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 3mjs_1_A DATA FIRST_RESID -2 DATA SEQUENCE SHMDALRYHI EWNRVAEPGT ARPAGRLLAV ISPDHAGAPW VTAVLDALGP DATA SEQUENCE DTVRFEAKGT DRAAWAAQLA QLREDEGEFH AVVSLLAAAE ALHTDHGSVP DATA SEQUENCE LGLAQTLLLA QALGDAGLTA PLWCLTRGGV AAGRGDVLSS PVQGALWGLG DATA SEQUENCE RVIGLEHPDR WGGLIDLPET VDTRAAARLT GLLADAGGED QLAIRGSGVL DATA SEQUENCE ARRLAHAAPA VPGSGKRPPV HGSVLVTGGT GGIGGRVARR LAEQGAAHLV DATA SEQUENCE LTSRRGADAP GAAELRAELE QLGVRVTIAA CDAADREALA ALLAELPEDA DATA SEQUENCE PLTAVFHSAG VAHDDAPVAD LTLGQLDALM RAKLTAARHL HELTADLDLD DATA SEQUENCE AFVLFSSGAA VWGSGGQPGY AAANAYLDAL AEHRRSLGLT ASSVAWGTWG DATA SEQUENCE EVGMATDPEV HDRLVRQGVL AMEPEHALGA LDQMLENDDT AAAITLMDWE DATA SEQUENCE MFAPAFTANR PSALLSTVPE AVSALS 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 -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.572 174.600 -0.046 0.000 1.055 -2 S CA 0.000 58.171 58.200 -0.048 0.000 1.107 -2 S CB 0.000 63.178 63.200 -0.037 0.000 0.593 -1 H N 2.498 121.495 119.070 -0.121 0.000 2.353 -1 H HA 0.141 4.704 4.556 0.012 0.000 0.300 -1 H C 1.769 177.001 175.328 -0.160 0.000 1.090 -1 H CA 1.635 57.586 56.048 -0.163 0.000 1.327 -1 H CB -0.271 29.350 29.762 -0.235 0.000 1.383 -1 H HN 0.449 nan 8.280 nan 0.000 0.508 0 M N 0.711 119.939 119.600 -0.620 0.000 2.200 0 M HA -0.103 4.382 4.480 0.010 0.000 0.265 0 M C 1.876 178.049 176.300 -0.211 0.000 1.066 0 M CA 1.270 56.296 55.300 -0.456 0.000 1.127 0 M CB 0.025 32.416 32.600 -0.349 0.000 1.379 0 M HN 0.166 nan 8.290 nan 0.000 0.420 1 D N 0.858 121.162 120.400 -0.160 0.000 2.149 1 D HA -0.134 4.512 4.640 0.010 0.000 0.198 1 D C 1.879 178.093 176.300 -0.144 0.000 0.990 1 D CA 1.617 55.538 54.000 -0.131 0.000 0.839 1 D CB -0.128 40.601 40.800 -0.118 0.000 0.948 1 D HN 0.359 nan 8.370 nan 0.000 0.460 2 A N 0.232 122.976 122.820 -0.127 0.000 2.121 2 A HA -0.034 4.292 4.320 0.010 0.000 0.218 2 A C 2.226 179.782 177.584 -0.045 0.000 1.154 2 A CA 0.471 52.450 52.037 -0.096 0.000 0.679 2 A CB -0.434 18.543 19.000 -0.037 0.000 0.795 2 A HN 0.224 nan 8.150 nan 0.000 0.458 3 L N -1.097 120.104 121.223 -0.037 0.000 2.418 3 L HA 0.074 4.420 4.340 0.010 0.000 0.218 3 L C 0.743 177.682 176.870 0.115 0.000 1.125 3 L CA 0.173 55.065 54.840 0.088 0.000 0.835 3 L CB -0.157 41.937 42.059 0.057 0.000 0.953 3 L HN 0.231 nan 8.230 nan 0.000 0.454 4 R N -0.223 120.236 120.500 -0.069 0.000 2.294 4 R HA 0.485 4.831 4.340 0.010 0.000 0.319 4 R C -1.479 174.697 176.300 -0.206 0.000 0.984 4 R CA -0.394 55.683 56.100 -0.038 0.000 0.861 4 R CB 1.130 31.388 30.300 -0.070 0.000 1.104 4 R HN -0.137 nan 8.270 nan 0.000 0.451 5 Y N 0.884 121.205 120.300 0.036 0.000 2.570 5 Y HA 0.368 4.923 4.550 0.008 0.000 0.345 5 Y C 0.409 176.370 175.900 0.101 0.000 1.014 5 Y CA -0.931 57.193 58.100 0.039 0.000 1.063 5 Y CB 1.844 40.349 38.460 0.075 0.000 1.272 5 Y HN 0.630 nan 8.280 nan 0.000 0.477 6 H N -0.457 118.705 119.070 0.154 0.000 2.946 6 H HA 0.647 5.201 4.556 -0.004 0.000 0.365 6 H C -1.399 173.965 175.328 0.060 0.000 1.197 6 H CA -1.318 54.786 56.048 0.094 0.000 1.131 6 H CB 1.611 31.408 29.762 0.057 0.000 1.849 6 H HN 0.380 nan 8.280 nan 0.000 0.555 7 I N 2.277 122.876 120.570 0.049 0.000 2.441 7 I HA 0.141 4.316 4.170 0.010 0.000 0.287 7 I C 0.162 176.098 176.117 -0.302 0.000 1.049 7 I CA 0.210 61.433 61.300 -0.128 0.000 1.381 7 I CB 0.889 38.843 38.000 -0.076 0.000 1.409 7 I HN 0.759 nan 8.210 nan 0.000 0.523 8 E N 4.713 124.709 120.200 -0.340 0.000 2.410 8 E HA 0.484 4.840 4.350 0.010 0.000 0.269 8 E C -1.730 174.670 176.600 -0.333 0.000 0.937 8 E CA -0.657 55.599 56.400 -0.240 0.000 0.793 8 E CB 2.037 31.615 29.700 -0.203 0.000 1.314 8 E HN 0.358 nan 8.360 nan 0.000 0.447 9 W N 0.863 122.120 121.300 -0.071 0.000 2.600 9 W HA 0.408 5.065 4.660 -0.006 0.000 0.325 9 W C -0.285 176.224 176.519 -0.015 0.000 1.034 9 W CA -0.300 57.026 57.345 -0.030 0.000 1.226 9 W CB 1.182 30.618 29.460 -0.040 0.000 1.379 9 W HN 0.310 nan 8.180 nan 0.000 0.466 10 N N 1.874 120.685 118.700 0.186 0.000 2.335 10 N HA 0.445 5.191 4.740 0.010 0.000 0.304 10 N C -0.694 174.896 175.510 0.134 0.000 1.135 10 N CA -1.198 51.923 53.050 0.120 0.000 0.817 10 N CB 1.910 40.434 38.487 0.060 0.000 1.294 10 N HN 0.288 nan 8.380 nan 0.000 0.497 11 R N 1.634 122.192 120.500 0.097 0.000 2.491 11 R HA 0.241 4.586 4.340 0.010 0.000 0.283 11 R C -0.270 176.076 176.300 0.077 0.000 1.072 11 R CA -0.284 55.868 56.100 0.086 0.000 1.048 11 R CB 0.389 30.725 30.300 0.059 0.000 0.983 11 R HN 0.447 nan 8.270 nan 0.000 0.450 12 V N 0.627 120.590 119.914 0.081 0.000 3.229 12 V HA 0.786 4.912 4.120 0.010 0.000 0.310 12 V C -0.099 176.029 176.094 0.056 0.000 1.206 12 V CA -1.005 61.338 62.300 0.071 0.000 1.051 12 V CB 1.211 33.087 31.823 0.088 0.000 1.183 12 V HN 0.913 nan 8.190 nan 0.000 0.466 13 A N 0.395 123.245 122.820 0.050 0.000 2.445 13 A HA 0.392 4.717 4.320 0.010 0.000 0.242 13 A C 0.413 178.017 177.584 0.034 0.000 1.075 13 A CA -0.205 51.855 52.037 0.038 0.000 0.777 13 A CB -0.343 18.677 19.000 0.034 0.000 1.013 13 A HN 0.849 nan 8.150 nan 0.000 0.493 14 E N 2.354 122.569 120.200 0.025 0.000 2.465 14 E HA 0.148 4.504 4.350 0.010 0.000 0.260 14 E C -1.761 174.847 176.600 0.013 0.000 0.980 14 E CA -0.827 55.583 56.400 0.017 0.000 0.927 14 E CB -0.007 29.699 29.700 0.011 0.000 0.934 14 E HN 0.531 nan 8.360 nan 0.000 0.459 15 P HA 0.119 nan 4.420 nan 0.000 0.275 15 P C 0.342 177.639 177.300 -0.005 0.000 1.266 15 P CA -0.465 62.635 63.100 0.000 0.000 0.793 15 P CB 0.456 32.146 31.700 -0.017 0.000 1.074 16 G N -0.649 108.147 108.800 -0.006 0.000 2.750 16 G HA2 0.220 4.186 3.960 0.010 0.000 0.250 16 G HA3 0.220 4.186 3.960 0.010 0.000 0.250 16 G C 0.971 175.860 174.900 -0.019 0.000 1.230 16 G CA 0.370 45.464 45.100 -0.010 0.000 0.883 16 G HN 0.638 nan 8.290 nan 0.000 0.573 17 T N -3.040 111.503 114.554 -0.019 0.000 3.022 17 T HA 0.515 4.871 4.350 0.010 0.000 0.250 17 T C 0.921 175.604 174.700 -0.029 0.000 1.060 17 T CA 0.615 62.703 62.100 -0.022 0.000 1.013 17 T CB 0.266 69.124 68.868 -0.015 0.000 0.982 17 T HN 0.849 nan 8.240 nan 0.000 0.508 18 A N 2.659 125.458 122.820 -0.034 0.000 2.301 18 A HA 0.667 4.993 4.320 0.010 0.000 0.312 18 A C 0.617 178.164 177.584 -0.063 0.000 1.182 18 A CA -1.162 50.849 52.037 -0.043 0.000 0.826 18 A CB 0.552 19.529 19.000 -0.039 0.000 1.134 18 A HN 0.651 nan 8.150 nan 0.000 0.501 19 R N 1.777 122.235 120.500 -0.069 0.000 2.726 19 R HA 0.400 4.746 4.340 0.010 0.000 0.272 19 R C -2.572 173.641 176.300 -0.145 0.000 1.097 19 R CA -1.209 54.834 56.100 -0.095 0.000 1.198 19 R CB -0.772 29.482 30.300 -0.077 0.000 1.114 19 R HN 0.331 nan 8.270 nan 0.000 0.550 20 P HA -0.040 nan 4.420 nan 0.000 0.266 20 P C -0.151 176.979 177.300 -0.285 0.000 1.195 20 P CA 0.382 63.229 63.100 -0.422 0.000 0.768 20 P CB 0.836 32.151 31.700 -0.643 0.000 0.838 21 A N 3.479 126.146 122.820 -0.254 0.000 1.897 21 A HA 0.123 4.449 4.320 0.010 0.000 0.215 21 A C 1.385 178.925 177.584 -0.073 0.000 1.181 21 A CA 1.589 53.558 52.037 -0.115 0.000 0.620 21 A CB -1.228 17.734 19.000 -0.062 0.000 0.821 21 A HN 0.625 nan 8.150 nan 0.000 0.443 22 G N -1.039 107.727 108.800 -0.057 0.000 2.616 22 G HA2 0.434 4.399 3.960 0.010 0.000 0.268 22 G HA3 0.434 4.399 3.960 0.010 0.000 0.268 22 G C -0.060 174.878 174.900 0.064 0.000 1.213 22 G CA -0.641 44.483 45.100 0.040 0.000 0.926 22 G HN 0.495 nan 8.290 nan 0.000 0.523 23 R N -0.929 119.633 120.500 0.102 0.000 2.441 23 R HA 0.407 4.753 4.340 0.010 0.000 0.284 23 R C 0.037 176.530 176.300 0.322 0.000 1.070 23 R CA -0.334 55.864 56.100 0.163 0.000 1.047 23 R CB 0.397 30.779 30.300 0.138 0.000 1.016 23 R HN 0.352 nan 8.270 nan 0.000 0.477 24 L N 4.094 125.459 121.223 0.237 0.000 2.379 24 L HA 0.396 4.741 4.340 0.010 0.000 0.269 24 L C -0.583 176.353 176.870 0.110 0.000 1.084 24 L CA -0.950 54.003 54.840 0.189 0.000 0.802 24 L CB 1.141 43.251 42.059 0.084 0.000 1.175 24 L HN 0.455 nan 8.230 nan 0.000 0.448 25 L N 2.612 123.748 121.223 -0.145 0.000 2.294 25 L HA 0.661 5.006 4.340 0.010 0.000 0.283 25 L C -0.192 176.573 176.870 -0.174 0.000 1.015 25 L CA -0.182 54.423 54.840 -0.392 0.000 0.831 25 L CB 1.112 42.564 42.059 -1.011 0.000 1.217 25 L HN 0.616 nan 8.230 nan 0.000 0.420 26 A N 5.028 127.793 122.820 -0.092 0.000 2.301 26 A HA 0.739 5.064 4.320 0.010 0.000 0.312 26 A C -0.895 176.668 177.584 -0.035 0.000 1.182 26 A CA -0.498 51.510 52.037 -0.048 0.000 0.826 26 A CB 0.977 19.954 19.000 -0.038 0.000 1.134 26 A HN 0.531 nan 8.150 nan 0.000 0.501 27 V N 4.207 124.108 119.914 -0.021 0.000 2.409 27 V HA 0.417 4.542 4.120 0.010 0.000 0.291 27 V C -0.314 175.734 176.094 -0.077 0.000 1.020 27 V CA -0.088 62.203 62.300 -0.014 0.000 0.848 27 V CB 1.036 32.879 31.823 0.035 0.000 0.990 27 V HN 0.748 nan 8.190 nan 0.000 0.430 28 I N 2.872 123.351 120.570 -0.151 0.000 2.530 28 I HA 0.407 4.583 4.170 0.010 0.000 0.297 28 I C 0.254 176.259 176.117 -0.187 0.000 1.011 28 I CA -0.397 60.808 61.300 -0.158 0.000 1.107 28 I CB 2.225 40.128 38.000 -0.162 0.000 1.285 28 I HN 0.535 nan 8.210 nan 0.000 0.436 29 S N 6.691 122.325 115.700 -0.109 0.000 2.411 29 S HA 0.314 4.789 4.470 0.010 0.000 0.294 29 S C -1.335 173.232 174.600 -0.056 0.000 1.115 29 S CA -1.568 56.600 58.200 -0.054 0.000 1.071 29 S CB 0.697 63.933 63.200 0.061 0.000 0.967 29 S HN 0.425 nan 8.310 nan 0.000 0.488 30 P HA -0.028 nan 4.420 nan 0.000 0.223 30 P C 0.251 177.478 177.300 -0.123 0.000 1.151 30 P CA 0.841 63.870 63.100 -0.119 0.000 0.787 30 P CB 0.160 31.778 31.700 -0.136 0.000 0.788 31 D N -1.366 118.953 120.400 -0.134 0.000 2.349 31 D HA -0.026 4.619 4.640 0.010 0.000 0.224 31 D C 0.429 176.380 176.300 -0.581 0.000 1.029 31 D CA 0.775 54.575 54.000 -0.335 0.000 0.879 31 D CB -0.158 40.417 40.800 -0.375 0.000 0.906 31 D HN 0.402 nan 8.370 nan 0.000 0.528 32 H N -0.620 118.413 119.070 -0.062 0.000 2.823 32 H HA 0.462 5.024 4.556 0.010 0.000 0.222 32 H C -0.141 175.124 175.328 -0.105 0.000 1.414 32 H CA -0.196 55.818 56.048 -0.057 0.000 1.289 32 H CB 0.829 30.578 29.762 -0.023 0.000 1.970 32 H HN -0.010 nan 8.280 nan 0.000 0.517 33 A N -0.004 122.770 122.820 -0.077 0.000 2.603 33 A HA 0.362 4.688 4.320 0.010 0.000 0.277 33 A C 1.893 179.387 177.584 -0.150 0.000 1.158 33 A CA 0.401 52.355 52.037 -0.139 0.000 0.962 33 A CB 0.279 19.199 19.000 -0.133 0.000 1.189 33 A HN 0.457 nan 8.150 nan 0.000 0.552 34 G N -0.310 108.422 108.800 -0.115 0.000 2.887 34 G HA2 0.405 4.371 3.960 0.010 0.000 0.211 34 G HA3 0.405 4.371 3.960 0.010 0.000 0.211 34 G C 0.791 175.639 174.900 -0.087 0.000 1.152 34 G CA 0.708 45.753 45.100 -0.091 0.000 0.769 34 G HN 0.748 nan 8.290 nan 0.000 0.541 35 A N 0.966 123.713 122.820 -0.120 0.000 2.445 35 A HA 0.502 4.828 4.320 0.010 0.000 0.242 35 A C -0.652 176.874 177.584 -0.096 0.000 1.075 35 A CA -0.725 51.269 52.037 -0.072 0.000 0.777 35 A CB 0.712 19.677 19.000 -0.058 0.000 1.013 35 A HN 0.076 nan 8.150 nan 0.000 0.493 36 P HA -0.177 nan 4.420 nan 0.000 0.216 36 P C 1.533 178.880 177.300 0.077 0.000 1.153 36 P CA 1.908 65.036 63.100 0.048 0.000 0.858 36 P CB -0.143 31.615 31.700 0.096 0.000 0.789 37 W N -1.004 120.303 121.300 0.011 0.000 2.425 37 W HA -0.034 4.635 4.660 0.016 0.000 0.277 37 W C 1.144 177.669 176.519 0.011 0.000 1.231 37 W CA 0.429 57.780 57.345 0.011 0.000 1.248 37 W CB -1.640 27.830 29.460 0.018 0.000 1.117 37 W HN -0.232 nan 8.180 nan 0.000 0.568 38 V N 2.216 121.662 119.914 -0.781 0.000 2.358 38 V HA -0.283 3.843 4.120 0.010 0.000 0.246 38 V C 2.588 178.502 176.094 -0.299 0.000 1.047 38 V CA 2.731 64.580 62.300 -0.752 0.000 1.035 38 V CB -1.335 30.025 31.823 -0.772 0.000 0.658 38 V HN 0.176 nan 8.190 nan 0.000 0.452 39 T N 0.329 114.766 114.554 -0.195 0.000 2.746 39 T HA -0.159 4.197 4.350 0.010 0.000 0.267 39 T C 2.033 176.704 174.700 -0.048 0.000 1.039 39 T CA 1.653 63.693 62.100 -0.099 0.000 1.142 39 T CB -0.353 68.475 68.868 -0.066 0.000 0.866 39 T HN 0.571 nan 8.240 nan 0.000 0.444 40 A N 0.698 123.515 122.820 -0.005 0.000 1.898 40 A HA -0.014 4.312 4.320 0.010 0.000 0.216 40 A C 2.559 180.162 177.584 0.032 0.000 1.181 40 A CA 1.174 53.229 52.037 0.031 0.000 0.620 40 A CB -0.883 18.165 19.000 0.080 0.000 0.819 40 A HN 0.356 nan 8.150 nan 0.000 0.442 41 V N 0.207 120.149 119.914 0.047 0.000 2.307 41 V HA -0.250 3.876 4.120 0.010 0.000 0.245 41 V C 2.569 178.660 176.094 -0.006 0.000 1.045 41 V CA 1.936 64.263 62.300 0.045 0.000 1.024 41 V CB -0.778 31.103 31.823 0.095 0.000 0.651 41 V HN 0.577 nan 8.190 nan 0.000 0.449 42 L N 0.060 121.255 121.223 -0.045 0.000 2.079 42 L HA -0.240 4.106 4.340 0.010 0.000 0.210 42 L C 2.375 179.227 176.870 -0.030 0.000 1.081 42 L CA 2.045 56.858 54.840 -0.047 0.000 0.752 42 L CB -0.690 41.327 42.059 -0.071 0.000 0.896 42 L HN 0.401 nan 8.230 nan 0.000 0.433 43 D N -0.064 120.321 120.400 -0.025 0.000 2.144 43 D HA -0.156 4.489 4.640 0.010 0.000 0.199 43 D C 2.128 178.420 176.300 -0.012 0.000 0.984 43 D CA 1.295 55.285 54.000 -0.017 0.000 0.834 43 D CB 0.158 40.950 40.800 -0.013 0.000 0.955 43 D HN 0.259 nan 8.370 nan 0.000 0.465 44 A N -0.074 122.742 122.820 -0.007 0.000 1.968 44 A HA -0.017 4.309 4.320 0.010 0.000 0.217 44 A C 2.319 179.893 177.584 -0.017 0.000 1.169 44 A CA 0.696 52.728 52.037 -0.009 0.000 0.638 44 A CB -0.623 18.376 19.000 -0.003 0.000 0.812 44 A HN 0.351 nan 8.150 nan 0.000 0.446 45 L N -1.063 120.150 121.223 -0.017 0.000 2.275 45 L HA 0.160 4.506 4.340 0.010 0.000 0.215 45 L C 1.356 178.217 176.870 -0.014 0.000 1.119 45 L CA 0.483 55.311 54.840 -0.019 0.000 0.790 45 L CB -1.165 40.885 42.059 -0.015 0.000 0.919 45 L HN 0.612 nan 8.230 nan 0.000 0.443 46 G N -0.146 108.646 108.800 -0.013 0.000 2.730 46 G HA2 -0.153 3.812 3.960 0.010 0.000 0.686 46 G HA3 -0.153 3.812 3.960 0.010 0.000 0.686 46 G C -2.215 172.682 174.900 -0.006 0.000 1.343 46 G CA -0.342 44.752 45.100 -0.011 0.000 0.826 46 G HN 0.013 nan 8.290 nan 0.000 0.582 47 P HA 0.097 nan 4.420 nan 0.000 0.241 47 P C 0.696 178.000 177.300 0.007 0.000 1.191 47 P CA 1.064 64.163 63.100 -0.002 0.000 0.771 47 P CB 0.264 31.962 31.700 -0.004 0.000 0.929 48 D N -0.473 119.934 120.400 0.010 0.000 2.347 48 D HA -0.016 4.630 4.640 0.010 0.000 0.215 48 D C 0.352 176.677 176.300 0.042 0.000 0.976 48 D CA 0.686 54.699 54.000 0.022 0.000 0.884 48 D CB -0.579 40.231 40.800 0.017 0.000 0.915 48 D HN 0.065 nan 8.370 nan 0.000 0.526 49 T N 0.606 115.181 114.554 0.036 0.000 2.888 49 T HA 0.138 4.494 4.350 0.010 0.000 0.301 49 T C 0.391 175.125 174.700 0.056 0.000 1.001 49 T CA -0.280 61.851 62.100 0.051 0.000 1.147 49 T CB 1.360 70.241 68.868 0.022 0.000 0.931 49 T HN -0.250 nan 8.240 nan 0.000 0.541 50 V N 5.360 125.330 119.914 0.093 0.000 2.649 50 V HA 0.324 4.450 4.120 0.010 0.000 0.292 50 V C 0.631 176.735 176.094 0.018 0.000 1.055 50 V CA -0.278 62.073 62.300 0.086 0.000 1.023 50 V CB 0.916 32.855 31.823 0.192 0.000 0.992 50 V HN 0.725 nan 8.190 nan 0.000 0.480 51 R N 3.197 123.711 120.500 0.025 0.000 2.494 51 R HA 0.534 4.880 4.340 0.010 0.000 0.305 51 R C -1.381 174.954 176.300 0.058 0.000 0.959 51 R CA -0.496 55.608 56.100 0.007 0.000 0.864 51 R CB 2.074 32.361 30.300 -0.022 0.000 1.159 51 R HN 0.613 nan 8.270 nan 0.000 0.446 52 F N 2.148 122.013 119.950 -0.141 0.000 2.477 52 F HA 0.324 4.856 4.527 0.009 0.000 0.335 52 F C -0.504 175.176 175.800 -0.200 0.000 1.130 52 F CA -0.815 57.083 58.000 -0.169 0.000 0.948 52 F CB 1.516 40.391 39.000 -0.208 0.000 1.154 52 F HN 0.417 nan 8.300 nan 0.000 0.439 53 E N 4.915 124.658 120.200 -0.761 0.000 2.130 53 E HA 0.504 4.859 4.350 0.010 0.000 0.284 53 E C -0.741 175.107 176.600 -1.253 0.000 1.018 53 E CA -0.747 55.222 56.400 -0.719 0.000 0.817 53 E CB 1.333 30.796 29.700 -0.396 0.000 1.078 53 E HN 0.685 nan 8.360 nan 0.000 0.396 54 A N 4.521 126.690 122.820 -1.084 0.000 2.391 54 A HA 0.172 4.498 4.320 0.010 0.000 0.316 54 A C -0.014 177.250 177.584 -0.533 0.000 1.381 54 A CA -0.338 50.909 52.037 -1.317 0.000 0.998 54 A CB 0.017 18.256 19.000 -1.269 0.000 1.147 54 A HN 0.467 nan 8.150 nan 0.000 0.545 55 K N 2.675 122.958 120.400 -0.195 0.000 2.211 55 K HA 0.537 4.863 4.320 0.010 0.000 0.275 55 K C 1.022 177.874 176.600 0.420 0.000 1.024 55 K CA 0.947 57.303 56.287 0.115 0.000 0.887 55 K CB 0.736 33.274 32.500 0.062 0.000 1.084 55 K HN 1.356 nan 8.250 nan 0.000 0.463 56 G N 2.113 111.082 108.800 0.281 0.000 2.552 56 G HA2 -0.289 3.677 3.960 0.010 0.000 0.265 56 G HA3 -0.289 3.677 3.960 0.010 0.000 0.265 56 G C -0.502 174.613 174.900 0.359 0.000 1.234 56 G CA 0.146 45.393 45.100 0.245 0.000 0.944 56 G HN 0.855 nan 8.290 nan 0.000 0.568 57 T N -2.738 111.897 114.554 0.134 0.000 3.296 57 T HA 0.546 4.902 4.350 0.010 0.000 0.333 57 T C -1.178 173.295 174.700 -0.379 0.000 1.280 57 T CA 0.353 62.379 62.100 -0.123 0.000 1.558 57 T CB 1.531 70.486 68.868 0.145 0.000 0.929 57 T HN 0.789 nan 8.240 nan 0.000 0.596 58 D N 1.461 121.339 120.400 -0.869 0.000 2.346 58 D HA 0.266 4.912 4.640 0.010 0.000 0.255 58 D C 1.101 176.899 176.300 -0.836 0.000 1.276 58 D CA -0.708 52.935 54.000 -0.595 0.000 0.941 58 D CB 1.452 42.084 40.800 -0.280 0.000 1.199 58 D HN 0.425 nan 8.370 nan 0.000 0.537 59 R N 2.409 122.564 120.500 -0.575 0.000 2.096 59 R HA -0.206 4.140 4.340 0.010 0.000 0.240 59 R C 1.619 177.828 176.300 -0.152 0.000 1.139 59 R CA 2.165 58.050 56.100 -0.358 0.000 0.952 59 R CB 0.096 30.274 30.300 -0.203 0.000 0.854 59 R HN 0.369 nan 8.270 nan 0.000 0.436 60 A N 0.320 123.071 122.820 -0.115 0.000 1.929 60 A HA 0.012 4.338 4.320 0.010 0.000 0.216 60 A C 2.331 179.934 177.584 0.031 0.000 1.176 60 A CA 1.354 53.376 52.037 -0.025 0.000 0.628 60 A CB -0.641 18.345 19.000 -0.024 0.000 0.816 60 A HN 0.548 nan 8.150 nan 0.000 0.444 61 A N -0.906 121.929 122.820 0.024 0.000 1.902 61 A HA -0.145 4.181 4.320 0.010 0.000 0.217 61 A C 1.954 179.737 177.584 0.332 0.000 1.181 61 A CA 1.568 53.693 52.037 0.146 0.000 0.623 61 A CB -0.811 18.282 19.000 0.154 0.000 0.818 61 A HN 0.727 nan 8.150 nan 0.000 0.443 62 W N -0.387 120.988 121.300 0.124 0.000 2.381 62 W HA 0.066 4.732 4.660 0.009 0.000 0.301 62 W C 2.787 179.323 176.519 0.027 0.000 1.205 62 W CA 0.349 57.794 57.345 0.167 0.000 1.285 62 W CB -1.388 28.204 29.460 0.221 0.000 1.133 62 W HN 0.426 nan 8.180 nan 0.000 0.521 63 A N 0.838 123.797 122.820 0.232 0.000 1.917 63 A HA -0.108 4.218 4.320 0.010 0.000 0.219 63 A C 2.275 179.902 177.584 0.072 0.000 1.182 63 A CA 3.085 55.184 52.037 0.104 0.000 0.633 63 A CB -1.160 17.877 19.000 0.061 0.000 0.819 63 A HN 0.159 nan 8.150 nan 0.000 0.448 64 A N -1.018 121.859 122.820 0.095 0.000 1.898 64 A HA -0.184 4.142 4.320 0.010 0.000 0.216 64 A C 2.114 179.742 177.584 0.073 0.000 1.181 64 A CA 1.690 53.772 52.037 0.076 0.000 0.620 64 A CB -0.505 18.544 19.000 0.082 0.000 0.819 64 A HN 0.652 nan 8.150 nan 0.000 0.442 65 Q N -0.488 119.380 119.800 0.113 0.000 2.123 65 Q HA 0.030 4.376 4.340 0.010 0.000 0.199 65 Q C 2.004 177.968 176.000 -0.059 0.000 0.966 65 Q CA 1.160 57.019 55.803 0.095 0.000 0.845 65 Q CB -0.249 28.656 28.738 0.278 0.000 0.907 65 Q HN 0.665 nan 8.270 nan 0.000 0.439 66 L N -0.031 121.088 121.223 -0.174 0.000 2.056 66 L HA -0.133 4.213 4.340 0.010 0.000 0.207 66 L C 2.474 179.300 176.870 -0.073 0.000 1.078 66 L CA 0.866 55.560 54.840 -0.244 0.000 0.749 66 L CB -0.562 41.331 42.059 -0.276 0.000 0.901 66 L HN 0.217 nan 8.230 nan 0.000 0.433 67 A N -0.330 122.476 122.820 -0.024 0.000 1.902 67 A HA -0.293 4.033 4.320 0.010 0.000 0.217 67 A C 2.214 179.809 177.584 0.019 0.000 1.181 67 A CA 1.924 53.966 52.037 0.007 0.000 0.623 67 A CB -0.523 18.486 19.000 0.015 0.000 0.818 67 A HN 0.394 nan 8.150 nan 0.000 0.443 68 Q N -0.108 119.705 119.800 0.022 0.000 2.084 68 Q HA -0.070 4.276 4.340 0.010 0.000 0.202 68 Q C 1.847 177.874 176.000 0.044 0.000 0.978 68 Q CA 1.646 57.468 55.803 0.033 0.000 0.844 68 Q CB -0.467 28.296 28.738 0.042 0.000 0.898 68 Q HN 0.671 nan 8.270 nan 0.000 0.426 69 L N 0.026 121.280 121.223 0.051 0.000 2.056 69 L HA -0.176 4.169 4.340 0.010 0.000 0.207 69 L C 2.460 179.426 176.870 0.160 0.000 1.078 69 L CA 1.790 56.699 54.840 0.115 0.000 0.749 69 L CB -0.455 41.667 42.059 0.105 0.000 0.901 69 L HN 0.304 nan 8.230 nan 0.000 0.433 70 R N -0.149 120.435 120.500 0.140 0.000 2.189 70 R HA -0.148 4.198 4.340 0.010 0.000 0.223 70 R C 1.899 178.202 176.300 0.004 0.000 1.092 70 R CA 1.226 57.388 56.100 0.103 0.000 0.989 70 R CB -0.428 29.936 30.300 0.107 0.000 0.876 70 R HN 0.395 nan 8.270 nan 0.000 0.457 71 E N 1.042 121.252 120.200 0.017 0.000 2.021 71 E HA -0.148 4.207 4.350 0.010 0.000 0.189 71 E C 0.981 177.573 176.600 -0.014 0.000 0.980 71 E CA 1.206 57.605 56.400 -0.001 0.000 0.803 71 E CB 0.045 29.751 29.700 0.009 0.000 0.766 71 E HN 0.298 nan 8.360 nan 0.000 0.449 72 D N 0.596 120.995 120.400 -0.002 0.000 2.123 72 D HA -0.168 4.478 4.640 0.010 0.000 0.196 72 D C 1.734 178.008 176.300 -0.042 0.000 0.992 72 D CA 1.056 55.053 54.000 -0.007 0.000 0.833 72 D CB -0.070 40.742 40.800 0.019 0.000 0.954 72 D HN 0.190 nan 8.370 nan 0.000 0.455 73 E N -0.180 119.968 120.200 -0.087 0.000 2.364 73 E HA 0.207 4.563 4.350 0.010 0.000 0.196 73 E C 1.327 177.756 176.600 -0.285 0.000 0.990 73 E CA 0.571 56.843 56.400 -0.213 0.000 0.886 73 E CB 0.455 29.923 29.700 -0.386 0.000 0.866 73 E HN 0.227 nan 8.360 nan 0.000 0.493 74 G N 2.410 111.074 108.800 -0.226 0.000 2.750 74 G HA2 -0.295 3.671 3.960 0.010 0.000 0.228 74 G HA3 -0.295 3.671 3.960 0.010 0.000 0.228 74 G C -0.420 174.275 174.900 -0.341 0.000 1.367 74 G CA -0.036 44.942 45.100 -0.204 0.000 0.871 74 G HN 0.275 nan 8.290 nan 0.000 0.560 75 E N -0.613 119.462 120.200 -0.208 0.000 2.481 75 E HA 0.370 4.726 4.350 0.010 0.000 0.263 75 E C -0.342 176.103 176.600 -0.260 0.000 0.992 75 E CA 0.093 56.404 56.400 -0.149 0.000 0.938 75 E CB 0.360 30.032 29.700 -0.046 0.000 0.933 75 E HN 0.354 nan 8.360 nan 0.000 0.453 76 F N 0.626 120.588 119.950 0.020 0.000 2.408 76 F HA 0.113 4.646 4.527 0.010 0.000 0.325 76 F C 1.750 177.590 175.800 0.067 0.000 1.082 76 F CA -0.495 57.532 58.000 0.045 0.000 1.032 76 F CB 0.845 39.863 39.000 0.031 0.000 1.259 76 F HN 0.625 nan 8.300 nan 0.000 0.503 77 H N 0.576 119.766 119.070 0.200 0.000 2.415 77 H HA 0.413 4.975 4.556 0.009 0.000 0.297 77 H C -0.344 175.074 175.328 0.149 0.000 1.048 77 H CA 1.175 57.301 56.048 0.130 0.000 1.365 77 H CB 0.388 30.204 29.762 0.090 0.000 1.421 77 H HN 0.541 nan 8.280 nan 0.000 0.533 78 A N 0.220 123.155 122.820 0.192 0.000 2.608 78 A HA 0.468 4.794 4.320 0.010 0.000 0.292 78 A C -1.490 176.167 177.584 0.122 0.000 1.066 78 A CA -0.527 51.601 52.037 0.152 0.000 0.676 78 A CB 1.310 20.465 19.000 0.258 0.000 1.277 78 A HN 0.007 nan 8.150 nan 0.000 0.413 79 V N 1.014 120.979 119.914 0.085 0.000 2.398 79 V HA 0.537 4.663 4.120 0.010 0.000 0.286 79 V C -0.425 175.717 176.094 0.081 0.000 1.026 79 V CA -0.520 61.785 62.300 0.008 0.000 0.868 79 V CB 1.292 33.088 31.823 -0.044 0.000 0.982 79 V HN 0.675 nan 8.190 nan 0.000 0.443 80 V N 3.878 123.820 119.914 0.047 0.000 2.350 80 V HA 0.374 4.500 4.120 0.010 0.000 0.285 80 V C 0.303 176.433 176.094 0.060 0.000 1.014 80 V CA -0.229 62.119 62.300 0.080 0.000 0.831 80 V CB 1.627 33.474 31.823 0.039 0.000 1.000 80 V HN 0.870 nan 8.190 nan 0.000 0.433 81 S N 5.049 120.804 115.700 0.093 0.000 2.452 81 S HA 0.544 5.019 4.470 0.010 0.000 0.284 81 S C 0.366 175.040 174.600 0.123 0.000 1.171 81 S CA -0.516 57.737 58.200 0.089 0.000 1.064 81 S CB 0.565 63.829 63.200 0.107 0.000 0.967 81 S HN 0.650 nan 8.310 nan 0.000 0.484 82 L N 5.928 127.193 121.223 0.069 0.000 2.872 82 L HA 0.286 4.631 4.340 0.010 0.000 0.245 82 L C 1.265 178.176 176.870 0.068 0.000 1.211 82 L CA -0.000 54.875 54.840 0.059 0.000 1.013 82 L CB -0.074 41.898 42.059 -0.144 0.000 1.326 82 L HN 0.661 nan 8.230 nan 0.000 0.525 83 L N 0.107 121.388 121.223 0.097 0.000 2.191 83 L HA -0.148 4.198 4.340 0.010 0.000 0.212 83 L C 2.771 179.726 176.870 0.142 0.000 1.103 83 L CA 0.996 55.891 54.840 0.092 0.000 0.769 83 L CB -0.567 41.551 42.059 0.099 0.000 0.908 83 L HN 0.399 nan 8.230 nan 0.000 0.438 84 A N 0.427 123.385 122.820 0.230 0.000 2.076 84 A HA -0.153 4.173 4.320 0.010 0.000 0.220 84 A C 2.511 180.264 177.584 0.282 0.000 1.160 84 A CA 1.519 53.712 52.037 0.259 0.000 0.653 84 A CB -0.513 18.673 19.000 0.310 0.000 0.801 84 A HN 0.404 nan 8.150 nan 0.000 0.455 85 A N -0.392 122.628 122.820 0.334 0.000 2.125 85 A HA 0.355 4.681 4.320 0.010 0.000 0.219 85 A C 1.495 179.138 177.584 0.098 0.000 1.156 85 A CA 0.990 53.197 52.037 0.282 0.000 0.671 85 A CB -0.734 18.317 19.000 0.086 0.000 0.794 85 A HN 1.107 nan 8.150 nan 0.000 0.459 86 A N 0.452 123.261 122.820 -0.020 0.000 2.671 86 A HA 0.405 4.731 4.320 0.010 0.000 0.306 86 A C 0.660 178.107 177.584 -0.228 0.000 1.473 86 A CA -0.202 51.613 52.037 -0.369 0.000 1.155 86 A CB -0.327 18.483 19.000 -0.317 0.000 1.123 86 A HN 0.551 nan 8.150 nan 0.000 0.545 87 E N 2.022 122.117 120.200 -0.175 0.000 2.400 87 E HA 0.130 4.486 4.350 0.010 0.000 0.195 87 E C 1.016 177.578 176.600 -0.063 0.000 1.012 87 E CA 0.283 56.651 56.400 -0.053 0.000 0.875 87 E CB 0.235 29.947 29.700 0.020 0.000 0.859 87 E HN 0.819 nan 8.360 nan 0.000 0.498 88 A N 1.640 124.389 122.820 -0.119 0.000 2.561 88 A HA 0.055 4.380 4.320 0.010 0.000 0.234 88 A C 0.228 177.802 177.584 -0.016 0.000 1.055 88 A CA 0.047 52.067 52.037 -0.029 0.000 0.756 88 A CB -0.022 19.003 19.000 0.042 0.000 0.986 88 A HN 0.184 nan 8.150 nan 0.000 0.505 89 L N 2.028 123.265 121.223 0.023 0.000 2.485 89 L HA 0.071 4.417 4.340 0.010 0.000 0.275 89 L C 0.991 177.914 176.870 0.088 0.000 1.207 89 L CA -0.097 54.776 54.840 0.055 0.000 0.855 89 L CB 0.193 42.283 42.059 0.051 0.000 1.114 89 L HN 0.877 nan 8.230 nan 0.000 0.485 90 H N 0.966 120.067 119.070 0.051 0.000 2.928 90 H HA -0.094 4.468 4.556 0.009 0.000 0.338 90 H C 1.228 176.582 175.328 0.043 0.000 1.047 90 H CA 0.689 56.783 56.048 0.076 0.000 1.435 90 H CB 1.126 30.974 29.762 0.143 0.000 1.428 90 H HN 0.694 nan 8.280 nan 0.000 0.590 91 T N 1.873 116.441 114.554 0.024 0.000 2.915 91 T HA -0.119 4.236 4.350 0.010 0.000 0.269 91 T C 0.942 175.709 174.700 0.112 0.000 1.071 91 T CA 1.802 63.938 62.100 0.060 0.000 1.132 91 T CB -0.018 68.836 68.868 -0.024 0.000 0.878 91 T HN 0.693 nan 8.240 nan 0.000 0.479 92 D N -0.268 120.294 120.400 0.270 0.000 2.407 92 D HA 0.109 4.755 4.640 0.010 0.000 0.208 92 D C -0.098 175.874 176.300 -0.547 0.000 1.083 92 D CA 0.209 54.092 54.000 -0.196 0.000 0.844 92 D CB 0.236 40.803 40.800 -0.388 0.000 0.967 92 D HN 0.520 nan 8.370 nan 0.000 0.506 93 H N -0.266 118.843 119.070 0.065 0.000 2.917 93 H HA 0.298 4.860 4.556 0.010 0.000 0.279 93 H C 1.131 176.475 175.328 0.027 0.000 1.211 93 H CA -0.354 55.668 56.048 -0.042 0.000 1.534 93 H CB 1.121 30.756 29.762 -0.212 0.000 1.581 93 H HN -0.053 nan 8.280 nan 0.000 0.510 94 G N 1.101 109.953 108.800 0.087 0.000 2.679 94 G HA2 -0.134 3.832 3.960 0.010 0.000 0.212 94 G HA3 -0.134 3.832 3.960 0.010 0.000 0.212 94 G C 0.840 175.763 174.900 0.039 0.000 1.137 94 G CA 0.233 45.372 45.100 0.066 0.000 0.787 94 G HN 0.353 nan 8.290 nan 0.000 0.534 95 S N -0.565 115.153 115.700 0.030 0.000 2.568 95 S HA 0.306 4.782 4.470 0.010 0.000 0.232 95 S C 0.006 174.590 174.600 -0.027 0.000 0.975 95 S CA -0.307 57.879 58.200 -0.024 0.000 0.949 95 S CB 1.052 64.230 63.200 -0.036 0.000 0.829 95 S HN 0.037 nan 8.310 nan 0.000 0.479 96 V N 3.783 123.714 119.914 0.029 0.000 2.378 96 V HA 0.361 4.487 4.120 0.010 0.000 0.288 96 V C -2.719 173.417 176.094 0.069 0.000 1.016 96 V CA -2.389 59.929 62.300 0.031 0.000 0.840 96 V CB 1.270 33.111 31.823 0.030 0.000 0.994 96 V HN 0.022 nan 8.190 nan 0.000 0.431 97 P HA 0.041 nan 4.420 nan 0.000 0.265 97 P C 0.786 178.132 177.300 0.078 0.000 1.193 97 P CA -0.104 63.020 63.100 0.041 0.000 0.765 97 P CB 0.767 32.485 31.700 0.029 0.000 0.823 98 L N 4.744 126.003 121.223 0.059 0.000 2.081 98 L HA -0.125 4.221 4.340 0.010 0.000 0.212 98 L C 2.129 179.057 176.870 0.097 0.000 1.080 98 L CA 2.584 57.477 54.840 0.089 0.000 0.754 98 L CB -1.404 40.644 42.059 -0.017 0.000 0.893 98 L HN 0.509 nan 8.230 nan 0.000 0.433 99 G N -0.870 107.958 108.800 0.046 0.000 2.443 99 G HA2 -0.239 3.727 3.960 0.010 0.000 0.219 99 G HA3 -0.239 3.727 3.960 0.010 0.000 0.219 99 G C 1.538 176.512 174.900 0.123 0.000 1.131 99 G CA 0.820 45.971 45.100 0.086 0.000 0.775 99 G HN 0.422 nan 8.290 nan 0.000 0.547 100 L N 1.101 122.389 121.223 0.109 0.000 2.044 100 L HA 0.280 4.626 4.340 0.010 0.000 0.205 100 L C 3.043 179.976 176.870 0.104 0.000 1.075 100 L CA 2.039 56.941 54.840 0.103 0.000 0.747 100 L CB -0.610 41.497 42.059 0.079 0.000 0.903 100 L HN 0.186 nan 8.230 nan 0.000 0.435 101 A N -0.961 121.927 122.820 0.113 0.000 1.883 101 A HA -0.266 4.059 4.320 0.010 0.000 0.217 101 A C 2.201 179.886 177.584 0.169 0.000 1.186 101 A CA 1.951 54.052 52.037 0.106 0.000 0.624 101 A CB -0.660 18.442 19.000 0.169 0.000 0.822 101 A HN 0.662 nan 8.150 nan 0.000 0.444 102 Q N -1.080 118.871 119.800 0.252 0.000 2.167 102 Q HA -0.115 4.231 4.340 0.010 0.000 0.202 102 Q C 2.118 178.335 176.000 0.363 0.000 0.970 102 Q CA 1.766 57.819 55.803 0.418 0.000 0.855 102 Q CB -0.337 28.631 28.738 0.384 0.000 0.911 102 Q HN 0.679 nan 8.270 nan 0.000 0.438 103 T N 1.464 116.156 114.554 0.230 0.000 2.777 103 T HA -0.117 4.239 4.350 0.010 0.000 0.266 103 T C 1.774 176.579 174.700 0.176 0.000 1.040 103 T CA 0.790 63.009 62.100 0.199 0.000 1.141 103 T CB -0.209 68.757 68.868 0.163 0.000 0.868 103 T HN 0.141 nan 8.240 nan 0.000 0.444 104 L N 0.821 122.123 121.223 0.131 0.000 2.012 104 L HA -0.052 4.294 4.340 0.010 0.000 0.210 104 L C 1.975 178.901 176.870 0.093 0.000 1.073 104 L CA 1.699 56.586 54.840 0.077 0.000 0.748 104 L CB -0.605 41.472 42.059 0.030 0.000 0.891 104 L HN 0.125 nan 8.230 nan 0.000 0.431 105 L N -1.244 120.056 121.223 0.128 0.000 2.217 105 L HA -0.102 4.244 4.340 0.010 0.000 0.211 105 L C 2.199 179.244 176.870 0.292 0.000 1.107 105 L CA 1.212 56.098 54.840 0.077 0.000 0.783 105 L CB -0.960 40.984 42.059 -0.192 0.000 0.919 105 L HN 0.349 nan 8.230 nan 0.000 0.442 106 L N -0.292 121.206 121.223 0.458 0.000 2.027 106 L HA -0.082 4.264 4.340 0.010 0.000 0.206 106 L C 2.528 179.514 176.870 0.193 0.000 1.074 106 L CA 1.969 57.045 54.840 0.393 0.000 0.745 106 L CB -0.905 41.322 42.059 0.280 0.000 0.898 106 L HN 0.160 nan 8.230 nan 0.000 0.433 107 A N -1.004 121.897 122.820 0.135 0.000 1.908 107 A HA -0.275 4.050 4.320 0.010 0.000 0.218 107 A C 2.200 179.769 177.584 -0.025 0.000 1.181 107 A CA 1.976 54.040 52.037 0.045 0.000 0.627 107 A CB -0.619 18.401 19.000 0.034 0.000 0.818 107 A HN 0.682 nan 8.150 nan 0.000 0.445 108 Q N -0.863 118.942 119.800 0.010 0.000 2.050 108 Q HA -0.085 4.261 4.340 0.010 0.000 0.202 108 Q C 2.401 178.401 176.000 0.001 0.000 0.980 108 Q CA 1.503 57.295 55.803 -0.018 0.000 0.840 108 Q CB -0.345 28.388 28.738 -0.008 0.000 0.898 108 Q HN 0.684 nan 8.270 nan 0.000 0.424 109 A N 0.405 123.267 122.820 0.070 0.000 2.014 109 A HA -0.061 4.265 4.320 0.010 0.000 0.218 109 A C 2.010 179.622 177.584 0.045 0.000 1.163 109 A CA 0.644 52.735 52.037 0.091 0.000 0.652 109 A CB -0.412 18.730 19.000 0.237 0.000 0.808 109 A HN 0.245 nan 8.150 nan 0.000 0.449 110 L N -0.690 120.548 121.223 0.024 0.000 2.017 110 L HA -0.119 4.227 4.340 0.010 0.000 0.208 110 L C 2.861 179.710 176.870 -0.034 0.000 1.073 110 L CA 1.201 56.032 54.840 -0.016 0.000 0.745 110 L CB -0.819 41.230 42.059 -0.018 0.000 0.894 110 L HN 0.471 nan 8.230 nan 0.000 0.432 111 G N -0.370 108.387 108.800 -0.072 0.000 2.446 111 G HA2 -0.274 3.692 3.960 0.010 0.000 0.217 111 G HA3 -0.274 3.692 3.960 0.010 0.000 0.217 111 G C 1.125 176.003 174.900 -0.037 0.000 1.168 111 G CA 0.957 46.005 45.100 -0.087 0.000 0.771 111 G HN 0.294 nan 8.290 nan 0.000 0.551 112 D N 1.091 121.478 120.400 -0.022 0.000 2.116 112 D HA -0.080 4.566 4.640 0.010 0.000 0.193 112 D C 2.701 179.002 176.300 0.002 0.000 0.998 112 D CA 1.466 55.464 54.000 -0.004 0.000 0.836 112 D CB -0.448 40.355 40.800 0.006 0.000 0.951 112 D HN 0.337 nan 8.370 nan 0.000 0.449 113 A N -0.478 122.343 122.820 0.002 0.000 2.206 113 A HA 0.364 4.689 4.320 0.010 0.000 0.211 113 A C 1.764 179.351 177.584 0.005 0.000 1.158 113 A CA 1.197 53.236 52.037 0.004 0.000 0.761 113 A CB -0.263 18.734 19.000 -0.004 0.000 0.801 113 A HN 0.290 nan 8.150 nan 0.000 0.473 114 G N -1.516 107.286 108.800 0.002 0.000 2.147 114 G HA2 -0.201 3.765 3.960 0.010 0.000 0.244 114 G HA3 -0.201 3.765 3.960 0.010 0.000 0.244 114 G C -0.082 174.829 174.900 0.018 0.000 1.005 114 G CA 0.291 45.395 45.100 0.008 0.000 0.713 114 G HN 0.411 nan 8.290 nan 0.000 0.515 115 L N 1.541 122.774 121.223 0.017 0.000 2.325 115 L HA 0.485 4.831 4.340 0.010 0.000 0.284 115 L C 1.861 178.751 176.870 0.034 0.000 1.089 115 L CA 0.908 55.774 54.840 0.044 0.000 0.836 115 L CB 1.314 43.394 42.059 0.034 0.000 1.184 115 L HN 0.355 nan 8.230 nan 0.000 0.444 116 T N -0.414 114.165 114.554 0.043 0.000 3.044 116 T HA 0.316 4.672 4.350 0.010 0.000 0.250 116 T C 0.854 175.571 174.700 0.027 0.000 1.081 116 T CA 0.145 62.261 62.100 0.028 0.000 1.040 116 T CB 0.175 69.057 68.868 0.023 0.000 0.962 116 T HN 0.494 nan 8.240 nan 0.000 0.506 117 A N 3.051 125.901 122.820 0.049 0.000 2.483 117 A HA 0.484 4.810 4.320 0.010 0.000 0.238 117 A C -2.387 175.196 177.584 -0.001 0.000 1.070 117 A CA -1.152 50.907 52.037 0.036 0.000 0.770 117 A CB -0.335 18.732 19.000 0.111 0.000 1.008 117 A HN 0.243 nan 8.150 nan 0.000 0.497 118 P HA 0.199 nan 4.420 nan 0.000 0.268 118 P C -0.603 176.615 177.300 -0.136 0.000 1.204 118 P CA -0.104 62.923 63.100 -0.121 0.000 0.768 118 P CB 0.436 32.034 31.700 -0.170 0.000 0.842 119 L N 5.226 126.305 121.223 -0.239 0.000 2.292 119 L HA 0.474 4.820 4.340 0.010 0.000 0.284 119 L C -1.373 175.086 176.870 -0.685 0.000 1.065 119 L CA -0.217 54.490 54.840 -0.223 0.000 0.806 119 L CB 0.062 42.120 42.059 -0.003 0.000 1.175 119 L HN 0.311 nan 8.230 nan 0.000 0.431 120 W N 4.678 125.771 121.300 -0.346 0.000 2.532 120 W HA 0.527 5.192 4.660 0.007 0.000 0.321 120 W C -0.746 175.627 176.519 -0.242 0.000 1.037 120 W CA -0.377 56.724 57.345 -0.408 0.000 1.220 120 W CB 1.734 31.046 29.460 -0.246 0.000 1.361 120 W HN 0.442 nan 8.180 nan 0.000 0.468 121 C N 5.230 124.502 119.300 -0.045 0.000 2.264 121 C HA 0.540 5.006 4.460 0.010 0.000 0.324 121 C C 0.317 175.355 174.990 0.080 0.000 1.267 121 C CA -0.769 58.287 59.018 0.063 0.000 1.618 121 C CB -0.883 26.913 27.740 0.093 0.000 2.278 121 C HN 0.445 nan 8.230 nan 0.000 0.499 122 L N 4.113 125.445 121.223 0.181 0.000 2.325 122 L HA 0.659 5.005 4.340 0.010 0.000 0.279 122 L C 0.699 177.687 176.870 0.197 0.000 1.054 122 L CA 0.192 55.160 54.840 0.212 0.000 0.804 122 L CB 1.575 43.846 42.059 0.353 0.000 1.200 122 L HN 0.777 nan 8.230 nan 0.000 0.436 123 T N -0.493 114.090 114.554 0.048 0.000 2.907 123 T HA 0.563 4.918 4.350 0.010 0.000 0.290 123 T C -0.493 173.860 174.700 -0.579 0.000 1.066 123 T CA -0.998 61.043 62.100 -0.099 0.000 1.012 123 T CB 2.576 71.615 68.868 0.284 0.000 1.184 123 T HN 0.416 nan 8.240 nan 0.000 0.522 124 R N 0.179 120.250 120.500 -0.714 0.000 2.467 124 R HA 0.509 4.855 4.340 0.010 0.000 0.299 124 R C 0.614 176.690 176.300 -0.375 0.000 1.120 124 R CA 0.288 55.910 56.100 -0.798 0.000 0.940 124 R CB 0.571 29.864 30.300 -1.679 0.000 1.161 124 R HN 1.448 nan 8.270 nan 0.000 0.506 125 G N 2.051 110.689 108.800 -0.270 0.000 2.137 125 G HA2 -0.248 3.718 3.960 0.010 0.000 0.237 125 G HA3 -0.248 3.718 3.960 0.010 0.000 0.237 125 G C 0.583 175.377 174.900 -0.177 0.000 1.002 125 G CA 0.250 45.232 45.100 -0.197 0.000 0.702 125 G HN 0.722 nan 8.290 nan 0.000 0.515 126 G N -1.176 107.518 108.800 -0.176 0.000 3.088 126 G HA2 0.544 4.510 3.960 0.010 0.000 0.217 126 G HA3 0.544 4.510 3.960 0.010 0.000 0.217 126 G C 0.648 175.297 174.900 -0.418 0.000 1.159 126 G CA 1.294 46.290 45.100 -0.173 0.000 0.760 126 G HN 1.749 nan 8.290 nan 0.000 0.550 127 V N -3.748 115.867 119.914 -0.497 0.000 3.078 127 V HA 0.879 5.005 4.120 0.010 0.000 0.311 127 V C -0.689 175.117 176.094 -0.481 0.000 1.138 127 V CA -1.340 60.611 62.300 -0.581 0.000 1.007 127 V CB 1.648 32.951 31.823 -0.868 0.000 1.045 127 V HN 0.289 nan 8.190 nan 0.000 0.432 128 A N 2.086 124.658 122.820 -0.414 0.000 2.322 128 A HA 0.935 5.261 4.320 0.010 0.000 0.327 128 A C 0.157 177.375 177.584 -0.609 0.000 1.394 128 A CA 0.073 51.886 52.037 -0.373 0.000 0.921 128 A CB 0.021 18.902 19.000 -0.197 0.000 1.153 128 A HN 2.208 nan 8.150 nan 0.000 0.523 129 A N 2.343 124.682 122.820 -0.801 0.000 2.357 129 A HA 0.878 5.203 4.320 0.010 0.000 0.295 129 A C 0.319 177.615 177.584 -0.479 0.000 1.121 129 A CA 0.076 51.449 52.037 -1.107 0.000 0.742 129 A CB 0.537 18.495 19.000 -1.736 0.000 1.181 129 A HN 2.712 nan 8.150 nan 0.000 0.454 130 G N 1.676 110.323 108.800 -0.254 0.000 2.663 130 G HA2 0.146 4.112 3.960 0.010 0.000 0.686 130 G HA3 0.146 4.112 3.960 0.010 0.000 0.686 130 G C -0.199 174.642 174.900 -0.098 0.000 1.246 130 G CA -0.405 44.624 45.100 -0.119 0.000 0.795 130 G HN 1.730 nan 8.290 nan 0.000 0.627 131 R N 0.759 121.226 120.500 -0.055 0.000 2.489 131 R HA 0.475 4.821 4.340 0.010 0.000 0.287 131 R C 1.316 177.581 176.300 -0.058 0.000 1.053 131 R CA 1.025 57.098 56.100 -0.045 0.000 1.036 131 R CB 0.447 30.733 30.300 -0.024 0.000 0.966 131 R HN 2.672 nan 8.270 nan 0.000 0.432 132 G N 2.417 111.182 108.800 -0.058 0.000 2.184 132 G HA2 -0.324 3.642 3.960 0.010 0.000 0.264 132 G HA3 -0.324 3.642 3.960 0.010 0.000 0.264 132 G C -0.078 174.772 174.900 -0.083 0.000 0.975 132 G CA 0.528 45.591 45.100 -0.062 0.000 0.642 132 G HN 0.830 nan 8.290 nan 0.000 0.536 133 D N -0.181 120.153 120.400 -0.110 0.000 2.399 133 D HA 0.435 5.081 4.640 0.010 0.000 0.241 133 D C 0.405 176.625 176.300 -0.133 0.000 1.133 133 D CA 0.095 54.010 54.000 -0.142 0.000 0.890 133 D CB 1.173 41.845 40.800 -0.212 0.000 1.201 133 D HN 0.188 nan 8.370 nan 0.000 0.432 134 V N 4.695 124.534 119.914 -0.125 0.000 2.384 134 V HA 0.202 4.328 4.120 0.010 0.000 0.287 134 V C 0.129 176.158 176.094 -0.108 0.000 1.020 134 V CA -0.858 61.380 62.300 -0.104 0.000 0.850 134 V CB 1.446 33.223 31.823 -0.077 0.000 0.987 134 V HN 0.501 nan 8.190 nan 0.000 0.436 135 L N 5.275 126.440 121.223 -0.096 0.000 2.363 135 L HA 0.186 4.532 4.340 0.010 0.000 0.286 135 L C 1.527 178.421 176.870 0.040 0.000 1.106 135 L CA 0.080 54.868 54.840 -0.087 0.000 0.859 135 L CB 1.120 43.113 42.059 -0.109 0.000 1.223 135 L HN 0.897 nan 8.230 nan 0.000 0.446 136 S N 0.825 116.523 115.700 -0.003 0.000 2.501 136 S HA 0.009 4.485 4.470 0.010 0.000 0.220 136 S C 0.859 175.402 174.600 -0.095 0.000 0.997 136 S CA 0.134 58.360 58.200 0.043 0.000 0.919 136 S CB 0.198 63.398 63.200 -0.000 0.000 0.778 136 S HN 0.542 nan 8.310 nan 0.000 0.523 137 S N 2.380 118.001 115.700 -0.131 0.000 2.539 137 S HA 0.487 4.963 4.470 0.010 0.000 0.235 137 S C -2.331 172.188 174.600 -0.135 0.000 1.326 137 S CA -1.545 56.572 58.200 -0.138 0.000 1.183 137 S CB 1.182 64.350 63.200 -0.052 0.000 1.073 137 S HN 0.035 nan 8.310 nan 0.000 0.480 138 P HA -0.078 nan 4.420 nan 0.000 0.219 138 P C 1.578 178.907 177.300 0.049 0.000 1.146 138 P CA 0.685 63.661 63.100 -0.207 0.000 0.808 138 P CB 0.069 31.494 31.700 -0.458 0.000 0.779 139 V N 0.230 120.241 119.914 0.161 0.000 2.332 139 V HA -0.266 3.860 4.120 0.010 0.000 0.248 139 V C 2.583 178.779 176.094 0.170 0.000 1.055 139 V CA 1.885 64.313 62.300 0.214 0.000 1.038 139 V CB -1.241 30.651 31.823 0.115 0.000 0.651 139 V HN 0.195 nan 8.190 nan 0.000 0.450 140 Q N -0.320 119.556 119.800 0.127 0.000 2.230 140 Q HA -0.072 4.273 4.340 0.010 0.000 0.202 140 Q C 2.328 178.476 176.000 0.246 0.000 0.963 140 Q CA 1.229 57.136 55.803 0.172 0.000 0.866 140 Q CB -0.397 28.423 28.738 0.136 0.000 0.931 140 Q HN 0.730 nan 8.270 nan 0.000 0.452 141 G N 0.817 109.701 108.800 0.141 0.000 2.448 141 G HA2 -0.203 3.763 3.960 0.010 0.000 0.219 141 G HA3 -0.203 3.763 3.960 0.010 0.000 0.219 141 G C 1.449 176.478 174.900 0.215 0.000 1.127 141 G CA 0.746 45.904 45.100 0.096 0.000 0.766 141 G HN 0.399 nan 8.290 nan 0.000 0.552 142 A N 0.271 123.229 122.820 0.229 0.000 2.015 142 A HA 0.134 4.460 4.320 0.010 0.000 0.219 142 A C 2.273 179.992 177.584 0.225 0.000 1.163 142 A CA 1.206 53.377 52.037 0.224 0.000 0.646 142 A CB -0.280 18.851 19.000 0.217 0.000 0.806 142 A HN 0.380 nan 8.150 nan 0.000 0.448 143 L N -1.913 119.470 121.223 0.267 0.000 2.201 143 L HA -0.087 4.259 4.340 0.010 0.000 0.212 143 L C 2.051 179.056 176.870 0.224 0.000 1.105 143 L CA 1.146 56.119 54.840 0.222 0.000 0.775 143 L CB -0.273 41.916 42.059 0.216 0.000 0.913 143 L HN 0.600 nan 8.230 nan 0.000 0.440 144 W N -0.457 120.916 121.300 0.123 0.000 2.363 144 W HA -0.023 4.651 4.660 0.023 0.000 0.296 144 W C 2.469 179.042 176.519 0.089 0.000 1.212 144 W CA 1.193 58.621 57.345 0.138 0.000 1.260 144 W CB -1.180 28.370 29.460 0.149 0.000 1.131 144 W HN 0.181 nan 8.180 nan 0.000 0.530 145 G N 0.379 109.338 108.800 0.264 0.000 2.421 145 G HA2 -0.255 3.710 3.960 0.010 0.000 0.216 145 G HA3 -0.255 3.710 3.960 0.010 0.000 0.216 145 G C 1.480 176.413 174.900 0.054 0.000 1.171 145 G CA 1.137 46.313 45.100 0.126 0.000 0.775 145 G HN 0.214 nan 8.290 nan 0.000 0.543 146 L N 1.645 122.893 121.223 0.040 0.000 2.042 146 L HA 0.089 4.435 4.340 0.010 0.000 0.210 146 L C 2.738 179.518 176.870 -0.150 0.000 1.076 146 L CA 2.586 57.407 54.840 -0.032 0.000 0.749 146 L CB -0.992 41.068 42.059 0.002 0.000 0.893 146 L HN 0.163 nan 8.230 nan 0.000 0.432 147 G N -0.942 107.781 108.800 -0.128 0.000 2.418 147 G HA2 -0.247 3.719 3.960 0.010 0.000 0.217 147 G HA3 -0.247 3.719 3.960 0.010 0.000 0.217 147 G C 1.742 176.290 174.900 -0.586 0.000 1.158 147 G CA 0.733 45.598 45.100 -0.392 0.000 0.771 147 G HN 0.413 nan 8.290 nan 0.000 0.545 148 R N -0.339 120.053 120.500 -0.179 0.000 2.096 148 R HA -0.022 4.324 4.340 0.010 0.000 0.235 148 R C 2.580 178.732 176.300 -0.248 0.000 1.127 148 R CA 1.073 57.102 56.100 -0.119 0.000 0.968 148 R CB -0.356 30.001 30.300 0.096 0.000 0.861 148 R HN 0.322 nan 8.270 nan 0.000 0.440 149 V N 1.100 120.878 119.914 -0.227 0.000 2.548 149 V HA -0.164 3.962 4.120 0.010 0.000 0.249 149 V C 2.124 178.014 176.094 -0.340 0.000 1.055 149 V CA 1.363 63.538 62.300 -0.208 0.000 1.065 149 V CB -0.304 31.453 31.823 -0.110 0.000 0.681 149 V HN 0.273 nan 8.190 nan 0.000 0.462 150 I N 1.089 121.343 120.570 -0.527 0.000 2.264 150 I HA -0.182 3.994 4.170 0.010 0.000 0.248 150 I C 2.490 178.171 176.117 -0.726 0.000 1.111 150 I CA 1.761 62.700 61.300 -0.602 0.000 1.382 150 I CB -0.788 36.708 38.000 -0.839 0.000 1.060 150 I HN 0.415 nan 8.210 nan 0.000 0.418 151 G N 0.684 108.834 108.800 -1.083 0.000 2.448 151 G HA2 -0.073 3.893 3.960 0.010 0.000 0.218 151 G HA3 -0.073 3.893 3.960 0.010 0.000 0.218 151 G C 1.690 176.386 174.900 -0.339 0.000 1.135 151 G CA 0.178 44.829 45.100 -0.749 0.000 0.784 151 G HN 0.260 nan 8.290 nan 0.000 0.543 152 L N -0.241 120.774 121.223 -0.345 0.000 2.131 152 L HA 0.086 4.432 4.340 0.010 0.000 0.206 152 L C 2.740 179.443 176.870 -0.278 0.000 1.087 152 L CA 0.924 55.582 54.840 -0.303 0.000 0.767 152 L CB -0.166 41.728 42.059 -0.274 0.000 0.917 152 L HN 0.229 nan 8.230 nan 0.000 0.441 153 E N -1.280 118.729 120.200 -0.318 0.000 2.190 153 E HA -0.012 4.344 4.350 0.010 0.000 0.191 153 E C 0.352 176.550 176.600 -0.669 0.000 0.978 153 E CA 0.534 56.661 56.400 -0.455 0.000 0.839 153 E CB 0.372 29.789 29.700 -0.472 0.000 0.787 153 E HN 0.472 nan 8.360 nan 0.000 0.473 154 H N -0.079 118.915 119.070 -0.125 0.000 2.471 154 H HA 0.148 4.709 4.556 0.009 0.000 0.234 154 H C -1.875 173.439 175.328 -0.024 0.000 1.388 154 H CA -1.531 54.480 56.048 -0.062 0.000 1.198 154 H CB 0.716 30.454 29.762 -0.040 0.000 1.714 154 H HN 0.132 nan 8.280 nan 0.000 0.536 155 P HA -0.136 nan 4.420 nan 0.000 0.219 155 P C 0.833 178.173 177.300 0.068 0.000 1.146 155 P CA 1.085 64.203 63.100 0.030 0.000 0.808 155 P CB 0.567 32.244 31.700 -0.038 0.000 0.779 156 D N 0.012 120.447 120.400 0.058 0.000 2.317 156 D HA -0.065 4.580 4.640 0.010 0.000 0.211 156 D C 1.634 177.961 176.300 0.044 0.000 0.966 156 D CA 0.743 54.768 54.000 0.042 0.000 0.876 156 D CB 0.011 40.829 40.800 0.030 0.000 0.927 156 D HN 0.475 nan 8.370 nan 0.000 0.519 157 R N -0.661 119.889 120.500 0.083 0.000 2.629 157 R HA 0.133 4.479 4.340 0.010 0.000 0.386 157 R C 0.032 176.393 176.300 0.101 0.000 1.071 157 R CA -0.543 55.592 56.100 0.059 0.000 1.104 157 R CB -0.267 30.059 30.300 0.044 0.000 1.370 157 R HN 0.007 nan 8.270 nan 0.000 0.574 158 W N 1.363 122.578 121.300 -0.141 0.000 2.349 158 W HA 0.399 5.064 4.660 0.007 0.000 0.309 158 W C -0.276 175.989 176.519 -0.423 0.000 1.083 158 W CA -0.450 56.746 57.345 -0.249 0.000 1.224 158 W CB 1.834 31.182 29.460 -0.187 0.000 1.256 158 W HN 0.225 nan 8.180 nan 0.000 0.461 159 G N 3.089 111.044 108.800 -1.408 0.000 2.518 159 G HA2 0.392 4.358 3.960 0.010 0.000 0.213 159 G HA3 0.392 4.358 3.960 0.010 0.000 0.213 159 G C 0.315 173.589 174.900 -2.711 0.000 1.226 159 G CA 0.880 44.697 45.100 -2.138 0.000 0.822 159 G HN 0.833 nan 8.290 nan 0.000 0.546 160 G N -1.682 105.320 108.800 -2.997 0.000 2.343 160 G HA2 0.370 4.336 3.960 0.010 0.000 0.289 160 G HA3 0.370 4.336 3.960 0.010 0.000 0.289 160 G C -1.977 172.414 174.900 -0.850 0.000 1.295 160 G CA -0.876 43.220 45.100 -1.674 0.000 0.869 160 G HN 0.473 nan 8.290 nan 0.000 0.522 161 L N 0.203 121.252 121.223 -0.291 0.000 2.346 161 L HA 0.774 5.120 4.340 0.010 0.000 0.276 161 L C -0.368 176.482 176.870 -0.034 0.000 1.006 161 L CA -0.732 53.874 54.840 -0.389 0.000 0.817 161 L CB 1.974 43.254 42.059 -1.299 0.000 1.272 161 L HN 0.462 nan 8.230 nan 0.000 0.421 162 I N 1.686 122.319 120.570 0.106 0.000 2.468 162 I HA 0.243 4.419 4.170 0.010 0.000 0.285 162 I C -1.057 175.241 176.117 0.302 0.000 1.039 162 I CA -0.480 60.980 61.300 0.266 0.000 1.074 162 I CB 2.140 40.226 38.000 0.143 0.000 1.228 162 I HN 0.503 nan 8.210 nan 0.000 0.436 163 D N 6.243 126.893 120.400 0.416 0.000 2.264 163 D HA 0.507 5.153 4.640 0.010 0.000 0.250 163 D C -0.714 175.589 176.300 0.004 0.000 1.113 163 D CA -0.017 54.103 54.000 0.199 0.000 0.871 163 D CB 1.151 42.017 40.800 0.110 0.000 1.167 163 D HN 0.320 nan 8.370 nan 0.000 0.447 164 L N 5.194 126.343 121.223 -0.123 0.000 2.360 164 L HA 0.521 4.867 4.340 0.010 0.000 0.271 164 L C -1.789 174.984 176.870 -0.162 0.000 1.057 164 L CA -1.812 52.954 54.840 -0.123 0.000 0.803 164 L CB 1.521 43.494 42.059 -0.144 0.000 1.207 164 L HN 0.421 nan 8.230 nan 0.000 0.445 165 P HA 0.028 nan 4.420 nan 0.000 0.277 165 P C -0.219 177.035 177.300 -0.077 0.000 1.271 165 P CA -0.324 62.720 63.100 -0.094 0.000 0.795 165 P CB 0.586 32.249 31.700 -0.060 0.000 1.101 166 E N -0.186 119.979 120.200 -0.059 0.000 2.216 166 E HA -0.034 4.322 4.350 0.010 0.000 0.192 166 E C -0.380 176.239 176.600 0.032 0.000 0.988 166 E CA 1.084 57.472 56.400 -0.020 0.000 0.834 166 E CB -0.600 29.093 29.700 -0.011 0.000 0.772 166 E HN 0.273 nan 8.360 nan 0.000 0.479 167 T N 1.907 116.471 114.554 0.016 0.000 2.788 167 T HA 0.390 4.746 4.350 0.010 0.000 0.296 167 T C -0.592 174.127 174.700 0.032 0.000 1.009 167 T CA -0.529 61.590 62.100 0.032 0.000 0.949 167 T CB 1.868 70.747 68.868 0.020 0.000 0.946 167 T HN -0.113 nan 8.240 nan 0.000 0.453 168 V N 5.867 125.816 119.914 0.058 0.000 2.284 168 V HA 0.197 4.322 4.120 0.010 0.000 0.260 168 V C 0.422 176.538 176.094 0.037 0.000 1.084 168 V CA -0.907 61.425 62.300 0.055 0.000 0.894 168 V CB -0.284 31.599 31.823 0.099 0.000 1.119 168 V HN 0.888 nan 8.190 nan 0.000 0.484 169 D N 2.367 122.780 120.400 0.021 0.000 2.478 169 D HA 0.062 4.707 4.640 0.010 0.000 0.269 169 D C 1.439 177.744 176.300 0.009 0.000 1.232 169 D CA -0.165 53.843 54.000 0.013 0.000 1.059 169 D CB 0.705 41.510 40.800 0.007 0.000 1.104 169 D HN 0.189 nan 8.370 nan 0.000 0.566 170 T N -1.794 112.762 114.554 0.004 0.000 2.867 170 T HA -0.163 4.193 4.350 0.010 0.000 0.268 170 T C 1.781 176.480 174.700 -0.003 0.000 1.057 170 T CA 1.629 63.729 62.100 0.000 0.000 1.136 170 T CB -0.302 68.565 68.868 -0.002 0.000 0.874 170 T HN 0.444 nan 8.240 nan 0.000 0.466 171 R N 0.028 120.527 120.500 -0.002 0.000 2.081 171 R HA 0.017 4.363 4.340 0.010 0.000 0.235 171 R C 2.552 178.849 176.300 -0.005 0.000 1.131 171 R CA 1.441 57.539 56.100 -0.004 0.000 0.960 171 R CB -0.549 29.749 30.300 -0.004 0.000 0.856 171 R HN 0.425 nan 8.270 nan 0.000 0.436 172 A N 0.779 123.598 122.820 -0.002 0.000 1.873 172 A HA -0.049 4.277 4.320 0.010 0.000 0.215 172 A C 2.378 179.962 177.584 -0.001 0.000 1.186 172 A CA 1.501 53.538 52.037 -0.001 0.000 0.616 172 A CB -0.812 18.191 19.000 0.006 0.000 0.823 172 A HN 0.524 nan 8.150 nan 0.000 0.442 173 A N -0.097 122.724 122.820 0.002 0.000 1.948 173 A HA 0.075 4.401 4.320 0.010 0.000 0.220 173 A C 2.460 180.032 177.584 -0.019 0.000 1.177 173 A CA 2.322 54.357 52.037 -0.003 0.000 0.636 173 A CB -0.929 18.071 19.000 0.001 0.000 0.815 173 A HN 1.076 nan 8.150 nan 0.000 0.449 174 A N -0.621 122.187 122.820 -0.018 0.000 1.929 174 A HA -0.051 4.275 4.320 0.010 0.000 0.216 174 A C 2.198 179.762 177.584 -0.033 0.000 1.176 174 A CA 1.286 53.307 52.037 -0.026 0.000 0.628 174 A CB -0.367 18.622 19.000 -0.019 0.000 0.816 174 A HN 0.538 nan 8.150 nan 0.000 0.444 175 R N -0.500 119.984 120.500 -0.027 0.000 2.081 175 R HA -0.073 4.272 4.340 0.010 0.000 0.235 175 R C 2.211 178.476 176.300 -0.059 0.000 1.131 175 R CA 1.362 57.443 56.100 -0.032 0.000 0.960 175 R CB -0.502 29.788 30.300 -0.015 0.000 0.856 175 R HN 0.515 nan 8.270 nan 0.000 0.436 176 L N 1.297 122.484 121.223 -0.060 0.000 1.970 176 L HA -0.196 4.149 4.340 0.010 0.000 0.212 176 L C 2.162 178.946 176.870 -0.143 0.000 1.071 176 L CA 2.787 57.568 54.840 -0.097 0.000 0.751 176 L CB -1.317 40.709 42.059 -0.056 0.000 0.889 176 L HN 0.395 nan 8.230 nan 0.000 0.432 177 T N -2.976 111.517 114.554 -0.102 0.000 2.833 177 T HA -0.086 4.270 4.350 0.010 0.000 0.269 177 T C 1.966 176.596 174.700 -0.117 0.000 1.054 177 T CA 1.000 63.034 62.100 -0.111 0.000 1.135 177 T CB -1.128 67.694 68.868 -0.076 0.000 0.869 177 T HN 0.450 nan 8.240 nan 0.000 0.466 178 G N 1.504 110.248 108.800 -0.093 0.000 2.408 178 G HA2 -0.010 3.956 3.960 0.010 0.000 0.217 178 G HA3 -0.010 3.956 3.960 0.010 0.000 0.217 178 G C 1.536 176.377 174.900 -0.097 0.000 1.150 178 G CA 0.618 45.671 45.100 -0.078 0.000 0.776 178 G HN 0.521 nan 8.290 nan 0.000 0.542 179 L N -0.059 121.078 121.223 -0.144 0.000 2.083 179 L HA -0.011 4.335 4.340 0.010 0.000 0.209 179 L C 2.848 179.519 176.870 -0.333 0.000 1.083 179 L CA 0.568 55.279 54.840 -0.215 0.000 0.752 179 L CB -0.321 41.566 42.059 -0.286 0.000 0.899 179 L HN 0.192 nan 8.230 nan 0.000 0.433 180 L N -0.763 120.228 121.223 -0.385 0.000 2.141 180 L HA -0.154 4.192 4.340 0.010 0.000 0.209 180 L C 2.852 179.717 176.870 -0.009 0.000 1.094 180 L CA 0.876 55.492 54.840 -0.374 0.000 0.763 180 L CB -0.727 41.142 42.059 -0.318 0.000 0.908 180 L HN 0.233 nan 8.230 nan 0.000 0.437 181 A N -1.127 121.662 122.820 -0.050 0.000 1.858 181 A HA -0.163 4.163 4.320 0.010 0.000 0.216 181 A C 0.948 178.598 177.584 0.109 0.000 1.190 181 A CA 1.458 53.495 52.037 -0.000 0.000 0.617 181 A CB -0.103 18.853 19.000 -0.073 0.000 0.827 181 A HN 0.422 nan 8.150 nan 0.000 0.443 182 D N -3.107 117.325 120.400 0.053 0.000 2.931 182 D HA 0.460 5.106 4.640 0.010 0.000 0.215 182 D C -0.550 175.787 176.300 0.061 0.000 1.297 182 D CA 0.277 54.327 54.000 0.084 0.000 0.892 182 D CB 1.736 42.577 40.800 0.068 0.000 1.642 182 D HN 0.106 nan 8.370 nan 0.000 0.560 183 A N 1.785 124.674 122.820 0.115 0.000 2.465 183 A HA 0.512 4.838 4.320 0.010 0.000 0.255 183 A C 1.326 178.986 177.584 0.126 0.000 1.274 183 A CA 0.655 52.767 52.037 0.124 0.000 0.920 183 A CB -0.007 19.160 19.000 0.278 0.000 1.033 183 A HN 1.008 nan 8.150 nan 0.000 0.516 184 G N -1.223 107.638 108.800 0.101 0.000 2.179 184 G HA2 0.086 4.052 3.960 0.010 0.000 0.257 184 G HA3 0.086 4.052 3.960 0.010 0.000 0.257 184 G C 1.490 176.446 174.900 0.093 0.000 1.010 184 G CA 0.826 45.977 45.100 0.085 0.000 0.736 184 G HN 2.088 nan 8.290 nan 0.000 0.513 185 G N -1.690 107.175 108.800 0.109 0.000 2.168 185 G HA2 -0.257 3.709 3.960 0.010 0.000 0.263 185 G HA3 -0.257 3.709 3.960 0.010 0.000 0.263 185 G C 0.197 175.165 174.900 0.114 0.000 0.977 185 G CA 0.998 46.158 45.100 0.099 0.000 0.659 185 G HN 0.912 nan 8.290 nan 0.000 0.533 186 E N 0.441 120.729 120.200 0.146 0.000 2.283 186 E HA 0.493 4.849 4.350 0.010 0.000 0.271 186 E C 0.530 177.261 176.600 0.217 0.000 1.031 186 E CA 0.256 56.758 56.400 0.169 0.000 0.868 186 E CB 1.314 31.120 29.700 0.177 0.000 1.094 186 E HN 0.487 nan 8.360 nan 0.000 0.401 187 D N -0.266 120.249 120.400 0.192 0.000 2.530 187 D HA -0.020 4.625 4.640 0.010 0.000 0.290 187 D C -0.375 176.026 176.300 0.169 0.000 1.398 187 D CA -0.097 53.972 54.000 0.115 0.000 0.848 187 D CB 0.047 40.831 40.800 -0.026 0.000 1.279 187 D HN 0.202 nan 8.370 nan 0.000 0.483 188 Q N 0.891 120.855 119.800 0.274 0.000 2.786 188 Q HA 0.523 4.868 4.340 0.010 0.000 0.240 188 Q C -1.315 175.032 176.000 0.577 0.000 0.928 188 Q CA -0.303 55.749 55.803 0.415 0.000 0.721 188 Q CB 2.178 31.157 28.738 0.401 0.000 1.318 188 Q HN 0.113 nan 8.270 nan 0.000 0.474 189 L N 1.049 122.684 121.223 0.686 0.000 2.381 189 L HA 0.923 5.269 4.340 0.010 0.000 0.268 189 L C -0.772 176.446 176.870 0.580 0.000 0.997 189 L CA -0.809 54.369 54.840 0.563 0.000 0.818 189 L CB 2.160 44.430 42.059 0.351 0.000 1.310 189 L HN 0.500 nan 8.230 nan 0.000 0.416 190 A N 3.468 126.514 122.820 0.376 0.000 2.343 190 A HA 0.776 5.102 4.320 0.010 0.000 0.308 190 A C -0.796 176.816 177.584 0.047 0.000 1.092 190 A CA -0.400 51.687 52.037 0.083 0.000 0.751 190 A CB 0.709 19.522 19.000 -0.311 0.000 1.203 190 A HN 0.626 nan 8.150 nan 0.000 0.452 191 I N 3.475 124.056 120.570 0.017 0.000 2.325 191 I HA 0.396 4.572 4.170 0.010 0.000 0.291 191 I C 0.237 176.328 176.117 -0.042 0.000 1.019 191 I CA -0.371 60.928 61.300 -0.002 0.000 1.302 191 I CB 0.666 38.667 38.000 0.002 0.000 1.401 191 I HN 0.612 nan 8.210 nan 0.000 0.485 192 R N 3.555 124.033 120.500 -0.038 0.000 2.905 192 R HA 0.411 4.756 4.340 0.010 0.000 0.260 192 R C 0.943 177.223 176.300 -0.034 0.000 1.086 192 R CA -0.711 55.356 56.100 -0.056 0.000 0.978 192 R CB 0.786 31.040 30.300 -0.078 0.000 1.215 192 R HN 0.669 nan 8.270 nan 0.000 0.480 193 G N 0.058 108.836 108.800 -0.036 0.000 2.432 193 G HA2 -0.246 3.720 3.960 0.010 0.000 0.219 193 G HA3 -0.246 3.720 3.960 0.010 0.000 0.219 193 G C 1.105 175.995 174.900 -0.016 0.000 1.135 193 G CA 1.223 46.309 45.100 -0.023 0.000 0.767 193 G HN 0.565 nan 8.290 nan 0.000 0.550 194 S N -0.707 114.982 115.700 -0.018 0.000 2.489 194 S HA 0.463 4.939 4.470 0.010 0.000 0.228 194 S C 1.072 175.672 174.600 0.000 0.000 0.995 194 S CA 0.800 58.995 58.200 -0.009 0.000 0.934 194 S CB 0.105 63.299 63.200 -0.010 0.000 0.771 194 S HN 1.320 nan 8.310 nan 0.000 0.522 195 G N -0.302 108.499 108.800 0.001 0.000 2.359 195 G HA2 0.322 4.288 3.960 0.010 0.000 0.293 195 G HA3 0.322 4.288 3.960 0.010 0.000 0.293 195 G C -1.644 173.269 174.900 0.022 0.000 1.300 195 G CA -0.460 44.648 45.100 0.014 0.000 0.888 195 G HN 0.460 nan 8.290 nan 0.000 0.541 196 V N 0.870 120.808 119.914 0.040 0.000 2.439 196 V HA 0.654 4.779 4.120 0.010 0.000 0.282 196 V C 0.432 176.589 176.094 0.104 0.000 1.039 196 V CA -0.428 61.911 62.300 0.066 0.000 0.913 196 V CB 0.966 32.828 31.823 0.065 0.000 0.983 196 V HN 0.627 nan 8.190 nan 0.000 0.460 197 L N 3.908 125.222 121.223 0.152 0.000 2.330 197 L HA 0.956 5.301 4.340 0.010 0.000 0.271 197 L C 0.114 177.220 176.870 0.394 0.000 1.013 197 L CA -0.549 54.438 54.840 0.246 0.000 0.816 197 L CB 1.941 44.154 42.059 0.258 0.000 1.287 197 L HN 0.742 nan 8.230 nan 0.000 0.435 198 A N 1.794 124.840 122.820 0.377 0.000 2.469 198 A HA 0.685 5.010 4.320 0.010 0.000 0.299 198 A C -0.964 176.607 177.584 -0.023 0.000 1.098 198 A CA -0.716 51.500 52.037 0.298 0.000 0.737 198 A CB 1.774 20.881 19.000 0.178 0.000 1.312 198 A HN 0.750 nan 8.150 nan 0.000 0.414 199 R N 0.717 120.962 120.500 -0.425 0.000 2.390 199 R HA 0.504 4.850 4.340 0.010 0.000 0.291 199 R C -0.777 175.269 176.300 -0.423 0.000 1.070 199 R CA -0.192 55.322 56.100 -0.977 0.000 1.014 199 R CB 0.442 30.166 30.300 -0.961 0.000 1.007 199 R HN 0.685 nan 8.270 nan 0.000 0.466 200 R N 3.410 123.648 120.500 -0.437 0.000 2.725 200 R HA 0.357 4.703 4.340 0.010 0.000 0.277 200 R C -1.430 174.771 176.300 -0.165 0.000 0.987 200 R CA -1.146 54.829 56.100 -0.209 0.000 0.901 200 R CB 1.494 31.707 30.300 -0.145 0.000 1.207 200 R HN 0.439 nan 8.270 nan 0.000 0.463 201 L N 1.343 122.516 121.223 -0.083 0.000 2.295 201 L HA 0.777 5.123 4.340 0.010 0.000 0.285 201 L C -0.787 176.079 176.870 -0.005 0.000 1.035 201 L CA -0.144 54.687 54.840 -0.015 0.000 0.806 201 L CB 1.554 43.603 42.059 -0.017 0.000 1.214 201 L HN 0.832 nan 8.230 nan 0.000 0.426 202 A N 2.848 125.744 122.820 0.128 0.000 2.515 202 A HA 0.609 4.935 4.320 0.010 0.000 0.296 202 A C -1.183 176.460 177.584 0.098 0.000 1.094 202 A CA -0.660 51.437 52.037 0.099 0.000 0.718 202 A CB 0.595 19.699 19.000 0.174 0.000 1.307 202 A HN 0.833 nan 8.150 nan 0.000 0.408 203 H N 0.484 119.552 119.070 -0.003 0.000 2.815 203 H HA 0.405 4.965 4.556 0.007 0.000 0.350 203 H C 0.940 176.103 175.328 -0.276 0.000 1.080 203 H CA 1.153 57.047 56.048 -0.258 0.000 1.433 203 H CB 0.929 30.535 29.762 -0.258 0.000 1.432 203 H HN 0.894 nan 8.280 nan 0.000 0.592 204 A N 2.431 125.076 122.820 -0.291 0.000 2.351 204 A HA 0.538 4.864 4.320 0.010 0.000 0.257 204 A C 0.328 177.762 177.584 -0.250 0.000 1.087 204 A CA -0.220 51.545 52.037 -0.453 0.000 0.798 204 A CB 0.026 18.803 19.000 -0.371 0.000 1.033 204 A HN 0.873 nan 8.150 nan 0.000 0.488 205 A N 2.315 125.001 122.820 -0.224 0.000 2.483 205 A HA 0.516 4.841 4.320 0.010 0.000 0.238 205 A C -2.173 175.348 177.584 -0.106 0.000 1.070 205 A CA -0.799 51.167 52.037 -0.117 0.000 0.770 205 A CB -0.804 18.154 19.000 -0.070 0.000 1.008 205 A HN 0.646 nan 8.150 nan 0.000 0.497 206 P HA 0.319 nan 4.420 nan 0.000 0.272 206 P C -0.161 177.105 177.300 -0.057 0.000 1.223 206 P CA 0.179 63.233 63.100 -0.078 0.000 0.784 206 P CB 0.613 32.271 31.700 -0.070 0.000 0.923 207 A N 2.287 125.077 122.820 -0.051 0.000 2.540 207 A HA 0.216 4.542 4.320 0.010 0.000 0.239 207 A C -0.109 177.461 177.584 -0.022 0.000 1.061 207 A CA 0.099 52.116 52.037 -0.033 0.000 0.758 207 A CB -0.324 18.659 19.000 -0.029 0.000 0.991 207 A HN 0.373 nan 8.150 nan 0.000 0.502 208 V N 5.709 125.615 119.914 -0.012 0.000 2.311 208 V HA 0.252 4.378 4.120 0.010 0.000 0.275 208 V C -2.271 173.824 176.094 0.001 0.000 1.022 208 V CA -1.529 60.768 62.300 -0.006 0.000 0.830 208 V CB 1.058 32.879 31.823 -0.004 0.000 1.012 208 V HN 0.781 nan 8.190 nan 0.000 0.452 209 P HA 0.168 nan 4.420 nan 0.000 0.258 209 P C 1.073 178.380 177.300 0.011 0.000 1.187 209 P CA 1.407 64.511 63.100 0.008 0.000 0.767 209 P CB 0.319 32.022 31.700 0.005 0.000 0.770 210 G N 2.954 111.764 108.800 0.017 0.000 2.175 210 G HA2 -0.314 3.652 3.960 0.010 0.000 0.244 210 G HA3 -0.314 3.652 3.960 0.010 0.000 0.244 210 G C 1.249 176.159 174.900 0.018 0.000 0.982 210 G CA 0.486 45.597 45.100 0.018 0.000 0.641 210 G HN 0.577 nan 8.290 nan 0.000 0.527 211 S N -0.133 115.576 115.700 0.016 0.000 2.436 211 S HA 0.269 4.745 4.470 0.010 0.000 0.228 211 S C 2.266 176.876 174.600 0.018 0.000 1.014 211 S CA 1.492 59.700 58.200 0.014 0.000 0.950 211 S CB -0.179 63.027 63.200 0.010 0.000 0.784 211 S HN 1.474 nan 8.310 nan 0.000 0.504 212 G N 1.474 110.288 108.800 0.024 0.000 2.813 212 G HA2 0.142 4.107 3.960 0.010 0.000 0.209 212 G HA3 0.142 4.107 3.960 0.010 0.000 0.209 212 G C 0.381 175.299 174.900 0.031 0.000 1.150 212 G CA -0.183 44.934 45.100 0.028 0.000 0.785 212 G HN 0.618 nan 8.290 nan 0.000 0.535 213 K N -0.468 119.950 120.400 0.030 0.000 3.035 213 K HA -0.257 4.069 4.320 0.010 0.000 0.262 213 K C 0.632 177.258 176.600 0.043 0.000 1.024 213 K CA 0.588 56.894 56.287 0.031 0.000 0.748 213 K CB -1.484 31.031 32.500 0.025 0.000 1.247 213 K HN 0.491 nan 8.250 nan 0.000 0.482 214 R N 1.558 122.090 120.500 0.052 0.000 2.486 214 R HA 0.015 4.361 4.340 0.010 0.000 0.303 214 R C -1.960 174.385 176.300 0.074 0.000 0.958 214 R CA -0.916 55.226 56.100 0.071 0.000 1.077 214 R CB 0.354 30.704 30.300 0.084 0.000 0.921 214 R HN -0.011 nan 8.270 nan 0.000 0.406 215 P HA 0.197 nan 4.420 nan 0.000 0.274 215 P C -2.513 174.854 177.300 0.112 0.000 1.237 215 P CA -1.334 61.817 63.100 0.086 0.000 0.793 215 P CB 0.088 31.856 31.700 0.112 0.000 0.977 216 P HA -0.013 nan 4.420 nan 0.000 0.265 216 P C -0.501 176.935 177.300 0.226 0.000 1.193 216 P CA 0.102 63.263 63.100 0.102 0.000 0.765 216 P CB 0.117 31.835 31.700 0.030 0.000 0.823 217 V N 5.528 125.561 119.914 0.200 0.000 2.599 217 V HA 0.140 4.266 4.120 0.010 0.000 0.300 217 V C 0.795 177.054 176.094 0.276 0.000 1.034 217 V CA 0.816 63.248 62.300 0.220 0.000 1.115 217 V CB -0.753 31.156 31.823 0.144 0.000 0.934 217 V HN 0.830 nan 8.190 nan 0.000 0.485 218 H N 2.606 121.722 119.070 0.077 0.000 2.918 218 H HA 0.597 5.158 4.556 0.008 0.000 0.303 218 H C 0.206 175.580 175.328 0.077 0.000 1.380 218 H CA -0.293 55.796 56.048 0.069 0.000 1.134 218 H CB 1.094 30.890 29.762 0.058 0.000 1.842 218 H HN 1.053 nan 8.280 nan 0.000 0.533 219 G N 0.416 109.230 108.800 0.024 0.000 2.574 219 G HA2 -0.254 3.712 3.960 0.010 0.000 0.282 219 G HA3 -0.254 3.712 3.960 0.010 0.000 0.282 219 G C -0.651 174.260 174.900 0.019 0.000 1.257 219 G CA 0.269 45.355 45.100 -0.024 0.000 0.956 219 G HN 0.842 nan 8.290 nan 0.000 0.560 220 S N -0.745 114.966 115.700 0.019 0.000 2.508 220 S HA 0.614 5.089 4.470 0.010 0.000 0.284 220 S C 0.005 174.590 174.600 -0.026 0.000 1.192 220 S CA -0.342 57.882 58.200 0.041 0.000 1.070 220 S CB 1.786 65.054 63.200 0.113 0.000 1.004 220 S HN 1.031 nan 8.310 nan 0.000 0.493 221 V N 4.014 123.899 119.914 -0.050 0.000 2.487 221 V HA 0.425 4.550 4.120 0.010 0.000 0.298 221 V C -0.647 175.436 176.094 -0.019 0.000 1.028 221 V CA -0.829 61.478 62.300 0.011 0.000 0.860 221 V CB 1.596 33.459 31.823 0.067 0.000 0.991 221 V HN 0.715 nan 8.190 nan 0.000 0.427 222 L N 6.808 128.048 121.223 0.028 0.000 2.257 222 L HA 0.618 4.964 4.340 0.010 0.000 0.290 222 L C -0.429 176.474 176.870 0.056 0.000 1.044 222 L CA 0.262 55.107 54.840 0.008 0.000 0.810 222 L CB 1.363 43.427 42.059 0.009 0.000 1.193 222 L HN 0.458 nan 8.230 nan 0.000 0.425 223 V N 4.502 124.428 119.914 0.020 0.000 2.293 223 V HA 0.360 4.485 4.120 0.010 0.000 0.275 223 V C 0.510 176.604 176.094 0.001 0.000 1.021 223 V CA -0.376 61.938 62.300 0.023 0.000 0.815 223 V CB 1.041 32.854 31.823 -0.016 0.000 1.025 223 V HN 0.896 nan 8.190 nan 0.000 0.448 224 T N 1.143 115.704 114.554 0.012 0.000 2.898 224 T HA 0.468 4.823 4.350 0.010 0.000 0.301 224 T C 1.283 175.967 174.700 -0.028 0.000 1.049 224 T CA 0.491 62.608 62.100 0.028 0.000 1.095 224 T CB 1.273 70.228 68.868 0.145 0.000 0.976 224 T HN 1.825 nan 8.240 nan 0.000 0.539 225 G N 1.198 109.987 108.800 -0.018 0.000 2.233 225 G HA2 -0.212 3.754 3.960 0.010 0.000 0.270 225 G HA3 -0.212 3.754 3.960 0.010 0.000 0.270 225 G C 1.016 175.900 174.900 -0.026 0.000 1.011 225 G CA 0.410 45.492 45.100 -0.030 0.000 0.762 225 G HN 1.461 nan 8.290 nan 0.000 0.511 226 G N -0.402 108.386 108.800 -0.020 0.000 2.471 226 G HA2 0.106 4.072 3.960 0.010 0.000 0.219 226 G HA3 0.106 4.072 3.960 0.010 0.000 0.219 226 G C 1.668 176.554 174.900 -0.024 0.000 1.125 226 G CA 1.923 47.010 45.100 -0.023 0.000 0.775 226 G HN 1.257 nan 8.290 nan 0.000 0.548 227 T N -1.627 112.915 114.554 -0.019 0.000 3.100 227 T HA 0.350 4.706 4.350 0.010 0.000 0.253 227 T C 1.434 176.119 174.700 -0.026 0.000 1.118 227 T CA 0.338 62.427 62.100 -0.018 0.000 1.058 227 T CB 0.444 69.306 68.868 -0.010 0.000 0.953 227 T HN 0.237 nan 8.240 nan 0.000 0.515 228 G N 0.270 109.049 108.800 -0.034 0.000 2.563 228 G HA2 0.491 4.456 3.960 0.010 0.000 0.283 228 G HA3 0.491 4.456 3.960 0.010 0.000 0.283 228 G C 1.098 175.951 174.900 -0.078 0.000 1.309 228 G CA -0.350 44.720 45.100 -0.049 0.000 1.022 228 G HN 0.228 nan 8.290 nan 0.000 0.501 229 G N -0.699 108.036 108.800 -0.109 0.000 2.434 229 G HA2 -0.152 3.814 3.960 0.010 0.000 0.214 229 G HA3 -0.152 3.814 3.960 0.010 0.000 0.214 229 G C 1.665 176.422 174.900 -0.239 0.000 1.202 229 G CA 0.854 45.871 45.100 -0.139 0.000 0.788 229 G HN 0.467 nan 8.290 nan 0.000 0.539 230 I N 1.248 121.552 120.570 -0.443 0.000 2.286 230 I HA -0.040 4.135 4.170 0.010 0.000 0.245 230 I C 3.066 179.026 176.117 -0.263 0.000 1.104 230 I CA 0.869 61.723 61.300 -0.744 0.000 1.397 230 I CB -0.431 36.877 38.000 -1.153 0.000 1.072 230 I HN 0.271 nan 8.210 nan 0.000 0.417 231 G N 0.612 109.350 108.800 -0.104 0.000 2.422 231 G HA2 -0.189 3.777 3.960 0.010 0.000 0.218 231 G HA3 -0.189 3.777 3.960 0.010 0.000 0.218 231 G C 1.711 176.592 174.900 -0.032 0.000 1.146 231 G CA 0.825 45.922 45.100 -0.004 0.000 0.769 231 G HN 0.491 nan 8.290 nan 0.000 0.547 232 G N 0.488 109.258 108.800 -0.049 0.000 2.418 232 G HA2 -0.160 3.806 3.960 0.010 0.000 0.217 232 G HA3 -0.160 3.806 3.960 0.010 0.000 0.217 232 G C 1.973 176.864 174.900 -0.015 0.000 1.158 232 G CA 0.566 45.648 45.100 -0.030 0.000 0.771 232 G HN 0.256 nan 8.290 nan 0.000 0.545 233 R N 0.198 120.694 120.500 -0.007 0.000 2.092 233 R HA 0.036 4.382 4.340 0.010 0.000 0.231 233 R C 2.714 179.045 176.300 0.051 0.000 1.119 233 R CA 0.663 56.793 56.100 0.050 0.000 0.970 233 R CB -1.230 29.161 30.300 0.152 0.000 0.864 233 R HN 0.352 nan 8.270 nan 0.000 0.440 234 V N 1.494 121.430 119.914 0.037 0.000 2.287 234 V HA -0.261 3.865 4.120 0.010 0.000 0.248 234 V C 2.564 178.599 176.094 -0.099 0.000 1.053 234 V CA 2.020 64.314 62.300 -0.010 0.000 1.027 234 V CB -0.949 30.894 31.823 0.034 0.000 0.646 234 V HN 0.318 nan 8.190 nan 0.000 0.447 235 A N -0.111 122.661 122.820 -0.080 0.000 1.883 235 A HA -0.252 4.073 4.320 0.010 0.000 0.217 235 A C 2.356 179.912 177.584 -0.048 0.000 1.186 235 A CA 2.031 54.020 52.037 -0.081 0.000 0.624 235 A CB -0.548 18.421 19.000 -0.052 0.000 0.822 235 A HN 0.519 nan 8.150 nan 0.000 0.444 236 R N -1.187 119.300 120.500 -0.021 0.000 2.096 236 R HA -0.195 4.151 4.340 0.010 0.000 0.240 236 R C 2.489 178.789 176.300 -0.001 0.000 1.139 236 R CA 1.857 57.955 56.100 -0.003 0.000 0.952 236 R CB -0.327 29.980 30.300 0.011 0.000 0.854 236 R HN 0.482 nan 8.270 nan 0.000 0.436 237 R N 1.108 121.608 120.500 -0.000 0.000 2.091 237 R HA -0.089 4.257 4.340 0.010 0.000 0.238 237 R C 2.090 178.385 176.300 -0.009 0.000 1.136 237 R CA 1.352 57.457 56.100 0.008 0.000 0.959 237 R CB -0.479 29.835 30.300 0.024 0.000 0.856 237 R HN 0.198 nan 8.270 nan 0.000 0.437 238 L N -0.402 120.788 121.223 -0.054 0.000 2.093 238 L HA -0.082 4.264 4.340 0.010 0.000 0.208 238 L C 2.498 179.364 176.870 -0.006 0.000 1.085 238 L CA 1.260 56.069 54.840 -0.052 0.000 0.755 238 L CB -0.585 41.397 42.059 -0.128 0.000 0.904 238 L HN 0.334 nan 8.230 nan 0.000 0.435 239 A N 0.060 122.876 122.820 -0.006 0.000 1.902 239 A HA -0.231 4.094 4.320 0.010 0.000 0.217 239 A C 2.156 179.754 177.584 0.023 0.000 1.181 239 A CA 1.745 53.790 52.037 0.014 0.000 0.623 239 A CB -0.447 18.559 19.000 0.010 0.000 0.818 239 A HN 0.454 nan 8.150 nan 0.000 0.443 240 E N -0.407 119.805 120.200 0.020 0.000 2.153 240 E HA -0.200 4.155 4.350 0.010 0.000 0.194 240 E C 2.021 178.642 176.600 0.034 0.000 0.988 240 E CA 1.266 57.682 56.400 0.027 0.000 0.811 240 E CB -0.151 29.565 29.700 0.026 0.000 0.746 240 E HN 0.741 nan 8.360 nan 0.000 0.466 241 Q N -1.052 118.770 119.800 0.038 0.000 2.451 241 Q HA 0.066 4.412 4.340 0.010 0.000 0.206 241 Q C 1.035 177.073 176.000 0.063 0.000 0.947 241 Q CA 0.579 56.413 55.803 0.051 0.000 0.937 241 Q CB 0.946 29.718 28.738 0.057 0.000 1.025 241 Q HN 0.390 nan 8.270 nan 0.000 0.511 242 G N -0.088 108.749 108.800 0.062 0.000 2.425 242 G HA2 -0.131 3.835 3.960 0.010 0.000 0.177 242 G HA3 -0.131 3.835 3.960 0.010 0.000 0.177 242 G C 0.151 175.108 174.900 0.094 0.000 0.999 242 G CA -0.355 44.793 45.100 0.079 0.000 0.723 242 G HN 0.408 nan 8.290 nan 0.000 0.491 243 A N 0.655 123.521 122.820 0.078 0.000 2.565 243 A HA 0.649 4.975 4.320 0.010 0.000 0.237 243 A C 1.691 179.324 177.584 0.083 0.000 1.053 243 A CA 1.379 53.460 52.037 0.074 0.000 0.755 243 A CB 0.546 19.570 19.000 0.041 0.000 0.980 243 A HN 1.704 nan 8.150 nan 0.000 0.506 244 A N 1.651 124.533 122.820 0.102 0.000 1.975 244 A HA 0.263 4.589 4.320 0.010 0.000 0.215 244 A C 0.909 178.589 177.584 0.161 0.000 1.170 244 A CA 1.720 53.825 52.037 0.113 0.000 0.656 244 A CB -0.171 18.894 19.000 0.110 0.000 0.821 244 A HN 1.180 nan 8.150 nan 0.000 0.449 245 H N -1.565 117.518 119.070 0.021 0.000 2.966 245 H HA 0.634 5.196 4.556 0.010 0.000 0.347 245 H C -1.753 173.584 175.328 0.015 0.000 1.048 245 H CA -1.035 55.022 56.048 0.016 0.000 1.295 245 H CB 0.619 30.390 29.762 0.015 0.000 1.744 245 H HN 0.076 nan 8.280 nan 0.000 0.513 246 L N 5.363 126.502 121.223 -0.140 0.000 2.313 246 L HA 0.538 4.884 4.340 0.010 0.000 0.283 246 L C -0.583 176.084 176.870 -0.338 0.000 1.013 246 L CA -1.165 53.553 54.840 -0.203 0.000 0.816 246 L CB 1.843 43.857 42.059 -0.076 0.000 1.236 246 L HN 0.398 nan 8.230 nan 0.000 0.419 247 V N 5.362 125.084 119.914 -0.321 0.000 2.347 247 V HA 0.403 4.528 4.120 0.010 0.000 0.280 247 V C -0.014 176.021 176.094 -0.097 0.000 1.021 247 V CA -0.412 61.750 62.300 -0.229 0.000 0.847 247 V CB 1.497 33.199 31.823 -0.203 0.000 0.990 247 V HN 0.499 nan 8.190 nan 0.000 0.444 248 L N 5.476 126.664 121.223 -0.058 0.000 2.296 248 L HA 0.752 5.098 4.340 0.010 0.000 0.286 248 L C 0.353 177.216 176.870 -0.012 0.000 1.023 248 L CA -0.269 54.553 54.840 -0.030 0.000 0.812 248 L CB 1.943 43.987 42.059 -0.024 0.000 1.223 248 L HN 0.755 nan 8.230 nan 0.000 0.421 249 T N -0.424 114.128 114.554 -0.003 0.000 2.924 249 T HA 0.888 5.244 4.350 0.010 0.000 0.291 249 T C -0.319 174.388 174.700 0.012 0.000 1.045 249 T CA -0.600 61.506 62.100 0.010 0.000 1.015 249 T CB 2.214 71.095 68.868 0.021 0.000 1.103 249 T HN 0.750 nan 8.240 nan 0.000 0.496 250 S N 0.531 116.241 115.700 0.017 0.000 2.645 250 S HA 0.397 4.873 4.470 0.010 0.000 0.268 250 S C 0.496 175.109 174.600 0.023 0.000 1.110 250 S CA -1.222 56.989 58.200 0.018 0.000 0.823 250 S CB 1.180 64.385 63.200 0.009 0.000 1.091 250 S HN 0.814 nan 8.310 nan 0.000 0.466 251 R N 0.424 120.940 120.500 0.026 0.000 2.105 251 R HA 0.043 4.388 4.340 0.010 0.000 0.239 251 R C 2.091 178.403 176.300 0.020 0.000 1.135 251 R CA 1.640 57.757 56.100 0.027 0.000 0.967 251 R CB -0.290 30.029 30.300 0.032 0.000 0.861 251 R HN 0.571 nan 8.270 nan 0.000 0.442 252 R N -0.186 120.323 120.500 0.016 0.000 2.240 252 R HA 0.081 4.427 4.340 0.010 0.000 0.203 252 R C 1.355 177.661 176.300 0.010 0.000 1.011 252 R CA 0.407 56.514 56.100 0.011 0.000 1.007 252 R CB 0.110 30.414 30.300 0.007 0.000 0.911 252 R HN 0.352 nan 8.270 nan 0.000 0.468 253 G N 0.984 109.790 108.800 0.011 0.000 2.660 253 G HA2 -0.469 3.497 3.960 0.010 0.000 0.321 253 G HA3 -0.469 3.497 3.960 0.010 0.000 0.321 253 G C 0.902 175.806 174.900 0.007 0.000 1.246 253 G CA 0.576 45.682 45.100 0.010 0.000 1.000 253 G HN 0.418 nan 8.290 nan 0.000 0.550 254 A N -0.611 122.215 122.820 0.009 0.000 2.209 254 A HA 0.230 4.556 4.320 0.010 0.000 0.212 254 A C 1.740 179.327 177.584 0.005 0.000 1.158 254 A CA 2.138 54.180 52.037 0.007 0.000 0.742 254 A CB -0.208 18.798 19.000 0.010 0.000 0.790 254 A HN 0.527 nan 8.150 nan 0.000 0.472 255 D N 0.087 120.489 120.400 0.005 0.000 2.339 255 D HA 0.284 4.929 4.640 0.010 0.000 0.217 255 D C 0.871 177.171 176.300 0.000 0.000 1.050 255 D CA 0.608 54.610 54.000 0.002 0.000 0.856 255 D CB -0.011 40.791 40.800 0.003 0.000 0.922 255 D HN 0.423 nan 8.370 nan 0.000 0.518 256 A N 1.864 124.685 122.820 0.000 0.000 2.483 256 A HA 0.281 4.607 4.320 0.010 0.000 0.238 256 A C -2.128 175.452 177.584 -0.006 0.000 1.070 256 A CA -0.763 51.273 52.037 -0.003 0.000 0.770 256 A CB -0.186 18.812 19.000 -0.003 0.000 1.008 256 A HN -0.096 nan 8.150 nan 0.000 0.497 257 P HA 0.246 nan 4.420 nan 0.000 0.263 257 P C 0.982 178.275 177.300 -0.010 0.000 1.195 257 P CA 1.958 65.052 63.100 -0.011 0.000 0.762 257 P CB 0.530 32.221 31.700 -0.015 0.000 0.799 258 G N 3.023 111.818 108.800 -0.008 0.000 2.176 258 G HA2 -0.327 3.639 3.960 0.010 0.000 0.253 258 G HA3 -0.327 3.639 3.960 0.010 0.000 0.253 258 G C 1.162 176.058 174.900 -0.006 0.000 0.979 258 G CA 0.396 45.491 45.100 -0.008 0.000 0.641 258 G HN 0.650 nan 8.290 nan 0.000 0.530 259 A N 0.353 123.170 122.820 -0.004 0.000 1.902 259 A HA 0.393 4.718 4.320 0.010 0.000 0.217 259 A C 2.839 180.423 177.584 0.001 0.000 1.181 259 A CA 2.743 54.779 52.037 -0.002 0.000 0.623 259 A CB -0.865 18.135 19.000 -0.000 0.000 0.818 259 A HN 1.794 nan 8.150 nan 0.000 0.443 260 A N -0.350 122.470 122.820 0.001 0.000 1.902 260 A HA -0.182 4.144 4.320 0.010 0.000 0.217 260 A C 2.026 179.611 177.584 0.003 0.000 1.181 260 A CA 1.875 53.914 52.037 0.003 0.000 0.623 260 A CB -0.552 18.449 19.000 0.002 0.000 0.818 260 A HN 0.671 nan 8.150 nan 0.000 0.443 261 E N -0.295 119.906 120.200 0.001 0.000 2.051 261 E HA -0.165 4.191 4.350 0.010 0.000 0.192 261 E C 1.978 178.579 176.600 0.002 0.000 0.991 261 E CA 1.050 57.451 56.400 0.001 0.000 0.799 261 E CB -0.219 29.480 29.700 -0.001 0.000 0.748 261 E HN 0.562 nan 8.360 nan 0.000 0.449 262 L N 0.891 122.114 121.223 0.000 0.000 1.989 262 L HA -0.239 4.107 4.340 0.010 0.000 0.211 262 L C 2.830 179.702 176.870 0.004 0.000 1.071 262 L CA 1.713 56.553 54.840 0.000 0.000 0.749 262 L CB -0.381 41.676 42.059 -0.004 0.000 0.890 262 L HN 0.225 nan 8.230 nan 0.000 0.431 263 R N -0.372 120.131 120.500 0.006 0.000 2.103 263 R HA -0.220 4.125 4.340 0.010 0.000 0.242 263 R C 2.153 178.460 176.300 0.012 0.000 1.142 263 R CA 1.726 57.832 56.100 0.011 0.000 0.960 263 R CB -0.272 30.036 30.300 0.013 0.000 0.858 263 R HN 0.530 nan 8.270 nan 0.000 0.439 264 A N 0.701 123.527 122.820 0.009 0.000 1.898 264 A HA -0.192 4.134 4.320 0.010 0.000 0.216 264 A C 2.003 179.593 177.584 0.010 0.000 1.181 264 A CA 1.463 53.506 52.037 0.010 0.000 0.620 264 A CB -0.551 18.453 19.000 0.007 0.000 0.819 264 A HN 0.581 nan 8.150 nan 0.000 0.442 265 E N 0.077 120.282 120.200 0.008 0.000 2.070 265 E HA -0.217 4.139 4.350 0.010 0.000 0.197 265 E C 1.888 178.495 176.600 0.011 0.000 1.004 265 E CA 1.540 57.945 56.400 0.008 0.000 0.805 265 E CB -0.249 29.455 29.700 0.006 0.000 0.744 265 E HN 0.641 nan 8.360 nan 0.000 0.451 266 L N 0.350 121.579 121.223 0.011 0.000 2.093 266 L HA -0.128 4.218 4.340 0.010 0.000 0.208 266 L C 2.406 179.288 176.870 0.021 0.000 1.085 266 L CA 1.199 56.048 54.840 0.015 0.000 0.755 266 L CB -0.329 41.737 42.059 0.012 0.000 0.904 266 L HN 0.126 nan 8.230 nan 0.000 0.435 267 E N -0.442 119.770 120.200 0.021 0.000 2.208 267 E HA -0.169 4.186 4.350 0.010 0.000 0.193 267 E C 2.214 178.825 176.600 0.020 0.000 0.988 267 E CA 0.422 56.836 56.400 0.024 0.000 0.828 267 E CB 0.040 29.753 29.700 0.022 0.000 0.763 267 E HN 0.436 nan 8.360 nan 0.000 0.478 268 Q N 0.307 120.117 119.800 0.016 0.000 2.170 268 Q HA -0.104 4.242 4.340 0.010 0.000 0.203 268 Q C 2.081 178.090 176.000 0.016 0.000 0.976 268 Q CA 0.907 56.718 55.803 0.014 0.000 0.858 268 Q CB -0.017 28.728 28.738 0.012 0.000 0.907 268 Q HN 0.390 nan 8.270 nan 0.000 0.433 269 L N -0.876 120.358 121.223 0.018 0.000 2.610 269 L HA 0.046 4.391 4.340 0.010 0.000 0.232 269 L C 1.260 178.145 176.870 0.024 0.000 1.149 269 L CA 0.611 55.464 54.840 0.020 0.000 0.872 269 L CB -0.155 41.916 42.059 0.020 0.000 0.992 269 L HN 0.366 nan 8.230 nan 0.000 0.447 270 G N -0.585 108.230 108.800 0.025 0.000 2.179 270 G HA2 -0.232 3.734 3.960 0.010 0.000 0.220 270 G HA3 -0.232 3.734 3.960 0.010 0.000 0.220 270 G C 0.239 175.160 174.900 0.036 0.000 0.990 270 G CA -0.098 45.019 45.100 0.028 0.000 0.646 270 G HN 0.064 nan 8.290 nan 0.000 0.517 271 V N 1.827 121.766 119.914 0.041 0.000 2.583 271 V HA 0.408 4.534 4.120 0.010 0.000 0.287 271 V C 1.327 177.463 176.094 0.071 0.000 1.051 271 V CA -0.407 61.928 62.300 0.059 0.000 1.010 271 V CB 1.417 33.271 31.823 0.052 0.000 0.988 271 V HN 0.504 nan 8.190 nan 0.000 0.478 272 R N 3.183 123.742 120.500 0.098 0.000 2.537 272 R HA 0.389 4.735 4.340 0.010 0.000 0.280 272 R C -1.197 175.241 176.300 0.230 0.000 1.058 272 R CA -0.097 56.077 56.100 0.123 0.000 1.057 272 R CB 0.654 30.987 30.300 0.056 0.000 0.973 272 R HN 0.552 nan 8.270 nan 0.000 0.438 273 V N 3.761 123.779 119.914 0.173 0.000 2.531 273 V HA 0.300 4.425 4.120 0.010 0.000 0.301 273 V C -0.460 175.722 176.094 0.148 0.000 1.034 273 V CA -0.692 61.689 62.300 0.136 0.000 0.865 273 V CB 2.203 34.064 31.823 0.063 0.000 0.995 273 V HN 0.845 nan 8.190 nan 0.000 0.424 274 T N 6.187 120.822 114.554 0.135 0.000 2.807 274 T HA 0.696 5.052 4.350 0.010 0.000 0.279 274 T C -0.419 174.303 174.700 0.036 0.000 0.993 274 T CA -0.208 61.962 62.100 0.115 0.000 0.970 274 T CB 1.091 70.075 68.868 0.194 0.000 0.950 274 T HN 0.416 nan 8.240 nan 0.000 0.441 275 I N 2.639 123.229 120.570 0.033 0.000 2.410 275 I HA 0.654 4.830 4.170 0.010 0.000 0.286 275 I C -0.105 176.024 176.117 0.020 0.000 1.009 275 I CA -0.978 60.332 61.300 0.017 0.000 1.111 275 I CB 1.539 39.547 38.000 0.014 0.000 1.262 275 I HN 0.651 nan 8.210 nan 0.000 0.443 276 A N 4.747 127.576 122.820 0.016 0.000 2.365 276 A HA 0.891 5.217 4.320 0.010 0.000 0.318 276 A C -0.405 177.190 177.584 0.017 0.000 1.091 276 A CA -0.655 51.393 52.037 0.019 0.000 0.763 276 A CB 1.596 20.609 19.000 0.022 0.000 1.248 276 A HN 0.776 nan 8.150 nan 0.000 0.442 277 A N 1.025 123.855 122.820 0.018 0.000 2.279 277 A HA 0.609 4.935 4.320 0.010 0.000 0.306 277 A C 0.040 177.636 177.584 0.021 0.000 1.300 277 A CA 0.160 52.208 52.037 0.018 0.000 0.925 277 A CB -1.067 17.942 19.000 0.015 0.000 1.152 277 A HN 2.284 nan 8.150 nan 0.000 0.544 278 C N 0.811 120.126 119.300 0.025 0.000 3.292 278 C HA 0.554 5.020 4.460 0.010 0.000 0.368 278 C C -0.922 174.092 174.990 0.040 0.000 1.141 278 C CA -1.054 57.982 59.018 0.029 0.000 1.194 278 C CB 0.778 28.534 27.740 0.027 0.000 1.533 278 C HN 0.783 nan 8.230 nan 0.000 0.532 279 D N 1.011 121.438 120.400 0.044 0.000 2.383 279 D HA 0.459 5.105 4.640 0.010 0.000 0.252 279 D C 1.177 177.524 176.300 0.078 0.000 1.166 279 D CA 0.592 54.626 54.000 0.058 0.000 0.879 279 D CB 1.945 42.778 40.800 0.054 0.000 1.164 279 D HN 0.934 nan 8.370 nan 0.000 0.462 280 A N 3.636 126.514 122.820 0.096 0.000 2.178 280 A HA 0.019 4.345 4.320 0.010 0.000 0.218 280 A C 1.779 179.460 177.584 0.162 0.000 1.157 280 A CA 1.452 53.566 52.037 0.129 0.000 0.689 280 A CB -0.184 18.924 19.000 0.179 0.000 0.787 280 A HN 0.588 nan 8.150 nan 0.000 0.465 281 A N -0.725 122.183 122.820 0.147 0.000 2.251 281 A HA 0.173 4.499 4.320 0.010 0.000 0.209 281 A C 0.641 178.388 177.584 0.272 0.000 1.187 281 A CA 0.454 52.606 52.037 0.192 0.000 0.823 281 A CB -0.139 18.922 19.000 0.102 0.000 0.846 281 A HN 0.331 nan 8.150 nan 0.000 0.486 282 D N 0.263 120.755 120.400 0.153 0.000 2.456 282 D HA 0.143 4.789 4.640 0.010 0.000 0.219 282 D C 1.139 177.397 176.300 -0.070 0.000 1.126 282 D CA -0.405 53.622 54.000 0.046 0.000 0.890 282 D CB 0.394 41.214 40.800 0.033 0.000 1.025 282 D HN 0.294 nan 8.370 nan 0.000 0.511 283 R N 3.071 123.370 120.500 -0.335 0.000 2.096 283 R HA -0.167 4.179 4.340 0.010 0.000 0.235 283 R C 1.604 177.767 176.300 -0.229 0.000 1.127 283 R CA 1.436 57.195 56.100 -0.568 0.000 0.968 283 R CB 0.161 29.887 30.300 -0.957 0.000 0.861 283 R HN 0.526 nan 8.270 nan 0.000 0.440 284 E N -0.321 119.792 120.200 -0.146 0.000 2.072 284 E HA -0.169 4.187 4.350 0.010 0.000 0.191 284 E C 1.768 178.339 176.600 -0.048 0.000 0.985 284 E CA 1.202 57.555 56.400 -0.079 0.000 0.801 284 E CB -0.087 29.581 29.700 -0.054 0.000 0.750 284 E HN 0.471 nan 8.360 nan 0.000 0.452 285 A N 0.835 123.633 122.820 -0.036 0.000 1.933 285 A HA -0.161 4.164 4.320 0.010 0.000 0.218 285 A C 2.122 179.702 177.584 -0.007 0.000 1.175 285 A CA 1.276 53.306 52.037 -0.012 0.000 0.628 285 A CB -0.635 18.366 19.000 0.002 0.000 0.814 285 A HN 0.390 nan 8.150 nan 0.000 0.444 286 L N -0.199 121.015 121.223 -0.015 0.000 2.046 286 L HA -0.053 4.293 4.340 0.010 0.000 0.208 286 L C 2.636 179.502 176.870 -0.007 0.000 1.077 286 L CA 2.231 57.071 54.840 0.000 0.000 0.747 286 L CB -0.790 41.275 42.059 0.009 0.000 0.896 286 L HN 0.327 nan 8.230 nan 0.000 0.432 287 A N -0.407 122.396 122.820 -0.028 0.000 1.902 287 A HA -0.117 4.209 4.320 0.010 0.000 0.217 287 A C 2.458 180.037 177.584 -0.007 0.000 1.181 287 A CA 1.883 53.907 52.037 -0.021 0.000 0.623 287 A CB -1.199 17.779 19.000 -0.036 0.000 0.818 287 A HN 0.598 nan 8.150 nan 0.000 0.443 288 A N -0.661 122.155 122.820 -0.007 0.000 1.902 288 A HA -0.028 4.298 4.320 0.010 0.000 0.217 288 A C 2.122 179.713 177.584 0.012 0.000 1.181 288 A CA 1.677 53.715 52.037 0.002 0.000 0.623 288 A CB -0.612 18.389 19.000 0.001 0.000 0.818 288 A HN 0.588 nan 8.150 nan 0.000 0.443 289 L N -0.183 121.049 121.223 0.015 0.000 2.042 289 L HA -0.134 4.212 4.340 0.010 0.000 0.210 289 L C 2.329 179.218 176.870 0.031 0.000 1.076 289 L CA 1.683 56.538 54.840 0.025 0.000 0.749 289 L CB -0.378 41.695 42.059 0.023 0.000 0.893 289 L HN 0.423 nan 8.230 nan 0.000 0.432 290 L N -1.178 120.059 121.223 0.024 0.000 2.093 290 L HA -0.131 4.214 4.340 0.010 0.000 0.208 290 L C 2.594 179.479 176.870 0.026 0.000 1.085 290 L CA 0.981 55.837 54.840 0.026 0.000 0.755 290 L CB -0.879 41.191 42.059 0.020 0.000 0.904 290 L HN 0.336 nan 8.230 nan 0.000 0.435 291 A N -0.101 122.730 122.820 0.018 0.000 1.969 291 A HA -0.187 4.139 4.320 0.010 0.000 0.218 291 A C 2.090 179.687 177.584 0.020 0.000 1.169 291 A CA 1.307 53.353 52.037 0.015 0.000 0.635 291 A CB -0.340 18.665 19.000 0.008 0.000 0.810 291 A HN 0.425 nan 8.150 nan 0.000 0.445 292 E N -0.302 119.915 120.200 0.027 0.000 2.418 292 E HA 0.042 4.398 4.350 0.010 0.000 0.197 292 E C -0.148 176.478 176.600 0.043 0.000 1.026 292 E CA -0.305 56.115 56.400 0.032 0.000 0.862 292 E CB -0.225 29.499 29.700 0.040 0.000 0.799 292 E HN 0.586 nan 8.360 nan 0.000 0.518 293 L N 2.515 123.771 121.223 0.056 0.000 2.543 293 L HA 0.022 4.368 4.340 0.010 0.000 0.285 293 L C -1.963 174.929 176.870 0.038 0.000 1.236 293 L CA -1.529 53.357 54.840 0.077 0.000 0.871 293 L CB -0.429 41.684 42.059 0.090 0.000 1.121 293 L HN -0.132 nan 8.230 nan 0.000 0.501 294 P HA -0.037 nan 4.420 nan 0.000 0.265 294 P C 0.263 177.569 177.300 0.009 0.000 1.187 294 P CA -0.127 62.961 63.100 -0.020 0.000 0.766 294 P CB 0.412 32.070 31.700 -0.070 0.000 0.820 295 E N 2.442 122.646 120.200 0.006 0.000 2.118 295 E HA -0.201 4.155 4.350 0.010 0.000 0.195 295 E C 1.009 177.622 176.600 0.021 0.000 0.992 295 E CA 1.491 57.899 56.400 0.014 0.000 0.804 295 E CB -0.632 29.074 29.700 0.010 0.000 0.741 295 E HN 0.644 nan 8.360 nan 0.000 0.458 296 D N 0.200 120.610 120.400 0.016 0.000 2.349 296 D HA 0.094 4.740 4.640 0.010 0.000 0.224 296 D C 0.200 176.525 176.300 0.041 0.000 1.029 296 D CA 0.293 54.309 54.000 0.026 0.000 0.879 296 D CB 0.187 40.997 40.800 0.016 0.000 0.906 296 D HN 0.056 nan 8.370 nan 0.000 0.528 297 A N 1.441 124.286 122.820 0.041 0.000 3.370 297 A HA 0.383 4.709 4.320 0.010 0.000 0.295 297 A C -2.733 174.893 177.584 0.069 0.000 1.030 297 A CA -1.054 51.022 52.037 0.065 0.000 0.883 297 A CB 0.726 19.771 19.000 0.075 0.000 1.191 297 A HN -0.027 nan 8.150 nan 0.000 0.507 298 P HA 0.133 nan 4.420 nan 0.000 0.270 298 P C 0.084 177.393 177.300 0.015 0.000 1.223 298 P CA -0.122 63.000 63.100 0.036 0.000 0.785 298 P CB 0.833 32.554 31.700 0.035 0.000 0.923 299 L N 2.804 124.039 121.223 0.019 0.000 2.513 299 L HA 0.072 4.418 4.340 0.010 0.000 0.272 299 L C 1.343 178.200 176.870 -0.021 0.000 1.187 299 L CA 1.262 56.106 54.840 0.007 0.000 0.895 299 L CB -0.166 41.908 42.059 0.025 0.000 1.147 299 L HN 0.576 nan 8.230 nan 0.000 0.483 300 T N 1.260 115.779 114.554 -0.059 0.000 2.959 300 T HA 0.699 5.055 4.350 0.010 0.000 0.254 300 T C 0.330 175.027 174.700 -0.005 0.000 1.003 300 T CA 0.238 62.286 62.100 -0.086 0.000 0.950 300 T CB 0.244 68.925 68.868 -0.311 0.000 1.090 300 T HN 0.786 nan 8.240 nan 0.000 0.503 301 A N 0.328 123.165 122.820 0.028 0.000 2.605 301 A HA 0.699 5.025 4.320 0.010 0.000 0.294 301 A C -1.676 175.934 177.584 0.044 0.000 1.062 301 A CA -0.687 51.379 52.037 0.048 0.000 0.682 301 A CB 1.650 20.728 19.000 0.130 0.000 1.278 301 A HN 0.244 nan 8.150 nan 0.000 0.410 302 V N 1.052 120.916 119.914 -0.084 0.000 2.540 302 V HA 0.638 4.764 4.120 0.010 0.000 0.302 302 V C -1.448 174.384 176.094 -0.438 0.000 1.035 302 V CA -0.275 61.934 62.300 -0.152 0.000 0.873 302 V CB 1.503 33.186 31.823 -0.233 0.000 0.992 302 V HN 0.705 nan 8.190 nan 0.000 0.428 303 F N 3.200 123.013 119.950 -0.228 0.000 2.445 303 F HA 0.399 4.934 4.527 0.013 0.000 0.348 303 F C 0.325 175.857 175.800 -0.446 0.000 1.125 303 F CA -0.411 57.366 58.000 -0.373 0.000 0.983 303 F CB 1.031 39.874 39.000 -0.262 0.000 1.198 303 F HN 0.522 nan 8.300 nan 0.000 0.436 304 H N 2.568 121.282 119.070 -0.593 0.000 2.818 304 H HA 0.189 4.750 4.556 0.008 0.000 0.269 304 H C 0.152 175.211 175.328 -0.449 0.000 1.277 304 H CA -0.012 55.778 56.048 -0.429 0.000 1.290 304 H CB 1.136 30.668 29.762 -0.383 0.000 1.479 304 H HN 0.647 nan 8.280 nan 0.000 0.507 305 S N 3.156 118.551 115.700 -0.508 0.000 2.539 305 S HA 0.250 4.726 4.470 0.010 0.000 0.221 305 S C 0.673 175.143 174.600 -0.216 0.000 0.987 305 S CA -0.051 57.998 58.200 -0.251 0.000 0.929 305 S CB -0.017 63.163 63.200 -0.032 0.000 0.832 305 S HN 0.746 nan 8.310 nan 0.000 0.492 306 A N 0.865 123.467 122.820 -0.363 0.000 2.531 306 A HA 0.582 4.908 4.320 0.010 0.000 0.236 306 A C 0.692 178.179 177.584 -0.162 0.000 1.062 306 A CA 0.613 52.538 52.037 -0.186 0.000 0.760 306 A CB -0.358 18.599 19.000 -0.073 0.000 0.995 306 A HN 0.746 nan 8.150 nan 0.000 0.501 307 G N -0.459 108.321 108.800 -0.032 0.000 2.404 307 G HA2 0.608 4.574 3.960 0.010 0.000 0.298 307 G HA3 0.608 4.574 3.960 0.010 0.000 0.298 307 G C -1.013 173.926 174.900 0.064 0.000 1.577 307 G CA 0.078 45.195 45.100 0.030 0.000 0.847 307 G HN 2.081 nan 8.290 nan 0.000 0.598 308 V N -1.807 118.149 119.914 0.069 0.000 2.962 308 V HA 0.962 5.088 4.120 0.010 0.000 0.313 308 V C 0.569 176.657 176.094 -0.010 0.000 1.099 308 V CA -0.016 62.290 62.300 0.009 0.000 0.971 308 V CB 1.583 33.313 31.823 -0.154 0.000 1.028 308 V HN 2.161 nan 8.190 nan 0.000 0.430 309 A N 0.881 123.609 122.820 -0.153 0.000 2.390 309 A HA 0.336 4.661 4.320 0.010 0.000 0.225 309 A C 0.823 178.244 177.584 -0.272 0.000 1.232 309 A CA 0.239 52.016 52.037 -0.432 0.000 0.964 309 A CB -0.381 18.103 19.000 -0.861 0.000 1.064 309 A HN 1.184 nan 8.150 nan 0.000 0.525 310 H N -1.035 117.963 119.070 -0.121 0.000 2.603 310 H HA 0.349 4.911 4.556 0.010 0.000 0.370 310 H C -0.459 174.837 175.328 -0.054 0.000 1.225 310 H CA 0.791 56.788 56.048 -0.084 0.000 1.410 310 H CB 0.423 30.150 29.762 -0.059 0.000 1.495 310 H HN 0.100 nan 8.280 nan 0.000 0.602 311 D N -0.368 120.084 120.400 0.088 0.000 2.870 311 D HA -0.165 4.481 4.640 0.010 0.000 0.228 311 D C -0.494 175.789 176.300 -0.029 0.000 1.147 311 D CA 1.168 55.193 54.000 0.041 0.000 0.757 311 D CB -0.663 40.188 40.800 0.086 0.000 1.091 311 D HN 0.622 nan 8.370 nan 0.000 0.429 312 D N -0.724 119.654 120.400 -0.037 0.000 2.451 312 D HA 0.802 5.448 4.640 0.010 0.000 0.259 312 D C -0.015 176.272 176.300 -0.021 0.000 1.201 312 D CA 0.411 54.392 54.000 -0.031 0.000 1.028 312 D CB 1.143 41.924 40.800 -0.032 0.000 1.095 312 D HN 0.193 nan 8.370 nan 0.000 0.539 313 A N 0.287 123.096 122.820 -0.019 0.000 2.601 313 A HA 0.575 4.901 4.320 0.010 0.000 0.291 313 A C -2.791 174.782 177.584 -0.018 0.000 1.075 313 A CA -1.130 50.896 52.037 -0.018 0.000 0.671 313 A CB 1.035 20.024 19.000 -0.018 0.000 1.277 313 A HN 0.352 nan 8.150 nan 0.000 0.417 314 P HA 0.131 nan 4.420 nan 0.000 0.267 314 P C 1.212 178.512 177.300 -0.000 0.000 1.201 314 P CA -0.037 63.050 63.100 -0.022 0.000 0.775 314 P CB 0.454 32.140 31.700 -0.023 0.000 0.854 315 V N 2.271 122.192 119.914 0.011 0.000 2.380 315 V HA -0.324 3.802 4.120 0.010 0.000 0.251 315 V C 2.273 178.409 176.094 0.070 0.000 1.063 315 V CA 2.725 65.051 62.300 0.044 0.000 1.055 315 V CB -1.618 30.258 31.823 0.089 0.000 0.657 315 V HN 0.703 nan 8.190 nan 0.000 0.455 316 A N -0.858 122.040 122.820 0.130 0.000 2.121 316 A HA -0.175 4.150 4.320 0.010 0.000 0.218 316 A C 1.792 179.393 177.584 0.028 0.000 1.154 316 A CA 1.878 53.969 52.037 0.091 0.000 0.679 316 A CB -0.269 18.810 19.000 0.132 0.000 0.795 316 A HN 0.612 nan 8.150 nan 0.000 0.458 317 D N -1.860 118.548 120.400 0.014 0.000 2.473 317 D HA 0.138 4.784 4.640 0.010 0.000 0.242 317 D C 0.299 176.586 176.300 -0.021 0.000 1.106 317 D CA -0.351 53.646 54.000 -0.006 0.000 0.854 317 D CB -0.146 40.651 40.800 -0.005 0.000 1.192 317 D HN 0.320 nan 8.370 nan 0.000 0.503 318 L N 2.758 123.968 121.223 -0.022 0.000 2.578 318 L HA 0.077 4.423 4.340 0.010 0.000 0.279 318 L C 0.569 177.403 176.870 -0.061 0.000 1.227 318 L CA 0.535 55.352 54.840 -0.038 0.000 0.900 318 L CB 0.303 42.342 42.059 -0.033 0.000 1.144 318 L HN 0.014 nan 8.230 nan 0.000 0.496 319 T N 2.246 116.755 114.554 -0.075 0.000 2.934 319 T HA 0.359 4.714 4.350 0.010 0.000 0.283 319 T C 1.463 176.055 174.700 -0.180 0.000 1.005 319 T CA -0.792 61.240 62.100 -0.112 0.000 1.041 319 T CB 0.798 69.611 68.868 -0.091 0.000 1.042 319 T HN 0.586 nan 8.240 nan 0.000 0.505 320 L N 1.370 122.420 121.223 -0.288 0.000 2.083 320 L HA 0.066 4.412 4.340 0.010 0.000 0.209 320 L C 2.944 179.462 176.870 -0.588 0.000 1.083 320 L CA 1.584 56.094 54.840 -0.549 0.000 0.752 320 L CB -1.050 40.447 42.059 -0.938 0.000 0.899 320 L HN 0.987 nan 8.230 nan 0.000 0.433 321 G N -0.931 107.659 108.800 -0.349 0.000 2.422 321 G HA2 -0.210 3.756 3.960 0.010 0.000 0.218 321 G HA3 -0.210 3.756 3.960 0.010 0.000 0.218 321 G C 1.521 176.367 174.900 -0.090 0.000 1.140 321 G CA 0.177 45.201 45.100 -0.126 0.000 0.775 321 G HN 0.377 nan 8.290 nan 0.000 0.545 322 Q N -0.721 119.022 119.800 -0.094 0.000 2.084 322 Q HA -0.046 4.300 4.340 0.010 0.000 0.202 322 Q C 2.459 178.413 176.000 -0.078 0.000 0.978 322 Q CA 1.028 56.789 55.803 -0.069 0.000 0.844 322 Q CB -0.246 28.457 28.738 -0.058 0.000 0.898 322 Q HN 0.421 nan 8.270 nan 0.000 0.426 323 L N 1.150 122.307 121.223 -0.110 0.000 2.046 323 L HA -0.198 4.148 4.340 0.010 0.000 0.208 323 L C 1.653 178.477 176.870 -0.078 0.000 1.077 323 L CA 2.108 56.893 54.840 -0.090 0.000 0.747 323 L CB -0.542 41.447 42.059 -0.117 0.000 0.896 323 L HN 0.146 nan 8.230 nan 0.000 0.432 324 D N -0.765 119.576 120.400 -0.099 0.000 2.104 324 D HA -0.199 4.447 4.640 0.010 0.000 0.194 324 D C 2.148 178.437 176.300 -0.020 0.000 0.994 324 D CA 1.487 55.466 54.000 -0.035 0.000 0.830 324 D CB -0.040 40.779 40.800 0.032 0.000 0.959 324 D HN 0.454 nan 8.370 nan 0.000 0.452 325 A N -0.277 122.528 122.820 -0.025 0.000 1.972 325 A HA -0.082 4.244 4.320 0.010 0.000 0.219 325 A C 2.267 179.826 177.584 -0.041 0.000 1.169 325 A CA 0.919 52.941 52.037 -0.026 0.000 0.635 325 A CB -0.663 18.317 19.000 -0.033 0.000 0.810 325 A HN 0.355 nan 8.150 nan 0.000 0.446 326 L N -1.077 120.121 121.223 -0.042 0.000 2.131 326 L HA -0.100 4.246 4.340 0.010 0.000 0.206 326 L C 2.551 179.422 176.870 0.002 0.000 1.087 326 L CA 0.695 55.526 54.840 -0.015 0.000 0.767 326 L CB -0.318 41.748 42.059 0.012 0.000 0.917 326 L HN 0.316 nan 8.230 nan 0.000 0.441 327 M N -0.810 118.780 119.600 -0.017 0.000 2.419 327 M HA -0.113 4.372 4.480 0.010 0.000 0.264 327 M C 2.234 178.513 176.300 -0.035 0.000 1.082 327 M CA 1.155 56.435 55.300 -0.033 0.000 1.119 327 M CB -1.029 31.538 32.600 -0.056 0.000 1.398 327 M HN 0.243 nan 8.290 nan 0.000 0.453 328 R N 0.969 121.459 120.500 -0.017 0.000 2.080 328 R HA -0.118 4.227 4.340 0.010 0.000 0.236 328 R C 1.845 178.152 176.300 0.012 0.000 1.137 328 R CA 1.994 58.089 56.100 -0.008 0.000 0.943 328 R CB -0.180 30.127 30.300 0.012 0.000 0.846 328 R HN 0.299 nan 8.270 nan 0.000 0.431 329 A N 0.118 122.963 122.820 0.042 0.000 2.235 329 A HA 0.023 4.349 4.320 0.010 0.000 0.208 329 A C 1.377 179.064 177.584 0.171 0.000 1.172 329 A CA 0.557 52.652 52.037 0.097 0.000 0.786 329 A CB 0.044 19.086 19.000 0.070 0.000 0.804 329 A HN 0.221 nan 8.150 nan 0.000 0.479 330 K N -1.031 119.431 120.400 0.103 0.000 2.290 330 K HA 0.248 4.573 4.320 0.010 0.000 0.225 330 K C 1.834 178.480 176.600 0.076 0.000 1.060 330 K CA 0.430 56.806 56.287 0.148 0.000 0.903 330 K CB -0.978 31.566 32.500 0.074 0.000 1.158 330 K HN 0.377 nan 8.250 nan 0.000 0.460 331 L N 1.729 122.873 121.223 -0.131 0.000 1.988 331 L HA -0.147 4.199 4.340 0.010 0.000 0.207 331 L C 2.245 178.914 176.870 -0.334 0.000 1.071 331 L CA 1.741 56.275 54.840 -0.510 0.000 0.744 331 L CB -0.533 41.117 42.059 -0.681 0.000 0.893 331 L HN 0.189 nan 8.230 nan 0.000 0.433 332 T N 0.066 114.468 114.554 -0.254 0.000 2.708 332 T HA -0.154 4.202 4.350 0.010 0.000 0.266 332 T C 1.839 176.291 174.700 -0.414 0.000 1.037 332 T CA 1.379 63.284 62.100 -0.324 0.000 1.146 332 T CB -0.424 68.323 68.868 -0.202 0.000 0.865 332 T HN 0.551 nan 8.240 nan 0.000 0.435 333 A N 1.261 123.979 122.820 -0.169 0.000 1.898 333 A HA 0.266 4.591 4.320 0.010 0.000 0.216 333 A C 2.595 180.079 177.584 -0.168 0.000 1.181 333 A CA 1.653 53.639 52.037 -0.086 0.000 0.620 333 A CB -0.979 18.061 19.000 0.066 0.000 0.819 333 A HN 0.497 nan 8.150 nan 0.000 0.442 334 A N -0.567 122.161 122.820 -0.153 0.000 1.968 334 A HA -0.073 4.253 4.320 0.010 0.000 0.217 334 A C 2.223 179.894 177.584 0.145 0.000 1.169 334 A CA 1.258 53.248 52.037 -0.079 0.000 0.638 334 A CB -0.395 18.665 19.000 0.101 0.000 0.812 334 A HN 0.512 nan 8.150 nan 0.000 0.446 335 R N -1.128 119.420 120.500 0.080 0.000 2.066 335 R HA -0.126 4.220 4.340 0.010 0.000 0.232 335 R C 2.040 178.425 176.300 0.143 0.000 1.131 335 R CA 1.786 57.961 56.100 0.126 0.000 0.955 335 R CB -0.501 29.776 30.300 -0.039 0.000 0.851 335 R HN 0.789 nan 8.270 nan 0.000 0.432 336 H N 0.151 119.272 119.070 0.085 0.000 2.352 336 H HA -0.136 4.426 4.556 0.010 0.000 0.299 336 H C 2.211 177.582 175.328 0.072 0.000 1.097 336 H CA 1.313 57.395 56.048 0.057 0.000 1.311 336 H CB -0.046 29.733 29.762 0.028 0.000 1.377 336 H HN 0.108 nan 8.280 nan 0.000 0.504 337 L N -0.305 121.045 121.223 0.212 0.000 2.046 337 L HA -0.219 4.127 4.340 0.010 0.000 0.208 337 L C 2.633 179.699 176.870 0.326 0.000 1.077 337 L CA 1.463 56.443 54.840 0.234 0.000 0.747 337 L CB -0.371 41.772 42.059 0.139 0.000 0.896 337 L HN 0.389 nan 8.230 nan 0.000 0.432 338 H N 0.314 119.529 119.070 0.241 0.000 2.293 338 H HA -0.174 4.388 4.556 0.010 0.000 0.300 338 H C 2.103 177.404 175.328 -0.045 0.000 1.082 338 H CA 2.059 58.076 56.048 -0.051 0.000 1.308 338 H CB 0.081 29.835 29.762 -0.014 0.000 1.375 338 H HN 0.298 nan 8.280 nan 0.000 0.495 339 E N -0.086 120.013 120.200 -0.168 0.000 2.107 339 E HA -0.064 4.291 4.350 0.010 0.000 0.191 339 E C 2.091 178.604 176.600 -0.145 0.000 0.982 339 E CA 1.006 57.271 56.400 -0.225 0.000 0.809 339 E CB 0.098 29.797 29.700 -0.002 0.000 0.756 339 E HN 0.487 nan 8.360 nan 0.000 0.459 340 L N 0.509 121.706 121.223 -0.044 0.000 2.554 340 L HA 0.008 4.354 4.340 0.010 0.000 0.226 340 L C 2.170 179.018 176.870 -0.037 0.000 1.137 340 L CA 1.018 55.840 54.840 -0.029 0.000 0.863 340 L CB -0.139 41.925 42.059 0.009 0.000 0.985 340 L HN 0.248 nan 8.230 nan 0.000 0.451 341 T N -5.172 109.347 114.554 -0.060 0.000 3.010 341 T HA 0.253 4.608 4.350 0.010 0.000 0.257 341 T C 1.800 176.420 174.700 -0.133 0.000 1.020 341 T CA 0.450 62.520 62.100 -0.048 0.000 0.938 341 T CB 0.506 69.407 68.868 0.055 0.000 1.049 341 T HN 0.115 nan 8.240 nan 0.000 0.522 342 A N 2.680 125.355 122.820 -0.241 0.000 1.903 342 A HA -0.159 4.167 4.320 0.010 0.000 0.219 342 A C 1.934 179.431 177.584 -0.144 0.000 1.191 342 A CA 1.993 53.870 52.037 -0.266 0.000 0.638 342 A CB -0.835 17.959 19.000 -0.345 0.000 0.823 342 A HN 0.501 nan 8.150 nan 0.000 0.451 343 D N -0.917 119.417 120.400 -0.109 0.000 2.336 343 D HA 0.148 4.794 4.640 0.010 0.000 0.229 343 D C 0.858 177.132 176.300 -0.043 0.000 1.061 343 D CA 0.325 54.285 54.000 -0.066 0.000 0.875 343 D CB 0.208 40.975 40.800 -0.055 0.000 0.904 343 D HN 0.336 nan 8.370 nan 0.000 0.525 344 L N -0.043 121.155 121.223 -0.040 0.000 2.607 344 L HA 0.079 4.425 4.340 0.010 0.000 0.228 344 L C 0.321 177.188 176.870 -0.006 0.000 1.123 344 L CA 0.162 54.993 54.840 -0.015 0.000 0.890 344 L CB -0.114 41.942 42.059 -0.004 0.000 1.103 344 L HN -0.159 nan 8.230 nan 0.000 0.468 345 D N 0.212 120.601 120.400 -0.018 0.000 2.699 345 D HA -0.215 4.431 4.640 0.010 0.000 0.239 345 D C 0.019 176.328 176.300 0.016 0.000 1.136 345 D CA 0.391 54.388 54.000 -0.004 0.000 0.668 345 D CB -0.906 39.897 40.800 0.006 0.000 1.060 345 D HN 0.127 nan 8.370 nan 0.000 0.429 346 L N -0.003 121.229 121.223 0.015 0.000 2.482 346 L HA 0.088 4.434 4.340 0.010 0.000 0.273 346 L C 1.724 178.623 176.870 0.048 0.000 1.228 346 L CA -0.240 54.623 54.840 0.039 0.000 0.827 346 L CB 0.296 42.397 42.059 0.070 0.000 1.099 346 L HN -0.001 nan 8.230 nan 0.000 0.494 347 D N 0.569 121.006 120.400 0.062 0.000 2.249 347 D HA 0.148 4.794 4.640 0.010 0.000 0.205 347 D C 0.297 176.635 176.300 0.063 0.000 0.962 347 D CA 0.734 54.780 54.000 0.077 0.000 0.860 347 D CB 0.435 41.305 40.800 0.117 0.000 0.955 347 D HN 0.546 nan 8.370 nan 0.000 0.505 348 A N -0.154 122.693 122.820 0.046 0.000 2.520 348 A HA 0.580 4.905 4.320 0.010 0.000 0.298 348 A C -1.866 175.722 177.584 0.006 0.000 1.051 348 A CA -0.634 51.397 52.037 -0.009 0.000 0.690 348 A CB 1.289 20.238 19.000 -0.086 0.000 1.281 348 A HN 0.015 nan 8.150 nan 0.000 0.402 349 F N 2.773 122.603 119.950 -0.199 0.000 2.949 349 F HA 0.535 5.065 4.527 0.005 0.000 0.376 349 F C -1.293 174.370 175.800 -0.229 0.000 1.205 349 F CA -0.378 57.504 58.000 -0.196 0.000 1.155 349 F CB 1.390 40.333 39.000 -0.095 0.000 1.495 349 F HN 0.371 nan 8.300 nan 0.000 0.551 350 V N 6.569 126.128 119.914 -0.592 0.000 2.370 350 V HA 0.455 4.581 4.120 0.010 0.000 0.283 350 V C -0.153 175.680 176.094 -0.436 0.000 1.023 350 V CA -0.652 61.373 62.300 -0.459 0.000 0.857 350 V CB 1.544 32.970 31.823 -0.660 0.000 0.985 350 V HN 0.537 nan 8.190 nan 0.000 0.443 351 L N 4.817 125.929 121.223 -0.185 0.000 2.322 351 L HA 0.590 4.935 4.340 0.010 0.000 0.281 351 L C -0.983 175.978 176.870 0.151 0.000 1.014 351 L CA -0.472 54.317 54.840 -0.085 0.000 0.815 351 L CB 1.671 43.717 42.059 -0.022 0.000 1.247 351 L HN 0.416 nan 8.230 nan 0.000 0.421 352 F N 1.677 121.608 119.950 -0.031 0.000 2.335 352 F HA 0.340 4.871 4.527 0.006 0.000 0.365 352 F C 0.836 176.609 175.800 -0.046 0.000 1.122 352 F CA -0.434 57.551 58.000 -0.026 0.000 1.151 352 F CB 0.962 40.073 39.000 0.185 0.000 1.282 352 F HN 0.440 nan 8.300 nan 0.000 0.513 353 S N 2.074 117.802 115.700 0.046 0.000 2.566 353 S HA 0.727 5.203 4.470 0.010 0.000 0.277 353 S C -0.104 174.459 174.600 -0.061 0.000 1.150 353 S CA -0.216 57.951 58.200 -0.055 0.000 1.032 353 S CB 1.278 64.419 63.200 -0.099 0.000 1.157 353 S HN 0.570 nan 8.310 nan 0.000 0.507 354 S N -2.001 113.605 115.700 -0.156 0.000 2.570 354 S HA 0.544 5.020 4.470 0.010 0.000 0.270 354 S C 0.769 175.166 174.600 -0.339 0.000 1.149 354 S CA -0.025 58.100 58.200 -0.125 0.000 0.837 354 S CB 0.837 63.962 63.200 -0.125 0.000 1.124 354 S HN 0.928 nan 8.310 nan 0.000 0.465 355 G N 1.694 110.202 108.800 -0.486 0.000 2.448 355 G HA2 -0.013 3.953 3.960 0.010 0.000 0.219 355 G HA3 -0.013 3.953 3.960 0.010 0.000 0.219 355 G C 1.526 175.678 174.900 -1.247 0.000 1.127 355 G CA 1.051 45.238 45.100 -1.521 0.000 0.766 355 G HN 1.125 nan 8.290 nan 0.000 0.552 356 A N 1.028 123.572 122.820 -0.460 0.000 1.948 356 A HA 0.167 4.492 4.320 0.010 0.000 0.220 356 A C 2.708 180.155 177.584 -0.229 0.000 1.177 356 A CA 2.335 54.246 52.037 -0.210 0.000 0.636 356 A CB -0.545 18.516 19.000 0.101 0.000 0.815 356 A HN 0.793 nan 8.150 nan 0.000 0.449 357 A N -1.397 121.255 122.820 -0.280 0.000 2.081 357 A HA 0.296 4.622 4.320 0.010 0.000 0.214 357 A C 2.067 179.556 177.584 -0.157 0.000 1.158 357 A CA 1.247 53.180 52.037 -0.174 0.000 0.724 357 A CB -0.258 18.645 19.000 -0.161 0.000 0.826 357 A HN 0.312 nan 8.150 nan 0.000 0.463 358 V N -1.744 117.979 119.914 -0.317 0.000 2.426 358 V HA -0.120 4.006 4.120 0.010 0.000 0.242 358 V C 2.109 178.217 176.094 0.023 0.000 1.036 358 V CA 1.779 63.978 62.300 -0.168 0.000 1.044 358 V CB -0.606 31.085 31.823 -0.220 0.000 0.688 358 V HN 0.979 nan 8.190 nan 0.000 0.462 359 W N -0.012 121.343 121.300 0.092 0.000 2.842 359 W HA 0.673 5.336 4.660 0.006 0.000 0.267 359 W C 0.749 177.468 176.519 0.334 0.000 1.219 359 W CA 0.160 57.600 57.345 0.158 0.000 1.458 359 W CB -0.267 29.190 29.460 -0.004 0.000 1.006 359 W HN 0.286 nan 8.180 nan 0.000 0.603 360 G N 1.073 109.994 108.800 0.202 0.000 2.784 360 G HA2 0.204 4.170 3.960 0.010 0.000 0.686 360 G HA3 0.204 4.170 3.960 0.010 0.000 0.686 360 G C -0.835 174.279 174.900 0.357 0.000 1.156 360 G CA -0.478 44.762 45.100 0.233 0.000 0.757 360 G HN 0.258 nan 8.290 nan 0.000 0.642 361 S N 0.572 116.387 115.700 0.191 0.000 2.647 361 S HA 0.756 5.231 4.470 0.010 0.000 0.300 361 S C 0.711 175.358 174.600 0.079 0.000 1.129 361 S CA -0.020 58.296 58.200 0.193 0.000 1.029 361 S CB 1.799 65.110 63.200 0.184 0.000 1.007 361 S HN 1.796 nan 8.310 nan 0.000 0.484 362 G N 0.702 109.522 108.800 0.034 0.000 2.432 362 G HA2 0.428 4.394 3.960 0.010 0.000 0.239 362 G HA3 0.428 4.394 3.960 0.010 0.000 0.239 362 G C 1.136 176.025 174.900 -0.018 0.000 1.291 362 G CA 0.318 45.397 45.100 -0.034 0.000 0.863 362 G HN 1.559 nan 8.290 nan 0.000 0.560 363 G N 0.612 109.389 108.800 -0.039 0.000 2.179 363 G HA2 -0.255 3.711 3.960 0.010 0.000 0.260 363 G HA3 -0.255 3.711 3.960 0.010 0.000 0.260 363 G C 0.591 175.486 174.900 -0.009 0.000 0.977 363 G CA 0.630 45.714 45.100 -0.027 0.000 0.641 363 G HN 0.825 nan 8.290 nan 0.000 0.533 364 Q N -0.156 119.652 119.800 0.014 0.000 2.318 364 Q HA 0.177 4.523 4.340 0.010 0.000 0.371 364 Q C -1.547 174.494 176.000 0.068 0.000 0.896 364 Q CA -1.098 54.737 55.803 0.054 0.000 1.134 364 Q CB 1.690 30.492 28.738 0.107 0.000 1.329 364 Q HN 0.430 nan 8.270 nan 0.000 0.413 365 P HA -0.188 nan 4.420 nan 0.000 0.215 365 P C 1.334 178.653 177.300 0.031 0.000 1.157 365 P CA 1.660 64.763 63.100 0.005 0.000 0.868 365 P CB 0.159 31.845 31.700 -0.022 0.000 0.788 366 G N -1.154 107.670 108.800 0.039 0.000 2.402 366 G HA2 -0.290 3.676 3.960 0.010 0.000 0.216 366 G HA3 -0.290 3.676 3.960 0.010 0.000 0.216 366 G C 1.658 176.612 174.900 0.090 0.000 1.162 366 G CA 0.485 45.609 45.100 0.040 0.000 0.777 366 G HN 0.200 nan 8.290 nan 0.000 0.539 367 Y N 2.053 122.335 120.300 -0.030 0.000 2.293 367 Y HA 0.114 4.671 4.550 0.012 0.000 0.291 367 Y C 2.822 178.715 175.900 -0.011 0.000 1.137 367 Y CA 0.862 58.949 58.100 -0.022 0.000 1.202 367 Y CB -0.290 38.155 38.460 -0.025 0.000 0.990 367 Y HN 0.244 nan 8.280 nan 0.000 0.537 368 A N 0.304 123.153 122.820 0.047 0.000 1.898 368 A HA -0.078 4.248 4.320 0.010 0.000 0.216 368 A C 2.446 180.008 177.584 -0.036 0.000 1.181 368 A CA 1.813 53.825 52.037 -0.042 0.000 0.620 368 A CB -1.429 17.575 19.000 0.008 0.000 0.819 368 A HN 0.542 nan 8.150 nan 0.000 0.442 369 A N -0.093 122.732 122.820 0.008 0.000 1.877 369 A HA 0.168 4.493 4.320 0.010 0.000 0.216 369 A C 2.524 180.131 177.584 0.037 0.000 1.186 369 A CA 2.131 54.192 52.037 0.040 0.000 0.620 369 A CB -1.075 17.951 19.000 0.043 0.000 0.822 369 A HN 1.046 nan 8.150 nan 0.000 0.443 370 A N 0.231 123.049 122.820 -0.003 0.000 1.877 370 A HA -0.210 4.116 4.320 0.010 0.000 0.216 370 A C 1.984 179.566 177.584 -0.003 0.000 1.186 370 A CA 1.733 53.769 52.037 -0.001 0.000 0.620 370 A CB -0.658 18.329 19.000 -0.022 0.000 0.822 370 A HN 0.584 nan 8.150 nan 0.000 0.443 371 N N 0.133 118.751 118.700 -0.138 0.000 2.244 371 N HA -0.069 4.677 4.740 0.010 0.000 0.183 371 N C 1.891 177.369 175.510 -0.053 0.000 1.016 371 N CA 1.248 54.210 53.050 -0.147 0.000 0.866 371 N CB -0.355 37.923 38.487 -0.347 0.000 0.980 371 N HN 0.477 nan 8.380 nan 0.000 0.430 372 A N 0.498 123.307 122.820 -0.019 0.000 1.972 372 A HA -0.186 4.140 4.320 0.010 0.000 0.219 372 A C 2.037 179.645 177.584 0.039 0.000 1.169 372 A CA 0.854 52.904 52.037 0.021 0.000 0.635 372 A CB -0.844 18.204 19.000 0.081 0.000 0.810 372 A HN 0.418 nan 8.150 nan 0.000 0.446 373 Y N 0.783 121.076 120.300 -0.010 0.000 2.165 373 Y HA -0.222 4.338 4.550 0.016 0.000 0.286 373 Y C 1.901 177.793 175.900 -0.013 0.000 1.155 373 Y CA 1.898 59.992 58.100 -0.009 0.000 1.164 373 Y CB -0.306 38.148 38.460 -0.009 0.000 0.978 373 Y HN 0.246 nan 8.280 nan 0.000 0.513 374 L N -0.154 121.064 121.223 -0.009 0.000 1.989 374 L HA -0.279 4.067 4.340 0.010 0.000 0.211 374 L C 2.240 179.038 176.870 -0.119 0.000 1.071 374 L CA 1.771 56.580 54.840 -0.052 0.000 0.749 374 L CB -0.782 41.306 42.059 0.048 0.000 0.890 374 L HN 0.237 nan 8.230 nan 0.000 0.431 375 D N 0.246 120.591 120.400 -0.092 0.000 2.123 375 D HA -0.176 4.469 4.640 0.010 0.000 0.196 375 D C 2.191 178.418 176.300 -0.121 0.000 0.992 375 D CA 1.642 55.591 54.000 -0.084 0.000 0.833 375 D CB 0.013 40.775 40.800 -0.062 0.000 0.954 375 D HN 0.370 nan 8.370 nan 0.000 0.455 376 A N 0.949 123.661 122.820 -0.180 0.000 1.898 376 A HA -0.112 4.214 4.320 0.010 0.000 0.216 376 A C 2.182 179.617 177.584 -0.248 0.000 1.181 376 A CA 0.762 52.674 52.037 -0.208 0.000 0.620 376 A CB -0.656 18.210 19.000 -0.223 0.000 0.819 376 A HN 0.210 nan 8.150 nan 0.000 0.442 377 L N -0.090 120.889 121.223 -0.407 0.000 2.083 377 L HA -0.083 4.263 4.340 0.010 0.000 0.209 377 L C 2.607 179.393 176.870 -0.140 0.000 1.083 377 L CA 2.106 56.740 54.840 -0.344 0.000 0.752 377 L CB -0.715 41.077 42.059 -0.445 0.000 0.899 377 L HN 0.343 nan 8.230 nan 0.000 0.433 378 A N -0.957 121.813 122.820 -0.083 0.000 1.933 378 A HA -0.170 4.156 4.320 0.010 0.000 0.218 378 A C 2.163 179.717 177.584 -0.049 0.000 1.175 378 A CA 1.645 53.670 52.037 -0.020 0.000 0.628 378 A CB -0.511 18.489 19.000 0.000 0.000 0.814 378 A HN 0.533 nan 8.150 nan 0.000 0.444 379 E N -0.840 119.321 120.200 -0.063 0.000 2.072 379 E HA -0.183 4.173 4.350 0.010 0.000 0.191 379 E C 1.911 178.468 176.600 -0.072 0.000 0.985 379 E CA 1.120 57.480 56.400 -0.067 0.000 0.801 379 E CB -0.583 29.071 29.700 -0.077 0.000 0.750 379 E HN 0.855 nan 8.360 nan 0.000 0.452 380 H N 1.347 120.315 119.070 -0.170 0.000 2.353 380 H HA -0.034 4.529 4.556 0.012 0.000 0.300 380 H C 2.075 177.302 175.328 -0.168 0.000 1.090 380 H CA 1.451 57.394 56.048 -0.174 0.000 1.327 380 H CB 0.267 29.899 29.762 -0.216 0.000 1.383 380 H HN 0.026 nan 8.280 nan 0.000 0.508 381 R N -0.071 120.286 120.500 -0.238 0.000 2.081 381 R HA -0.083 4.263 4.340 0.010 0.000 0.235 381 R C 2.645 178.820 176.300 -0.208 0.000 1.131 381 R CA 0.847 56.791 56.100 -0.261 0.000 0.960 381 R CB 0.011 30.184 30.300 -0.211 0.000 0.856 381 R HN 0.270 nan 8.270 nan 0.000 0.436 382 R N 0.492 120.902 120.500 -0.149 0.000 2.091 382 R HA -0.117 4.229 4.340 0.010 0.000 0.238 382 R C 2.381 178.598 176.300 -0.138 0.000 1.136 382 R CA 1.877 57.910 56.100 -0.112 0.000 0.959 382 R CB -0.832 29.422 30.300 -0.076 0.000 0.856 382 R HN 0.331 nan 8.270 nan 0.000 0.437 383 S N 0.702 116.289 115.700 -0.187 0.000 2.442 383 S HA -0.065 4.411 4.470 0.010 0.000 0.236 383 S C 1.939 176.423 174.600 -0.194 0.000 1.007 383 S CA 0.846 58.934 58.200 -0.186 0.000 0.965 383 S CB -0.337 62.743 63.200 -0.200 0.000 0.773 383 S HN 0.296 nan 8.310 nan 0.000 0.504 384 L N 0.740 121.821 121.223 -0.237 0.000 2.591 384 L HA 0.351 4.697 4.340 0.010 0.000 0.228 384 L C 1.837 178.638 176.870 -0.113 0.000 1.133 384 L CA 0.308 55.043 54.840 -0.175 0.000 0.880 384 L CB -0.644 41.303 42.059 -0.186 0.000 1.033 384 L HN 0.583 nan 8.230 nan 0.000 0.450 385 G N 0.514 109.251 108.800 -0.105 0.000 2.141 385 G HA2 -0.248 3.718 3.960 0.010 0.000 0.242 385 G HA3 -0.248 3.718 3.960 0.010 0.000 0.242 385 G C 0.045 174.903 174.900 -0.069 0.000 0.982 385 G CA -0.225 44.830 45.100 -0.074 0.000 0.662 385 G HN 0.214 nan 8.290 nan 0.000 0.527 386 L N 0.593 121.764 121.223 -0.087 0.000 2.334 386 L HA 0.622 4.967 4.340 0.010 0.000 0.275 386 L C 1.123 177.949 176.870 -0.074 0.000 1.036 386 L CA -0.727 54.060 54.840 -0.088 0.000 0.807 386 L CB 1.723 43.709 42.059 -0.121 0.000 1.231 386 L HN 0.148 nan 8.230 nan 0.000 0.438 387 T N 1.650 116.176 114.554 -0.048 0.000 2.930 387 T HA 0.548 4.904 4.350 0.010 0.000 0.306 387 T C -0.315 174.394 174.700 0.015 0.000 1.045 387 T CA -0.102 61.994 62.100 -0.008 0.000 1.134 387 T CB 0.368 69.249 68.868 0.021 0.000 0.961 387 T HN 0.765 nan 8.240 nan 0.000 0.545 388 A N 3.071 125.919 122.820 0.048 0.000 2.594 388 A HA 0.646 4.971 4.320 0.010 0.000 0.296 388 A C -0.677 176.950 177.584 0.071 0.000 1.056 388 A CA -0.697 51.419 52.037 0.131 0.000 0.693 388 A CB 1.167 20.238 19.000 0.118 0.000 1.278 388 A HN 1.122 nan 8.150 nan 0.000 0.408 389 S N 0.163 115.901 115.700 0.063 0.000 2.540 389 S HA 0.851 5.327 4.470 0.010 0.000 0.275 389 S C -0.521 174.081 174.600 0.003 0.000 1.123 389 S CA -0.065 58.145 58.200 0.017 0.000 0.907 389 S CB 1.584 64.787 63.200 0.005 0.000 1.081 389 S HN 2.054 nan 8.310 nan 0.000 0.476 390 S N 0.702 116.395 115.700 -0.011 0.000 2.519 390 S HA 0.704 5.180 4.470 0.010 0.000 0.309 390 S C -0.783 173.767 174.600 -0.083 0.000 1.100 390 S CA -0.759 57.423 58.200 -0.029 0.000 1.059 390 S CB 1.003 64.183 63.200 -0.033 0.000 1.008 390 S HN 0.814 nan 8.310 nan 0.000 0.478 391 V N 2.677 122.502 119.914 -0.150 0.000 2.313 391 V HA 0.706 4.832 4.120 0.010 0.000 0.278 391 V C 0.370 176.143 176.094 -0.535 0.000 1.017 391 V CA -0.718 61.330 62.300 -0.421 0.000 0.823 391 V CB 0.747 32.133 31.823 -0.728 0.000 1.010 391 V HN 1.119 nan 8.190 nan 0.000 0.443 392 A N 5.491 128.104 122.820 -0.345 0.000 2.478 392 A HA 0.547 4.873 4.320 0.010 0.000 0.327 392 A C -0.442 177.068 177.584 -0.123 0.000 1.431 392 A CA -0.503 51.395 52.037 -0.232 0.000 1.014 392 A CB -0.088 18.802 19.000 -0.183 0.000 1.143 392 A HN 0.826 nan 8.150 nan 0.000 0.532 393 W N 2.023 123.331 121.300 0.013 0.000 2.158 393 W HA 0.410 5.082 4.660 0.020 0.000 0.339 393 W C 1.276 177.864 176.519 0.116 0.000 1.294 393 W CA 0.306 57.715 57.345 0.107 0.000 1.231 393 W CB 0.856 30.411 29.460 0.158 0.000 1.143 393 W HN 0.817 nan 8.180 nan 0.000 0.571 394 G N 0.943 110.031 108.800 0.479 0.000 2.751 394 G HA2 0.148 4.114 3.960 0.010 0.000 0.187 394 G HA3 0.148 4.114 3.960 0.010 0.000 0.187 394 G C -0.483 174.615 174.900 0.330 0.000 1.733 394 G CA 0.236 45.568 45.100 0.386 0.000 0.898 394 G HN 0.359 nan 8.290 nan 0.000 0.408 395 T N 0.244 114.944 114.554 0.244 0.000 2.807 395 T HA 0.396 4.752 4.350 0.010 0.000 0.279 395 T C -1.514 173.309 174.700 0.205 0.000 0.993 395 T CA -0.258 61.963 62.100 0.202 0.000 0.970 395 T CB 1.692 70.615 68.868 0.092 0.000 0.950 395 T HN 0.272 nan 8.240 nan 0.000 0.441 396 W N 2.020 123.283 121.300 -0.061 0.000 2.365 396 W HA 0.606 5.270 4.660 0.007 0.000 0.316 396 W C 0.890 177.383 176.519 -0.043 0.000 1.164 396 W CA -0.212 57.066 57.345 -0.111 0.000 1.204 396 W CB 0.785 30.108 29.460 -0.229 0.000 1.213 396 W HN 0.862 nan 8.180 nan 0.000 0.539 397 G N 1.073 109.934 108.800 0.101 0.000 2.562 397 G HA2 0.404 4.370 3.960 0.010 0.000 0.275 397 G HA3 0.404 4.370 3.960 0.010 0.000 0.275 397 G C 0.085 175.051 174.900 0.111 0.000 1.196 397 G CA 0.133 45.294 45.100 0.100 0.000 0.908 397 G HN 0.707 nan 8.290 nan 0.000 0.524 398 E N -2.888 117.352 120.200 0.065 0.000 4.795 398 E HA -0.283 4.073 4.350 0.010 0.000 0.162 398 E C 0.596 177.229 176.600 0.054 0.000 1.142 398 E CA 1.833 58.257 56.400 0.041 0.000 2.419 398 E CB -1.554 28.159 29.700 0.023 0.000 1.740 398 E HN 0.971 nan 8.360 nan 0.000 0.493 399 V N -2.817 117.160 119.914 0.105 0.000 3.040 399 V HA 0.881 5.007 4.120 0.010 0.000 0.312 399 V C 0.374 176.476 176.094 0.013 0.000 1.115 399 V CA 0.258 62.588 62.300 0.049 0.000 0.998 399 V CB 1.740 33.589 31.823 0.043 0.000 1.042 399 V HN 0.971 nan 8.190 nan 0.000 0.433 400 G N 2.975 111.746 108.800 -0.049 0.000 2.627 400 G HA2 -0.113 3.853 3.960 0.010 0.000 0.214 400 G HA3 -0.113 3.853 3.960 0.010 0.000 0.214 400 G C 0.196 175.069 174.900 -0.045 0.000 1.331 400 G CA 0.324 45.363 45.100 -0.102 0.000 0.891 400 G HN 2.044 nan 8.290 nan 0.000 0.539 401 M N -0.913 118.656 119.600 -0.053 0.000 2.476 401 M HA 0.471 4.957 4.480 0.010 0.000 0.262 401 M C 2.008 178.312 176.300 0.006 0.000 1.079 401 M CA 2.336 57.623 55.300 -0.022 0.000 1.104 401 M CB 0.044 32.630 32.600 -0.023 0.000 1.409 401 M HN 1.388 nan 8.290 nan 0.000 0.467 402 A N 0.971 123.813 122.820 0.037 0.000 2.379 402 A HA 0.177 4.503 4.320 0.010 0.000 0.236 402 A C 1.955 179.610 177.584 0.118 0.000 1.272 402 A CA 0.488 52.574 52.037 0.082 0.000 0.886 402 A CB -0.822 18.244 19.000 0.110 0.000 0.962 402 A HN 0.619 nan 8.150 nan 0.000 0.504 403 T N -2.976 111.620 114.554 0.068 0.000 3.043 403 T HA -0.003 4.353 4.350 0.010 0.000 0.263 403 T C 0.470 175.178 174.700 0.014 0.000 1.094 403 T CA 0.380 62.505 62.100 0.042 0.000 1.127 403 T CB -0.413 68.462 68.868 0.012 0.000 0.905 403 T HN 0.228 nan 8.240 nan 0.000 0.490 404 D N 3.338 123.751 120.400 0.022 0.000 2.520 404 D HA 0.133 4.779 4.640 0.010 0.000 0.243 404 D C -1.528 174.792 176.300 0.034 0.000 1.160 404 D CA -1.891 52.115 54.000 0.011 0.000 0.877 404 D CB 1.408 42.213 40.800 0.007 0.000 1.150 404 D HN 0.081 nan 8.370 nan 0.000 0.494 405 P HA -0.169 nan 4.420 nan 0.000 0.217 405 P C 1.075 178.417 177.300 0.069 0.000 1.148 405 P CA 1.000 64.108 63.100 0.012 0.000 0.828 405 P CB 0.293 31.978 31.700 -0.024 0.000 0.783 406 E N -0.486 119.739 120.200 0.041 0.000 2.023 406 E HA -0.167 4.189 4.350 0.010 0.000 0.196 406 E C 1.929 178.558 176.600 0.049 0.000 1.003 406 E CA 1.287 57.709 56.400 0.036 0.000 0.809 406 E CB -0.863 28.845 29.700 0.013 0.000 0.755 406 E HN -0.116 nan 8.360 nan 0.000 0.449 407 V N 0.337 120.281 119.914 0.049 0.000 2.343 407 V HA -0.250 3.876 4.120 0.010 0.000 0.247 407 V C 2.296 178.437 176.094 0.078 0.000 1.051 407 V CA 2.494 64.821 62.300 0.045 0.000 1.036 407 V CB -0.557 31.282 31.823 0.025 0.000 0.654 407 V HN 0.504 nan 8.190 nan 0.000 0.451 408 H N -0.220 118.857 119.070 0.012 0.000 2.353 408 H HA -0.184 4.378 4.556 0.010 0.000 0.300 408 H C 1.982 177.322 175.328 0.020 0.000 1.090 408 H CA 2.397 58.457 56.048 0.020 0.000 1.327 408 H CB -0.054 29.716 29.762 0.015 0.000 1.383 408 H HN 0.505 nan 8.280 nan 0.000 0.508 409 D N -0.511 119.987 120.400 0.162 0.000 2.144 409 D HA -0.134 4.512 4.640 0.010 0.000 0.200 409 D C 2.410 178.715 176.300 0.008 0.000 0.978 409 D CA 1.668 55.734 54.000 0.110 0.000 0.833 409 D CB -0.010 40.860 40.800 0.116 0.000 0.961 409 D HN 0.563 nan 8.370 nan 0.000 0.470 410 R N 0.675 121.181 120.500 0.010 0.000 2.090 410 R HA -0.014 4.332 4.340 0.010 0.000 0.228 410 R C 1.961 178.258 176.300 -0.005 0.000 1.110 410 R CA 0.753 56.854 56.100 0.003 0.000 0.973 410 R CB -0.615 29.691 30.300 0.011 0.000 0.869 410 R HN 0.198 nan 8.270 nan 0.000 0.440 411 L N 1.177 122.389 121.223 -0.019 0.000 2.005 411 L HA -0.085 4.261 4.340 0.010 0.000 0.207 411 L C 2.582 179.424 176.870 -0.047 0.000 1.072 411 L CA 1.064 55.903 54.840 -0.001 0.000 0.744 411 L CB -0.621 41.441 42.059 0.005 0.000 0.895 411 L HN 0.027 nan 8.230 nan 0.000 0.433 412 V N -0.029 119.791 119.914 -0.157 0.000 2.469 412 V HA -0.273 3.853 4.120 0.010 0.000 0.251 412 V C 2.612 178.661 176.094 -0.075 0.000 1.064 412 V CA 1.643 63.844 62.300 -0.166 0.000 1.066 412 V CB -0.727 30.899 31.823 -0.329 0.000 0.667 412 V HN 0.411 nan 8.190 nan 0.000 0.461 413 R N -0.670 119.801 120.500 -0.049 0.000 2.153 413 R HA -0.069 4.277 4.340 0.010 0.000 0.218 413 R C 2.235 178.524 176.300 -0.018 0.000 1.072 413 R CA 0.824 56.910 56.100 -0.023 0.000 0.990 413 R CB -0.019 30.273 30.300 -0.013 0.000 0.889 413 R HN 0.579 nan 8.270 nan 0.000 0.452 414 Q N -1.367 118.428 119.800 -0.007 0.000 2.451 414 Q HA 0.067 4.412 4.340 0.010 0.000 0.206 414 Q C 0.694 176.723 176.000 0.047 0.000 0.947 414 Q CA 0.706 56.508 55.803 -0.002 0.000 0.937 414 Q CB 0.872 29.639 28.738 0.048 0.000 1.025 414 Q HN 0.558 nan 8.270 nan 0.000 0.511 415 G N -0.075 108.735 108.800 0.017 0.000 2.179 415 G HA2 -0.207 3.759 3.960 0.010 0.000 0.220 415 G HA3 -0.207 3.759 3.960 0.010 0.000 0.220 415 G C -0.020 174.802 174.900 -0.129 0.000 0.990 415 G CA -0.069 45.012 45.100 -0.032 0.000 0.646 415 G HN 0.177 nan 8.290 nan 0.000 0.517 416 V N 2.867 122.746 119.914 -0.058 0.000 2.284 416 V HA 0.488 4.614 4.120 0.010 0.000 0.260 416 V C 0.983 177.030 176.094 -0.079 0.000 1.084 416 V CA -0.382 61.855 62.300 -0.105 0.000 0.894 416 V CB 0.744 32.606 31.823 0.065 0.000 1.119 416 V HN 0.339 nan 8.190 nan 0.000 0.484 417 L N 3.171 124.330 121.223 -0.107 0.000 2.421 417 L HA 0.658 5.004 4.340 0.010 0.000 0.263 417 L C 0.923 177.762 176.870 -0.051 0.000 1.122 417 L CA -0.472 54.317 54.840 -0.085 0.000 0.804 417 L CB 1.005 43.021 42.059 -0.070 0.000 1.150 417 L HN 0.604 nan 8.230 nan 0.000 0.457 418 A N 3.212 126.008 122.820 -0.041 0.000 2.409 418 A HA 0.454 4.780 4.320 0.010 0.000 0.267 418 A C -0.082 177.486 177.584 -0.027 0.000 1.127 418 A CA -0.274 51.765 52.037 0.003 0.000 0.795 418 A CB 0.044 19.104 19.000 0.100 0.000 1.061 418 A HN 0.693 nan 8.150 nan 0.000 0.502 419 M N 2.140 121.685 119.600 -0.091 0.000 2.249 419 M HA 0.179 4.665 4.480 0.010 0.000 0.351 419 M C 0.269 176.395 176.300 -0.290 0.000 1.180 419 M CA 0.110 55.305 55.300 -0.176 0.000 1.127 419 M CB 0.920 33.339 32.600 -0.302 0.000 1.546 419 M HN 0.707 nan 8.290 nan 0.000 0.461 420 E N 3.242 123.277 120.200 -0.276 0.000 2.376 420 E HA -0.002 4.354 4.350 0.010 0.000 0.266 420 E C -1.756 174.533 176.600 -0.519 0.000 1.009 420 E CA -1.398 54.767 56.400 -0.392 0.000 0.902 420 E CB 0.526 29.860 29.700 -0.611 0.000 0.972 420 E HN 0.367 nan 8.360 nan 0.000 0.439 421 P HA -0.228 nan 4.420 nan 0.000 0.216 421 P C 0.861 177.906 177.300 -0.425 0.000 1.157 421 P CA 1.229 63.947 63.100 -0.637 0.000 0.880 421 P CB 0.281 31.876 31.700 -0.176 0.000 0.791 422 E N -1.642 118.413 120.200 -0.243 0.000 2.153 422 E HA -0.197 4.159 4.350 0.010 0.000 0.194 422 E C 1.946 178.569 176.600 0.038 0.000 0.988 422 E CA 1.263 57.616 56.400 -0.078 0.000 0.811 422 E CB -0.821 28.869 29.700 -0.017 0.000 0.746 422 E HN 0.463 nan 8.360 nan 0.000 0.466 423 H N 0.472 119.476 119.070 -0.111 0.000 2.363 423 H HA 0.094 4.656 4.556 0.010 0.000 0.301 423 H C 2.029 177.248 175.328 -0.182 0.000 1.074 423 H CA 1.176 57.157 56.048 -0.112 0.000 1.354 423 H CB -0.649 29.108 29.762 -0.008 0.000 1.397 423 H HN 0.189 nan 8.280 nan 0.000 0.516 424 A N 1.008 123.710 122.820 -0.197 0.000 1.908 424 A HA -0.120 4.206 4.320 0.010 0.000 0.218 424 A C 2.562 180.187 177.584 0.067 0.000 1.181 424 A CA 1.414 53.326 52.037 -0.208 0.000 0.627 424 A CB -0.935 17.460 19.000 -1.007 0.000 0.818 424 A HN 0.323 nan 8.150 nan 0.000 0.445 425 L N -0.883 120.336 121.223 -0.007 0.000 2.141 425 L HA -0.078 4.268 4.340 0.010 0.000 0.209 425 L C 2.755 179.713 176.870 0.147 0.000 1.094 425 L CA 0.890 55.833 54.840 0.171 0.000 0.763 425 L CB -0.665 41.471 42.059 0.127 0.000 0.908 425 L HN 0.498 nan 8.230 nan 0.000 0.437 426 G N -0.467 108.382 108.800 0.082 0.000 2.403 426 G HA2 -0.159 3.807 3.960 0.010 0.000 0.216 426 G HA3 -0.159 3.807 3.960 0.010 0.000 0.216 426 G C 1.779 176.702 174.900 0.039 0.000 1.154 426 G CA 0.707 45.840 45.100 0.055 0.000 0.784 426 G HN 0.434 nan 8.290 nan 0.000 0.538 427 A N 0.533 123.374 122.820 0.035 0.000 1.898 427 A HA 0.109 4.435 4.320 0.010 0.000 0.216 427 A C 2.312 179.954 177.584 0.096 0.000 1.181 427 A CA 1.548 53.607 52.037 0.037 0.000 0.620 427 A CB -0.436 18.588 19.000 0.040 0.000 0.819 427 A HN 0.421 nan 8.150 nan 0.000 0.442 428 L N 0.223 121.564 121.223 0.196 0.000 2.042 428 L HA -0.175 4.170 4.340 0.010 0.000 0.210 428 L C 1.515 178.489 176.870 0.173 0.000 1.076 428 L CA 2.469 57.429 54.840 0.201 0.000 0.749 428 L CB -0.713 41.576 42.059 0.383 0.000 0.893 428 L HN 0.325 nan 8.230 nan 0.000 0.432 429 D N -0.814 119.683 120.400 0.163 0.000 2.178 429 D HA -0.192 4.454 4.640 0.010 0.000 0.201 429 D C 2.181 178.535 176.300 0.090 0.000 0.980 429 D CA 1.114 55.194 54.000 0.133 0.000 0.842 429 D CB -0.038 40.829 40.800 0.112 0.000 0.948 429 D HN 0.559 nan 8.370 nan 0.000 0.472 430 Q N -0.129 119.708 119.800 0.060 0.000 2.084 430 Q HA -0.133 4.213 4.340 0.010 0.000 0.202 430 Q C 2.236 178.256 176.000 0.033 0.000 0.978 430 Q CA 0.933 56.754 55.803 0.030 0.000 0.844 430 Q CB -0.130 28.608 28.738 -0.000 0.000 0.898 430 Q HN 0.317 nan 8.270 nan 0.000 0.426 431 M N 0.528 120.153 119.600 0.041 0.000 2.086 431 M HA -0.176 4.310 4.480 0.010 0.000 0.261 431 M C 1.883 178.215 176.300 0.053 0.000 1.067 431 M CA 1.477 56.797 55.300 0.034 0.000 1.116 431 M CB 0.038 32.654 32.600 0.026 0.000 1.348 431 M HN 0.221 nan 8.290 nan 0.000 0.407 432 L N -0.258 121.016 121.223 0.085 0.000 2.141 432 L HA -0.172 4.174 4.340 0.010 0.000 0.209 432 L C 2.394 179.312 176.870 0.080 0.000 1.094 432 L CA 0.830 55.729 54.840 0.098 0.000 0.763 432 L CB -0.779 41.373 42.059 0.156 0.000 0.908 432 L HN 0.290 nan 8.230 nan 0.000 0.437 433 E N 0.159 120.401 120.200 0.071 0.000 2.150 433 E HA -0.144 4.211 4.350 0.010 0.000 0.193 433 E C 1.674 178.298 176.600 0.040 0.000 0.985 433 E CA 0.785 57.218 56.400 0.055 0.000 0.814 433 E CB -0.209 29.519 29.700 0.047 0.000 0.752 433 E HN 0.459 nan 8.360 nan 0.000 0.466 434 N N 1.046 119.767 118.700 0.034 0.000 2.446 434 N HA -0.098 4.648 4.740 0.010 0.000 0.179 434 N C -0.101 175.427 175.510 0.029 0.000 1.054 434 N CA 0.571 53.636 53.050 0.025 0.000 0.905 434 N CB -0.023 38.474 38.487 0.016 0.000 0.973 434 N HN 0.046 nan 8.380 nan 0.000 0.448 435 D N 0.785 121.207 120.400 0.037 0.000 2.723 435 D HA -0.165 4.481 4.640 0.010 0.000 0.236 435 D C -1.276 175.043 176.300 0.031 0.000 1.138 435 D CA 0.485 54.506 54.000 0.035 0.000 0.676 435 D CB -1.003 39.816 40.800 0.031 0.000 1.069 435 D HN 0.178 nan 8.370 nan 0.000 0.430 436 D N -0.814 119.606 120.400 0.033 0.000 2.372 436 D HA 0.107 4.753 4.640 0.010 0.000 0.243 436 D C 1.386 177.705 176.300 0.033 0.000 1.121 436 D CA 0.226 54.250 54.000 0.039 0.000 0.898 436 D CB 1.025 41.850 40.800 0.042 0.000 1.202 436 D HN 0.104 nan 8.370 nan 0.000 0.428 437 T N 0.173 114.748 114.554 0.034 0.000 2.978 437 T HA 0.201 4.557 4.350 0.010 0.000 0.262 437 T C 0.570 175.282 174.700 0.019 0.000 1.063 437 T CA 0.544 62.657 62.100 0.021 0.000 1.140 437 T CB 0.301 69.176 68.868 0.011 0.000 0.886 437 T HN 0.556 nan 8.240 nan 0.000 0.470 438 A N 0.170 123.011 122.820 0.035 0.000 2.517 438 A HA 0.839 5.165 4.320 0.010 0.000 0.297 438 A C -1.323 176.293 177.584 0.054 0.000 1.050 438 A CA -0.469 51.584 52.037 0.027 0.000 0.694 438 A CB 1.379 20.395 19.000 0.027 0.000 1.277 438 A HN 0.427 nan 8.150 nan 0.000 0.400 439 A N 0.388 123.222 122.820 0.022 0.000 2.604 439 A HA 0.911 5.237 4.320 0.010 0.000 0.295 439 A C -0.447 177.150 177.584 0.021 0.000 1.067 439 A CA 0.060 52.129 52.037 0.054 0.000 0.683 439 A CB 0.969 19.979 19.000 0.017 0.000 1.281 439 A HN 2.532 nan 8.150 nan 0.000 0.407 440 A N 1.134 124.022 122.820 0.114 0.000 2.292 440 A HA 0.738 5.064 4.320 0.010 0.000 0.319 440 A C -0.550 177.157 177.584 0.204 0.000 1.206 440 A CA -0.317 51.801 52.037 0.135 0.000 0.835 440 A CB 0.103 19.256 19.000 0.254 0.000 1.164 440 A HN 0.745 nan 8.150 nan 0.000 0.505 441 I N 2.449 123.114 120.570 0.158 0.000 2.390 441 I HA 0.421 4.597 4.170 0.010 0.000 0.283 441 I C -0.004 176.318 176.117 0.342 0.000 1.016 441 I CA 0.022 61.467 61.300 0.241 0.000 1.151 441 I CB 1.550 39.662 38.000 0.186 0.000 1.293 441 I HN 0.634 nan 8.210 nan 0.000 0.458 442 T N 6.411 121.150 114.554 0.309 0.000 2.982 442 T HA 0.390 4.746 4.350 0.010 0.000 0.321 442 T C -1.480 173.307 174.700 0.145 0.000 1.229 442 T CA -0.462 61.766 62.100 0.213 0.000 1.044 442 T CB 1.568 70.555 68.868 0.198 0.000 1.184 442 T HN 0.309 nan 8.240 nan 0.000 0.477 443 L N 6.140 127.392 121.223 0.049 0.000 2.283 443 L HA 0.641 4.986 4.340 0.010 0.000 0.287 443 L C -0.651 176.119 176.870 -0.166 0.000 1.073 443 L CA -0.033 54.804 54.840 -0.005 0.000 0.822 443 L CB 0.367 42.431 42.059 0.008 0.000 1.186 443 L HN 0.619 nan 8.230 nan 0.000 0.436 444 M N 3.804 123.233 119.600 -0.285 0.000 2.436 444 M HA 0.328 4.814 4.480 0.010 0.000 0.331 444 M C -0.740 175.266 176.300 -0.491 0.000 1.135 444 M CA -0.545 54.340 55.300 -0.692 0.000 0.987 444 M CB 1.492 33.122 32.600 -1.616 0.000 1.687 444 M HN 0.474 nan 8.290 nan 0.000 0.445 445 D N 1.547 121.695 120.400 -0.420 0.000 2.454 445 D HA 0.202 4.848 4.640 0.010 0.000 0.225 445 D C 0.147 176.328 176.300 -0.199 0.000 1.081 445 D CA -0.217 53.662 54.000 -0.201 0.000 0.864 445 D CB 0.506 41.252 40.800 -0.090 0.000 1.040 445 D HN 0.534 nan 8.370 nan 0.000 0.517 446 W N 2.226 123.524 121.300 -0.004 0.000 2.519 446 W HA -0.016 4.649 4.660 0.008 0.000 0.266 446 W C 1.970 178.519 176.519 0.049 0.000 1.253 446 W CA -0.070 57.281 57.345 0.011 0.000 1.274 446 W CB 0.321 29.776 29.460 -0.009 0.000 1.114 446 W HN 0.434 nan 8.180 nan 0.000 0.596 447 E N -0.090 120.239 120.200 0.214 0.000 2.208 447 E HA -0.143 4.213 4.350 0.010 0.000 0.193 447 E C 1.975 178.637 176.600 0.103 0.000 0.988 447 E CA 1.290 57.776 56.400 0.143 0.000 0.828 447 E CB -0.218 29.540 29.700 0.096 0.000 0.763 447 E HN 0.253 nan 8.360 nan 0.000 0.478 448 M N -1.555 118.091 119.600 0.077 0.000 2.325 448 M HA 0.060 4.546 4.480 0.010 0.000 0.265 448 M C 1.673 178.006 176.300 0.054 0.000 1.094 448 M CA 0.633 55.960 55.300 0.044 0.000 1.161 448 M CB -0.097 32.510 32.600 0.013 0.000 1.358 448 M HN 0.103 nan 8.290 nan 0.000 0.446 449 F N 1.251 121.146 119.950 -0.093 0.000 2.084 449 F HA -0.120 4.414 4.527 0.011 0.000 0.296 449 F C 2.410 178.227 175.800 0.028 0.000 1.111 449 F CA 1.700 59.619 58.000 -0.135 0.000 1.224 449 F CB -0.300 38.421 39.000 -0.465 0.000 0.991 449 F HN 0.057 nan 8.300 nan 0.000 0.471 450 A N 0.437 123.467 122.820 0.350 0.000 1.883 450 A HA -0.132 4.194 4.320 0.010 0.000 0.217 450 A C -0.261 177.405 177.584 0.138 0.000 1.186 450 A CA 2.025 54.238 52.037 0.293 0.000 0.624 450 A CB -2.107 17.084 19.000 0.318 0.000 0.822 450 A HN 0.361 nan 8.150 nan 0.000 0.444 451 P HA -0.013 nan 4.420 nan 0.000 0.219 451 P C 1.746 179.045 177.300 -0.001 0.000 1.150 451 P CA 1.628 64.754 63.100 0.044 0.000 0.814 451 P CB -0.027 31.695 31.700 0.037 0.000 0.787 452 A N -0.918 121.876 122.820 -0.043 0.000 1.873 452 A HA -0.199 4.127 4.320 0.010 0.000 0.215 452 A C 2.082 179.599 177.584 -0.112 0.000 1.186 452 A CA 1.357 53.338 52.037 -0.093 0.000 0.616 452 A CB -1.860 17.059 19.000 -0.136 0.000 0.823 452 A HN 0.147 nan 8.150 nan 0.000 0.442 453 F N 1.719 121.456 119.950 -0.355 0.000 2.234 453 F HA -0.106 4.427 4.527 0.011 0.000 0.299 453 F C 2.216 177.929 175.800 -0.146 0.000 1.087 453 F CA 2.032 59.822 58.000 -0.350 0.000 1.340 453 F CB -0.019 38.622 39.000 -0.599 0.000 1.031 453 F HN 0.294 nan 8.300 nan 0.000 0.500 454 T N -2.603 111.968 114.554 0.029 0.000 3.145 454 T HA 0.438 4.794 4.350 0.010 0.000 0.255 454 T C 1.741 176.424 174.700 -0.028 0.000 1.039 454 T CA 0.229 62.337 62.100 0.013 0.000 0.928 454 T CB -0.142 68.790 68.868 0.105 0.000 1.029 454 T HN 0.172 nan 8.240 nan 0.000 0.554 455 A N 2.808 125.592 122.820 -0.060 0.000 1.933 455 A HA -0.079 4.247 4.320 0.010 0.000 0.218 455 A C 2.273 179.828 177.584 -0.048 0.000 1.175 455 A CA 1.363 53.372 52.037 -0.047 0.000 0.628 455 A CB -0.401 18.563 19.000 -0.059 0.000 0.814 455 A HN 0.546 nan 8.150 nan 0.000 0.444 456 N N -1.110 117.547 118.700 -0.073 0.000 2.294 456 N HA 0.085 4.830 4.740 0.010 0.000 0.186 456 N C 0.402 175.885 175.510 -0.046 0.000 1.107 456 N CA 0.596 53.610 53.050 -0.060 0.000 0.884 456 N CB 0.405 38.844 38.487 -0.080 0.000 1.030 456 N HN 0.791 nan 8.380 nan 0.000 0.482 457 R N 0.400 120.867 120.500 -0.054 0.000 2.594 457 R HA 0.427 4.773 4.340 0.010 0.000 0.265 457 R C -3.229 173.067 176.300 -0.006 0.000 1.070 457 R CA -1.171 54.914 56.100 -0.025 0.000 0.909 457 R CB 1.703 31.991 30.300 -0.020 0.000 1.243 457 R HN -0.237 nan 8.270 nan 0.000 0.455 458 P HA 0.032 nan 4.420 nan 0.000 0.272 458 P C -0.786 176.568 177.300 0.089 0.000 1.240 458 P CA -0.347 62.788 63.100 0.058 0.000 0.791 458 P CB 1.207 32.942 31.700 0.057 0.000 0.978 459 S N 0.011 115.796 115.700 0.142 0.000 2.667 459 S HA 0.482 4.958 4.470 0.010 0.000 0.304 459 S C 1.049 175.741 174.600 0.153 0.000 1.135 459 S CA -0.302 58.025 58.200 0.212 0.000 1.125 459 S CB -0.011 63.430 63.200 0.401 0.000 0.996 459 S HN 0.467 nan 8.310 nan 0.000 0.474 460 A N 4.727 127.620 122.820 0.123 0.000 2.015 460 A HA 0.014 4.340 4.320 0.010 0.000 0.219 460 A C 1.906 179.526 177.584 0.060 0.000 1.163 460 A CA 1.186 53.273 52.037 0.082 0.000 0.646 460 A CB -0.622 18.427 19.000 0.081 0.000 0.806 460 A HN 0.860 nan 8.150 nan 0.000 0.448 461 L N -0.337 120.940 121.223 0.090 0.000 2.051 461 L HA -0.162 4.183 4.340 0.010 0.000 0.214 461 L C 1.889 178.758 176.870 -0.002 0.000 1.076 461 L CA 1.899 56.770 54.840 0.051 0.000 0.758 461 L CB -0.250 41.888 42.059 0.132 0.000 0.890 461 L HN 0.427 nan 8.230 nan 0.000 0.433 462 L N -0.997 120.234 121.223 0.013 0.000 2.592 462 L HA 0.077 4.422 4.340 0.010 0.000 0.227 462 L C 2.228 179.026 176.870 -0.119 0.000 1.127 462 L CA 0.625 55.409 54.840 -0.094 0.000 0.884 462 L CB -0.528 41.506 42.059 -0.042 0.000 1.065 462 L HN 0.387 nan 8.230 nan 0.000 0.457 463 S N -1.253 114.414 115.700 -0.054 0.000 2.474 463 S HA -0.128 4.348 4.470 0.010 0.000 0.235 463 S C 1.692 176.248 174.600 -0.073 0.000 0.997 463 S CA 1.248 59.419 58.200 -0.049 0.000 0.949 463 S CB -0.652 62.542 63.200 -0.011 0.000 0.766 463 S HN 0.523 nan 8.310 nan 0.000 0.517 464 T N -0.712 113.786 114.554 -0.094 0.000 3.122 464 T HA 0.382 4.738 4.350 0.010 0.000 0.250 464 T C 0.199 174.814 174.700 -0.141 0.000 1.067 464 T CA -0.348 61.701 62.100 -0.086 0.000 0.966 464 T CB -0.045 68.788 68.868 -0.057 0.000 1.002 464 T HN 0.174 nan 8.240 nan 0.000 0.542 465 V N 3.703 123.458 119.914 -0.265 0.000 2.318 465 V HA 0.282 4.408 4.120 0.010 0.000 0.271 465 V C -1.594 174.305 176.094 -0.326 0.000 1.030 465 V CA -1.804 60.237 62.300 -0.430 0.000 0.844 465 V CB 1.585 32.833 31.823 -0.958 0.000 1.015 465 V HN 0.081 nan 8.190 nan 0.000 0.460 466 P HA -0.073 nan 4.420 nan 0.000 0.220 466 P C 1.158 178.391 177.300 -0.113 0.000 1.148 466 P CA 0.849 63.892 63.100 -0.096 0.000 0.803 466 P CB 0.472 32.153 31.700 -0.032 0.000 0.782 467 E N -0.426 119.673 120.200 -0.168 0.000 2.208 467 E HA -0.055 4.301 4.350 0.010 0.000 0.193 467 E C 2.048 178.588 176.600 -0.101 0.000 0.988 467 E CA 1.188 57.531 56.400 -0.095 0.000 0.828 467 E CB -0.797 28.899 29.700 -0.006 0.000 0.763 467 E HN 0.179 nan 8.360 nan 0.000 0.478 468 A N 0.388 123.013 122.820 -0.326 0.000 1.898 468 A HA -0.062 4.264 4.320 0.010 0.000 0.214 468 A C 2.382 179.933 177.584 -0.054 0.000 1.183 468 A CA 0.750 52.695 52.037 -0.153 0.000 0.622 468 A CB -0.513 18.290 19.000 -0.329 0.000 0.824 468 A HN 0.131 nan 8.150 nan 0.000 0.444 469 V N 0.220 120.078 119.914 -0.092 0.000 2.287 469 V HA -0.262 3.864 4.120 0.010 0.000 0.248 469 V C 2.793 178.882 176.094 -0.008 0.000 1.053 469 V CA 2.470 64.747 62.300 -0.039 0.000 1.027 469 V CB -0.939 30.856 31.823 -0.047 0.000 0.646 469 V HN 0.548 nan 8.190 nan 0.000 0.447 470 S N 0.122 115.816 115.700 -0.009 0.000 2.368 470 S HA -0.171 4.305 4.470 0.010 0.000 0.225 470 S C 2.188 176.809 174.600 0.035 0.000 1.030 470 S CA 1.414 59.623 58.200 0.014 0.000 0.999 470 S CB -0.519 62.692 63.200 0.018 0.000 0.844 470 S HN 0.668 nan 8.310 nan 0.000 0.459 471 A N 0.982 123.836 122.820 0.056 0.000 2.019 471 A HA 0.076 4.402 4.320 0.010 0.000 0.219 471 A C 1.877 179.498 177.584 0.062 0.000 1.164 471 A CA 0.976 53.059 52.037 0.077 0.000 0.644 471 A CB -0.493 18.586 19.000 0.131 0.000 0.805 471 A HN 0.483 nan 8.150 nan 0.000 0.449 472 L N 0.697 121.952 121.223 0.053 0.000 2.591 472 L HA 0.042 4.388 4.340 0.010 0.000 0.228 472 L C 1.358 178.247 176.870 0.033 0.000 1.133 472 L CA 0.143 55.010 54.840 0.046 0.000 0.880 472 L CB -0.345 41.743 42.059 0.048 0.000 1.033 472 L HN 0.478 nan 8.230 nan 0.000 0.450 473 S N 0.000 115.717 115.700 0.028 0.000 2.498 473 S HA 0.000 4.476 4.470 0.010 0.000 0.327 473 S CA 0.000 58.213 58.200 0.021 0.000 1.107 473 S CB 0.000 63.210 63.200 0.017 0.000 0.593 473 S HN 0.000 nan 8.310 nan 0.000 0.517