000 1.260 153 S CB -0.088 63.080 63.200 -0.055 0.000 0.990 153 S HN 1.817 nan 8.310 nan 0.000 0.477 154 V N 1.275 121.217 119.914 0.047 0.000 2.405 154 V HA 0.624 4.743 4.120 -0.000 0.000 0.253 154 V C -3.199 172.947 176.094 0.087 0.000 0.963 154 V CA -2.309 60.028 62.300 0.062 0.000 1.003 154 V CB -0.068 31.784 31.823 0.048 0.000 1.251 154 V HN 0.039 nan 8.190 nan 0.000 0.520 155 P HA 0.324 nan 4.420 nan 0.000 0.265 155 P C 1.328 178.663 177.300 0.058 0.000 1.187 155 P CA 2.229 65.363 63.100 0.057 0.000 0.766 155 P CB 0.942 32.664 31.700 0.037 0.000 0.820 156 G N 1.966 110.799 108.800 0.055 0.000 2.579 156 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.222 156 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.222 156 G C 1.044 176.004 174.900 0.100 0.000 1.201 156 G CA 0.573 45.708 45.100 0.058 0.000 0.710 156 G HN 0.543 nan 8.290 nan 0.000 0.516 157 M N -0.796 118.885 119.600 0.135 0.000 2.115 157 M HA 0.562 5.042 4.480 -0.000 0.000 0.261 157 M C 0.373 176.818 176.300 0.241 0.000 1.079 157 M CA 1.342 56.779 55.300 0.228 0.000 1.143 157 M CB 0.280 33.012 32.600 0.220 0.000 1.332 157 M HN 0.274 nan 8.290 nan 0.000 0.421 158 F N 1.370 121.361 119.950 0.067 0.000 2.553 158 F HA 0.320 4.847 4.527 -0.000 0.000 0.335 158 F C -1.293 174.530 175.800 0.038 0.000 1.148 158 F CA -1.190 56.844 58.000 0.056 0.000 0.963 158 F CB 0.910 39.939 39.000 0.049 0.000 1.217 158 F HN 0.158 nan 8.300 nan 0.000 0.441 159 D N 3.508 123.857 120.400 -0.084 0.000 2.277 159 D HA 0.619 5.259 4.640 -0.000 0.000 0.250 159 D C -0.483 175.828 176.300 0.017 0.000 1.032 159 D CA -0.505 53.490 54.000 -0.009 0.000 0.947 159 D CB 1.388 42.161 40.800 -0.044 0.000 1.159 159 D HN 0.594 nan 8.370 nan 0.000 0.460 160 A N 0.592 123.440 122.820 0.047 0.000 2.332 160 A HA 0.538 4.858 4.320 -0.000 0.000 0.258 160 A C 0.080 177.677 177.584 0.022 0.000 1.087 160 A CA -0.610 51.462 52.037 0.059 0.000 0.802 160 A CB 0.311 19.341 19.000 0.051 0.000 1.042 160 A HN 0.500 nan 8.150 nan 0.000 0.489 161 V N 0.048 119.979 119.914 0.028 0.000 2.850 161 V HA 0.780 4.900 4.120 -0.000 0.000 0.315 161 V C 0.434 176.527 176.094 -0.002 0.000 1.064 161 V CA -0.166 62.135 62.300 0.002 0.000 0.979 161 V CB 1.028 32.849 31.823 -0.004 0.000 1.039 161 V HN 1.215 nan 8.190 nan 0.000 0.452 162 S N 0.766 116.459 115.700 -0.012 0.000 2.681 162 S HA 0.291 4.761 4.470 -0.000 0.000 0.270 162 S C 0.565 175.148 174.600 -0.028 0.000 1.209 162 S CA -0.140 58.052 58.200 -0.014 0.000 0.988 162 S CB 0.965 64.157 63.200 -0.013 0.000 1.006 162 S HN 0.770 nan 8.310 nan 0.000 0.558 163 D N 1.178 121.559 120.400 -0.031 0.000 2.149 163 D HA -0.028 4.612 4.640 -0.000 0.000 0.198 163 D C 2.038 178.320 176.300 -0.030 0.000 0.990 163 D CA 1.693 55.664 54.000 -0.049 0.000 0.839 163 D CB -1.034 39.736 40.800 -0.050 0.000 0.948 163 D HN 0.755 nan 8.370 nan 0.000 0.460 164 G N 0.981 109.773 108.800 -0.012 0.000 2.404 164 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.215 164 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.215 164 G C 1.494 176.424 174.900 0.049 0.000 1.174 164 G CA 0.463 45.583 45.100 0.032 0.000 0.780 164 G HN 0.306 nan 8.290 nan 0.000 0.537 165 E N -0.057 120.144 120.200 0.001 0.000 2.072 165 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 165 E C 2.397 178.966 176.600 -0.052 0.000 0.985 165 E CA 0.695 57.085 56.400 -0.017 0.000 0.801 165 E CB -0.219 29.467 29.700 -0.024 0.000 0.750 165 E HN 0.330 nan 8.360 nan 0.000 0.452 166 L N 0.774 121.940 121.223 -0.094 0.000 2.046 166 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 166 L C 2.147 178.777 176.870 -0.401 0.000 1.077 166 L CA 1.516 56.210 54.840 -0.243 0.000 0.747 166 L CB -0.528 41.354 42.059 -0.294 0.000 0.896 166 L HN 0.045 nan 8.230 nan 0.000 0.432 167 F N 0.616 120.346 119.950 -0.366 0.000 2.134 167 F HA -0.175 4.351 4.527 -0.000 0.000 0.299 167 F C 2.329 178.070 175.800 -0.098 0.000 1.097 167 F CA 1.893 59.732 58.000 -0.269 0.000 1.264 167 F CB -0.251 38.662 39.000 -0.145 0.000 1.001 167 F HN 0.246 nan 8.300 nan 0.000 0.479 168 E N 0.232 120.360 120.200 -0.119 0.000 2.150 168 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 168 E C 2.386 178.891 176.600 -0.159 0.000 0.985 168 E CA 1.503 57.805 56.400 -0.163 0.000 0.814 168 E CB -0.229 29.443 29.700 -0.047 0.000 0.752 168 E HN 0.483 nan 8.360 nan 0.000 0.466 169 I N 0.469 120.978 120.570 -0.102 0.000 2.252 169 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 169 I C 2.038 178.195 176.117 0.067 0.000 1.102 169 I CA 0.762 62.042 61.300 -0.033 0.000 1.385 169 I CB -0.203 37.811 38.000 0.023 0.000 1.064 169 I HN 0.035 nan 8.210 nan 0.000 0.414 170 F N 1.545 121.389 119.950 -0.177 0.000 2.126 170 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 170 F C 2.708 178.355 175.800 -0.255 0.000 1.096 170 F CA 1.358 59.248 58.000 -0.183 0.000 1.255 170 F CB -1.141 37.755 39.000 -0.173 0.000 0.997 170 F HN 0.179 nan 8.300 nan 0.000 0.479 171 Q N -0.474 119.214 119.800 -0.186 0.000 2.084 171 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 171 Q C 2.163 178.068 176.000 -0.158 0.000 0.978 171 Q CA 1.301 56.966 55.803 -0.231 0.000 0.844 171 Q CB -0.247 28.290 28.738 -0.334 0.000 0.898 171 Q HN 0.289 nan 8.270 nan 0.000 0.426 172 E N 0.655 120.763 120.200 -0.153 0.000 2.051 172 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 172 E C 2.048 178.536 176.600 -0.187 0.000 0.991 172 E CA 0.812 57.113 56.400 -0.165 0.000 0.799 172 E CB -0.097 29.491 29.700 -0.186 0.000 0.748 172 E HN 0.297 nan 8.360 nan 0.000 0.449 173 I N 1.023 121.492 120.570 -0.168 0.000 2.208 173 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 173 I C 2.388 178.421 176.117 -0.140 0.000 1.097 173 I CA 1.219 62.426 61.300 -0.155 0.000 1.363 173 I CB -1.505 36.448 38.000 -0.077 0.000 1.051 173 I HN -0.040 nan 8.210 nan 0.000 0.413 174 A N 0.768 123.512 122.820 -0.127 0.000 1.902 174 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 174 A C 2.536 180.054 177.584 -0.110 0.000 1.181 174 A CA 1.844 53.814 52.037 -0.113 0.000 0.623 174 A CB -0.731 18.208 19.000 -0.102 0.000 0.818 174 A HN 0.414 nan 8.150 nan 0.000 0.443 175 A N -1.487 121.260 122.820 -0.121 0.000 2.015 175 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 175 A C 2.074 179.573 177.584 -0.141 0.000 1.163 175 A CA 1.579 53.548 52.037 -0.112 0.000 0.646 175 A CB -0.915 18.022 19.000 -0.105 0.000 0.806 175 A HN 0.592 nan 8.150 nan 0.000 0.448 176 C N -1.804 117.364 119.300 -0.221 0.000 2.563 176 C HA 0.432 4.892 4.460 -0.000 0.000 0.268 176 C C 1.930 176.729 174.990 -0.319 0.000 1.365 176 C CA 0.212 58.995 59.018 -0.391 0.000 1.754 176 C CB -0.890 26.433 27.740 -0.695 0.000 1.932 176 C HN 1.059 nan 8.230 nan 0.000 0.536 177 G N 1.449 110.147 108.800 -0.170 0.000 2.198 177 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.257 177 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.257 177 G C 0.264 175.149 174.900 -0.026 0.000 1.042 177 G CA 0.607 45.662 45.100 -0.074 0.000 0.791 177 G HN 0.561 nan 8.290 nan 0.000 0.502 178 S N -2.110 113.563 115.700 -0.044 0.000 2.521 178 S HA 0.830 5.300 4.470 -0.000 0.000 0.278 178 S C 0.414 175.054 174.600 0.067 0.000 1.140 178 S CA 0.238 58.501 58.200 0.105 0.000 1.028 178 S CB 1.488 64.834 63.200 0.243 0.000 1.203 178 S HN 0.944 nan 8.310 nan 0.000 0.491 179 V N 1.402 121.407 119.914 0.152 0.000 2.789 179 V HA 0.649 4.769 4.120 -0.000 0.000 0.311 179 V C -0.988 175.229 176.094 0.205 0.000 1.073 179 V CA -0.700 61.628 62.300 0.046 0.000 0.921 179 V CB 1.580 33.306 31.823 -0.161 0.000 1.009 179 V HN 0.741 nan 8.190 nan 0.000 0.426 180 I N 5.056 125.687 120.570 0.101 0.000 2.465 180 I HA 0.766 4.936 4.170 -0.000 0.000 0.291 180 I C -0.496 175.704 176.117 0.137 0.000 1.014 180 I CA -0.407 61.004 61.300 0.185 0.000 1.093 180 I CB 1.899 39.964 38.000 0.108 0.000 1.267 180 I HN 0.535 nan 8.210 nan 0.000 0.431 181 V N 6.843 126.877 119.914 0.200 0.000 2.715 181 V HA 0.953 5.073 4.120 -0.000 0.000 0.310 181 V C -0.733 175.432 176.094 0.120 0.000 1.054 181 V CA -0.490 61.884 62.300 0.122 0.000 0.928 181 V CB 1.388 33.274 31.823 0.104 0.000 1.007 181 V HN 0.864 nan 8.190 nan 0.000 0.437 182 V N 1.115 121.093 119.914 0.107 0.000 3.078 182 V HA 0.656 4.776 4.120 -0.000 0.000 0.311 182 V C -0.722 175.455 176.094 0.138 0.000 1.138 182 V CA -0.682 61.716 62.300 0.163 0.000 1.007 182 V CB 1.666 33.631 31.823 0.237 0.000 1.045 182 V HN 1.284 nan 8.190 nan 0.000 0.432 183 H N 2.599 121.742 119.070 0.122 0.000 2.641 183 H HA 0.776 5.332 4.556 -0.000 0.000 0.295 183 H C 0.073 175.516 175.328 0.192 0.000 1.070 183 H CA 0.150 56.328 56.048 0.216 0.000 1.257 183 H CB 1.124 31.042 29.762 0.261 0.000 1.393 183 H HN 1.221 nan 8.280 nan 0.000 0.464 184 A N 5.650 128.573 122.820 0.173 0.000 2.366 184 A HA 0.367 4.687 4.320 -0.000 0.000 0.322 184 A C -0.459 177.207 177.584 0.137 0.000 1.397 184 A CA -0.458 51.676 52.037 0.163 0.000 0.984 184 A CB 0.162 19.224 19.000 0.102 0.000 1.149 184 A HN 0.890 nan 8.150 nan 0.000 0.540 185 E N 1.106 121.424 120.200 0.196 0.000 2.433 185 E HA 0.209 4.559 4.350 -0.000 0.000 0.278 185 E C -1.300 175.344 176.600 0.073 0.000 0.976 185 E CA -1.006 55.462 56.400 0.114 0.000 0.793 185 E CB 1.660 31.465 29.700 0.175 0.000 1.311 185 E HN 0.559 nan 8.360 nan 0.000 0.460 186 N N 1.985 120.689 118.700 0.007 0.000 2.500 186 N HA 0.006 4.746 4.740 -0.000 0.000 0.236 186 N C 0.482 175.992 175.510 0.001 0.000 1.022 186 N CA 0.285 53.336 53.050 0.001 0.000 0.935 186 N CB 1.164 39.634 38.487 -0.029 0.000 1.147 186 N HN 0.660 nan 8.380 nan 0.000 0.512 187 E N 2.266 122.478 120.200 0.020 0.000 2.049 187 E HA -0.209 4.141 4.350 -0.000 0.000 0.198 187 E C 0.903 177.506 176.600 0.006 0.000 1.007 187 E CA 1.903 58.312 56.400 0.016 0.000 0.809 187 E CB 0.111 29.823 29.700 0.020 0.000 0.749 187 E HN 0.517 nan 8.360 nan 0.000 0.450 188 T N 0.169 114.726 114.554 0.006 0.000 2.788 188 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 188 T C 1.749 176.452 174.700 0.004 0.000 1.044 188 T CA 1.292 63.395 62.100 0.005 0.000 1.139 188 T CB -0.159 68.715 68.868 0.010 0.000 0.867 188 T HN 0.191 nan 8.240 nan 0.000 0.454 189 I N 0.185 120.755 120.570 0.000 0.000 2.406 189 I HA -0.045 4.125 4.170 -0.000 0.000 0.249 189 I C 2.086 178.191 176.117 -0.020 0.000 1.122 189 I CA 0.898 62.199 61.300 0.002 0.000 1.431 189 I CB -0.208 37.781 38.000 -0.019 0.000 1.087 189 I HN 0.231 nan 8.210 nan 0.000 0.424 190 I N 0.455 121.004 120.570 -0.035 0.000 2.208 190 I HA -0.340 3.830 4.170 -0.000 0.000 0.245 190 I C 2.565 178.674 176.117 -0.014 0.000 1.097 190 I CA 1.550 62.834 61.300 -0.027 0.000 1.363 190 I CB -0.412 37.584 38.000 -0.008 0.000 1.051 190 I HN 0.320 nan 8.210 nan 0.000 0.413 191 Q N 0.560 120.351 119.800 -0.014 0.000 2.061 191 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 191 Q C 2.490 178.466 176.000 -0.039 0.000 0.984 191 Q CA 1.899 57.684 55.803 -0.029 0.000 0.846 191 Q CB -0.332 28.393 28.738 -0.021 0.000 0.902 191 Q HN 0.591 nan 8.270 nan 0.000 0.421 192 A N 0.981 123.790 122.820 -0.018 0.000 1.883 192 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 192 A C 2.097 179.673 177.584 -0.013 0.000 1.186 192 A CA 1.274 53.304 52.037 -0.011 0.000 0.624 192 A CB -0.793 18.215 19.000 0.013 0.000 0.822 192 A HN 0.298 nan 8.150 nan 0.000 0.444 193 L N -1.067 120.156 121.223 0.001 0.000 2.083 193 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 193 L C 2.895 179.749 176.870 -0.026 0.000 1.083 193 L CA 1.539 56.387 54.840 0.013 0.000 0.752 193 L CB -0.607 41.471 42.059 0.033 0.000 0.899 193 L HN 0.503 nan 8.230 nan 0.000 0.433 194 Q N 0.045 119.799 119.800 -0.075 0.000 2.061 194 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 194 Q C 2.279 178.111 176.000 -0.280 0.000 0.984 194 Q CA 1.647 57.313 55.803 -0.229 0.000 0.846 194 Q CB 0.018 28.594 28.738 -0.270 0.000 0.902 194 Q HN 0.444 nan 8.270 nan 0.000 0.421 195 K N 0.286 120.580 120.400 -0.178 0.000 2.026 195 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 195 K C 2.167 178.704 176.600 -0.105 0.000 1.048 195 K CA 1.429 57.627 56.287 -0.150 0.000 0.929 195 K CB -0.108 32.335 32.500 -0.096 0.000 0.713 195 K HN 0.298 nan 8.250 nan 0.000 0.439 196 Q N 0.631 120.395 119.800 -0.059 0.000 2.030 196 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 196 Q C 2.275 178.267 176.000 -0.014 0.000 0.986 196 Q CA 1.440 57.229 55.803 -0.024 0.000 0.843 196 Q CB -0.272 28.468 28.738 0.004 0.000 0.904 196 Q HN 0.339 nan 8.270 nan 0.000 0.420 197 I N 0.741 121.308 120.570 -0.005 0.000 2.226 197 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 197 I C 2.389 178.533 176.117 0.045 0.000 1.100 197 I CA 1.202 62.538 61.300 0.059 0.000 1.374 197 I CB -0.181 37.912 38.000 0.156 0.000 1.057 197 I HN 0.161 nan 8.210 nan 0.000 0.413 198 K N 0.716 121.048 120.400 -0.114 0.000 2.057 198 K HA -0.151 4.168 4.320 -0.000 0.000 0.207 198 K C 2.262 178.831 176.600 -0.052 0.000 1.049 198 K CA 1.449 57.643 56.287 -0.154 0.000 0.931 198 K CB -0.223 32.024 32.500 -0.420 0.000 0.714 198 K HN 0.300 nan 8.250 nan 0.000 0.440 199 A N 1.268 124.052 122.820 -0.059 0.000 1.940 199 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 199 A C 2.147 179.734 177.584 0.004 0.000 1.176 199 A CA 1.940 53.961 52.037 -0.028 0.000 0.631 199 A CB -0.588 18.394 19.000 -0.030 0.000 0.814 199 A HN 0.360 nan 8.150 nan 0.000 0.446 200 A N -1.455 121.377 122.820 0.021 0.000 2.252 200 A HA 0.405 4.725 4.320 -0.000 0.000 0.207 200 A C 1.654 179.272 177.584 0.056 0.000 1.194 200 A CA 1.111 53.170 52.037 0.037 0.000 0.809 200 A CB -1.281 17.745 19.000 0.045 0.000 0.814 200 A HN 1.983 nan 8.150 nan 0.000 0.482 201 G N -1.373 107.466 108.800 0.064 0.000 2.198 201 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.257 201 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.257 201 G C 0.523 175.505 174.900 0.137 0.000 1.042 201 G CA 0.182 45.335 45.100 0.089 0.000 0.791 201 G HN 1.392 nan 8.290 nan 0.000 0.502 202 G N -0.730 108.189 108.800 0.199 0.000 2.353 202 G HA2 0.572 4.532 3.960 -0.000 0.000 0.284 202 G HA3 0.572 4.532 3.960 -0.000 0.000 0.284 202 G C 0.486 175.615 174.900 0.382 0.000 1.172 202 G CA -0.314 44.934 45.100 0.246 0.000 0.854 202 G HN 0.379 nan 8.290 nan 0.000 0.485 203 K N 1.388 121.887 120.400 0.165 0.000 2.553 203 K HA 0.104 4.424 4.320 -0.000 0.000 0.205 203 K C -0.200 176.286 176.600 -0.190 0.000 1.168 203 K CA -0.481 55.812 56.287 0.010 0.000 1.043 203 K CB 0.784 33.325 32.500 0.067 0.000 0.967 203 K HN 0.460 nan 8.250 nan 0.000 0.585 204 D N 0.761 121.092 120.400 -0.116 0.000 2.372 204 D HA 0.032 4.672 4.640 -0.000 0.000 0.243 204 D C 1.211 177.391 176.300 -0.201 0.000 1.297 204 D CA 0.278 54.208 54.000 -0.116 0.000 0.958 204 D CB 0.733 41.511 40.800 -0.037 0.000 1.114 204 D HN -0.156 nan 8.370 nan 0.000 0.496 205 M N 0.228 119.750 119.600 -0.130 0.000 2.394 205 M HA 0.026 4.506 4.480 -0.000 0.000 0.266 205 M C 1.833 178.120 176.300 -0.022 0.000 1.098 205 M CA 0.647 55.881 55.300 -0.110 0.000 1.149 205 M CB -0.983 31.558 32.600 -0.097 0.000 1.369 205 M HN 0.433 nan 8.290 nan 0.000 0.450 206 A N 0.172 122.979 122.820 -0.022 0.000 1.902 206 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 206 A C 2.331 179.920 177.584 0.008 0.000 1.181 206 A CA 2.078 54.117 52.037 0.002 0.000 0.623 206 A CB -0.918 18.090 19.000 0.012 0.000 0.818 206 A HN 0.458 nan 8.150 nan 0.000 0.443 207 A N -1.384 121.440 122.820 0.006 0.000 1.933 207 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 207 A C 2.125 179.756 177.584 0.078 0.000 1.175 207 A CA 1.761 53.843 52.037 0.074 0.000 0.628 207 A CB -0.795 18.274 19.000 0.115 0.000 0.814 207 A HN 0.774 nan 8.150 nan 0.000 0.444 208 Y N 0.594 120.752 120.300 -0.238 0.000 2.089 208 Y HA -0.201 4.349 4.550 -0.000 0.000 0.282 208 Y C 2.374 178.252 175.900 -0.037 0.000 1.139 208 Y CA 2.148 60.094 58.100 -0.257 0.000 1.123 208 Y CB -0.493 37.729 38.460 -0.397 0.000 0.980 208 Y HN 0.390 nan 8.280 nan 0.000 0.493 209 E N 0.737 120.753 120.200 -0.307 0.000 2.114 209 E HA -0.272 4.078 4.350 -0.000 0.000 0.199 209 E C 2.202 178.679 176.600 -0.205 0.000 1.008 209 E CA 1.568 57.776 56.400 -0.320 0.000 0.810 209 E CB -0.462 29.176 29.700 -0.103 0.000 0.739 209 E HN 0.586 nan 8.360 nan 0.000 0.456 210 A N 0.648 123.422 122.820 -0.078 0.000 2.067 210 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 210 A C 2.289 179.875 177.584 0.003 0.000 1.158 210 A CA 1.828 53.861 52.037 -0.006 0.000 0.661 210 A CB -0.520 18.509 19.000 0.049 0.000 0.801 210 A HN 0.406 nan 8.150 nan 0.000 0.452 211 S N -1.122 114.584 115.700 0.011 0.000 2.489 211 S HA -0.015 4.455 4.470 -0.000 0.000 0.228 211 S C 0.843 175.408 174.600 -0.059 0.000 0.995 211 S CA 0.634 58.867 58.200 0.056 0.000 0.934 211 S CB -0.122 63.242 63.200 0.274 0.000 0.771 211 S HN 0.638 nan 8.310 nan 0.000 0.522 212 Q N 1.914 121.610 119.800 -0.174 0.000 3.048 212 Q HA 0.349 4.689 4.340 -0.000 0.000 0.337 212 Q C -2.790 173.082 176.000 -0.212 0.000 0.845 212 Q CA -1.993 53.690 55.803 -0.201 0.000 0.942 212 Q CB 1.560 30.162 28.738 -0.226 0.000 1.454 212 Q HN 0.432 nan 8.270 nan 0.000 0.392 213 P HA -0.092 nan 4.420 nan 0.000 0.271 213 P C 1.258 178.455 177.300 -0.172 0.000 1.238 213 P CA 0.047 63.065 63.100 -0.136 0.000 0.794 213 P CB 1.001 32.689 31.700 -0.019 0.000 0.959 214 V N -0.824 119.058 119.914 -0.053 0.000 2.427 214 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 214 V C 2.276 178.360 176.094 -0.017 0.000 1.051 214 V CA 2.051 64.330 62.300 -0.036 0.000 1.048 214 V CB -2.176 29.657 31.823 0.017 0.000 0.666 214 V HN 0.516 nan 8.190 nan 0.000 0.456 215 F N 3.696 123.641 119.950 -0.008 0.000 2.202 215 F HA -0.144 4.383 4.527 -0.000 0.000 0.301 215 F C 2.161 177.962 175.800 0.002 0.000 1.082 215 F CA 1.898 59.897 58.000 -0.002 0.000 1.313 215 F CB -1.131 37.869 39.000 -0.000 0.000 1.024 215 F HN 0.432 nan 8.300 nan 0.000 0.495 216 Q N 0.765 120.058 119.800 -0.845 0.000 2.212 216 Q HA -0.071 4.269 4.340 -0.000 0.000 0.199 216 Q C 2.029 177.900 176.000 -0.216 0.000 0.950 216 Q CA 1.577 57.036 55.803 -0.574 0.000 0.863 216 Q CB -0.990 27.329 28.738 -0.698 0.000 0.944 216 Q HN 0.728 nan 8.270 nan 0.000 0.465 217 E N 1.148 121.240 120.200 -0.179 0.000 2.072 217 E HA -0.203 4.146 4.350 -0.000 0.000 0.191 217 E C 1.409 177.987 176.600 -0.037 0.000 0.985 217 E CA 1.351 57.699 56.400 -0.087 0.000 0.801 217 E CB -0.163 29.481 29.700 -0.094 0.000 0.750 217 E HN 0.650 nan 8.360 nan 0.000 0.452 218 N N 0.218 118.906 118.700 -0.021 0.000 2.309 218 N HA -0.151 4.588 4.740 -0.000 0.000 0.182 218 N C 1.864 177.398 175.510 0.040 0.000 1.018 218 N CA 0.572 53.633 53.050 0.019 0.000 0.876 218 N CB 0.003 38.515 38.487 0.042 0.000 0.972 218 N HN 0.177 nan 8.380 nan 0.000 0.434 219 E N 1.843 122.071 120.200 0.047 0.000 2.072 219 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 219 E C 1.855 178.483 176.600 0.047 0.000 0.985 219 E CA 0.952 57.391 56.400 0.065 0.000 0.801 219 E CB -0.058 29.696 29.700 0.090 0.000 0.750 219 E HN 0.317 nan 8.360 nan 0.000 0.452 220 A N 1.250 124.091 122.820 0.034 0.000 1.933 220 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 220 A C 2.411 180.032 177.584 0.063 0.000 1.175 220 A CA 1.269 53.336 52.037 0.049 0.000 0.628 220 A CB -0.616 18.416 19.000 0.054 0.000 0.814 220 A HN 0.314 nan 8.150 nan 0.000 0.444 221 I N -0.974 119.626 120.570 0.051 0.000 2.179 221 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 221 I C 2.787 178.941 176.117 0.061 0.000 1.088 221 I CA 1.857 63.190 61.300 0.055 0.000 1.357 221 I CB -0.339 37.682 38.000 0.034 0.000 1.051 221 I HN 0.463 nan 8.210 nan 0.000 0.409 222 Q N 0.883 120.715 119.800 0.053 0.000 2.096 222 Q HA -0.252 4.087 4.340 -0.000 0.000 0.204 222 Q C 2.359 178.394 176.000 0.059 0.000 0.982 222 Q CA 1.739 57.572 55.803 0.051 0.000 0.850 222 Q CB -0.083 28.683 28.738 0.047 0.000 0.901 222 Q HN 0.263 nan 8.270 nan 0.000 0.422 223 R N -0.806 119.731 120.500 0.062 0.000 2.066 223 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 223 R C 2.159 178.518 176.300 0.098 0.000 1.131 223 R CA 1.221 57.358 56.100 0.062 0.000 0.955 223 R CB -0.354 29.975 30.300 0.047 0.000 0.851 223 R HN 0.363 nan 8.270 nan 0.000 0.432 224 A N 0.905 123.803 122.820 0.129 0.000 1.902 224 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 224 A C 1.983 179.719 177.584 0.254 0.000 1.181 224 A CA 1.065 53.242 52.037 0.234 0.000 0.623 224 A CB -0.499 18.646 19.000 0.241 0.000 0.818 224 A HN 0.217 nan 8.150 nan 0.000 0.443 225 L N -0.971 120.340 121.223 0.146 0.000 2.012 225 L HA -0.159 4.180 4.340 -0.000 0.000 0.210 225 L C 2.382 179.318 176.870 0.111 0.000 1.073 225 L CA 1.481 56.381 54.840 0.100 0.000 0.748 225 L CB -1.112 40.980 42.059 0.055 0.000 0.891 225 L HN 0.292 nan 8.230 nan 0.000 0.431 226 L N -1.330 119.954 121.223 0.102 0.000 2.083 226 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 226 L C 2.348 179.299 176.870 0.136 0.000 1.083 226 L CA 1.504 56.396 54.840 0.087 0.000 0.752 226 L CB -0.687 41.403 42.059 0.053 0.000 0.899 226 L HN 0.198 nan 8.230 nan 0.000 0.433 227 L N -1.242 120.108 121.223 0.211 0.000 2.179 227 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 227 L C 2.481 179.655 176.870 0.507 0.000 1.096 227 L CA 0.867 55.912 54.840 0.341 0.000 0.779 227 L CB -0.587 41.640 42.059 0.280 0.000 0.922 227 L HN 0.367 nan 8.230 nan 0.000 0.443 228 Q N 1.309 121.367 119.800 0.430 0.000 2.123 228 Q HA -0.225 4.115 4.340 -0.000 0.000 0.199 228 Q C 1.953 178.023 176.000 0.117 0.000 0.966 228 Q CA 1.673 57.586 55.803 0.183 0.000 0.845 228 Q CB -0.286 28.415 28.738 -0.061 0.000 0.907 228 Q HN 0.135 nan 8.270 nan 0.000 0.439 229 K N 0.551 121.018 120.400 0.112 0.000 2.127 229 K HA -0.251 4.069 4.320 -0.000 0.000 0.208 229 K C 1.825 178.481 176.600 0.093 0.000 1.047 229 K CA 2.003 58.332 56.287 0.070 0.000 0.927 229 K CB -0.303 32.233 32.500 0.060 0.000 0.716 229 K HN 0.418 nan 8.250 nan 0.000 0.450 230 E N -1.151 119.148 120.200 0.166 0.000 2.190 230 E HA 0.182 4.532 4.350 -0.000 0.000 0.191 230 E C 1.534 178.270 176.600 0.227 0.000 0.978 230 E CA 0.952 57.474 56.400 0.203 0.000 0.839 230 E CB -0.004 29.854 29.700 0.263 0.000 0.787 230 E HN 0.347 nan 8.360 nan 0.000 0.473 231 A N -0.487 122.474 122.820 0.236 0.000 1.984 231 A HA 0.334 4.654 4.320 -0.000 0.000 0.214 231 A C 1.943 179.532 177.584 0.007 0.000 1.173 231 A CA 1.031 53.124 52.037 0.093 0.000 0.673 231 A CB -0.558 18.498 19.000 0.093 0.000 0.830 231 A HN 0.457 nan 8.150 nan 0.000 0.453 232 G N -1.200 107.597 108.800 -0.005 0.000 2.148 232 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.254 232 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.254 232 G C 0.466 175.313 174.900 -0.090 0.000 0.981 232 G CA 0.519 45.593 45.100 -0.043 0.000 0.670 232 G HN 1.544 nan 8.290 nan 0.000 0.528 233 C N -0.608 118.600 119.300 -0.153 0.000 2.534 233 C HA 0.804 5.264 4.460 -0.000 0.000 0.385 233 C C 1.174 176.045 174.990 -0.198 0.000 1.264 233 C CA -1.586 57.319 59.018 -0.189 0.000 2.342 233 C CB 0.862 28.442 27.740 -0.267 0.000 2.564 233 C HN 0.599 nan 8.230 nan 0.000 0.603 234 R N 1.299 121.715 120.500 -0.141 0.000 2.449 234 R HA 0.441 4.780 4.340 -0.000 0.000 0.296 234 R C -0.866 175.349 176.300 -0.142 0.000 1.047 234 R CA -0.206 55.833 56.100 -0.102 0.000 1.018 234 R CB 0.292 30.529 30.300 -0.106 0.000 0.962 234 R HN 0.804 nan 8.270 nan 0.000 0.428 235 L N 6.148 127.312 121.223 -0.098 0.000 2.362 235 L HA 0.531 4.871 4.340 -0.000 0.000 0.275 235 L C -1.221 175.661 176.870 0.020 0.000 0.998 235 L CA -0.392 54.379 54.840 -0.116 0.000 0.820 235 L CB 1.766 43.692 42.059 -0.221 0.000 1.270 235 L HN 0.563 nan 8.230 nan 0.000 0.415 236 I N 5.604 126.183 120.570 0.016 0.000 2.418 236 I HA 0.354 4.524 4.170 -0.000 0.000 0.287 236 I C -0.719 175.425 176.117 0.045 0.000 1.008 236 I CA -0.980 60.352 61.300 0.053 0.000 1.104 236 I CB 2.011 40.028 38.000 0.027 0.000 1.264 236 I HN 0.270 nan 8.210 nan 0.000 0.438 237 V N 7.275 127.215 119.914 0.043 0.000 2.408 237 V HA 0.237 4.357 4.120 -0.000 0.000 0.267 237 V C 0.533 176.620 176.094 -0.012 0.000 1.047 237 V CA -0.351 61.964 62.300 0.026 0.000 0.937 237 V CB 0.829 32.672 31.823 0.032 0.000 0.999 237 V HN 0.492 nan 8.190 nan 0.000 0.472 238 L N 5.095 126.257 121.223 -0.102 0.000 2.464 238 L HA 0.293 4.633 4.340 -0.000 0.000 0.264 238 L C 0.795 177.501 176.870 -0.273 0.000 1.199 238 L CA -0.782 53.905 54.840 -0.255 0.000 0.818 238 L CB 0.003 41.738 42.059 -0.541 0.000 1.102 238 L HN 1.019 nan 8.230 nan 0.000 0.473 239 H N -0.686 118.472 119.070 0.147 0.000 1.799 239 H HA -0.124 4.432 4.556 -0.000 0.000 0.315 239 H C -0.876 174.320 175.328 -0.220 0.000 0.805 239 H CA -0.274 55.808 56.048 0.056 0.000 1.047 239 H CB -2.170 27.728 29.762 0.226 0.000 1.526 239 H HN 0.169 nan 8.280 nan 0.000 0.272 240 V N 2.655 122.525 119.914 -0.074 0.000 2.432 240 V HA 0.112 4.231 4.120 -0.000 0.000 0.271 240 V C 1.491 177.324 176.094 -0.436 0.000 1.046 240 V CA 0.478 62.670 62.300 -0.179 0.000 0.945 240 V CB 1.304 33.075 31.823 -0.088 0.000 0.992 240 V HN 0.949 nan 8.190 nan 0.000 0.471 241 S N 3.569 118.934 115.700 -0.558 0.000 2.501 241 S HA 0.058 4.528 4.470 -0.000 0.000 0.220 241 S C 0.518 174.966 174.600 -0.254 0.000 0.997 241 S CA 0.196 57.985 58.200 -0.686 0.000 0.919 241 S CB -0.273 62.578 63.200 -0.582 0.000 0.778 241 S HN 0.926 nan 8.310 nan 0.000 0.523 242 N N -0.259 118.345 118.700 -0.161 0.000 2.262 242 N HA 0.586 5.326 4.740 -0.000 0.000 0.295 242 N C -2.794 172.689 175.510 -0.045 0.000 1.161 242 N CA -2.049 50.959 53.050 -0.070 0.000 0.767 242 N CB 1.371 39.832 38.487 -0.044 0.000 1.499 242 N HN -0.275 nan 8.380 nan 0.000 0.476 243 P HA -0.153 nan 4.420 nan 0.000 0.216 243 P C 0.191 177.492 177.300 0.000 0.000 1.153 243 P CA 1.290 64.387 63.100 -0.005 0.000 0.858 243 P CB 0.120 31.828 31.700 0.014 0.000 0.789 244 D N -0.922 119.482 120.400 0.007 0.000 2.178 244 D HA -0.086 4.554 4.640 -0.000 0.000 0.201 244 D C 2.231 178.539 176.300 0.013 0.000 0.980 244 D CA 1.634 55.643 54.000 0.016 0.000 0.842 244 D CB -0.946 39.868 40.800 0.024 0.000 0.948 244 D HN 0.211 nan 8.370 nan 0.000 0.472 245 G N 0.762 109.561 108.800 -0.001 0.000 2.403 245 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.216 245 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.216 245 G C 1.896 176.798 174.900 0.003 0.000 1.154 245 G CA 0.412 45.510 45.100 -0.003 0.000 0.784 245 G HN 0.204 nan 8.290 nan 0.000 0.538 246 V N 0.642 120.551 119.914 -0.007 0.000 2.287 246 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 246 V C 2.642 178.759 176.094 0.037 0.000 1.053 246 V CA 2.351 64.650 62.300 -0.000 0.000 1.027 246 V CB -0.499 31.308 31.823 -0.026 0.000 0.646 246 V HN 0.420 nan 8.190 nan 0.000 0.447 247 E N -0.411 119.811 120.200 0.037 0.000 2.058 247 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 247 E C 2.099 178.744 176.600 0.076 0.000 0.997 247 E CA 1.174 57.617 56.400 0.072 0.000 0.801 247 E CB -0.203 29.527 29.700 0.050 0.000 0.746 247 E HN 0.305 nan 8.360 nan 0.000 0.450 248 L N 0.508 121.758 121.223 0.045 0.000 2.013 248 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 248 L C 2.097 178.983 176.870 0.026 0.000 1.073 248 L CA 1.649 56.508 54.840 0.032 0.000 0.753 248 L CB -0.572 41.503 42.059 0.027 0.000 0.890 248 L HN 0.266 nan 8.230 nan 0.000 0.432 249 I N -2.153 118.436 120.570 0.033 0.000 2.202 249 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 249 I C 2.527 178.655 176.117 0.018 0.000 1.091 249 I CA 1.101 62.410 61.300 0.015 0.000 1.368 249 I CB -0.405 37.606 38.000 0.019 0.000 1.058 249 I HN 0.319 nan 8.210 nan 0.000 0.410 250 H N 1.008 120.055 119.070 -0.038 0.000 2.319 250 H HA -0.267 4.289 4.556 -0.000 0.000 0.299 250 H C 2.166 177.470 175.328 -0.039 0.000 1.092 250 H CA 2.254 58.279 56.048 -0.039 0.000 1.302 250 H CB -0.142 29.607 29.762 -0.022 0.000 1.373 250 H HN 0.204 nan 8.280 nan 0.000 0.497 251 Q N 0.401 120.166 119.800 -0.058 0.000 2.077 251 Q HA -0.123 4.217 4.340 -0.000 0.000 0.206 251 Q C 2.380 178.306 176.000 -0.122 0.000 0.989 251 Q CA 2.226 57.968 55.803 -0.102 0.000 0.853 251 Q CB -0.840 27.885 28.738 -0.022 0.000 0.907 251 Q HN 0.546 nan 8.270 nan 0.000 0.418 252 A N 0.467 123.235 122.820 -0.087 0.000 1.898 252 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 252 A C 2.041 179.549 177.584 -0.127 0.000 1.181 252 A CA 1.762 53.748 52.037 -0.084 0.000 0.620 252 A CB -0.823 18.144 19.000 -0.055 0.000 0.819 252 A HN 0.715 nan 8.150 nan 0.000 0.442 253 Q N -0.742 118.955 119.800 -0.171 0.000 2.119 253 Q HA -0.109 4.231 4.340 -0.000 0.000 0.201 253 Q C 1.969 177.849 176.000 -0.200 0.000 0.972 253 Q CA 1.887 57.566 55.803 -0.207 0.000 0.847 253 Q CB -0.582 28.005 28.738 -0.251 0.000 0.903 253 Q HN 0.487 nan 8.270 nan 0.000 0.433 254 S N 0.445 115.986 115.700 -0.266 0.000 2.469 254 S HA -0.136 4.334 4.470 -0.000 0.000 0.238 254 S C 1.227 175.740 174.600 -0.145 0.000 0.998 254 S CA 1.135 59.185 58.200 -0.250 0.000 0.957 254 S CB -0.121 62.864 63.200 -0.359 0.000 0.764 254 S HN 0.564 nan 8.310 nan 0.000 0.514 255 E N -0.542 119.585 120.200 -0.121 0.000 2.463 255 E HA 0.290 4.640 4.350 -0.000 0.000 0.193 255 E C 1.147 177.706 176.600 -0.069 0.000 1.041 255 E CA 0.286 56.639 56.400 -0.080 0.000 0.879 255 E CB 0.237 29.899 29.700 -0.063 0.000 0.997 255 E HN 0.634 nan 8.360 nan 0.000 0.478 256 G N 1.301 110.052 108.800 -0.082 0.000 2.201 256 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.212 256 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.212 256 G C 0.161 175.017 174.900 -0.074 0.000 0.994 256 G CA -0.497 44.562 45.100 -0.068 0.000 0.644 256 G HN 0.229 nan 8.290 nan 0.000 0.508 257 Q N 0.688 120.435 119.800 -0.090 0.000 2.304 257 Q HA 0.335 4.675 4.340 -0.000 0.000 0.260 257 Q C -0.493 175.421 176.000 -0.145 0.000 0.965 257 Q CA -0.296 55.450 55.803 -0.096 0.000 0.898 257 Q CB 1.096 29.783 28.738 -0.086 0.000 1.196 257 Q HN 0.168 nan 8.270 nan 0.000 0.402 258 D N 2.938 123.267 120.400 -0.118 0.000 2.767 258 D HA 0.108 4.748 4.640 -0.000 0.000 0.231 258 D C -0.951 175.233 176.300 -0.193 0.000 1.105 258 D CA -0.133 53.800 54.000 -0.112 0.000 1.024 258 D CB -0.298 40.488 40.800 -0.023 0.000 1.123 258 D HN 0.300 nan 8.370 nan 0.000 0.470 259 V N -0.614 119.047 119.914 -0.423 0.000 2.769 259 V HA 0.674 4.794 4.120 -0.000 0.000 0.312 259 V C -0.578 175.056 176.094 -0.768 0.000 1.061 259 V CA -0.717 61.361 62.300 -0.370 0.000 0.931 259 V CB 2.236 33.948 31.823 -0.185 0.000 1.010 259 V HN 0.250 nan 8.190 nan 0.000 0.433 260 H N 1.538 120.580 119.070 -0.047 0.000 2.928 260 H HA 0.569 5.125 4.556 -0.000 0.000 0.371 260 H C -1.189 174.133 175.328 -0.009 0.000 1.186 260 H CA -0.470 55.563 56.048 -0.026 0.000 1.134 260 H CB 2.104 31.836 29.762 -0.049 0.000 1.824 260 H HN 1.012 nan 8.280 nan 0.000 0.554 261 C N 1.860 121.229 119.300 0.115 0.000 2.322 261 C HA 0.364 4.824 4.460 -0.000 0.000 0.324 261 C C 0.085 175.113 174.990 0.064 0.000 1.284 261 C CA -0.219 58.839 59.018 0.066 0.000 1.606 261 C CB 0.021 27.785 27.740 0.040 0.000 2.251 261 C HN 0.863 nan 8.230 nan 0.000 0.502 262 E N 4.045 124.278 120.200 0.055 0.000 2.212 262 E HA 0.616 4.966 4.350 -0.000 0.000 0.268 262 E C -0.901 175.736 176.600 0.062 0.000 0.902 262 E CA -0.099 56.343 56.400 0.070 0.000 0.779 262 E CB 1.948 31.708 29.700 0.099 0.000 1.172 262 E HN 0.770 nan 8.360 nan 0.000 0.409 263 S N 1.585 117.329 115.700 0.073 0.000 2.806 263 S HA 0.926 5.396 4.470 -0.000 0.000 0.306 263 S C -0.897 173.800 174.600 0.161 0.000 1.167 263 S CA -0.063 58.195 58.200 0.096 0.000 0.847 263 S CB 1.721 64.929 63.200 0.014 0.000 1.216 263 S HN 0.659 nan 8.310 nan 0.000 0.532 264 G N 0.433 109.384 108.800 0.251 0.000 2.684 264 G HA2 0.546 4.506 3.960 -0.000 0.000 0.290 264 G HA3 0.546 4.506 3.960 -0.000 0.000 0.290 264 G C -2.614 172.346 174.900 0.100 0.000 1.425 264 G CA -1.068 44.132 45.100 0.166 0.000 0.822 264 G HN 0.405 nan 8.290 nan 0.000 0.482 265 P HA -0.170 nan 4.420 nan 0.000 0.220 265 P C 1.079 178.467 177.300 0.146 0.000 1.144 265 P CA 1.249 64.371 63.100 0.036 0.000 0.800 265 P CB 0.328 32.025 31.700 -0.004 0.000 0.772 266 Q N -1.047 118.810 119.800 0.096 0.000 2.167 266 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 266 Q C 1.875 177.773 176.000 -0.172 0.000 0.970 266 Q CA 1.477 57.264 55.803 -0.027 0.000 0.855 266 Q CB -1.237 27.283 28.738 -0.364 0.000 0.911 266 Q HN 0.367 nan 8.270 nan 0.000 0.438 267 Y N -0.261 120.079 120.300 0.066 0.000 2.475 267 Y HA 0.122 4.672 4.550 -0.000 0.000 0.289 267 Y C 1.671 177.560 175.900 -0.018 0.000 1.121 267 Y CA 0.385 58.497 58.100 0.019 0.000 1.257 267 Y CB 0.101 38.555 38.460 -0.010 0.000 1.026 267 Y HN 0.018 nan 8.280 nan 0.000 0.555 268 L N -0.538 120.705 121.223 0.033 0.000 2.202 268 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 268 L C 1.249 178.233 176.870 0.189 0.000 1.083 268 L CA 0.757 55.487 54.840 -0.185 0.000 0.790 268 L CB -0.169 41.480 42.059 -0.684 0.000 0.942 268 L HN 0.179 nan 8.230 nan 0.000 0.452 269 N N -0.034 118.812 118.700 0.244 0.000 2.270 269 N HA 0.294 5.034 4.740 -0.000 0.000 0.198 269 N C -0.008 175.711 175.510 0.347 0.000 1.117 269 N CA 0.370 53.635 53.050 0.358 0.000 0.845 269 N CB 1.443 40.106 38.487 0.292 0.000 0.980 269 N HN 0.247 nan 8.380 nan 0.000 0.486 270 I N -0.375 120.347 120.570 0.253 0.000 2.769 270 I HA 0.276 4.445 4.170 -0.000 0.000 0.298 270 I C -0.370 175.832 176.117 0.141 0.000 1.128 270 I CA -0.469 60.933 61.300 0.169 0.000 1.031 270 I CB 2.620 40.662 38.000 0.071 0.000 1.235 270 I HN -0.298 nan 8.210 nan 0.000 0.423 271 T N 0.603 115.225 114.554 0.114 0.000 2.901 271 T HA 0.211 4.561 4.350 -0.000 0.000 0.293 271 T C 0.956 175.701 174.700 0.075 0.000 1.084 271 T CA -0.285 61.878 62.100 0.105 0.000 1.008 271 T CB 1.879 70.814 68.868 0.111 0.000 1.170 271 T HN 0.823 nan 8.240 nan 0.000 0.509 272 T N -1.083 113.512 114.554 0.069 0.000 2.881 272 T HA -0.132 4.218 4.350 -0.000 0.000 0.270 272 T C 0.884 175.612 174.700 0.047 0.000 1.068 272 T CA 1.664 63.795 62.100 0.052 0.000 1.131 272 T CB -0.665 68.231 68.868 0.046 0.000 0.871 272 T HN 0.732 nan 8.240 nan 0.000 0.479 273 D N 0.967 121.400 120.400 0.054 0.000 2.400 273 D HA 0.107 4.747 4.640 -0.000 0.000 0.243 273 D C 0.686 177.018 176.300 0.053 0.000 1.184 273 D CA -0.080 53.950 54.000 0.050 0.000 0.853 273 D CB -0.040 40.788 40.800 0.048 0.000 0.944 273 D HN 0.312 nan 8.370 nan 0.000 0.501 274 D N -0.208 120.224 120.400 0.053 0.000 2.500 274 D HA 0.138 4.778 4.640 -0.000 0.000 0.218 274 D C 1.960 178.287 176.300 0.046 0.000 1.140 274 D CA 0.073 54.106 54.000 0.056 0.000 0.830 274 D CB 0.479 41.315 40.800 0.059 0.000 1.055 274 D HN 0.257 nan 8.370 nan 0.000 0.512 275 A N 1.408 124.247 122.820 0.031 0.000 1.892 275 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 275 A C 2.033 179.636 177.584 0.031 0.000 1.188 275 A CA 1.581 53.622 52.037 0.007 0.000 0.631 275 A CB -0.434 18.568 19.000 0.003 0.000 0.822 275 A HN 0.158 nan 8.150 nan 0.000 0.447 276 E N -0.885 119.351 120.200 0.061 0.000 2.077 276 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 276 E C 2.349 179.057 176.600 0.179 0.000 0.989 276 E CA 1.486 57.947 56.400 0.102 0.000 0.800 276 E CB -0.138 29.607 29.700 0.076 0.000 0.746 276 E HN 0.800 nan 8.360 nan 0.000 0.452 277 R N 0.295 120.885 120.500 0.151 0.000 2.173 277 R HA 0.041 4.380 4.340 -0.000 0.000 0.208 277 R C 1.884 178.363 176.300 0.298 0.000 1.035 277 R CA 0.885 57.099 56.100 0.190 0.000 1.004 277 R CB -0.119 30.248 30.300 0.112 0.000 0.917 277 R HN 0.161 nan 8.270 nan 0.000 0.462 278 I N 1.108 121.798 120.570 0.199 0.000 3.035 278 I HA 0.141 4.311 4.170 -0.000 0.000 0.271 278 I C 1.412 177.514 176.117 -0.025 0.000 1.190 278 I CA 0.616 62.014 61.300 0.163 0.000 1.472 278 I CB -0.170 37.858 38.000 0.048 0.000 1.116 278 I HN 0.483 nan 8.210 nan 0.000 0.443 279 G N 2.711 111.419 108.800 -0.153 0.000 2.614 279 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.303 279 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.303 279 G C -1.273 173.222 174.900 -0.676 0.000 1.270 279 G CA 0.380 45.128 45.100 -0.587 0.000 0.988 279 G HN 0.227 nan 8.290 nan 0.000 0.551 280 P HA -0.106 nan 4.420 nan 0.000 0.223 280 P C 1.046 177.850 177.300 -0.826 0.000 1.144 280 P CA 1.903 64.441 63.100 -0.937 0.000 0.783 280 P CB -0.157 30.858 31.700 -1.140 0.000 0.771 281 Y N -1.120 118.892 120.300 -0.480 0.000 2.578 281 Y HA 0.142 4.692 4.550 -0.000 0.000 0.297 281 Y C 2.484 178.248 175.900 -0.227 0.000 1.176 281 Y CA 0.618 58.551 58.100 -0.279 0.000 1.315 281 Y CB -0.482 37.870 38.460 -0.180 0.000 1.031 281 Y HN -0.007 nan 8.280 nan 0.000 0.524 282 M N -0.452 119.034 119.600 -0.191 0.000 2.306 282 M HA 0.139 4.619 4.480 -0.000 0.000 0.292 282 M C 0.059 176.248 176.300 -0.186 0.000 1.018 282 M CA 0.085 55.282 55.300 -0.172 0.000 1.007 282 M CB 0.452 32.970 32.600 -0.137 0.000 1.510 282 M HN -0.167 nan 8.290 nan 0.000 0.537 283 K N 2.184 122.413 120.400 -0.285 0.000 2.363 283 K HA 0.307 4.627 4.320 -0.000 0.000 0.289 283 K C -1.315 175.147 176.600 -0.231 0.000 1.063 283 K CA -0.087 55.995 56.287 -0.341 0.000 0.967 283 K CB 0.660 32.796 32.500 -0.607 0.000 0.987 283 K HN 0.202 nan 8.250 nan 0.000 0.473 284 V N 2.588 122.467 119.914 -0.059 0.000 3.160 284 V HA 0.805 4.924 4.120 -0.000 0.000 0.310 284 V C -1.652 174.532 176.094 0.151 0.000 1.181 284 V CA -0.655 61.640 62.300 -0.008 0.000 1.047 284 V CB 2.315 34.092 31.823 -0.077 0.000 1.068 284 V HN 0.855 nan 8.190 nan 0.000 0.441 285 A N 4.117 127.013 122.820 0.127 0.000 2.353 285 A HA 0.924 5.244 4.320 -0.000 0.000 0.299 285 A C -3.015 174.530 177.584 -0.066 0.000 1.089 285 A CA -1.677 50.455 52.037 0.158 0.000 0.736 285 A CB 1.684 20.826 19.000 0.237 0.000 1.195 285 A HN 0.592 nan 8.150 nan 0.000 0.447 286 P HA 0.303 nan 4.420 nan 0.000 0.270 286 P C -2.590 174.788 177.300 0.130 0.000 1.223 286 P CA -0.879 62.191 63.100 -0.050 0.000 0.785 286 P CB -0.143 31.445 31.700 -0.187 0.000 0.923 287 P HA -0.000 nan 4.420 nan 0.000 0.269 287 P C -0.490 176.946 177.300 0.227 0.000 1.215 287 P CA 0.073 63.244 63.100 0.119 0.000 0.780 287 P CB 0.286 31.906 31.700 -0.133 0.000 0.898 288 V N 3.471 123.512 119.914 0.211 0.000 2.715 288 V HA 0.092 4.212 4.120 -0.000 0.000 0.299 288 V C 1.108 177.291 176.094 0.148 0.000 1.054 288 V CA 0.483 62.922 62.300 0.231 0.000 1.077 288 V CB 0.340 32.217 31.823 0.090 0.000 0.972 288 V HN 0.514 nan 8.190 nan 0.000 0.484 289 R N 2.122 122.714 120.500 0.152 0.000 2.603 289 R HA 0.506 4.846 4.340 -0.000 0.000 0.231 289 R C 0.413 176.763 176.300 0.082 0.000 1.263 289 R CA -0.188 55.964 56.100 0.085 0.000 1.102 289 R CB 0.550 30.886 30.300 0.059 0.000 1.527 289 R HN 0.880 nan 8.270 nan 0.000 0.554 290 S N -0.317 115.422 115.700 0.065 0.000 2.584 290 S HA 0.193 4.663 4.470 -0.000 0.000 0.270 290 S C 1.157 175.806 174.600 0.081 0.000 1.346 290 S CA -0.044 58.195 58.200 0.066 0.000 1.018 290 S CB 1.195 64.427 63.200 0.053 0.000 0.899 290 S HN 0.601 nan 8.310 nan 0.000 0.542 291 A N 1.573 124.440 122.820 0.079 0.000 1.940 291 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 291 A C 2.096 179.734 177.584 0.090 0.000 1.176 291 A CA 1.758 53.849 52.037 0.090 0.000 0.631 291 A CB -1.117 17.928 19.000 0.074 0.000 0.814 291 A HN 0.976 nan 8.150 nan 0.000 0.446 292 E N -0.520 119.723 120.200 0.071 0.000 2.051 292 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 292 E C 2.075 178.719 176.600 0.074 0.000 0.991 292 E CA 1.549 57.988 56.400 0.065 0.000 0.799 292 E CB -0.318 29.413 29.700 0.051 0.000 0.748 292 E HN 0.674 nan 8.360 nan 0.000 0.449 293 M N 0.642 120.285 119.600 0.072 0.000 2.229 293 M HA -0.125 4.354 4.480 -0.000 0.000 0.264 293 M C 2.114 178.470 176.300 0.092 0.000 1.063 293 M CA 1.018 56.358 55.300 0.068 0.000 1.114 293 M CB -0.332 32.299 32.600 0.053 0.000 1.387 293 M HN 0.066 nan 8.290 nan 0.000 0.420 294 N N 1.242 120.016 118.700 0.124 0.000 2.104 294 N HA -0.149 4.591 4.740 -0.000 0.000 0.190 294 N C 1.409 177.080 175.510 0.269 0.000 1.024 294 N CA 1.450 54.612 53.050 0.187 0.000 0.853 294 N CB -0.106 38.513 38.487 0.221 0.000 1.008 294 N HN 0.254 nan 8.380 nan 0.000 0.424 295 I N 0.294 120.989 120.570 0.210 0.000 2.127 295 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 295 I C 2.549 178.782 176.117 0.193 0.000 1.075 295 I CA 0.983 62.404 61.300 0.202 0.000 1.334 295 I CB -0.279 37.788 38.000 0.112 0.000 1.040 295 I HN 0.206 nan 8.210 nan 0.000 0.405 296 R N 0.229 120.805 120.500 0.126 0.000 2.096 296 R HA -0.200 4.140 4.340 -0.000 0.000 0.240 296 R C 2.285 178.638 176.300 0.089 0.000 1.139 296 R CA 1.456 57.610 56.100 0.090 0.000 0.952 296 R CB -0.996 29.339 30.300 0.058 0.000 0.854 296 R HN 0.254 nan 8.270 nan 0.000 0.436 297 L N -0.489 120.778 121.223 0.075 0.000 2.013 297 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 297 L C 2.163 179.034 176.870 0.003 0.000 1.073 297 L CA 1.781 56.620 54.840 -0.002 0.000 0.753 297 L CB -0.827 41.198 42.059 -0.057 0.000 0.890 297 L HN 0.234 nan 8.230 nan 0.000 0.432 298 W N -0.144 121.171 121.300 0.026 0.000 2.374 298 W HA -0.163 4.497 4.660 -0.000 0.000 0.288 298 W C 2.553 179.075 176.519 0.005 0.000 1.218 298 W CA 1.153 58.510 57.345 0.019 0.000 1.245 298 W CB -0.080 29.393 29.460 0.022 0.000 1.126 298 W HN 0.220 nan 8.180 nan 0.000 0.545 299 E N -0.197 120.142 120.200 0.231 0.000 2.046 299 E HA -0.236 4.114 4.350 -0.000 0.000 0.190 299 E C 2.056 178.696 176.600 0.066 0.000 0.982 299 E CA 1.241 57.718 56.400 0.128 0.000 0.800 299 E CB -0.371 29.381 29.700 0.086 0.000 0.756 299 E HN 0.419 nan 8.360 nan 0.000 0.449 300 Q N 0.606 120.425 119.800 0.031 0.000 2.135 300 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 300 Q C 2.362 178.338 176.000 -0.040 0.000 0.981 300 Q CA 0.871 56.654 55.803 -0.032 0.000 0.856 300 Q CB -0.117 28.590 28.738 -0.052 0.000 0.902 300 Q HN 0.327 nan 8.270 nan 0.000 0.425 301 L N 0.766 121.980 121.223 -0.015 0.000 1.976 301 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 301 L C 2.392 179.272 176.870 0.017 0.000 1.071 301 L CA 1.807 56.632 54.840 -0.025 0.000 0.746 301 L CB -0.256 41.763 42.059 -0.067 0.000 0.890 301 L HN 0.241 nan 8.230 nan 0.000 0.432 302 E N 0.355 120.599 120.200 0.074 0.000 2.204 302 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 302 E C 1.642 178.258 176.600 0.028 0.000 0.990 302 E CA 1.178 57.618 56.400 0.067 0.000 0.821 302 E CB -0.097 29.662 29.700 0.098 0.000 0.750 302 E HN 0.415 nan 8.360 nan 0.000 0.477 303 N N -0.601 118.104 118.700 0.009 0.000 2.398 303 N HA 0.057 4.797 4.740 -0.000 0.000 0.188 303 N C 0.741 176.224 175.510 -0.045 0.000 1.122 303 N CA 0.923 53.964 53.050 -0.015 0.000 0.866 303 N CB 0.862 39.336 38.487 -0.021 0.000 0.970 303 N HN 0.327 nan 8.380 nan 0.000 0.462 304 G N 0.328 109.097 108.800 -0.051 0.000 2.157 304 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.239 304 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.239 304 G C 0.685 175.499 174.900 -0.143 0.000 0.982 304 G CA -0.035 45.029 45.100 -0.060 0.000 0.650 304 G HN 0.243 nan 8.290 nan 0.000 0.527 305 L N 0.380 121.455 121.223 -0.247 0.000 2.418 305 L HA 0.425 4.765 4.340 -0.000 0.000 0.218 305 L C 1.483 178.265 176.870 -0.147 0.000 1.125 305 L CA 0.877 55.472 54.840 -0.408 0.000 0.835 305 L CB 0.135 41.928 42.059 -0.443 0.000 0.953 305 L HN 0.403 nan 8.230 nan 0.000 0.454 306 I N -0.048 120.472 120.570 -0.083 0.000 2.307 306 I HA 0.083 4.253 4.170 -0.000 0.000 0.289 306 I C 0.573 176.690 176.117 0.000 0.000 1.021 306 I CA -0.265 61.015 61.300 -0.034 0.000 1.224 306 I CB 1.296 39.266 38.000 -0.051 0.000 1.376 306 I HN 0.081 nan 8.210 nan 0.000 0.470 307 D N 3.588 124.011 120.400 0.038 0.000 2.123 307 D HA -0.049 4.590 4.640 -0.000 0.000 0.200 307 D C 0.909 177.234 176.300 0.042 0.000 0.976 307 D CA 1.437 55.473 54.000 0.060 0.000 0.831 307 D CB 0.376 41.251 40.800 0.125 0.000 0.974 307 D HN 0.622 nan 8.370 nan 0.000 0.469 308 T N -1.752 112.831 114.554 0.047 0.000 2.864 308 T HA 0.562 4.912 4.350 -0.000 0.000 0.299 308 T C -1.085 173.649 174.700 0.056 0.000 1.166 308 T CA -0.952 61.180 62.100 0.053 0.000 1.007 308 T CB 2.312 71.226 68.868 0.077 0.000 1.219 308 T HN -0.184 nan 8.240 nan 0.000 0.506 309 L N 1.092 122.350 121.223 0.058 0.000 2.362 309 L HA 0.853 5.193 4.340 -0.000 0.000 0.275 309 L C 0.295 177.219 176.870 0.090 0.000 0.998 309 L CA -0.104 54.772 54.840 0.059 0.000 0.820 309 L CB 1.580 43.652 42.059 0.022 0.000 1.270 309 L HN 1.215 nan 8.230 nan 0.000 0.415 310 G N 0.299 109.171 108.800 0.120 0.000 2.591 310 G HA2 0.466 4.426 3.960 -0.000 0.000 0.306 310 G HA3 0.466 4.426 3.960 -0.000 0.000 0.306 310 G C 0.384 175.343 174.900 0.099 0.000 1.334 310 G CA 0.205 45.392 45.100 0.144 0.000 0.981 310 G HN 0.635 nan 8.290 nan 0.000 0.491 311 S N 0.787 116.536 115.700 0.081 0.000 2.387 311 S HA -0.034 4.436 4.470 -0.000 0.000 0.226 311 S C 1.098 175.706 174.600 0.013 0.000 1.026 311 S CA 1.318 59.561 58.200 0.071 0.000 0.972 311 S CB -0.132 63.129 63.200 0.101 0.000 0.814 311 S HN 0.944 nan 8.310 nan 0.000 0.477 312 D N 0.654 120.990 120.400 -0.107 0.000 2.800 312 D HA -0.229 4.411 4.640 -0.000 0.000 0.232 312 D C -0.194 176.170 176.300 0.107 0.000 1.137 312 D CA 0.858 54.689 54.000 -0.281 0.000 0.718 312 D CB -2.521 38.040 40.800 -0.399 0.000 1.084 312 D HN 0.881 nan 8.370 nan 0.000 0.432 313 H N -0.320 118.794 119.070 0.074 0.000 3.070 313 H HA 0.420 4.976 4.556 -0.000 0.000 0.313 313 H C 0.663 176.108 175.328 0.196 0.000 0.997 313 H CA 1.639 57.750 56.048 0.106 0.000 1.438 313 H CB 0.417 30.222 29.762 0.073 0.000 1.455 313 H HN 0.323 nan 8.280 nan 0.000 0.575 314 G N 3.436 112.100 108.800 -0.227 0.000 2.635 314 G HA2 0.451 4.411 3.960 -0.000 0.000 0.295 314 G HA3 0.451 4.411 3.960 -0.000 0.000 0.295 314 G C -0.287 174.572 174.900 -0.068 0.000 1.359 314 G CA -0.319 44.745 45.100 -0.059 0.000 1.232 314 G HN 0.912 nan 8.290 nan 0.000 0.597 315 G N -0.045 108.773 108.800 0.030 0.000 2.562 315 G HA2 0.601 4.561 3.960 -0.000 0.000 0.275 315 G HA3 0.601 4.561 3.960 -0.000 0.000 0.275 315 G C -0.945 174.140 174.900 0.308 0.000 1.196 315 G CA -0.411 44.803 45.100 0.190 0.000 0.908 315 G HN 0.821 nan 8.290 nan 0.000 0.524 316 H N -0.329 118.765 119.070 0.040 0.000 3.086 316 H HA 0.358 4.914 4.556 -0.000 0.000 0.353 316 H C -2.472 172.645 175.328 -0.351 0.000 1.134 316 H CA -1.029 55.034 56.048 0.025 0.000 1.248 316 H CB 3.073 32.871 29.762 0.060 0.000 1.878 316 H HN 0.339 nan 8.280 nan 0.000 0.527 317 P HA -0.111 nan 4.420 nan 0.000 0.261 317 P C 1.117 178.364 177.300 -0.089 0.000 1.183 317 P CA 0.370 63.408 63.100 -0.104 0.000 0.761 317 P CB 1.239 32.902 31.700 -0.061 0.000 0.785 318 V N 3.707 123.576 119.914 -0.074 0.000 2.636 318 V HA -0.240 3.880 4.120 -0.000 0.000 0.258 318 V C 2.088 178.123 176.094 -0.098 0.000 1.092 318 V CA 2.355 64.575 62.300 -0.132 0.000 1.110 318 V CB -0.912 30.905 31.823 -0.009 0.000 0.685 318 V HN 0.635 nan 8.190 nan 0.000 0.481 319 E N -1.242 118.932 120.200 -0.043 0.000 2.481 319 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 319 E C 0.670 177.234 176.600 -0.060 0.000 1.047 319 E CA 0.801 57.180 56.400 -0.035 0.000 0.867 319 E CB -0.187 29.507 29.700 -0.009 0.000 0.858 319 E HN 0.607 nan 8.360 nan 0.000 0.513 320 D N 0.114 120.469 120.400 -0.075 0.000 2.395 320 D HA 0.117 4.757 4.640 -0.000 0.000 0.213 320 D C 1.087 177.242 176.300 -0.242 0.000 1.110 320 D CA 0.020 53.969 54.000 -0.085 0.000 0.835 320 D CB 0.541 41.388 40.800 0.078 0.000 0.965 320 D HN -0.025 nan 8.370 nan 0.000 0.505 321 K N -0.113 120.096 120.400 -0.318 0.000 2.362 321 K HA 0.089 4.408 4.320 -0.000 0.000 0.203 321 K C 1.676 177.932 176.600 -0.573 0.000 1.198 321 K CA 0.216 56.159 56.287 -0.573 0.000 0.908 321 K CB 0.188 32.203 32.500 -0.808 0.000 1.236 321 K HN -0.128 nan 8.250 nan 0.000 0.487 322 E N 1.772 121.787 120.200 -0.308 0.000 2.130 322 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 322 E C -1.186 175.405 176.600 -0.016 0.000 0.998 322 E CA 1.505 57.873 56.400 -0.055 0.000 0.806 322 E CB -0.812 28.950 29.700 0.102 0.000 0.738 322 E HN 0.152 nan 8.360 nan 0.000 0.459 323 P HA -0.056 nan 4.420 nan 0.000 0.234 323 P C 1.182 178.409 177.300 -0.121 0.000 1.167 323 P CA 1.339 64.406 63.100 -0.056 0.000 0.763 323 P CB -0.076 31.586 31.700 -0.063 0.000 0.835 324 G N -0.894 107.731 108.800 -0.291 0.000 2.471 324 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.219 324 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.219 324 G C 1.246 175.935 174.900 -0.351 0.000 1.125 324 G CA -0.021 44.834 45.100 -0.409 0.000 0.775 324 G HN 0.231 nan 8.290 nan 0.000 0.548 325 W N 0.936 122.120 121.300 -0.193 0.000 2.342 325 W HA 0.038 4.698 4.660 -0.000 0.000 0.297 325 W C 2.648 179.100 176.519 -0.112 0.000 1.213 325 W CA 1.184 58.445 57.345 -0.140 0.000 1.251 325 W CB 0.179 29.580 29.460 -0.098 0.000 1.136 325 W HN 0.177 nan 8.180 nan 0.000 0.526 326 K N -1.833 118.641 120.400 0.123 0.000 2.244 326 K HA -0.003 4.316 4.320 -0.000 0.000 0.200 326 K C 0.231 176.833 176.600 0.003 0.000 1.052 326 K CA 0.619 56.942 56.287 0.060 0.000 0.980 326 K CB 0.242 32.776 32.500 0.056 0.000 0.838 326 K HN -0.190 nan 8.250 nan 0.000 0.481 327 D N 0.830 121.204 120.400 -0.042 0.000 2.386 327 D HA 0.027 4.667 4.640 -0.000 0.000 0.247 327 D C 0.480 176.664 176.300 -0.193 0.000 1.336 327 D CA -0.199 53.763 54.000 -0.062 0.000 0.976 327 D CB 1.951 42.767 40.800 0.026 0.000 1.257 327 D HN -0.202 nan 8.370 nan 0.000 0.570 328 V N 4.393 124.078 119.914 -0.381 0.000 2.380 328 V HA -0.234 3.886 4.120 -0.000 0.000 0.251 328 V C 1.329 177.089 176.094 -0.558 0.000 1.063 328 V CA 1.688 63.638 62.300 -0.583 0.000 1.055 328 V CB -0.350 31.003 31.823 -0.784 0.000 0.657 328 V HN 0.631 nan 8.190 nan 0.000 0.455 329 W N -0.079 121.155 121.300 -0.111 0.000 2.747 329 W HA -0.022 4.638 4.660 -0.000 0.000 0.244 329 W C 2.013 178.462 176.519 -0.117 0.000 1.270 329 W CA 0.359 57.647 57.345 -0.095 0.000 1.333 329 W CB -0.258 29.178 29.460 -0.041 0.000 1.139 329 W HN 0.162 nan 8.180 nan 0.000 0.662 330 K N -0.271 120.116 120.400 -0.021 0.000 2.399 330 K HA 0.367 4.687 4.320 -0.000 0.000 0.204 330 K C 0.401 176.908 176.600 -0.154 0.000 1.023 330 K CA -0.210 56.048 56.287 -0.049 0.000 1.127 330 K CB 0.534 33.018 32.500 -0.027 0.000 0.856 330 K HN -0.064 nan 8.250 nan 0.000 0.514 331 A N 0.870 123.533 122.820 -0.261 0.000 2.324 331 A HA 0.678 4.998 4.320 -0.000 0.000 0.330 331 A C 0.192 177.531 177.584 -0.407 0.000 1.165 331 A CA -0.562 51.248 52.037 -0.379 0.000 0.813 331 A CB 1.074 19.763 19.000 -0.518 0.000 1.197 331 A HN 0.206 nan 8.150 nan 0.000 0.484 332 G N 0.971 109.457 108.800 -0.524 0.000 2.504 332 G HA2 0.442 4.402 3.960 -0.000 0.000 0.288 332 G HA3 0.442 4.402 3.960 -0.000 0.000 0.288 332 G C -0.372 174.171 174.900 -0.595 0.000 1.182 332 G CA -0.629 44.079 45.100 -0.653 0.000 0.894 332 G HN 0.707 nan 8.290 nan 0.000 0.521 333 N N -0.369 118.103 118.700 -0.380 0.000 2.530 333 N HA 0.616 5.356 4.740 -0.000 0.000 0.277 333 N C 0.454 175.894 175.510 -0.118 0.000 1.168 333 N CA 0.754 53.667 53.050 -0.228 0.000 0.979 333 N CB 1.499 39.933 38.487 -0.087 0.000 1.141 333 N HN 1.086 nan 8.380 nan 0.000 0.459 334 G N -1.117 107.635 108.800 -0.080 0.000 2.317 334 G HA2 0.521 4.481 3.960 -0.000 0.000 0.445 334 G HA3 0.521 4.481 3.960 -0.000 0.000 0.445 334 G C -1.966 172.938 174.900 0.007 0.000 1.486 334 G CA -0.323 44.778 45.100 0.002 0.000 0.991 334 G HN 0.740 nan 8.290 nan 0.000 0.660 335 A N 0.327 123.150 122.820 0.005 0.000 2.577 335 A HA 0.784 5.104 4.320 -0.000 0.000 0.297 335 A C -0.393 177.164 177.584 -0.044 0.000 1.060 335 A CA -0.642 51.397 52.037 0.003 0.000 0.697 335 A CB 1.029 19.999 19.000 -0.050 0.000 1.281 335 A HN 1.368 nan 8.150 nan 0.000 0.402 336 L N 1.124 122.303 121.223 -0.074 0.000 2.453 336 L HA 0.576 4.916 4.340 -0.000 0.000 0.261 336 L C 1.338 178.319 176.870 0.186 0.000 1.179 336 L CA 0.744 55.530 54.840 -0.091 0.000 0.813 336 L CB 1.028 43.086 42.059 -0.001 0.000 1.110 336 L HN 1.073 nan 8.230 nan 0.000 0.466 337 G N 0.330 109.373 108.800 0.405 0.000 3.668 337 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.185 337 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.185 337 G C 0.671 175.651 174.900 0.133 0.000 1.159 337 G CA -0.249 45.019 45.100 0.279 0.000 0.875 337 G HN 0.383 nan 8.290 nan 0.000 0.689 338 L N 1.234 122.497 121.223 0.066 0.000 2.127 338 L HA 0.157 4.497 4.340 -0.000 0.000 0.211 338 L C 2.207 178.953 176.870 -0.207 0.000 1.089 338 L CA 1.931 56.634 54.840 -0.229 0.000 0.757 338 L CB -0.135 41.520 42.059 -0.673 0.000 0.899 338 L HN 0.407 nan 8.230 nan 0.000 0.434 339 E N -2.079 117.950 120.200 -0.285 0.000 2.415 339 E HA -0.037 4.313 4.350 -0.000 0.000 0.197 339 E C 1.367 177.862 176.600 -0.175 0.000 1.007 339 E CA 0.817 57.027 56.400 -0.317 0.000 0.890 339 E CB 0.341 29.645 29.700 -0.659 0.000 0.891 339 E HN 0.559 nan 8.360 nan 0.000 0.496 340 T N -2.995 111.503 114.554 -0.093 0.000 3.010 340 T HA 0.141 4.491 4.350 -0.000 0.000 0.257 340 T C 1.685 176.318 174.700 -0.112 0.000 1.020 340 T CA 0.218 62.294 62.100 -0.039 0.000 0.938 340 T CB 0.531 69.465 68.868 0.109 0.000 1.049 340 T HN -0.092 nan 8.240 nan 0.000 0.522 341 S N 1.145 116.809 115.700 -0.060 0.000 2.351 341 S HA 0.004 4.474 4.470 -0.000 0.000 0.220 341 S C 1.783 176.344 174.600 -0.066 0.000 1.035 341 S CA 1.067 59.234 58.200 -0.056 0.000 1.031 341 S CB -0.614 62.579 63.200 -0.011 0.000 0.928 341 S HN 0.526 nan 8.310 nan 0.000 0.433 342 L N 2.099 123.294 121.223 -0.047 0.000 2.005 342 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 342 L C -0.786 176.062 176.870 -0.037 0.000 1.072 342 L CA 1.538 56.359 54.840 -0.032 0.000 0.744 342 L CB -1.386 40.660 42.059 -0.021 0.000 0.895 342 L HN 0.321 nan 8.230 nan 0.000 0.433 343 P HA -0.220 nan 4.420 nan 0.000 0.218 343 P C 1.578 178.841 177.300 -0.061 0.000 1.148 343 P CA 1.517 64.595 63.100 -0.038 0.000 0.822 343 P CB -0.060 31.624 31.700 -0.027 0.000 0.784 344 M N -1.408 118.115 119.600 -0.129 0.000 2.132 344 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 344 M C 2.044 178.320 176.300 -0.040 0.000 1.065 344 M CA 1.758 56.951 55.300 -0.179 0.000 1.122 344 M CB -1.095 31.233 32.600 -0.453 0.000 1.365 344 M HN -0.205 nan 8.290 nan 0.000 0.411 345 M N -1.031 118.561 119.600 -0.013 0.000 2.132 345 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 345 M C 2.043 178.393 176.300 0.082 0.000 1.065 345 M CA 1.326 56.671 55.300 0.076 0.000 1.122 345 M CB -1.524 31.096 32.600 0.033 0.000 1.365 345 M HN 0.193 nan 8.290 nan 0.000 0.411 346 L N 0.022 121.261 121.223 0.027 0.000 2.017 346 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 346 L C 2.469 179.348 176.870 0.015 0.000 1.073 346 L CA 1.836 56.684 54.840 0.014 0.000 0.745 346 L CB -1.445 40.616 42.059 0.002 0.000 0.894 346 L HN 0.297 nan 8.230 nan 0.000 0.432 347 T N -0.255 114.305 114.554 0.011 0.000 2.668 347 T HA -0.102 4.248 4.350 -0.000 0.000 0.262 347 T C 1.505 176.205 174.700 -0.000 0.000 1.045 347 T CA 1.527 63.630 62.100 0.004 0.000 1.152 347 T CB -0.141 68.725 68.868 -0.003 0.000 0.864 347 T HN 0.321 nan 8.240 nan 0.000 0.419 348 N N 0.327 119.042 118.700 0.026 0.000 2.336 348 N HA 0.130 4.870 4.740 -0.000 0.000 0.189 348 N C 1.567 177.007 175.510 -0.116 0.000 1.113 348 N CA 0.386 53.425 53.050 -0.019 0.000 0.858 348 N CB 0.420 38.947 38.487 0.066 0.000 0.970 348 N HN 0.451 nan 8.380 nan 0.000 0.471 349 G N 0.482 109.318 108.800 0.061 0.000 2.764 349 G HA2 0.030 3.990 3.960 -0.000 0.000 0.218 349 G HA3 0.030 3.990 3.960 -0.000 0.000 0.218 349 G C 1.437 176.346 174.900 0.015 0.000 1.304 349 G CA 0.060 45.222 45.100 0.104 0.000 0.847 349 G HN 0.023 nan 8.290 nan 0.000 0.610 350 V N 2.040 121.973 119.914 0.032 0.000 2.237 350 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 350 V C 2.365 178.439 176.094 -0.033 0.000 1.046 350 V CA 1.900 64.191 62.300 -0.015 0.000 1.007 350 V CB -0.569 31.230 31.823 -0.040 0.000 0.638 350 V HN 0.264 nan 8.190 nan 0.000 0.445 351 N N -0.160 118.526 118.700 -0.024 0.000 2.609 351 N HA -0.085 4.654 4.740 -0.000 0.000 0.190 351 N C 1.410 176.896 175.510 -0.040 0.000 1.157 351 N CA 0.808 53.845 53.050 -0.022 0.000 0.918 351 N CB -0.155 38.328 38.487 -0.007 0.000 0.978 351 N HN 0.500 nan 8.380 nan 0.000 0.448 352 K N -0.884 119.474 120.400 -0.069 0.000 2.413 352 K HA 0.177 4.497 4.320 -0.000 0.000 0.204 352 K C 0.680 177.212 176.600 -0.113 0.000 1.041 352 K CA 0.207 56.433 56.287 -0.102 0.000 1.082 352 K CB 0.367 32.772 32.500 -0.158 0.000 0.871 352 K HN 0.052 nan 8.250 nan 0.000 0.535 353 G N 2.314 111.065 108.800 -0.082 0.000 2.189 353 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.267 353 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.267 353 G C 0.600 175.455 174.900 -0.074 0.000 0.975 353 G CA 0.795 45.855 45.100 -0.066 0.000 0.644 353 G HN 0.484 nan 8.290 nan 0.000 0.537 354 R N -0.890 119.538 120.500 -0.122 0.000 2.388 354 R HA 0.590 4.930 4.340 -0.000 0.000 0.247 354 R C 0.223 176.554 176.300 0.052 0.000 0.931 354 R CA 0.069 56.110 56.100 -0.097 0.000 1.082 354 R CB 0.374 30.500 30.300 -0.291 0.000 1.135 354 R HN 0.726 nan 8.270 nan 0.000 0.525 355 L N 0.696 121.955 121.223 0.059 0.000 2.526 355 L HA 0.310 4.650 4.340 -0.000 0.000 0.263 355 L C -0.891 176.001 176.870 0.036 0.000 0.943 355 L CA -0.516 54.392 54.840 0.113 0.000 0.859 355 L CB 2.410 44.605 42.059 0.226 0.000 1.313 355 L HN 0.247 nan 8.230 nan 0.000 0.406 356 S N 3.908 119.619 115.700 0.018 0.000 2.610 356 S HA 0.447 4.917 4.470 -0.000 0.000 0.273 356 S C 1.233 175.804 174.600 -0.049 0.000 1.274 356 S CA -0.742 57.443 58.200 -0.024 0.000 1.023 356 S CB 1.186 64.375 63.200 -0.018 0.000 0.962 356 S HN 0.770 nan 8.310 nan 0.000 0.523 357 L N 0.934 122.088 121.223 -0.115 0.000 2.042 357 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 357 L C 2.593 179.410 176.870 -0.089 0.000 1.076 357 L CA 1.645 56.392 54.840 -0.154 0.000 0.749 357 L CB -0.580 41.281 42.059 -0.330 0.000 0.893 357 L HN 0.754 nan 8.230 nan 0.000 0.432 358 E N -0.522 119.639 120.200 -0.066 0.000 2.085 358 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 358 E C 2.157 178.750 176.600 -0.013 0.000 0.994 358 E CA 1.267 57.650 56.400 -0.029 0.000 0.801 358 E CB -0.135 29.556 29.700 -0.015 0.000 0.743 358 E HN 0.267 nan 8.360 nan 0.000 0.453 359 R N 0.540 121.034 120.500 -0.009 0.000 2.090 359 R HA -0.029 4.311 4.340 -0.000 0.000 0.228 359 R C 2.234 178.537 176.300 0.004 0.000 1.110 359 R CA 0.803 56.905 56.100 0.003 0.000 0.973 359 R CB -0.398 29.910 30.300 0.013 0.000 0.869 359 R HN 0.262 nan 8.270 nan 0.000 0.440 360 L N 0.064 121.287 121.223 -0.000 0.000 2.012 360 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 360 L C 1.917 178.787 176.870 0.001 0.000 1.073 360 L CA 1.439 56.280 54.840 0.002 0.000 0.748 360 L CB -0.236 41.819 42.059 -0.007 0.000 0.891 360 L HN 0.111 nan 8.230 nan 0.000 0.431 361 V N -0.107 119.805 119.914 -0.004 0.000 2.515 361 V HA -0.278 3.842 4.120 -0.000 0.000 0.250 361 V C 2.454 178.560 176.094 0.020 0.000 1.058 361 V CA 2.020 64.325 62.300 0.008 0.000 1.064 361 V CB -0.490 31.338 31.823 0.008 0.000 0.675 361 V HN 0.565 nan 8.190 nan 0.000 0.461 362 E N 0.347 120.556 120.200 0.015 0.000 2.047 362 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 362 E C 2.135 178.744 176.600 0.015 0.000 0.987 362 E CA 1.880 58.289 56.400 0.015 0.000 0.799 362 E CB 0.053 29.757 29.700 0.008 0.000 0.752 362 E HN 0.572 nan 8.360 nan 0.000 0.449 363 V N -1.682 118.241 119.914 0.014 0.000 3.129 363 V HA 0.011 4.131 4.120 -0.000 0.000 0.259 363 V C 1.880 177.990 176.094 0.026 0.000 1.116 363 V CA 1.020 63.330 62.300 0.017 0.000 1.127 363 V CB -0.132 31.697 31.823 0.009 0.000 0.742 363 V HN 0.193 nan 8.190 nan 0.000 0.474 364 M N -1.218 118.396 119.600 0.024 0.000 2.367 364 M HA 0.211 4.691 4.480 -0.000 0.000 0.256 364 M C 1.418 177.737 176.300 0.033 0.000 1.091 364 M CA 0.519 55.835 55.300 0.027 0.000 1.049 364 M CB 0.557 33.167 32.600 0.016 0.000 1.406 364 M HN 0.540 nan 8.290 nan 0.000 0.498 365 C N -1.077 118.246 119.300 0.038 0.000 2.726 365 C HA 0.157 4.617 4.460 -0.000 0.000 0.380 365 C C 2.265 177.303 174.990 0.080 0.000 1.691 365 C CA -0.181 58.867 59.018 0.050 0.000 2.388 365 C CB -0.258 27.509 27.740 0.045 0.000 2.227 365 C HN 0.404 nan 8.230 nan 0.000 0.647 366 E N 1.801 122.051 120.200 0.084 0.000 2.007 366 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 366 E C 1.971 178.588 176.600 0.028 0.000 0.999 366 E CA 1.366 57.828 56.400 0.103 0.000 0.811 366 E CB -0.118 29.620 29.700 0.064 0.000 0.762 366 E HN 0.443 nan 8.360 nan 0.000 0.450 367 K N 0.028 120.422 120.400 -0.009 0.000 2.032 367 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 367 K C -0.857 175.734 176.600 -0.015 0.000 1.048 367 K CA 1.753 58.013 56.287 -0.046 0.000 0.927 367 K CB -0.772 31.709 32.500 -0.032 0.000 0.712 367 K HN 0.122 nan 8.250 nan 0.000 0.441 368 P HA -0.220 nan 4.420 nan 0.000 0.215 368 P C 1.060 178.473 177.300 0.188 0.000 1.157 368 P CA 1.915 65.098 63.100 0.139 0.000 0.874 368 P CB -0.019 31.762 31.700 0.135 0.000 0.790 369 A N 0.491 123.393 122.820 0.136 0.000 1.877 369 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 369 A C 2.307 179.980 177.584 0.149 0.000 1.186 369 A CA 2.063 54.194 52.037 0.158 0.000 0.620 369 A CB -1.197 17.920 19.000 0.196 0.000 0.822 369 A HN 0.132 nan 8.150 nan 0.000 0.443 370 K N -0.432 120.002 120.400 0.057 0.000 2.009 370 K HA -0.096 4.224 4.320 -0.000 0.000 0.210 370 K C 1.887 178.419 176.600 -0.113 0.000 1.049 370 K CA 1.613 57.845 56.287 -0.092 0.000 0.929 370 K CB -0.493 31.833 32.500 -0.290 0.000 0.714 370 K HN 0.461 nan 8.250 nan 0.000 0.440 371 L N -0.289 120.822 121.223 -0.188 0.000 2.129 371 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 371 L C 1.913 178.531 176.870 -0.421 0.000 1.087 371 L CA 1.209 55.821 54.840 -0.381 0.000 0.757 371 L CB -0.272 41.452 42.059 -0.559 0.000 0.896 371 L HN 0.127 nan 8.230 nan 0.000 0.434 372 F N -0.577 119.313 119.950 -0.100 0.000 2.765 372 F HA 0.238 4.764 4.527 -0.000 0.000 0.302 372 F C 1.721 177.476 175.800 -0.075 0.000 1.111 372 F CA 0.516 58.459 58.000 -0.095 0.000 1.359 372 F CB 0.066 38.986 39.000 -0.134 0.000 1.097 372 F HN 0.120 nan 8.300 nan 0.000 0.577 373 G N 1.655 110.498 108.800 0.073 0.000 2.160 373 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 373 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 373 G C 0.741 175.670 174.900 0.048 0.000 1.022 373 G CA 0.499 45.631 45.100 0.053 0.000 0.741 373 G HN 0.598 nan 8.290 nan 0.000 0.508 374 I N -3.546 117.061 120.570 0.061 0.000 3.927 374 I HA 0.443 4.613 4.170 -0.000 0.000 0.332 374 I C 1.705 177.838 176.117 0.027 0.000 1.485 374 I CA -0.851 60.444 61.300 -0.008 0.000 1.131 374 I CB -0.284 37.671 38.000 -0.075 0.000 1.092 374 I HN 0.057 nan 8.210 nan 0.000 0.410 375 Y N 4.754 125.030 120.300 -0.039 0.000 2.043 375 Y HA -0.159 4.391 4.550 -0.000 0.000 0.208 375 Y C -0.507 175.371 175.900 -0.037 0.000 0.977 375 Y CA 2.112 60.191 58.100 -0.034 0.000 0.958 375 Y CB -1.857 36.586 38.460 -0.028 0.000 0.921 375 Y HN 0.120 nan 8.280 nan 0.000 0.542 376 P HA -0.354 nan 4.420 nan 0.000 0.222 376 P C 1.375 178.427 177.300 -0.414 0.000 1.155 376 P CA 2.916 65.594 63.100 -0.703 0.000 0.890 376 P CB -0.330 31.194 31.700 -0.294 0.000 0.790 377 Q N -0.585 119.067 119.800 -0.247 0.000 2.020 377 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 377 Q C 0.507 176.405 176.000 -0.170 0.000 0.982 377 Q CA 1.240 56.936 55.803 -0.178 0.000 0.838 377 Q CB 0.119 28.770 28.738 -0.145 0.000 0.899 377 Q HN 0.165 nan 8.270 nan 0.000 0.423 378 K N -1.945 118.363 120.400 -0.153 0.000 2.295 378 K HA 0.405 4.725 4.320 -0.000 0.000 0.239 378 K C 0.337 176.892 176.600 -0.075 0.000 0.991 378 K CA 0.059 56.284 56.287 -0.104 0.000 0.845 378 K CB 1.569 34.020 32.500 -0.082 0.000 1.197 378 K HN 0.346 nan 8.250 nan 0.000 0.441 379 G N 0.153 108.939 108.800 -0.023 0.000 2.241 379 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.244 379 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.244 379 G C 0.083 175.017 174.900 0.056 0.000 0.998 379 G CA 0.646 45.779 45.100 0.056 0.000 0.621 379 G HN 0.861 nan 8.290 nan 0.000 0.519 380 T N -2.384 112.140 114.554 -0.051 0.000 2.769 380 T HA 0.649 4.999 4.350 -0.000 0.000 0.306 380 T C -1.339 173.317 174.700 -0.073 0.000 1.400 380 T CA -0.878 61.200 62.100 -0.037 0.000 1.007 380 T CB 2.052 70.900 68.868 -0.034 0.000 1.392 380 T HN 0.571 nan 8.240 nan 0.000 0.500 381 L N 2.019 123.217 121.223 -0.042 0.000 2.426 381 L HA 0.507 4.847 4.340 -0.000 0.000 0.255 381 L C 0.078 176.920 176.870 -0.046 0.000 1.080 381 L CA -0.026 54.788 54.840 -0.044 0.000 0.960 381 L CB -0.055 41.990 42.059 -0.022 0.000 1.326 381 L HN 0.722 nan 8.230 nan 0.000 0.441 382 Q N 0.329 120.087 119.800 -0.071 0.000 2.445 382 Q HA 0.557 4.897 4.340 -0.000 0.000 0.281 382 Q C -0.654 175.312 176.000 -0.057 0.000 1.101 382 Q CA -1.120 54.649 55.803 -0.058 0.000 0.833 382 Q CB 3.055 31.753 28.738 -0.067 0.000 1.416 382 Q HN 0.063 nan 8.270 nan 0.000 0.451 383 V N 1.239 121.129 119.914 -0.041 0.000 2.540 383 V HA 0.180 4.300 4.120 -0.000 0.000 0.297 383 V C 1.125 177.194 176.094 -0.041 0.000 1.024 383 V CA 2.159 64.439 62.300 -0.033 0.000 1.105 383 V CB 0.172 31.985 31.823 -0.017 0.000 0.938 383 V HN 1.116 nan 8.190 nan 0.000 0.482 384 G N 3.990 112.766 108.800 -0.040 0.000 2.259 384 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 384 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 384 G C 0.391 175.248 174.900 -0.073 0.000 1.001 384 G CA 0.082 45.153 45.100 -0.049 0.000 0.627 384 G HN 0.734 nan 8.290 nan 0.000 0.501 385 S N 1.378 117.023 115.700 -0.091 0.000 2.614 385 S HA 0.503 4.973 4.470 -0.000 0.000 0.265 385 S C -0.145 174.405 174.600 -0.082 0.000 1.303 385 S CA -0.486 57.645 58.200 -0.114 0.000 1.000 385 S CB 1.046 64.162 63.200 -0.141 0.000 0.935 385 S HN 0.326 nan 8.310 nan 0.000 0.551 386 D N 1.543 121.891 120.400 -0.087 0.000 2.424 386 D HA 0.296 4.935 4.640 -0.000 0.000 0.244 386 D C 0.010 176.283 176.300 -0.045 0.000 1.134 386 D CA 0.040 54.002 54.000 -0.063 0.000 0.881 386 D CB 0.556 41.313 40.800 -0.073 0.000 1.191 386 D HN 0.592 nan 8.370 nan 0.000 0.445 387 A N 2.817 125.623 122.820 -0.023 0.000 2.899 387 A HA 0.123 4.443 4.320 -0.000 0.000 0.287 387 A C -0.497 177.086 177.584 -0.001 0.000 1.715 387 A CA -0.273 51.757 52.037 -0.013 0.000 1.393 387 A CB -0.323 18.677 19.000 -0.000 0.000 1.070 387 A HN 0.240 nan 8.150 nan 0.000 0.587 388 D N 2.581 122.974 120.400 -0.011 0.000 2.460 388 D HA 0.512 5.152 4.640 -0.000 0.000 0.232 388 D C -0.223 176.078 176.300 0.000 0.000 1.079 388 D CA -0.018 53.982 54.000 0.000 0.000 0.864 388 D CB 1.172 41.966 40.800 -0.010 0.000 1.048 388 D HN 0.225 nan 8.370 nan 0.000 0.523 389 L N 0.677 121.904 121.223 0.007 0.000 2.256 389 L HA 0.659 4.999 4.340 -0.000 0.000 0.261 389 L C -0.342 176.535 176.870 0.012 0.000 1.022 389 L CA -1.140 53.706 54.840 0.008 0.000 0.828 389 L CB 0.279 42.342 42.059 0.007 0.000 1.374 389 L HN 0.171 nan 8.230 nan 0.000 0.436 390 L N 1.627 122.861 121.223 0.018 0.000 2.436 390 L HA 0.559 4.899 4.340 -0.000 0.000 0.268 390 L C -0.836 176.053 176.870 0.031 0.000 0.974 390 L CA -0.343 54.509 54.840 0.020 0.000 0.826 390 L CB 2.610 44.681 42.059 0.021 0.000 1.291 390 L HN 0.427 nan 8.230 nan 0.000 0.406 391 I N 3.711 124.296 120.570 0.026 0.000 2.315 391 I HA 0.270 4.440 4.170 -0.000 0.000 0.291 391 I C -0.432 175.712 176.117 0.045 0.000 1.006 391 I CA -0.566 60.753 61.300 0.033 0.000 1.265 391 I CB 1.533 39.541 38.000 0.014 0.000 1.387 391 I HN 0.304 nan 8.210 nan 0.000 0.475 392 L N 6.137 127.407 121.223 0.079 0.000 2.387 392 L HA 0.463 4.803 4.340 -0.000 0.000 0.266 392 L C -0.019 176.904 176.870 0.089 0.000 1.059 392 L CA -0.007 54.888 54.840 0.091 0.000 0.801 392 L CB 0.796 42.938 42.059 0.138 0.000 1.223 392 L HN 0.464 nan 8.230 nan 0.000 0.456 393 D N 1.298 121.745 120.400 0.078 0.000 2.386 393 D HA 0.174 4.814 4.640 -0.000 0.000 0.247 393 D C -0.362 175.983 176.300 0.074 0.000 1.336 393 D CA -0.311 53.730 54.000 0.067 0.000 0.976 393 D CB 1.148 41.971 40.800 0.038 0.000 1.257 393 D HN 0.163 nan 8.370 nan 0.000 0.570 394 L N 2.641 123.928 121.223 0.107 0.000 2.627 394 L HA 0.203 4.543 4.340 -0.000 0.000 0.232 394 L C 0.673 177.581 176.870 0.063 0.000 1.150 394 L CA 0.503 55.397 54.840 0.091 0.000 0.917 394 L CB -0.889 41.249 42.059 0.132 0.000 1.104 394 L HN 0.358 nan 8.230 nan 0.000 0.445 395 D N 0.102 120.533 120.400 0.051 0.000 2.886 395 D HA 0.236 4.876 4.640 -0.000 0.000 0.355 395 D C -0.061 176.254 176.300 0.026 0.000 1.274 395 D CA -0.028 53.993 54.000 0.035 0.000 0.836 395 D CB 0.509 41.328 40.800 0.031 0.000 1.109 395 D HN -0.188 nan 8.370 nan 0.000 0.488 396 I N 0.508 121.093 120.570 0.026 0.000 2.822 396 I HA 0.469 4.639 4.170 -0.000 0.000 0.312 396 I C -0.254 175.875 176.117 0.020 0.000 1.011 396 I CA -0.874 60.439 61.300 0.022 0.000 1.105 396 I CB 1.854 39.868 38.000 0.024 0.000 1.291 396 I HN 0.115 nan 8.210 nan 0.000 0.474 397 D N 1.673 122.084 120.400 0.019 0.000 2.602 397 D HA 0.554 5.194 4.640 -0.000 0.000 0.245 397 D C -0.780 175.532 176.300 0.020 0.000 1.325 397 D CA -0.000 54.011 54.000 0.018 0.000 0.952 397 D CB 1.274 42.083 40.800 0.015 0.000 1.317 397 D HN 0.662 nan 8.370 nan 0.000 0.577 398 T N 1.572 116.140 114.554 0.024 0.000 2.658 398 T HA 0.451 4.801 4.350 -0.000 0.000 0.305 398 T C -1.801 172.920 174.700 0.035 0.000 1.551 398 T CA -0.761 61.356 62.100 0.028 0.000 0.985 398 T CB 0.929 69.815 68.868 0.031 0.000 1.731 398 T HN 0.137 nan 8.240 nan 0.000 0.486 399 K N 1.019 121.443 120.400 0.041 0.000 2.340 399 K HA 0.616 4.936 4.320 -0.000 0.000 0.244 399 K C -0.818 175.823 176.600 0.069 0.000 0.973 399 K CA -0.693 55.624 56.287 0.050 0.000 0.828 399 K CB 2.001 34.525 32.500 0.041 0.000 1.226 399 K HN 0.547 nan 8.250 nan 0.000 0.437 400 V N 1.301 121.271 119.914 0.093 0.000 2.488 400 V HA 0.185 4.305 4.120 -0.000 0.000 0.277 400 V C -0.718 175.426 176.094 0.084 0.000 1.046 400 V CA -0.014 62.369 62.300 0.139 0.000 0.986 400 V CB 0.828 32.778 31.823 0.212 0.000 0.989 400 V HN 0.666 nan 8.190 nan 0.000 0.475 401 D N 5.263 125.702 120.400 0.066 0.000 2.462 401 D HA 0.538 5.178 4.640 -0.000 0.000 0.249 401 D C 0.863 177.035 176.300 -0.213 0.000 1.117 401 D CA 0.204 54.182 54.000 -0.038 0.000 0.900 401 D CB 1.395 42.194 40.800 -0.001 0.000 1.039 401 D HN 0.708 nan 8.370 nan 0.000 0.516 402 A N 2.540 125.073 122.820 -0.478 0.000 1.997 402 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 402 A C 2.060 179.205 177.584 -0.733 0.000 1.172 402 A CA 2.187 53.525 52.037 -1.165 0.000 0.645 402 A CB -0.522 18.005 19.000 -0.788 0.000 0.813 402 A HN 0.583 nan 8.150 nan 0.000 0.454 403 S N -1.415 114.103 115.700 -0.303 0.000 2.474 403 S HA -0.094 4.376 4.470 -0.000 0.000 0.235 403 S C 1.486 176.065 174.600 -0.036 0.000 0.997 403 S CA 1.064 59.188 58.200 -0.126 0.000 0.949 403 S CB -0.148 63.010 63.200 -0.071 0.000 0.766 403 S HN 0.560 nan 8.310 nan 0.000 0.517 404 Q N 0.158 119.953 119.800 -0.007 0.000 2.392 404 Q HA 0.341 4.681 4.340 -0.000 0.000 0.203 404 Q C -0.399 175.750 176.000 0.248 0.000 0.917 404 Q CA -0.156 55.709 55.803 0.103 0.000 0.939 404 Q CB -0.297 28.503 28.738 0.104 0.000 1.063 404 Q HN 0.499 nan 8.270 nan 0.000 0.516 405 F N 1.802 121.771 119.950 0.032 0.000 2.629 405 F HA -0.062 4.465 4.527 -0.000 0.000 0.369 405 F C 1.662 177.480 175.800 0.029 0.000 1.125 405 F CA 0.264 58.285 58.000 0.035 0.000 1.330 405 F CB 0.447 39.471 39.000 0.039 0.000 1.071 405 F HN -0.039 nan 8.300 nan 0.000 0.595 406 R N 0.701 121.300 120.500 0.165 0.000 2.276 406 R HA 0.017 4.356 4.340 -0.000 0.000 0.196 406 R C 0.832 177.178 176.300 0.077 0.000 0.961 406 R CA 0.330 56.482 56.100 0.087 0.000 1.024 406 R CB -0.826 29.493 30.300 0.032 0.000 0.940 406 R HN 0.605 nan 8.270 nan 0.000 0.480 407 S N 0.492 116.253 115.700 0.102 0.000 2.617 407 S HA 0.049 4.519 4.470 -0.000 0.000 0.259 407 S C 1.422 176.067 174.600 0.075 0.000 1.301 407 S CA -0.657 57.603 58.200 0.101 0.000 0.984 407 S CB 0.900 64.202 63.200 0.169 0.000 0.954 407 S HN 0.077 nan 8.310 nan 0.000 0.572 408 L N 0.831 122.060 121.223 0.009 0.000 2.012 408 L HA -0.008 4.332 4.340 -0.000 0.000 0.210 408 L C 0.950 177.717 176.870 -0.172 0.000 1.073 408 L CA 1.833 56.597 54.840 -0.127 0.000 0.748 408 L CB -0.839 41.067 42.059 -0.254 0.000 0.891 408 L HN 0.693 nan 8.230 nan 0.000 0.431 409 H N -0.044 119.068 119.070 0.069 0.000 2.482 409 H HA 0.322 4.878 4.556 -0.000 0.000 0.344 409 H C -0.114 175.247 175.328 0.055 0.000 1.151 409 H CA -0.353 55.725 56.048 0.049 0.000 1.300 409 H CB 1.208 30.941 29.762 -0.048 0.000 1.494 409 H HN -0.040 nan 8.280 nan 0.000 0.542 410 K N 2.429 122.955 120.400 0.210 0.000 3.122 410 K HA 0.173 4.493 4.320 -0.000 0.000 0.193 410 K C -1.357 175.224 176.600 -0.031 0.000 1.141 410 K CA -0.292 56.034 56.287 0.064 0.000 0.975 410 K CB 0.035 32.568 32.500 0.055 0.000 1.173 410 K HN 0.434 nan 8.250 nan 0.000 0.546 411 Y N -3.157 117.091 120.300 -0.086 0.000 2.597 411 Y HA 0.810 5.360 4.550 -0.000 0.000 0.340 411 Y C -0.604 175.220 175.900 -0.126 0.000 1.097 411 Y CA -1.424 56.536 58.100 -0.234 0.000 1.037 411 Y CB 1.718 40.009 38.460 -0.282 0.000 1.305 411 Y HN -0.060 nan 8.280 nan 0.000 0.463 412 S N 0.839 116.531 115.700 -0.012 0.000 2.543 412 S HA 0.467 4.937 4.470 -0.000 0.000 0.274 412 S C -2.771 171.809 174.600 -0.035 0.000 1.149 412 S CA -1.146 57.090 58.200 0.059 0.000 0.866 412 S CB 1.629 64.963 63.200 0.224 0.000 1.111 412 S HN 0.468 nan 8.310 nan 0.000 0.457 413 P HA 0.096 nan 4.420 nan 0.000 0.222 413 P C 0.500 177.615 177.300 -0.309 0.000 1.147 413 P CA 0.923 63.835 63.100 -0.313 0.000 0.790 413 P CB -0.058 31.283 31.700 -0.598 0.000 0.780 414 F N -1.404 118.604 119.950 0.096 0.000 2.765 414 F HA 0.155 4.682 4.527 -0.000 0.000 0.302 414 F C 0.852 176.692 175.800 0.067 0.000 1.111 414 F CA -0.941 57.114 58.000 0.091 0.000 1.359 414 F CB -1.208 37.863 39.000 0.119 0.000 1.097 414 F HN -0.167 nan 8.300 nan 0.000 0.577 415 D N 0.348 120.829 120.400 0.135 0.000 2.583 415 D HA 0.263 4.903 4.640 -0.000 0.000 0.232 415 D C 1.437 177.772 176.300 0.060 0.000 1.128 415 D CA 1.778 55.803 54.000 0.043 0.000 0.859 415 D CB 0.562 41.322 40.800 -0.067 0.000 1.169 415 D HN 0.434 nan 8.370 nan 0.000 0.481 416 G N 3.080 111.911 108.800 0.051 0.000 2.284 416 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.247 416 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.247 416 G C 0.680 175.623 174.900 0.071 0.000 1.012 416 G CA 0.359 45.488 45.100 0.048 0.000 0.618 416 G HN 0.556 nan 8.290 nan 0.000 0.521 417 M N 2.978 122.645 119.600 0.111 0.000 2.248 417 M HA 0.283 4.763 4.480 -0.000 0.000 0.337 417 M C -1.567 174.783 176.300 0.082 0.000 1.121 417 M CA -1.153 54.214 55.300 0.111 0.000 1.155 417 M CB 0.432 33.133 32.600 0.169 0.000 1.514 417 M HN 0.085 nan 8.290 nan 0.000 0.452 418 P HA 0.180 nan 4.420 nan 0.000 0.274 418 P C -1.204 176.117 177.300 0.035 0.000 1.231 418 P CA -0.263 62.863 63.100 0.043 0.000 0.790 418 P CB 0.792 32.511 31.700 0.033 0.000 0.951 419 V N 2.471 122.403 119.914 0.030 0.000 2.482 419 V HA 0.249 4.369 4.120 -0.000 0.000 0.295 419 V C 1.181 177.286 176.094 0.019 0.000 1.026 419 V CA -0.184 62.129 62.300 0.022 0.000 0.856 419 V CB 1.447 33.287 31.823 0.029 0.000 1.001 419 V HN 0.742 nan 8.190 nan 0.000 0.424 420 T N -0.098 114.464 114.554 0.014 0.000 3.044 420 T HA 0.439 4.789 4.350 -0.000 0.000 0.260 420 T C 0.574 175.286 174.700 0.020 0.000 1.019 420 T CA 0.395 62.505 62.100 0.016 0.000 0.921 420 T CB 0.620 69.495 68.868 0.012 0.000 1.053 420 T HN 0.963 nan 8.240 nan 0.000 0.533 421 G N -0.102 108.709 108.800 0.018 0.000 2.746 421 G HA2 0.741 4.701 3.960 -0.000 0.000 0.297 421 G HA3 0.741 4.701 3.960 -0.000 0.000 0.297 421 G C -1.473 173.438 174.900 0.019 0.000 1.426 421 G CA -0.390 44.725 45.100 0.024 0.000 0.989 421 G HN 0.721 nan 8.290 nan 0.000 0.520 422 A N 2.037 124.872 122.820 0.024 0.000 2.583 422 A HA 0.908 5.228 4.320 -0.000 0.000 0.292 422 A C -3.221 174.377 177.584 0.022 0.000 1.045 422 A CA -1.060 50.987 52.037 0.017 0.000 0.672 422 A CB 1.733 20.742 19.000 0.015 0.000 1.283 422 A HN 0.614 nan 8.150 nan 0.000 0.419 423 P HA 0.318 nan 4.420 nan 0.000 0.276 423 P C 0.604 177.912 177.300 0.013 0.000 1.230 423 P CA 0.195 63.305 63.100 0.017 0.000 0.776 423 P CB 1.243 32.948 31.700 0.008 0.000 0.888 424 V N 1.194 121.117 119.914 0.015 0.000 3.528 424 V HA 0.363 4.483 4.120 -0.000 0.000 0.294 424 V C 0.192 176.288 176.094 0.003 0.000 1.404 424 V CA 0.235 62.541 62.300 0.010 0.000 1.065 424 V CB 0.478 32.309 31.823 0.012 0.000 0.904 424 V HN 0.395 nan 8.190 nan 0.000 0.435 425 L N 1.653 122.878 121.223 0.003 0.000 2.565 425 L HA 0.743 5.083 4.340 -0.000 0.000 0.261 425 L C -1.340 175.529 176.870 -0.001 0.000 0.932 425 L CA 0.695 55.533 54.840 -0.003 0.000 0.878 425 L CB 1.569 43.627 42.059 -0.003 0.000 1.333 425 L HN 0.424 nan 8.230 nan 0.000 0.409 426 T N 4.849 119.398 114.554 -0.007 0.000 2.928 426 T HA 0.751 5.101 4.350 -0.000 0.000 0.296 426 T C -0.651 174.047 174.700 -0.003 0.000 1.000 426 T CA -0.567 61.532 62.100 -0.002 0.000 0.989 426 T CB 1.035 69.902 68.868 -0.002 0.000 1.005 426 T HN 0.781 nan 8.240 nan 0.000 0.442 427 M N 3.834 123.440 119.600 0.009 0.000 2.518 427 M HA 0.854 5.334 4.480 -0.000 0.000 0.300 427 M C -1.265 175.067 176.300 0.053 0.000 1.175 427 M CA -1.156 54.156 55.300 0.020 0.000 0.890 427 M CB 2.374 34.982 32.600 0.013 0.000 1.710 427 M HN 0.497 nan 8.290 nan 0.000 0.453 428 V N 1.951 121.933 119.914 0.113 0.000 2.588 428 V HA 0.623 4.743 4.120 -0.000 0.000 0.304 428 V C 0.104 176.303 176.094 0.174 0.000 1.042 428 V CA -0.426 61.958 62.300 0.140 0.000 0.877 428 V CB 1.777 33.713 31.823 0.189 0.000 0.996 428 V HN 1.078 nan 8.190 nan 0.000 0.425 429 R N 4.276 124.823 120.500 0.078 0.000 3.322 429 R HA -0.180 4.160 4.340 -0.000 0.000 0.253 429 R C 1.236 177.589 176.300 0.088 0.000 0.987 429 R CA 0.914 57.048 56.100 0.057 0.000 0.666 429 R CB -1.705 28.606 30.300 0.019 0.000 1.072 429 R HN 2.254 nan 8.270 nan 0.000 0.447 430 G N -1.048 107.793 108.800 0.068 0.000 2.184 430 G HA2 -0.375 3.584 3.960 -0.000 0.000 0.264 430 G HA3 -0.375 3.584 3.960 -0.000 0.000 0.264 430 G C 0.114 175.051 174.900 0.063 0.000 0.975 430 G CA 0.816 45.951 45.100 0.058 0.000 0.642 430 G HN 0.824 nan 8.290 nan 0.000 0.536 431 T N -1.518 113.089 114.554 0.088 0.000 2.841 431 T HA 0.620 4.970 4.350 -0.000 0.000 0.283 431 T C 0.047 174.722 174.700 -0.041 0.000 1.000 431 T CA -0.115 61.999 62.100 0.023 0.000 0.977 431 T CB 2.154 71.035 68.868 0.022 0.000 0.979 431 T HN 0.827 nan 8.240 nan 0.000 0.446 432 V N 5.810 125.684 119.914 -0.065 0.000 2.425 432 V HA 0.112 4.232 4.120 -0.000 0.000 0.276 432 V C 1.761 177.771 176.094 -0.141 0.000 1.017 432 V CA 0.358 62.613 62.300 -0.074 0.000 1.062 432 V CB 0.291 32.081 31.823 -0.055 0.000 0.997 432 V HN 0.906 nan 8.190 nan 0.000 0.476 433 V N 2.151 121.985 119.914 -0.133 0.000 3.307 433 V HA 0.649 4.769 4.120 -0.000 0.000 0.253 433 V C 0.750 176.782 176.094 -0.104 0.000 1.149 433 V CA 0.782 62.972 62.300 -0.183 0.000 1.112 433 V CB 0.068 31.804 31.823 -0.145 0.000 0.777 433 V HN 0.877 nan 8.190 nan 0.000 0.464 434 A N 0.257 123.039 122.820 -0.065 0.000 2.488 434 A HA 0.780 5.100 4.320 -0.000 0.000 0.295 434 A C -0.922 176.643 177.584 -0.032 0.000 1.045 434 A CA -0.352 51.659 52.037 -0.043 0.000 0.703 434 A CB 1.702 20.684 19.000 -0.030 0.000 1.271 434 A HN 0.456 nan 8.150 nan 0.000 0.400 435 E N 2.245 122.429 120.200 -0.027 0.000 2.263 435 E HA 0.471 4.821 4.350 -0.000 0.000 0.268 435 E C -0.574 176.020 176.600 -0.011 0.000 0.884 435 E CA -0.662 55.727 56.400 -0.019 0.000 0.766 435 E CB 0.774 30.460 29.700 -0.022 0.000 1.196 435 E HN 0.706 nan 8.360 nan 0.000 0.416 436 K N 3.054 123.450 120.400 -0.005 0.000 3.834 436 K HA -0.283 4.037 4.320 -0.000 0.000 0.276 436 K C 0.617 177.219 176.600 0.003 0.000 0.850 436 K CA 0.886 57.174 56.287 0.001 0.000 0.704 436 K CB -2.453 30.047 32.500 0.001 0.000 1.644 436 K HN 1.035 nan 8.250 nan 0.000 0.440 437 G N -0.559 108.243 108.800 0.003 0.000 2.184 437 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.264 437 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.264 437 G C -0.254 174.648 174.900 0.004 0.000 0.975 437 G CA 0.582 45.687 45.100 0.008 0.000 0.642 437 G HN 0.587 nan 8.290 nan 0.000 0.536 438 E N 0.238 120.435 120.200 -0.006 0.000 2.158 438 E HA 0.498 4.848 4.350 -0.000 0.000 0.271 438 E C -0.036 176.550 176.600 -0.023 0.000 0.911 438 E CA -0.615 55.779 56.400 -0.011 0.000 0.767 438 E CB 2.285 31.977 29.700 -0.013 0.000 1.120 438 E HN 0.105 nan 8.360 nan 0.000 0.405 439 V N 4.773 124.673 119.914 -0.023 0.000 2.530 439 V HA 0.113 4.233 4.120 -0.000 0.000 0.282 439 V C 1.046 177.109 176.094 -0.052 0.000 1.048 439 V CA 0.019 62.296 62.300 -0.039 0.000 0.997 439 V CB 0.720 32.526 31.823 -0.028 0.000 0.987 439 V HN 0.589 nan 8.190 nan 0.000 0.477 440 L N 5.200 126.373 121.223 -0.084 0.000 3.014 440 L HA 0.420 4.760 4.340 -0.000 0.000 0.263 440 L C -0.027 176.759 176.870 -0.140 0.000 1.207 440 L CA 0.275 55.058 54.840 -0.095 0.000 1.017 440 L CB 0.856 42.858 42.059 -0.095 0.000 1.360 440 L HN 0.448 nan 8.230 nan 0.000 0.560 441 V N 0.509 120.326 119.914 -0.162 0.000 2.823 441 V HA 0.387 4.507 4.120 -0.000 0.000 0.312 441 V C -0.730 175.313 176.094 -0.085 0.000 1.072 441 V CA -0.620 61.548 62.300 -0.220 0.000 0.937 441 V CB 2.606 34.118 31.823 -0.518 0.000 1.013 441 V HN 0.317 nan 8.190 nan 0.000 0.430 442 E N 3.786 123.967 120.200 -0.031 0.000 2.349 442 E HA 0.353 4.703 4.350 -0.000 0.000 0.262 442 E C -0.292 176.356 176.600 0.079 0.000 1.088 442 E CA -0.590 55.826 56.400 0.027 0.000 0.899 442 E CB 0.172 29.893 29.700 0.034 0.000 1.044 442 E HN 0.709 nan 8.360 nan 0.000 0.420 443 Q N 0.444 120.283 119.800 0.064 0.000 2.330 443 Q HA 0.315 4.654 4.340 -0.000 0.000 0.279 443 Q C 0.552 176.603 176.000 0.085 0.000 1.024 443 Q CA 0.159 56.007 55.803 0.074 0.000 0.900 443 Q CB 0.247 29.017 28.738 0.053 0.000 1.221 443 Q HN 0.935 nan 8.270 nan 0.000 0.396 444 G N 2.196 111.047 108.800 0.085 0.000 2.213 444 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.226 444 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.226 444 G C 0.117 175.078 174.900 0.101 0.000 0.992 444 G CA 0.108 45.247 45.100 0.065 0.000 0.632 444 G HN 0.730 nan 8.290 nan 0.000 0.511 445 F N 2.580 122.540 119.950 0.017 0.000 2.202 445 F HA 0.244 4.771 4.527 -0.000 0.000 0.301 445 F C 1.844 177.670 175.800 0.042 0.000 1.082 445 F CA 1.656 59.669 58.000 0.022 0.000 1.313 445 F CB -0.471 38.537 39.000 0.013 0.000 1.024 445 F HN 0.381 nan 8.300 nan 0.000 0.495 446 G N 1.947 110.727 108.800 -0.033 0.000 2.380 446 G HA2 0.277 4.237 3.960 -0.000 0.000 0.242 446 G HA3 0.277 4.237 3.960 -0.000 0.000 0.242 446 G C -0.715 174.198 174.900 0.023 0.000 1.298 446 G CA -0.555 44.523 45.100 -0.038 0.000 0.878 446 G HN 0.319 nan 8.290 nan 0.000 0.542 447 Q N 0.575 120.309 119.800 -0.109 0.000 2.257 447 Q HA 0.316 4.656 4.340 -0.000 0.000 0.262 447 Q C -0.871 174.831 176.000 -0.496 0.000 0.997 447 Q CA -0.888 54.817 55.803 -0.163 0.000 0.873 447 Q CB 2.492 31.087 28.738 -0.238 0.000 1.312 447 Q HN 0.503 nan 8.270 nan 0.000 0.450 448 F N 1.986 121.468 119.950 -0.780 0.000 2.443 448 F HA 0.326 4.853 4.527 -0.000 0.000 0.353 448 F C -0.351 175.046 175.800 -0.671 0.000 1.101 448 F CA -0.541 56.731 58.000 -1.213 0.000 1.226 448 F CB 0.655 39.269 39.000 -0.643 0.000 1.140 448 F HN 0.238 nan 8.300 nan 0.000 0.557 449 V N 5.291 124.474 119.914 -1.217 0.000 2.769 449 V HA 0.872 4.992 4.120 -0.000 0.000 0.312 449 V C -0.738 174.742 176.094 -1.023 0.000 1.061 449 V CA 0.336 62.128 62.300 -0.847 0.000 0.931 449 V CB 1.708 33.218 31.823 -0.521 0.000 1.010 449 V HN 1.078 nan 8.190 nan 0.000 0.433 450 T N 3.370 117.535 114.554 -0.649 0.000 2.627 450 T HA 0.736 5.086 4.350 -0.000 0.000 0.294 450 T C -0.510 174.042 174.700 -0.247 0.000 1.230 450 T CA 0.204 62.012 62.100 -0.487 0.000 1.084 450 T CB 1.074 69.657 68.868 -0.475 0.000 1.693 450 T HN 1.828 nan 8.240 nan 0.000 0.465 451 R N 0.000 120.404 120.500 -0.159 0.000 2.786 451 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 451 R CA 0.000 56.049 56.100 -0.084 0.000 0.921 451 R CB 0.000 30.254 30.300 -0.076 0.000 0.687 451 R HN 0.000 nan 8.270 nan 0.000 0.535