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 2c2r_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIVLFVDFDY FYAQVEEVLN PSLKGKPVVV CVFSGRFEDS GAVATANYEA DATA SEQUENCE RKFGVKAGIP IVEAKKILPN AVYLPMRKEV YQQVSSRIMN LLREYSEKIE DATA SEQUENCE IASIDEAYLD ISDKVRDYRE AYNLGLEIKN KILEKEKITV TVGISKNKVF DATA SEQUENCE AKIAADMAKP NGIKVIDDEE VKRLIRELDI ADVPGIGNIT AEKLKKLGIN DATA SEQUENCE KLVDTLSIEF DKLKGMIGEA KAKYLISLAR DEYNEPIRTR VRKSIGRIVT DATA SEQUENCE MKRNSRNLEE IKPYLFRAIE ESYYKLDKRI PKAIHVVAVT EDLDIVSRGR DATA SEQUENCE TFPHGISKET AYSESVKLLQ KILEEDERKI RRIGVRFSKF IE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.320 176.300 0.034 0.000 1.140 1 M CA 0.000 55.311 55.300 0.019 0.000 0.988 1 M CB 0.000 32.622 32.600 0.036 0.000 1.302 2 I N 5.052 125.657 120.570 0.058 0.000 2.468 2 I HA 0.493 4.662 4.170 -0.001 0.000 0.285 2 I C -0.971 175.233 176.117 0.145 0.000 1.039 2 I CA -0.965 60.401 61.300 0.110 0.000 1.074 2 I CB 2.104 40.152 38.000 0.081 0.000 1.228 2 I HN 0.387 nan 8.210 nan 0.000 0.436 3 V N 7.098 127.122 119.914 0.183 0.000 2.427 3 V HA 0.407 4.526 4.120 -0.001 0.000 0.286 3 V C -0.170 176.055 176.094 0.218 0.000 1.034 3 V CA -0.563 61.858 62.300 0.202 0.000 0.893 3 V CB 2.204 34.159 31.823 0.220 0.000 0.982 3 V HN 0.501 nan 8.190 nan 0.000 0.452 4 L N 5.534 126.878 121.223 0.202 0.000 2.298 4 L HA 0.586 4.926 4.340 -0.001 0.000 0.284 4 L C -1.097 175.880 176.870 0.180 0.000 1.013 4 L CA -0.482 54.453 54.840 0.158 0.000 0.824 4 L CB 1.114 43.228 42.059 0.092 0.000 1.221 4 L HN 0.652 nan 8.230 nan 0.000 0.418 5 F N 5.819 125.755 119.950 -0.023 0.000 2.421 5 F HA 0.659 5.185 4.527 -0.002 0.000 0.337 5 F C -0.938 174.744 175.800 -0.197 0.000 1.105 5 F CA -0.588 57.310 58.000 -0.169 0.000 1.049 5 F CB 1.519 40.412 39.000 -0.177 0.000 1.139 5 F HN 0.063 nan 8.300 nan 0.000 0.479 6 V N 5.522 124.817 119.914 -1.032 0.000 2.487 6 V HA 0.353 4.472 4.120 -0.001 0.000 0.298 6 V C -1.118 174.236 176.094 -1.234 0.000 1.028 6 V CA -0.835 60.950 62.300 -0.860 0.000 0.860 6 V CB 1.615 33.189 31.823 -0.416 0.000 0.991 6 V HN 0.741 nan 8.190 nan 0.000 0.427 7 D N 3.992 123.879 120.400 -0.855 0.000 2.620 7 D HA 0.351 4.990 4.640 -0.001 0.000 0.252 7 D C -0.988 175.163 176.300 -0.249 0.000 1.207 7 D CA -0.420 53.165 54.000 -0.691 0.000 0.884 7 D CB 1.467 41.978 40.800 -0.480 0.000 1.262 7 D HN 0.184 nan 8.370 nan 0.000 0.552 8 F N 2.024 121.742 119.950 -0.386 0.000 2.538 8 F HA 0.167 4.693 4.527 -0.002 0.000 0.371 8 F C 1.383 177.109 175.800 -0.124 0.000 1.087 8 F CA -0.604 57.205 58.000 -0.320 0.000 1.250 8 F CB 0.100 38.704 39.000 -0.660 0.000 1.110 8 F HN 0.132 nan 8.300 nan 0.000 0.570 9 D N 2.770 123.282 120.400 0.186 0.000 2.382 9 D HA -0.012 4.627 4.640 -0.001 0.000 0.245 9 D C 0.610 177.133 176.300 0.372 0.000 1.120 9 D CA -0.042 54.147 54.000 0.316 0.000 0.890 9 D CB 0.381 41.408 40.800 0.378 0.000 1.201 9 D HN 0.725 nan 8.370 nan 0.000 0.433 10 Y N 0.035 120.438 120.300 0.172 0.000 2.889 10 Y HA -0.366 4.181 4.550 -0.004 0.000 0.223 10 Y C 0.917 176.867 175.900 0.083 0.000 1.067 10 Y CA -0.553 57.594 58.100 0.079 0.000 0.999 10 Y CB -1.952 36.577 38.460 0.115 0.000 1.106 10 Y HN 0.270 nan 8.280 nan 0.000 0.548 11 F N 1.645 121.475 119.950 -0.200 0.000 2.067 11 F HA -0.401 4.127 4.527 0.002 0.000 0.295 11 F C 2.151 177.817 175.800 -0.224 0.000 1.142 11 F CA 2.194 60.076 58.000 -0.197 0.000 1.230 11 F CB -1.137 37.834 39.000 -0.049 0.000 0.941 11 F HN 0.364 nan 8.300 nan 0.000 0.518 12 Y N 0.185 120.127 120.300 -0.596 0.000 2.151 12 Y HA -0.171 4.377 4.550 -0.004 0.000 0.284 12 Y C 2.661 178.181 175.900 -0.634 0.000 1.166 12 Y CA 0.876 58.271 58.100 -1.175 0.000 1.163 12 Y CB -1.979 35.818 38.460 -1.105 0.000 0.974 12 Y HN 0.202 nan 8.280 nan 0.000 0.511 13 A N -0.277 122.428 122.820 -0.191 0.000 1.872 13 A HA -0.215 4.104 4.320 -0.001 0.000 0.214 13 A C 2.326 179.821 177.584 -0.148 0.000 1.187 13 A CA 1.547 53.555 52.037 -0.049 0.000 0.614 13 A CB -0.849 18.243 19.000 0.153 0.000 0.826 13 A HN 0.492 nan 8.150 nan 0.000 0.442 14 Q N -0.119 119.351 119.800 -0.550 0.000 2.050 14 Q HA -0.145 4.194 4.340 -0.001 0.000 0.202 14 Q C 1.976 177.834 176.000 -0.237 0.000 0.980 14 Q CA 2.068 57.486 55.803 -0.642 0.000 0.840 14 Q CB -0.276 27.822 28.738 -1.067 0.000 0.898 14 Q HN 0.379 nan 8.270 nan 0.000 0.424 15 V N 1.699 121.486 119.914 -0.212 0.000 2.317 15 V HA -0.301 3.818 4.120 -0.001 0.000 0.251 15 V C 2.320 178.411 176.094 -0.004 0.000 1.065 15 V CA 2.173 64.418 62.300 -0.092 0.000 1.049 15 V CB -0.633 31.132 31.823 -0.096 0.000 0.651 15 V HN 0.425 nan 8.190 nan 0.000 0.450 16 E N -0.003 120.216 120.200 0.031 0.000 2.077 16 E HA -0.236 4.114 4.350 -0.001 0.000 0.193 16 E C 2.184 178.809 176.600 0.041 0.000 0.989 16 E CA 1.385 57.825 56.400 0.066 0.000 0.800 16 E CB -0.291 29.466 29.700 0.095 0.000 0.746 16 E HN 0.726 nan 8.360 nan 0.000 0.452 17 E N 0.398 120.617 120.200 0.033 0.000 2.265 17 E HA -0.107 4.242 4.350 -0.001 0.000 0.196 17 E C 2.058 178.677 176.600 0.031 0.000 0.996 17 E CA 0.638 57.068 56.400 0.050 0.000 0.832 17 E CB 0.126 29.879 29.700 0.088 0.000 0.756 17 E HN 0.040 nan 8.360 nan 0.000 0.491 18 V N 0.607 120.527 119.914 0.010 0.000 2.649 18 V HA -0.138 3.981 4.120 -0.001 0.000 0.248 18 V C 1.841 177.941 176.094 0.010 0.000 1.054 18 V CA 0.834 63.137 62.300 0.006 0.000 1.073 18 V CB -0.019 31.800 31.823 -0.008 0.000 0.699 18 V HN 0.183 nan 8.190 nan 0.000 0.463 19 L N 0.326 121.556 121.223 0.013 0.000 2.313 19 L HA 0.164 4.503 4.340 -0.001 0.000 0.214 19 L C 1.075 177.954 176.870 0.015 0.000 1.119 19 L CA 1.307 56.153 54.840 0.010 0.000 0.809 19 L CB -0.299 41.765 42.059 0.009 0.000 0.933 19 L HN 0.384 nan 8.230 nan 0.000 0.449 20 N N -0.439 118.275 118.700 0.023 0.000 2.707 20 N HA 0.160 4.899 4.740 -0.001 0.000 0.249 20 N C -2.300 173.228 175.510 0.031 0.000 1.299 20 N CA -1.320 51.745 53.050 0.026 0.000 0.769 20 N CB 1.264 39.770 38.487 0.030 0.000 1.236 20 N HN -0.125 nan 8.380 nan 0.000 0.524 21 P HA -0.085 nan 4.420 nan 0.000 0.234 21 P C 0.945 178.266 177.300 0.035 0.000 1.162 21 P CA 0.656 63.775 63.100 0.032 0.000 0.759 21 P CB 0.040 31.755 31.700 0.024 0.000 0.813 22 S N -1.125 114.595 115.700 0.034 0.000 2.561 22 S HA 0.022 4.491 4.470 -0.001 0.000 0.225 22 S C 1.695 176.320 174.600 0.042 0.000 0.977 22 S CA 0.135 58.355 58.200 0.034 0.000 0.926 22 S CB -1.088 62.130 63.200 0.030 0.000 0.769 22 S HN 0.127 nan 8.310 nan 0.000 0.533 23 L N 0.030 121.283 121.223 0.050 0.000 2.354 23 L HA 0.306 4.645 4.340 -0.001 0.000 0.212 23 L C 1.301 178.213 176.870 0.069 0.000 1.091 23 L CA 0.046 54.922 54.840 0.059 0.000 0.828 23 L CB -0.411 41.688 42.059 0.067 0.000 0.973 23 L HN 0.131 nan 8.230 nan 0.000 0.461 24 K N 1.441 121.885 120.400 0.072 0.000 2.440 24 K HA 0.045 4.364 4.320 -0.001 0.000 0.275 24 K C 0.993 177.631 176.600 0.062 0.000 1.082 24 K CA 1.011 57.346 56.287 0.081 0.000 1.135 24 K CB -0.050 32.491 32.500 0.069 0.000 0.864 24 K HN 0.364 nan 8.250 nan 0.000 0.479 25 G N 3.239 112.077 108.800 0.062 0.000 2.218 25 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.216 25 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.216 25 G C -0.286 174.647 174.900 0.056 0.000 0.994 25 G CA -0.165 44.964 45.100 0.048 0.000 0.637 25 G HN 0.552 nan 8.290 nan 0.000 0.505 26 K N 0.866 121.303 120.400 0.062 0.000 2.156 26 K HA 0.543 4.862 4.320 -0.001 0.000 0.250 26 K C -2.842 173.795 176.600 0.062 0.000 0.955 26 K CA -2.187 54.136 56.287 0.061 0.000 0.855 26 K CB 1.959 34.492 32.500 0.054 0.000 1.101 26 K HN -0.100 nan 8.250 nan 0.000 0.434 27 P HA 0.043 nan 4.420 nan 0.000 0.269 27 P C -1.106 176.186 177.300 -0.013 0.000 1.263 27 P CA -0.137 62.984 63.100 0.036 0.000 0.813 27 P CB 0.450 32.175 31.700 0.041 0.000 0.868 28 V N 5.625 125.541 119.914 0.002 0.000 2.398 28 V HA 0.300 4.420 4.120 -0.001 0.000 0.286 28 V C 0.196 176.249 176.094 -0.067 0.000 1.026 28 V CA -0.558 61.735 62.300 -0.012 0.000 0.868 28 V CB 2.083 33.950 31.823 0.074 0.000 0.982 28 V HN 0.154 nan 8.190 nan 0.000 0.443 29 V N 5.725 125.531 119.914 -0.180 0.000 2.349 29 V HA 0.318 4.437 4.120 -0.001 0.000 0.284 29 V C -0.070 175.972 176.094 -0.087 0.000 1.014 29 V CA -0.630 61.543 62.300 -0.213 0.000 0.826 29 V CB 1.785 33.300 31.823 -0.513 0.000 1.009 29 V HN 0.622 nan 8.190 nan 0.000 0.431 30 V N 4.635 124.549 119.914 -0.001 0.000 2.470 30 V HA 0.244 4.363 4.120 -0.001 0.000 0.276 30 V C 0.390 176.519 176.094 0.059 0.000 1.040 30 V CA 0.051 62.397 62.300 0.078 0.000 1.008 30 V CB 0.585 32.472 31.823 0.106 0.000 0.990 30 V HN 1.001 nan 8.190 nan 0.000 0.477 31 C N 4.123 123.469 119.300 0.077 0.000 2.710 31 C HA 0.838 5.297 4.460 -0.001 0.000 0.367 31 C C 0.139 175.094 174.990 -0.059 0.000 1.315 31 C CA -0.760 58.208 59.018 -0.084 0.000 1.764 31 C CB 1.776 29.291 27.740 -0.374 0.000 2.182 31 C HN 0.758 nan 8.230 nan 0.000 0.491 32 V N -0.531 119.255 119.914 -0.213 0.000 2.398 32 V HA 0.586 4.705 4.120 -0.001 0.000 0.282 32 V C -1.201 174.788 176.094 -0.174 0.000 1.014 32 V CA -0.252 62.008 62.300 -0.066 0.000 0.838 32 V CB 0.135 31.944 31.823 -0.022 0.000 1.018 32 V HN 0.618 nan 8.190 nan 0.000 0.432 33 F N 3.228 123.174 119.950 -0.005 0.000 2.410 33 F HA 0.543 5.071 4.527 0.001 0.000 0.348 33 F C 1.724 177.487 175.800 -0.062 0.000 1.106 33 F CA -0.012 57.961 58.000 -0.045 0.000 1.163 33 F CB 2.081 41.061 39.000 -0.034 0.000 1.129 33 F HN 0.687 nan 8.300 nan 0.000 0.516 34 S N 0.840 116.556 115.700 0.027 0.000 2.527 34 S HA 0.210 4.679 4.470 -0.001 0.000 0.222 34 S C 1.734 176.330 174.600 -0.007 0.000 0.985 34 S CA 0.274 58.462 58.200 -0.021 0.000 0.921 34 S CB -0.332 62.808 63.200 -0.100 0.000 0.772 34 S HN 1.267 nan 8.310 nan 0.000 0.529 35 G N 2.132 110.935 108.800 0.006 0.000 2.168 35 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.263 35 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.263 35 G C 0.813 175.714 174.900 0.001 0.000 0.977 35 G CA 0.552 45.661 45.100 0.016 0.000 0.659 35 G HN 0.636 nan 8.290 nan 0.000 0.533 36 R N 0.026 120.476 120.500 -0.083 0.000 2.237 36 R HA 0.318 4.658 4.340 -0.001 0.000 0.219 36 R C 0.640 177.060 176.300 0.200 0.000 1.080 36 R CA 1.670 57.772 56.100 0.002 0.000 0.995 36 R CB -0.183 30.079 30.300 -0.063 0.000 0.875 36 R HN 1.241 nan 8.270 nan 0.000 0.462 37 F N -3.541 116.440 119.950 0.050 0.000 2.742 37 F HA 0.256 4.778 4.527 -0.009 0.000 0.318 37 F C -1.449 174.390 175.800 0.065 0.000 1.092 37 F CA -1.650 56.376 58.000 0.043 0.000 0.976 37 F CB 0.218 39.236 39.000 0.029 0.000 1.244 37 F HN -0.300 nan 8.300 nan 0.000 0.470 38 E N 2.052 122.407 120.200 0.258 0.000 2.608 38 E HA 0.184 4.533 4.350 -0.001 0.000 0.259 38 E C -0.003 176.728 176.600 0.217 0.000 0.951 38 E CA 1.982 58.488 56.400 0.176 0.000 0.945 38 E CB -0.005 29.769 29.700 0.124 0.000 0.916 38 E HN 0.660 nan 8.360 nan 0.000 0.477 39 D N 1.070 121.602 120.400 0.220 0.000 3.017 39 D HA -0.159 4.480 4.640 -0.001 0.000 0.220 39 D C -0.966 175.330 176.300 -0.006 0.000 1.141 39 D CA 1.273 55.382 54.000 0.182 0.000 0.848 39 D CB -1.754 39.124 40.800 0.131 0.000 1.102 39 D HN 0.342 nan 8.370 nan 0.000 0.427 40 S N -0.883 114.700 115.700 -0.196 0.000 2.433 40 S HA 0.800 5.269 4.470 -0.001 0.000 0.310 40 S C 0.609 175.031 174.600 -0.297 0.000 1.097 40 S CA 0.287 58.158 58.200 -0.548 0.000 1.103 40 S CB 2.709 65.079 63.200 -1.384 0.000 0.992 40 S HN 0.681 nan 8.310 nan 0.000 0.469 41 G N 1.299 109.943 108.800 -0.261 0.000 2.367 41 G HA2 0.644 4.603 3.960 -0.001 0.000 0.272 41 G HA3 0.644 4.603 3.960 -0.001 0.000 0.272 41 G C -1.402 173.378 174.900 -0.200 0.000 1.271 41 G CA -0.158 44.798 45.100 -0.241 0.000 0.893 41 G HN 1.603 nan 8.290 nan 0.000 0.485 42 A N -1.504 121.194 122.820 -0.204 0.000 2.587 42 A HA 0.794 5.114 4.320 -0.001 0.000 0.293 42 A C -0.942 176.564 177.584 -0.130 0.000 1.087 42 A CA -0.344 51.614 52.037 -0.131 0.000 0.692 42 A CB 1.614 20.567 19.000 -0.079 0.000 1.291 42 A HN 1.713 nan 8.150 nan 0.000 0.407 43 V N 1.808 121.676 119.914 -0.077 0.000 2.508 43 V HA 0.385 4.504 4.120 -0.001 0.000 0.281 43 V C 1.354 177.430 176.094 -0.030 0.000 1.041 43 V CA 0.946 63.213 62.300 -0.054 0.000 1.016 43 V CB 0.904 32.706 31.823 -0.034 0.000 0.984 43 V HN 1.265 nan 8.190 nan 0.000 0.478 44 A N 4.744 127.563 122.820 -0.001 0.000 1.861 44 A HA 0.251 4.570 4.320 -0.001 0.000 0.212 44 A C 1.068 178.657 177.584 0.009 0.000 1.199 44 A CA 1.284 53.350 52.037 0.049 0.000 0.613 44 A CB 0.118 19.207 19.000 0.148 0.000 0.846 44 A HN 0.918 nan 8.150 nan 0.000 0.446 45 T N -3.702 110.847 114.554 -0.008 0.000 2.885 45 T HA 0.637 4.986 4.350 -0.001 0.000 0.322 45 T C -1.021 173.653 174.700 -0.043 0.000 1.387 45 T CA 0.048 62.109 62.100 -0.064 0.000 1.041 45 T CB 1.188 69.969 68.868 -0.146 0.000 1.287 45 T HN 1.296 nan 8.240 nan 0.000 0.491 46 A N 2.603 125.388 122.820 -0.058 0.000 2.469 46 A HA 0.874 5.193 4.320 -0.001 0.000 0.299 46 A C -0.162 177.403 177.584 -0.033 0.000 1.098 46 A CA -1.024 50.982 52.037 -0.050 0.000 0.737 46 A CB 1.293 20.237 19.000 -0.092 0.000 1.312 46 A HN 1.144 nan 8.150 nan 0.000 0.414 47 N N -0.619 118.086 118.700 0.009 0.000 2.405 47 N HA 0.251 4.991 4.740 -0.001 0.000 0.269 47 N C 0.144 175.505 175.510 -0.248 0.000 1.249 47 N CA -0.266 52.723 53.050 -0.102 0.000 0.974 47 N CB -0.193 38.270 38.487 -0.040 0.000 1.204 47 N HN 0.576 nan 8.380 nan 0.000 0.565 48 Y N -0.969 119.093 120.300 -0.396 0.000 2.483 48 Y HA -0.084 4.465 4.550 -0.002 0.000 0.291 48 Y C 1.826 177.623 175.900 -0.172 0.000 1.143 48 Y CA 0.818 58.760 58.100 -0.264 0.000 1.289 48 Y CB -0.036 38.244 38.460 -0.301 0.000 0.983 48 Y HN 0.534 nan 8.280 nan 0.000 0.556 49 E N -0.279 119.918 120.200 -0.004 0.000 2.158 49 E HA -0.100 4.249 4.350 -0.001 0.000 0.191 49 E C 2.314 178.992 176.600 0.131 0.000 0.982 49 E CA 0.897 57.326 56.400 0.049 0.000 0.823 49 E CB -0.146 29.602 29.700 0.079 0.000 0.766 49 E HN 0.484 nan 8.360 nan 0.000 0.468 50 A N 1.547 124.403 122.820 0.060 0.000 1.855 50 A HA -0.086 4.233 4.320 -0.001 0.000 0.213 50 A C 2.166 179.777 177.584 0.046 0.000 1.195 50 A CA 0.762 52.847 52.037 0.079 0.000 0.610 50 A CB -0.348 18.636 19.000 -0.027 0.000 0.837 50 A HN 0.043 nan 8.150 nan 0.000 0.444 51 R N 0.438 120.888 120.500 -0.083 0.000 2.103 51 R HA -0.192 4.147 4.340 -0.001 0.000 0.242 51 R C 1.985 178.211 176.300 -0.124 0.000 1.142 51 R CA 1.880 57.894 56.100 -0.143 0.000 0.960 51 R CB -0.421 29.695 30.300 -0.306 0.000 0.858 51 R HN 0.735 nan 8.270 nan 0.000 0.439 52 K N -0.501 119.791 120.400 -0.180 0.000 2.555 52 K HA -0.071 4.248 4.320 -0.001 0.000 0.193 52 K C 0.535 176.889 176.600 -0.409 0.000 1.032 52 K CA 1.098 57.208 56.287 -0.296 0.000 1.004 52 K CB 0.153 32.425 32.500 -0.379 0.000 0.804 52 K HN 0.179 nan 8.250 nan 0.000 0.496 53 F N -0.032 119.897 119.950 -0.034 0.000 2.688 53 F HA 0.302 4.831 4.527 0.004 0.000 0.310 53 F C 1.141 176.929 175.800 -0.019 0.000 1.098 53 F CA -0.074 57.915 58.000 -0.019 0.000 1.228 53 F CB 1.754 40.748 39.000 -0.010 0.000 1.042 53 F HN 0.287 nan 8.300 nan 0.000 0.557 54 G N 0.502 109.358 108.800 0.095 0.000 2.176 54 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.232 54 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.232 54 G C -0.152 174.768 174.900 0.034 0.000 0.986 54 G CA -0.115 45.016 45.100 0.051 0.000 0.643 54 G HN 0.058 nan 8.290 nan 0.000 0.522 55 V N 2.504 122.441 119.914 0.038 0.000 2.385 55 V HA 0.568 4.688 4.120 -0.001 0.000 0.269 55 V C 0.573 176.646 176.094 -0.035 0.000 1.043 55 V CA 0.538 62.846 62.300 0.013 0.000 0.906 55 V CB 0.950 32.783 31.823 0.018 0.000 0.995 55 V HN 0.646 nan 8.190 nan 0.000 0.467 56 K N 3.742 124.119 120.400 -0.038 0.000 2.444 56 K HA 0.901 5.220 4.320 -0.001 0.000 0.252 56 K C -0.445 176.124 176.600 -0.052 0.000 0.993 56 K CA -0.954 55.295 56.287 -0.063 0.000 0.847 56 K CB 2.102 34.565 32.500 -0.062 0.000 1.340 56 K HN 0.509 nan 8.250 nan 0.000 0.446 57 A N 0.383 123.166 122.820 -0.062 0.000 2.545 57 A HA 0.424 4.743 4.320 -0.001 0.000 0.253 57 A C 1.154 178.716 177.584 -0.037 0.000 1.074 57 A CA 1.058 53.066 52.037 -0.049 0.000 0.760 57 A CB -1.241 17.725 19.000 -0.056 0.000 1.005 57 A HN 1.260 nan 8.150 nan 0.000 0.506 58 G N 1.590 110.372 108.800 -0.030 0.000 2.316 58 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.203 58 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.203 58 G C 0.419 175.304 174.900 -0.025 0.000 0.999 58 G CA -0.019 45.065 45.100 -0.027 0.000 0.649 58 G HN 1.801 nan 8.290 nan 0.000 0.489 59 I N 0.317 120.873 120.570 -0.022 0.000 2.764 59 I HA 0.674 4.844 4.170 -0.001 0.000 0.294 59 I C -2.275 173.830 176.117 -0.020 0.000 1.045 59 I CA -2.232 59.059 61.300 -0.014 0.000 1.340 59 I CB 0.989 38.988 38.000 -0.001 0.000 1.436 59 I HN -0.095 nan 8.210 nan 0.000 0.567 60 P HA 0.163 nan 4.420 nan 0.000 0.268 60 P C 0.678 177.964 177.300 -0.023 0.000 1.205 60 P CA 0.075 63.160 63.100 -0.026 0.000 0.771 60 P CB 0.645 32.345 31.700 -0.001 0.000 0.858 61 I N 1.999 122.528 120.570 -0.068 0.000 2.454 61 I HA -0.226 3.943 4.170 -0.001 0.000 0.254 61 I C 1.948 178.055 176.117 -0.016 0.000 1.156 61 I CA 1.222 62.488 61.300 -0.057 0.000 1.433 61 I CB -0.173 37.704 38.000 -0.206 0.000 1.082 61 I HN 0.201 nan 8.210 nan 0.000 0.432 62 V N 0.436 120.346 119.914 -0.006 0.000 2.244 62 V HA -0.267 3.852 4.120 -0.001 0.000 0.244 62 V C 2.365 178.468 176.094 0.015 0.000 1.042 62 V CA 1.860 64.167 62.300 0.012 0.000 1.006 62 V CB -0.505 31.351 31.823 0.055 0.000 0.641 62 V HN 0.314 nan 8.190 nan 0.000 0.446 63 E N 0.040 120.255 120.200 0.026 0.000 2.265 63 E HA -0.101 4.248 4.350 -0.001 0.000 0.196 63 E C 2.060 178.688 176.600 0.047 0.000 0.996 63 E CA 1.103 57.521 56.400 0.029 0.000 0.832 63 E CB -0.403 29.312 29.700 0.025 0.000 0.756 63 E HN 0.579 nan 8.360 nan 0.000 0.491 64 A N 0.255 123.119 122.820 0.073 0.000 1.970 64 A HA -0.104 4.215 4.320 -0.001 0.000 0.216 64 A C 1.853 179.555 177.584 0.196 0.000 1.170 64 A CA 1.044 53.167 52.037 0.144 0.000 0.645 64 A CB -0.084 19.045 19.000 0.214 0.000 0.816 64 A HN 0.068 nan 8.150 nan 0.000 0.447 65 K N -0.183 120.266 120.400 0.081 0.000 2.228 65 K HA 0.008 4.327 4.320 -0.001 0.000 0.202 65 K C 1.745 178.350 176.600 0.008 0.000 1.051 65 K CA 0.765 57.038 56.287 -0.023 0.000 0.960 65 K CB -0.031 32.323 32.500 -0.243 0.000 0.743 65 K HN 0.343 nan 8.250 nan 0.000 0.458 66 K N 0.727 121.136 120.400 0.014 0.000 2.148 66 K HA -0.051 4.268 4.320 -0.001 0.000 0.204 66 K C 1.987 178.595 176.600 0.013 0.000 1.050 66 K CA 0.959 57.251 56.287 0.008 0.000 0.942 66 K CB 0.032 32.538 32.500 0.011 0.000 0.724 66 K HN 0.140 nan 8.250 nan 0.000 0.446 67 I N 0.593 121.182 120.570 0.033 0.000 2.185 67 I HA -0.152 4.018 4.170 -0.001 0.000 0.235 67 I C 1.098 177.206 176.117 -0.015 0.000 1.069 67 I CA 0.900 62.211 61.300 0.019 0.000 1.354 67 I CB 0.077 38.107 38.000 0.051 0.000 1.093 67 I HN -0.006 nan 8.210 nan 0.000 0.411 68 L N 2.953 124.201 121.223 0.041 0.000 2.603 68 L HA 0.229 4.568 4.340 -0.001 0.000 0.242 68 L C -1.526 175.437 176.870 0.154 0.000 1.169 68 L CA -1.130 53.727 54.840 0.030 0.000 1.029 68 L CB 0.418 42.489 42.059 0.020 0.000 1.361 68 L HN 0.027 nan 8.230 nan 0.000 0.439 69 P HA -0.140 nan 4.420 nan 0.000 0.223 69 P C 0.484 177.838 177.300 0.090 0.000 1.144 69 P CA 1.113 64.240 63.100 0.045 0.000 0.783 69 P CB 0.375 32.072 31.700 -0.004 0.000 0.771 70 N N -0.450 118.310 118.700 0.100 0.000 2.273 70 N HA 0.220 4.959 4.740 -0.001 0.000 0.231 70 N C 0.438 176.030 175.510 0.137 0.000 1.134 70 N CA -0.088 53.020 53.050 0.097 0.000 0.856 70 N CB 0.665 39.173 38.487 0.035 0.000 1.068 70 N HN 0.128 nan 8.380 nan 0.000 0.510 71 A N 0.110 123.077 122.820 0.246 0.000 2.257 71 A HA 0.468 4.787 4.320 -0.001 0.000 0.289 71 A C 0.336 178.018 177.584 0.164 0.000 1.095 71 A CA -0.354 51.751 52.037 0.113 0.000 0.836 71 A CB 0.796 19.747 19.000 -0.082 0.000 1.111 71 A HN -0.001 nan 8.150 nan 0.000 0.497 72 V N 1.962 121.892 119.914 0.027 0.000 2.338 72 V HA 0.116 4.235 4.120 -0.001 0.000 0.255 72 V C -1.115 174.992 176.094 0.021 0.000 1.082 72 V CA 0.057 62.410 62.300 0.088 0.000 0.951 72 V CB -1.169 30.691 31.823 0.061 0.000 1.102 72 V HN 0.590 nan 8.190 nan 0.000 0.489 73 Y N 5.561 125.927 120.300 0.110 0.000 2.452 73 Y HA 0.514 5.069 4.550 0.009 0.000 0.348 73 Y C 0.256 176.280 175.900 0.206 0.000 0.985 73 Y CA -0.450 57.747 58.100 0.162 0.000 1.214 73 Y CB 0.490 39.075 38.460 0.208 0.000 1.136 73 Y HN 0.432 nan 8.280 nan 0.000 0.523 74 L N 6.718 128.102 121.223 0.268 0.000 2.346 74 L HA 0.565 4.905 4.340 -0.001 0.000 0.274 74 L C -2.292 174.775 176.870 0.329 0.000 1.007 74 L CA -2.367 52.622 54.840 0.247 0.000 0.818 74 L CB 2.344 44.499 42.059 0.160 0.000 1.284 74 L HN 0.364 nan 8.230 nan 0.000 0.424 75 P HA 0.082 nan 4.420 nan 0.000 0.275 75 P C -0.734 176.699 177.300 0.221 0.000 1.228 75 P CA -0.619 62.687 63.100 0.343 0.000 0.786 75 P CB 1.111 32.922 31.700 0.184 0.000 0.927 76 M N 3.617 123.341 119.600 0.207 0.000 2.238 76 M HA 0.062 4.542 4.480 -0.001 0.000 0.350 76 M C 0.363 176.689 176.300 0.042 0.000 1.321 76 M CA 0.851 56.256 55.300 0.176 0.000 1.097 76 M CB -0.007 32.681 32.600 0.146 0.000 1.713 76 M HN 0.208 nan 8.290 nan 0.000 0.455 77 R N 3.916 124.342 120.500 -0.123 0.000 2.651 77 R HA 0.119 4.458 4.340 -0.001 0.000 0.282 77 R C 0.462 176.230 176.300 -0.887 0.000 1.565 77 R CA -0.446 55.395 56.100 -0.431 0.000 1.661 77 R CB 0.477 30.501 30.300 -0.461 0.000 1.189 77 R HN 0.678 nan 8.270 nan 0.000 0.621 78 K N 1.531 121.694 120.400 -0.395 0.000 2.074 78 K HA -0.217 4.103 4.320 -0.001 0.000 0.209 78 K C 1.021 177.454 176.600 -0.277 0.000 1.048 78 K CA 1.945 58.081 56.287 -0.251 0.000 0.926 78 K CB 0.335 32.784 32.500 -0.086 0.000 0.713 78 K HN 0.235 nan 8.250 nan 0.000 0.444 79 E N 0.066 120.132 120.200 -0.224 0.000 2.048 79 E HA -0.199 4.150 4.350 -0.001 0.000 0.202 79 E C 2.038 178.525 176.600 -0.188 0.000 1.021 79 E CA 1.739 58.055 56.400 -0.140 0.000 0.825 79 E CB -0.855 28.793 29.700 -0.087 0.000 0.756 79 E HN 0.113 nan 8.360 nan 0.000 0.454 80 V N 0.634 120.351 119.914 -0.328 0.000 2.250 80 V HA -0.323 3.796 4.120 -0.001 0.000 0.250 80 V C 2.142 178.100 176.094 -0.226 0.000 1.060 80 V CA 2.261 64.380 62.300 -0.301 0.000 1.030 80 V CB -0.902 30.679 31.823 -0.403 0.000 0.643 80 V HN 0.252 nan 8.190 nan 0.000 0.445 81 Y N 0.206 120.407 120.300 -0.165 0.000 2.256 81 Y HA -0.248 4.299 4.550 -0.005 0.000 0.288 81 Y C 2.586 178.503 175.900 0.028 0.000 1.155 81 Y CA 1.434 59.398 58.100 -0.227 0.000 1.203 81 Y CB -1.168 37.021 38.460 -0.452 0.000 0.980 81 Y HN 0.260 nan 8.280 nan 0.000 0.530 82 Q N 0.561 120.435 119.800 0.123 0.000 2.020 82 Q HA -0.196 4.143 4.340 -0.001 0.000 0.202 82 Q C 2.201 178.287 176.000 0.144 0.000 0.982 82 Q CA 2.021 57.916 55.803 0.153 0.000 0.838 82 Q CB -0.353 28.424 28.738 0.065 0.000 0.899 82 Q HN 0.559 nan 8.270 nan 0.000 0.423 83 Q N -0.931 118.912 119.800 0.072 0.000 2.096 83 Q HA -0.137 4.202 4.340 -0.001 0.000 0.204 83 Q C 2.087 178.146 176.000 0.100 0.000 0.982 83 Q CA 1.775 57.615 55.803 0.063 0.000 0.850 83 Q CB -0.073 28.678 28.738 0.021 0.000 0.901 83 Q HN 0.290 nan 8.270 nan 0.000 0.422 84 V N 0.391 120.380 119.914 0.125 0.000 2.332 84 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 84 V C 2.349 178.585 176.094 0.237 0.000 1.055 84 V CA 1.918 64.311 62.300 0.156 0.000 1.038 84 V CB -0.753 31.172 31.823 0.168 0.000 0.651 84 V HN 0.353 nan 8.190 nan 0.000 0.450 85 S N -0.086 115.856 115.700 0.404 0.000 2.356 85 S HA -0.211 4.258 4.470 -0.001 0.000 0.223 85 S C 2.251 176.995 174.600 0.241 0.000 1.032 85 S CA 2.050 60.512 58.200 0.437 0.000 1.005 85 S CB -0.352 63.169 63.200 0.535 0.000 0.867 85 S HN 0.637 nan 8.310 nan 0.000 0.449 86 S N 1.803 117.609 115.700 0.177 0.000 2.359 86 S HA -0.115 4.354 4.470 -0.001 0.000 0.223 86 S C 2.002 176.656 174.600 0.089 0.000 1.039 86 S CA 1.332 59.600 58.200 0.115 0.000 1.042 86 S CB -0.465 62.784 63.200 0.081 0.000 0.915 86 S HN 0.539 nan 8.310 nan 0.000 0.439 87 R N 0.633 121.177 120.500 0.074 0.000 2.083 87 R HA -0.043 4.296 4.340 -0.001 0.000 0.237 87 R C 2.271 178.592 176.300 0.035 0.000 1.137 87 R CA 1.514 57.641 56.100 0.045 0.000 0.951 87 R CB -0.657 29.662 30.300 0.031 0.000 0.851 87 R HN 0.420 nan 8.270 nan 0.000 0.434 88 I N 0.419 120.998 120.570 0.014 0.000 2.394 88 I HA -0.264 3.905 4.170 -0.001 0.000 0.251 88 I C 2.327 178.485 176.117 0.068 0.000 1.136 88 I CA 0.863 62.140 61.300 -0.038 0.000 1.425 88 I CB -0.174 37.651 38.000 -0.293 0.000 1.079 88 I HN 0.156 nan 8.210 nan 0.000 0.425 89 M N 0.349 120.023 119.600 0.123 0.000 2.077 89 M HA -0.156 4.323 4.480 -0.001 0.000 0.261 89 M C 2.017 178.374 176.300 0.094 0.000 1.070 89 M CA 1.673 57.045 55.300 0.121 0.000 1.125 89 M CB -1.565 31.103 32.600 0.113 0.000 1.339 89 M HN 0.228 nan 8.290 nan 0.000 0.409 90 N N 0.635 119.382 118.700 0.078 0.000 2.348 90 N HA -0.120 4.619 4.740 -0.001 0.000 0.185 90 N C 1.858 177.417 175.510 0.082 0.000 1.019 90 N CA 0.809 53.900 53.050 0.069 0.000 0.880 90 N CB -0.295 38.223 38.487 0.051 0.000 0.965 90 N HN 0.372 nan 8.380 nan 0.000 0.437 91 L N 0.550 121.825 121.223 0.087 0.000 2.027 91 L HA -0.063 4.277 4.340 -0.001 0.000 0.206 91 L C 2.022 179.019 176.870 0.212 0.000 1.074 91 L CA 0.910 55.820 54.840 0.116 0.000 0.745 91 L CB -0.141 41.962 42.059 0.074 0.000 0.898 91 L HN 0.124 nan 8.230 nan 0.000 0.433 92 L N -0.764 120.558 121.223 0.166 0.000 2.109 92 L HA -0.187 4.152 4.340 -0.001 0.000 0.207 92 L C 2.543 179.565 176.870 0.253 0.000 1.086 92 L CA 0.739 55.695 54.840 0.194 0.000 0.760 92 L CB -0.511 41.592 42.059 0.073 0.000 0.910 92 L HN 0.247 nan 8.230 nan 0.000 0.437 93 R N 1.184 121.778 120.500 0.157 0.000 2.371 93 R HA -0.188 4.151 4.340 -0.001 0.000 0.226 93 R C 0.931 177.295 176.300 0.107 0.000 1.132 93 R CA 1.200 57.370 56.100 0.117 0.000 1.027 93 R CB -0.040 30.308 30.300 0.081 0.000 0.848 93 R HN 0.559 nan 8.270 nan 0.000 0.479 94 E N -1.951 118.331 120.200 0.136 0.000 2.651 94 E HA -0.004 4.345 4.350 -0.001 0.000 0.213 94 E C -0.452 176.030 176.600 -0.197 0.000 1.028 94 E CA -0.245 56.142 56.400 -0.022 0.000 1.183 94 E CB 0.380 30.025 29.700 -0.093 0.000 1.188 94 E HN 0.308 nan 8.360 nan 0.000 0.444 95 Y N -0.101 120.216 120.300 0.028 0.000 2.666 95 Y HA 0.310 4.859 4.550 -0.001 0.000 0.260 95 Y C -0.009 175.913 175.900 0.037 0.000 1.089 95 Y CA -0.392 57.727 58.100 0.031 0.000 1.246 95 Y CB 1.924 40.403 38.460 0.032 0.000 1.353 95 Y HN 0.150 nan 8.280 nan 0.000 0.558 96 S N 0.544 116.336 115.700 0.154 0.000 2.232 96 S HA 0.004 4.473 4.470 -0.001 0.000 0.288 96 S C -0.719 173.938 174.600 0.095 0.000 0.681 96 S CA -0.562 57.704 58.200 0.110 0.000 0.814 96 S CB -0.258 63.016 63.200 0.124 0.000 1.227 96 S HN 0.245 nan 8.310 nan 0.000 0.439 97 E N 3.285 123.525 120.200 0.068 0.000 2.357 97 E HA 0.161 4.510 4.350 -0.001 0.000 0.194 97 E C 0.146 176.782 176.600 0.061 0.000 1.177 97 E CA 0.445 56.881 56.400 0.061 0.000 0.998 97 E CB -0.048 29.678 29.700 0.043 0.000 1.106 97 E HN 0.531 nan 8.360 nan 0.000 0.470 98 K N 0.670 121.113 120.400 0.072 0.000 3.122 98 K HA 0.281 4.600 4.320 -0.001 0.000 0.193 98 K C -0.390 176.264 176.600 0.091 0.000 1.141 98 K CA -0.250 56.080 56.287 0.071 0.000 0.975 98 K CB 0.719 33.258 32.500 0.065 0.000 1.173 98 K HN 0.217 nan 8.250 nan 0.000 0.546 99 I N 0.169 120.796 120.570 0.095 0.000 2.947 99 I HA 0.299 4.468 4.170 -0.001 0.000 0.314 99 I C -1.086 175.102 176.117 0.119 0.000 1.028 99 I CA -0.749 60.620 61.300 0.114 0.000 1.077 99 I CB 1.912 39.973 38.000 0.102 0.000 1.274 99 I HN 0.258 nan 8.210 nan 0.000 0.485 100 E N 5.719 126.014 120.200 0.158 0.000 2.283 100 E HA 0.327 4.676 4.350 -0.001 0.000 0.258 100 E C -1.484 175.223 176.600 0.177 0.000 0.893 100 E CA -0.572 55.929 56.400 0.169 0.000 0.798 100 E CB 1.257 31.080 29.700 0.205 0.000 1.242 100 E HN 0.552 nan 8.360 nan 0.000 0.414 101 I N 5.166 125.804 120.570 0.113 0.000 2.278 101 I HA 0.129 4.298 4.170 -0.001 0.000 0.300 101 I C 1.375 177.547 176.117 0.092 0.000 1.174 101 I CA -0.050 61.293 61.300 0.071 0.000 1.347 101 I CB 0.687 38.718 38.000 0.053 0.000 1.473 101 I HN 0.706 nan 8.210 nan 0.000 0.595 102 A N 4.372 127.276 122.820 0.141 0.000 1.908 102 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 102 A C 1.258 178.896 177.584 0.090 0.000 1.181 102 A CA 1.882 54.025 52.037 0.178 0.000 0.627 102 A CB -0.165 19.035 19.000 0.334 0.000 0.818 102 A HN 0.676 nan 8.150 nan 0.000 0.445 103 S N -3.455 112.259 115.700 0.024 0.000 2.672 103 S HA 0.442 4.911 4.470 -0.001 0.000 0.271 103 S C 0.557 175.149 174.600 -0.013 0.000 1.171 103 S CA 0.062 58.275 58.200 0.021 0.000 0.817 103 S CB 0.042 63.255 63.200 0.021 0.000 1.150 103 S HN 0.491 nan 8.310 nan 0.000 0.478 104 I N 1.052 121.667 120.570 0.075 0.000 2.761 104 I HA -0.128 4.041 4.170 -0.001 0.000 0.266 104 I C 0.725 176.843 176.117 0.003 0.000 1.239 104 I CA 2.336 63.733 61.300 0.162 0.000 1.451 104 I CB -0.206 38.008 38.000 0.357 0.000 1.096 104 I HN 0.824 nan 8.210 nan 0.000 0.465 105 D N -0.922 119.289 120.400 -0.314 0.000 2.563 105 D HA 0.096 4.735 4.640 -0.001 0.000 0.256 105 D C -0.123 175.456 176.300 -1.202 0.000 1.400 105 D CA -0.199 53.171 54.000 -1.050 0.000 0.800 105 D CB 0.076 40.509 40.800 -0.612 0.000 1.145 105 D HN 0.281 nan 8.370 nan 0.000 0.501 106 E N 0.300 120.080 120.200 -0.700 0.000 2.288 106 E HA 0.744 5.093 4.350 -0.001 0.000 0.268 106 E C -1.122 175.209 176.600 -0.449 0.000 0.885 106 E CA -1.234 54.834 56.400 -0.555 0.000 0.767 106 E CB 2.644 32.266 29.700 -0.130 0.000 1.220 106 E HN 0.222 nan 8.360 nan 0.000 0.427 107 A N 2.130 124.635 122.820 -0.525 0.000 2.555 107 A HA 0.544 4.863 4.320 -0.001 0.000 0.297 107 A C -2.036 175.391 177.584 -0.262 0.000 1.060 107 A CA -0.698 51.178 52.037 -0.270 0.000 0.710 107 A CB 0.780 19.645 19.000 -0.225 0.000 1.282 107 A HN 0.533 nan 8.150 nan 0.000 0.399 108 Y N 1.422 121.800 120.300 0.130 0.000 2.328 108 Y HA 0.593 5.143 4.550 -0.001 0.000 0.337 108 Y C -0.057 175.908 175.900 0.108 0.000 0.966 108 Y CA -0.445 57.765 58.100 0.183 0.000 1.136 108 Y CB 1.807 40.373 38.460 0.177 0.000 1.170 108 Y HN 0.550 nan 8.280 nan 0.000 0.470 109 L N 4.304 125.656 121.223 0.216 0.000 2.298 109 L HA 0.286 4.625 4.340 -0.001 0.000 0.284 109 L C -0.265 176.703 176.870 0.164 0.000 1.013 109 L CA -0.597 54.336 54.840 0.154 0.000 0.824 109 L CB 1.096 43.209 42.059 0.090 0.000 1.221 109 L HN 0.638 nan 8.230 nan 0.000 0.418 110 D N 5.555 126.043 120.400 0.147 0.000 2.352 110 D HA 0.110 4.750 4.640 -0.001 0.000 0.245 110 D C 0.677 177.044 176.300 0.112 0.000 1.224 110 D CA -0.255 53.821 54.000 0.127 0.000 0.879 110 D CB 1.073 41.935 40.800 0.104 0.000 1.057 110 D HN 0.582 nan 8.370 nan 0.000 0.491 111 I N 1.012 121.650 120.570 0.113 0.000 3.914 111 I HA 0.084 4.254 4.170 -0.001 0.000 0.333 111 I C 1.159 177.325 176.117 0.081 0.000 1.449 111 I CA -0.624 60.738 61.300 0.104 0.000 1.135 111 I CB 0.249 38.319 38.000 0.116 0.000 1.073 111 I HN 0.011 nan 8.210 nan 0.000 0.401 112 S N 1.970 117.712 115.700 0.070 0.000 2.377 112 S HA -0.227 4.242 4.470 -0.001 0.000 0.224 112 S C 1.159 175.781 174.600 0.036 0.000 1.042 112 S CA 2.389 60.615 58.200 0.045 0.000 1.086 112 S CB -0.432 62.792 63.200 0.039 0.000 0.995 112 S HN 0.629 nan 8.310 nan 0.000 0.428 113 D N 0.869 121.293 120.400 0.041 0.000 2.087 113 D HA -0.044 4.595 4.640 -0.001 0.000 0.218 113 D C 1.915 178.239 176.300 0.041 0.000 0.982 113 D CA 1.099 55.120 54.000 0.035 0.000 0.900 113 D CB -0.159 40.663 40.800 0.036 0.000 1.072 113 D HN 0.051 nan 8.370 nan 0.000 0.459 114 K N -0.870 119.561 120.400 0.052 0.000 2.270 114 K HA -0.107 4.212 4.320 -0.001 0.000 0.208 114 K C -0.409 176.227 176.600 0.060 0.000 1.041 114 K CA 0.882 57.205 56.287 0.060 0.000 0.935 114 K CB -0.197 32.356 32.500 0.087 0.000 0.731 114 K HN 0.047 nan 8.250 nan 0.000 0.482 115 V N -0.874 119.076 119.914 0.059 0.000 2.903 115 V HA 0.241 4.360 4.120 -0.001 0.000 0.289 115 V C -1.548 174.569 176.094 0.039 0.000 1.355 115 V CA -1.079 61.253 62.300 0.054 0.000 0.953 115 V CB 2.063 33.932 31.823 0.077 0.000 1.102 115 V HN 0.054 nan 8.190 nan 0.000 0.435 116 R N 3.438 123.949 120.500 0.018 0.000 2.589 116 R HA 0.790 5.129 4.340 -0.001 0.000 0.293 116 R C -0.985 175.303 176.300 -0.019 0.000 0.963 116 R CA 0.223 56.316 56.100 -0.013 0.000 0.905 116 R CB 1.370 31.657 30.300 -0.022 0.000 1.144 116 R HN 0.902 nan 8.270 nan 0.000 0.459 117 D N 2.049 122.407 120.400 -0.070 0.000 10.707 117 D HA -0.157 4.482 4.640 -0.001 0.000 0.303 117 D C -0.918 175.396 176.300 0.023 0.000 3.131 117 D CA -0.067 53.895 54.000 -0.064 0.000 2.862 117 D CB -0.497 40.303 40.800 -0.000 0.000 1.202 117 D HN 0.501 nan 8.370 nan 0.000 0.940 118 Y N 1.841 122.173 120.300 0.053 0.000 2.578 118 Y HA 0.177 4.727 4.550 -0.001 0.000 0.297 118 Y C 2.342 178.302 175.900 0.100 0.000 1.176 118 Y CA 1.126 59.273 58.100 0.077 0.000 1.315 118 Y CB -0.049 38.452 38.460 0.068 0.000 1.031 118 Y HN 0.424 nan 8.280 nan 0.000 0.524 119 R N 0.070 120.695 120.500 0.209 0.000 2.062 119 R HA -0.076 4.263 4.340 -0.001 0.000 0.218 119 R C 1.931 178.297 176.300 0.109 0.000 1.161 119 R CA 1.070 57.241 56.100 0.118 0.000 0.994 119 R CB -0.051 30.280 30.300 0.052 0.000 0.888 119 R HN 0.047 nan 8.270 nan 0.000 0.442 120 E N 0.751 121.008 120.200 0.096 0.000 2.268 120 E HA -0.050 4.300 4.350 -0.001 0.000 0.195 120 E C 1.451 178.131 176.600 0.134 0.000 0.995 120 E CA 1.348 57.802 56.400 0.090 0.000 0.836 120 E CB -0.018 29.721 29.700 0.065 0.000 0.763 120 E HN 0.461 nan 8.360 nan 0.000 0.491 121 A N -0.326 122.597 122.820 0.172 0.000 1.897 121 A HA -0.141 4.178 4.320 -0.001 0.000 0.215 121 A C 2.226 179.947 177.584 0.227 0.000 1.181 121 A CA 1.317 53.468 52.037 0.191 0.000 0.620 121 A CB -0.954 18.184 19.000 0.230 0.000 0.821 121 A HN 0.563 nan 8.150 nan 0.000 0.443 122 Y N 0.994 121.348 120.300 0.091 0.000 2.114 122 Y HA -0.228 4.321 4.550 -0.001 0.000 0.284 122 Y C 1.954 177.875 175.900 0.035 0.000 1.143 122 Y CA 1.498 59.630 58.100 0.053 0.000 1.135 122 Y CB -0.171 38.315 38.460 0.043 0.000 0.980 122 Y HN 0.298 nan 8.280 nan 0.000 0.499 123 N N 1.073 119.994 118.700 0.368 0.000 2.585 123 N HA -0.146 4.593 4.740 -0.001 0.000 0.188 123 N C 1.356 176.969 175.510 0.172 0.000 1.102 123 N CA 0.863 54.040 53.050 0.211 0.000 0.920 123 N CB -0.125 38.398 38.487 0.060 0.000 0.963 123 N HN 0.404 nan 8.380 nan 0.000 0.447 124 L N -0.108 121.214 121.223 0.165 0.000 2.477 124 L HA 0.258 4.597 4.340 -0.001 0.000 0.220 124 L C 1.910 178.800 176.870 0.034 0.000 1.106 124 L CA 0.516 55.424 54.840 0.113 0.000 0.851 124 L CB -0.347 41.786 42.059 0.122 0.000 0.994 124 L HN -0.008 nan 8.230 nan 0.000 0.462 125 G N -0.166 108.669 108.800 0.058 0.000 2.404 125 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.214 125 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.214 125 G C 1.406 176.289 174.900 -0.027 0.000 1.189 125 G CA 0.850 45.928 45.100 -0.036 0.000 0.789 125 G HN 0.359 nan 8.290 nan 0.000 0.533 126 L N 0.149 121.413 121.223 0.068 0.000 2.141 126 L HA 0.042 4.381 4.340 -0.001 0.000 0.209 126 L C 2.623 179.513 176.870 0.034 0.000 1.094 126 L CA 0.837 55.713 54.840 0.061 0.000 0.763 126 L CB -0.517 41.621 42.059 0.132 0.000 0.908 126 L HN 0.267 nan 8.230 nan 0.000 0.437 127 E N 0.391 120.621 120.200 0.050 0.000 2.265 127 E HA -0.160 4.189 4.350 -0.001 0.000 0.196 127 E C 2.114 178.725 176.600 0.017 0.000 0.996 127 E CA 0.983 57.425 56.400 0.069 0.000 0.832 127 E CB 0.145 29.923 29.700 0.131 0.000 0.756 127 E HN 0.561 nan 8.360 nan 0.000 0.491 128 I N -0.483 120.023 120.570 -0.108 0.000 3.445 128 I HA -0.078 4.091 4.170 -0.001 0.000 0.288 128 I C 2.224 178.254 176.117 -0.145 0.000 1.198 128 I CA 0.163 61.312 61.300 -0.251 0.000 1.417 128 I CB 0.157 37.863 38.000 -0.490 0.000 1.205 128 I HN -0.125 nan 8.210 nan 0.000 0.448 129 K N 1.143 121.482 120.400 -0.102 0.000 2.211 129 K HA -0.183 4.136 4.320 -0.001 0.000 0.203 129 K C 1.791 178.362 176.600 -0.049 0.000 1.050 129 K CA 1.490 57.730 56.287 -0.078 0.000 0.945 129 K CB 0.031 32.492 32.500 -0.065 0.000 0.732 129 K HN 0.154 nan 8.250 nan 0.000 0.451 130 N N 0.830 119.515 118.700 -0.025 0.000 2.207 130 N HA -0.142 4.597 4.740 -0.001 0.000 0.182 130 N C 1.613 177.119 175.510 -0.007 0.000 1.020 130 N CA 1.124 54.170 53.050 -0.007 0.000 0.858 130 N CB 0.074 38.569 38.487 0.013 0.000 0.991 130 N HN 0.069 nan 8.380 nan 0.000 0.427 131 K N 0.513 120.914 120.400 0.002 0.000 2.026 131 K HA -0.075 4.244 4.320 -0.001 0.000 0.208 131 K C 1.875 178.468 176.600 -0.011 0.000 1.048 131 K CA 1.288 57.586 56.287 0.018 0.000 0.929 131 K CB -0.223 32.320 32.500 0.072 0.000 0.713 131 K HN 0.233 nan 8.250 nan 0.000 0.439 132 I N 1.199 121.742 120.570 -0.046 0.000 2.264 132 I HA -0.263 3.906 4.170 -0.001 0.000 0.248 132 I C 2.316 178.387 176.117 -0.077 0.000 1.111 132 I CA 0.537 61.786 61.300 -0.085 0.000 1.382 132 I CB -0.226 37.688 38.000 -0.144 0.000 1.060 132 I HN 0.284 nan 8.210 nan 0.000 0.418 133 L N 0.810 121.999 121.223 -0.058 0.000 2.093 133 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 133 L C 2.234 179.088 176.870 -0.026 0.000 1.085 133 L CA 1.838 56.653 54.840 -0.042 0.000 0.755 133 L CB -0.794 41.248 42.059 -0.028 0.000 0.904 133 L HN 0.230 nan 8.230 nan 0.000 0.435 134 E N -0.589 119.601 120.200 -0.017 0.000 2.005 134 E HA -0.182 4.167 4.350 -0.001 0.000 0.191 134 E C 2.045 178.639 176.600 -0.009 0.000 0.987 134 E CA 0.774 57.170 56.400 -0.007 0.000 0.814 134 E CB -0.055 29.646 29.700 0.003 0.000 0.772 134 E HN 0.362 nan 8.360 nan 0.000 0.453 135 K N -0.245 120.150 120.400 -0.008 0.000 2.281 135 K HA -0.136 4.183 4.320 -0.001 0.000 0.203 135 K C 0.744 177.333 176.600 -0.018 0.000 1.046 135 K CA 0.983 57.266 56.287 -0.008 0.000 0.938 135 K CB 0.171 32.671 32.500 -0.000 0.000 0.737 135 K HN 0.163 nan 8.250 nan 0.000 0.458 136 E N -0.505 119.675 120.200 -0.033 0.000 2.744 136 E HA 0.060 4.409 4.350 -0.001 0.000 0.210 136 E C -0.885 175.690 176.600 -0.040 0.000 0.950 136 E CA -0.041 56.336 56.400 -0.038 0.000 1.282 136 E CB 0.766 30.430 29.700 -0.061 0.000 1.123 136 E HN 0.082 nan 8.360 nan 0.000 0.544 137 K N 1.434 121.812 120.400 -0.035 0.000 3.490 137 K HA -0.170 4.149 4.320 -0.001 0.000 0.273 137 K C -0.346 176.230 176.600 -0.040 0.000 0.916 137 K CA 0.644 56.915 56.287 -0.028 0.000 0.718 137 K CB -0.910 31.583 32.500 -0.012 0.000 1.477 137 K HN 0.145 nan 8.250 nan 0.000 0.452 138 I N 1.188 121.717 120.570 -0.069 0.000 2.498 138 I HA 0.136 4.305 4.170 -0.001 0.000 0.290 138 I C 0.856 176.926 176.117 -0.079 0.000 1.032 138 I CA -0.462 60.783 61.300 -0.091 0.000 1.073 138 I CB 2.003 39.896 38.000 -0.179 0.000 1.251 138 I HN 0.172 nan 8.210 nan 0.000 0.426 139 T N 3.452 117.987 114.554 -0.032 0.000 2.771 139 T HA 0.656 5.005 4.350 -0.001 0.000 0.291 139 T C -0.201 174.498 174.700 -0.002 0.000 0.954 139 T CA -0.659 61.437 62.100 -0.007 0.000 1.045 139 T CB 1.247 70.142 68.868 0.044 0.000 0.917 139 T HN 0.456 nan 8.240 nan 0.000 0.484 140 V N 0.264 120.163 119.914 -0.025 0.000 2.577 140 V HA 0.667 4.786 4.120 -0.001 0.000 0.303 140 V C -0.095 175.966 176.094 -0.055 0.000 1.042 140 V CA -0.833 61.462 62.300 -0.009 0.000 0.872 140 V CB 1.372 33.200 31.823 0.008 0.000 0.998 140 V HN 0.931 nan 8.190 nan 0.000 0.423 141 T N 4.191 118.705 114.554 -0.066 0.000 2.910 141 T HA 0.612 4.961 4.350 -0.001 0.000 0.293 141 T C -0.029 174.582 174.700 -0.148 0.000 1.015 141 T CA -0.183 61.864 62.100 -0.088 0.000 1.094 141 T CB 1.482 70.321 68.868 -0.049 0.000 0.968 141 T HN 0.760 nan 8.240 nan 0.000 0.521 142 V N 1.681 121.516 119.914 -0.131 0.000 2.628 142 V HA 0.800 4.919 4.120 -0.001 0.000 0.306 142 V C 0.550 176.608 176.094 -0.058 0.000 1.045 142 V CA -0.855 61.362 62.300 -0.137 0.000 0.905 142 V CB 1.958 33.687 31.823 -0.157 0.000 0.997 142 V HN 1.040 nan 8.190 nan 0.000 0.436 143 G N 3.579 112.408 108.800 0.050 0.000 2.513 143 G HA2 0.813 4.772 3.960 -0.001 0.000 0.317 143 G HA3 0.813 4.772 3.960 -0.001 0.000 0.317 143 G C -1.288 173.679 174.900 0.112 0.000 1.277 143 G CA -0.501 44.675 45.100 0.126 0.000 0.955 143 G HN 0.595 nan 8.290 nan 0.000 0.484 144 I N 1.248 121.850 120.570 0.054 0.000 2.571 144 I HA 0.624 4.793 4.170 -0.001 0.000 0.289 144 I C -0.113 176.039 176.117 0.057 0.000 1.115 144 I CA -0.462 60.883 61.300 0.075 0.000 1.045 144 I CB 2.256 40.277 38.000 0.036 0.000 1.238 144 I HN 0.623 nan 8.210 nan 0.000 0.424 145 S N 3.680 119.480 115.700 0.166 0.000 2.680 145 S HA 0.275 4.745 4.470 -0.001 0.000 0.276 145 S C 0.327 175.078 174.600 0.252 0.000 1.189 145 S CA -0.574 57.740 58.200 0.190 0.000 0.909 145 S CB 1.424 64.702 63.200 0.130 0.000 1.227 145 S HN 0.675 nan 8.310 nan 0.000 0.501 146 K N 0.344 120.868 120.400 0.206 0.000 2.097 146 K HA -0.080 4.239 4.320 -0.001 0.000 0.206 146 K C 0.175 176.867 176.600 0.154 0.000 1.049 146 K CA 1.926 58.304 56.287 0.152 0.000 0.933 146 K CB -0.307 32.242 32.500 0.081 0.000 0.717 146 K HN 0.601 nan 8.250 nan 0.000 0.442 147 N N -2.066 116.740 118.700 0.177 0.000 2.455 147 N HA 0.123 4.862 4.740 -0.001 0.000 0.278 147 N C -0.322 175.280 175.510 0.153 0.000 1.291 147 N CA -0.824 52.352 53.050 0.211 0.000 0.780 147 N CB 1.014 39.725 38.487 0.373 0.000 1.520 147 N HN -0.308 nan 8.380 nan 0.000 0.486 148 K N -0.345 120.116 120.400 0.101 0.000 2.089 148 K HA -0.146 4.173 4.320 -0.001 0.000 0.210 148 K C 1.305 177.852 176.600 -0.088 0.000 1.048 148 K CA 1.808 58.054 56.287 -0.068 0.000 0.926 148 K CB -0.520 31.667 32.500 -0.522 0.000 0.714 148 K HN 0.351 nan 8.250 nan 0.000 0.448 149 V N 0.521 120.295 119.914 -0.234 0.000 2.407 149 V HA -0.219 3.900 4.120 -0.001 0.000 0.248 149 V C 1.895 177.813 176.094 -0.292 0.000 1.055 149 V CA 1.707 63.810 62.300 -0.327 0.000 1.049 149 V CB -0.455 31.002 31.823 -0.610 0.000 0.662 149 V HN 0.181 nan 8.190 nan 0.000 0.455 150 F N -0.068 119.768 119.950 -0.189 0.000 2.473 150 F HA 0.196 4.723 4.527 -0.001 0.000 0.294 150 F C 2.265 178.015 175.800 -0.083 0.000 1.103 150 F CA 0.778 58.702 58.000 -0.126 0.000 1.442 150 F CB -0.442 38.502 39.000 -0.093 0.000 1.097 150 F HN 0.054 nan 8.300 nan 0.000 0.547 151 A N 0.090 122.972 122.820 0.104 0.000 1.898 151 A HA -0.224 4.095 4.320 -0.001 0.000 0.216 151 A C 2.135 179.696 177.584 -0.039 0.000 1.181 151 A CA 1.908 54.011 52.037 0.109 0.000 0.620 151 A CB -0.603 18.529 19.000 0.221 0.000 0.819 151 A HN 0.263 nan 8.150 nan 0.000 0.442 152 K N 0.347 120.531 120.400 -0.361 0.000 2.032 152 K HA -0.084 4.235 4.320 -0.001 0.000 0.209 152 K C 1.599 178.008 176.600 -0.318 0.000 1.048 152 K CA 1.918 57.708 56.287 -0.828 0.000 0.927 152 K CB -0.542 31.509 32.500 -0.747 0.000 0.712 152 K HN 0.484 nan 8.250 nan 0.000 0.441 153 I N 0.609 121.019 120.570 -0.267 0.000 2.286 153 I HA -0.241 3.928 4.170 -0.001 0.000 0.248 153 I C 2.359 178.416 176.117 -0.101 0.000 1.115 153 I CA 1.034 62.199 61.300 -0.226 0.000 1.392 153 I CB -0.482 37.274 38.000 -0.406 0.000 1.065 153 I HN 0.323 nan 8.210 nan 0.000 0.418 154 A N 0.989 123.784 122.820 -0.041 0.000 1.883 154 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 154 A C 2.576 180.171 177.584 0.017 0.000 1.186 154 A CA 2.057 54.096 52.037 0.004 0.000 0.624 154 A CB -0.867 18.149 19.000 0.027 0.000 0.822 154 A HN 0.427 nan 8.150 nan 0.000 0.444 155 A N 0.103 122.973 122.820 0.084 0.000 1.858 155 A HA -0.185 4.134 4.320 -0.001 0.000 0.216 155 A C 1.707 179.329 177.584 0.064 0.000 1.190 155 A CA 1.823 53.923 52.037 0.106 0.000 0.617 155 A CB -0.730 18.437 19.000 0.279 0.000 0.827 155 A HN 0.462 nan 8.150 nan 0.000 0.443 156 D N -0.350 120.083 120.400 0.054 0.000 2.271 156 D HA -0.153 4.487 4.640 -0.001 0.000 0.207 156 D C 1.799 178.102 176.300 0.005 0.000 0.983 156 D CA 1.216 55.229 54.000 0.022 0.000 0.878 156 D CB -0.284 40.504 40.800 -0.019 0.000 0.920 156 D HN 0.516 nan 8.370 nan 0.000 0.479 157 M N -0.534 119.062 119.600 -0.006 0.000 2.476 157 M HA 0.112 4.591 4.480 -0.001 0.000 0.262 157 M C 1.905 178.199 176.300 -0.011 0.000 1.111 157 M CA 0.428 55.720 55.300 -0.013 0.000 1.127 157 M CB 0.362 32.949 32.600 -0.021 0.000 1.376 157 M HN -0.054 nan 8.290 nan 0.000 0.465 158 A N 1.079 123.892 122.820 -0.012 0.000 2.169 158 A HA 0.053 4.372 4.320 -0.001 0.000 0.210 158 A C 0.879 178.447 177.584 -0.027 0.000 1.168 158 A CA -0.144 51.877 52.037 -0.027 0.000 0.813 158 A CB -0.204 18.769 19.000 -0.046 0.000 0.861 158 A HN 0.476 nan 8.150 nan 0.000 0.481 159 K N 1.377 121.775 120.400 -0.003 0.000 2.440 159 K HA 0.318 4.637 4.320 -0.001 0.000 0.270 159 K C -2.411 174.161 176.600 -0.045 0.000 0.980 159 K CA -0.844 55.443 56.287 -0.000 0.000 0.953 159 K CB 0.068 32.615 32.500 0.078 0.000 0.925 159 K HN 0.141 nan 8.250 nan 0.000 0.497 160 P HA 0.092 nan 4.420 nan 0.000 0.301 160 P C -0.850 176.367 177.300 -0.138 0.000 1.309 160 P CA -0.624 62.358 63.100 -0.196 0.000 0.782 160 P CB 0.349 31.724 31.700 -0.541 0.000 1.282 161 N N -1.553 117.099 118.700 -0.079 0.000 2.696 161 N HA -0.162 4.577 4.740 -0.001 0.000 0.254 161 N C 0.079 175.549 175.510 -0.066 0.000 0.988 161 N CA 1.216 54.230 53.050 -0.061 0.000 0.775 161 N CB -1.230 37.221 38.487 -0.060 0.000 0.933 161 N HN 0.735 nan 8.380 nan 0.000 0.539 162 G N -0.672 108.087 108.800 -0.069 0.000 3.175 162 G HA2 0.805 4.764 3.960 -0.001 0.000 0.255 162 G HA3 0.805 4.764 3.960 -0.001 0.000 0.255 162 G C -0.953 173.887 174.900 -0.099 0.000 1.352 162 G CA -0.369 44.688 45.100 -0.072 0.000 1.037 162 G HN 0.468 nan 8.290 nan 0.000 0.556 163 I N -1.004 119.490 120.570 -0.126 0.000 2.828 163 I HA 0.645 4.814 4.170 -0.001 0.000 0.295 163 I C -1.740 174.242 176.117 -0.225 0.000 1.459 163 I CA -0.837 60.332 61.300 -0.219 0.000 1.015 163 I CB 2.268 40.048 38.000 -0.367 0.000 1.345 163 I HN 0.625 nan 8.210 nan 0.000 0.449 164 K N 5.546 125.810 120.400 -0.226 0.000 2.562 164 K HA 0.624 4.943 4.320 -0.001 0.000 0.267 164 K C -2.405 174.098 176.600 -0.161 0.000 0.938 164 K CA -0.615 55.574 56.287 -0.163 0.000 0.840 164 K CB 2.612 35.064 32.500 -0.080 0.000 1.390 164 K HN 0.384 nan 8.250 nan 0.000 0.428 165 V N 5.667 125.496 119.914 -0.142 0.000 2.487 165 V HA 0.529 4.648 4.120 -0.001 0.000 0.298 165 V C -0.954 175.026 176.094 -0.190 0.000 1.028 165 V CA -0.703 61.486 62.300 -0.184 0.000 0.860 165 V CB 1.467 33.169 31.823 -0.201 0.000 0.991 165 V HN 0.694 nan 8.190 nan 0.000 0.427 166 I N 6.752 127.207 120.570 -0.191 0.000 2.442 166 I HA 0.293 4.462 4.170 -0.001 0.000 0.279 166 I C 0.340 176.313 176.117 -0.240 0.000 1.081 166 I CA -0.682 60.544 61.300 -0.124 0.000 1.197 166 I CB 0.762 38.799 38.000 0.061 0.000 1.394 166 I HN 0.790 nan 8.210 nan 0.000 0.488 167 D N 2.562 122.774 120.400 -0.314 0.000 2.273 167 D HA -0.082 4.558 4.640 -0.001 0.000 0.247 167 D C 0.491 176.787 176.300 -0.006 0.000 1.313 167 D CA 0.034 53.908 54.000 -0.210 0.000 0.974 167 D CB 0.700 41.466 40.800 -0.058 0.000 1.157 167 D HN 0.333 nan 8.370 nan 0.000 0.533 168 D N -1.791 118.685 120.400 0.127 0.000 2.312 168 D HA -0.086 4.553 4.640 -0.001 0.000 0.211 168 D C 1.392 177.672 176.300 -0.033 0.000 0.964 168 D CA 0.559 54.575 54.000 0.027 0.000 0.877 168 D CB 0.047 40.881 40.800 0.057 0.000 0.924 168 D HN 0.412 nan 8.370 nan 0.000 0.515 169 E N 1.071 121.262 120.200 -0.015 0.000 2.075 169 E HA -0.140 4.209 4.350 -0.001 0.000 0.190 169 E C 1.826 178.399 176.600 -0.045 0.000 0.969 169 E CA 0.673 57.059 56.400 -0.025 0.000 0.815 169 E CB 0.041 29.739 29.700 -0.004 0.000 0.776 169 E HN 0.354 nan 8.360 nan 0.000 0.457 170 E N 0.310 120.481 120.200 -0.048 0.000 2.085 170 E HA -0.140 4.209 4.350 -0.001 0.000 0.194 170 E C 2.164 178.726 176.600 -0.063 0.000 0.994 170 E CA 1.511 57.890 56.400 -0.036 0.000 0.801 170 E CB 0.090 29.775 29.700 -0.025 0.000 0.743 170 E HN 0.071 nan 8.360 nan 0.000 0.453 171 V N 1.547 121.343 119.914 -0.197 0.000 2.317 171 V HA -0.338 3.781 4.120 -0.001 0.000 0.251 171 V C 2.306 178.257 176.094 -0.238 0.000 1.065 171 V CA 2.357 64.363 62.300 -0.490 0.000 1.049 171 V CB -0.512 30.873 31.823 -0.730 0.000 0.651 171 V HN 0.294 nan 8.190 nan 0.000 0.450 172 K N -0.408 119.908 120.400 -0.140 0.000 2.097 172 K HA -0.187 4.133 4.320 -0.001 0.000 0.205 172 K C 2.385 178.973 176.600 -0.021 0.000 1.050 172 K CA 1.500 57.746 56.287 -0.069 0.000 0.938 172 K CB -0.237 32.232 32.500 -0.051 0.000 0.718 172 K HN 0.362 nan 8.250 nan 0.000 0.442 173 R N 1.263 121.757 120.500 -0.010 0.000 2.092 173 R HA -0.054 4.285 4.340 -0.001 0.000 0.231 173 R C 2.202 178.523 176.300 0.035 0.000 1.119 173 R CA 0.869 56.975 56.100 0.010 0.000 0.970 173 R CB -0.115 30.191 30.300 0.009 0.000 0.864 173 R HN 0.113 nan 8.270 nan 0.000 0.440 174 L N 0.458 121.727 121.223 0.077 0.000 2.005 174 L HA -0.158 4.181 4.340 -0.001 0.000 0.207 174 L C 2.404 179.341 176.870 0.112 0.000 1.072 174 L CA 1.348 56.264 54.840 0.127 0.000 0.744 174 L CB -0.381 41.858 42.059 0.299 0.000 0.895 174 L HN 0.281 nan 8.230 nan 0.000 0.433 175 I N 0.160 120.816 120.570 0.144 0.000 2.381 175 I HA -0.348 3.822 4.170 -0.001 0.000 0.255 175 I C 2.566 178.705 176.117 0.037 0.000 1.140 175 I CA 1.630 62.988 61.300 0.096 0.000 1.404 175 I CB -0.337 37.701 38.000 0.064 0.000 1.075 175 I HN 0.404 nan 8.210 nan 0.000 0.433 176 R N 0.166 120.682 120.500 0.028 0.000 2.290 176 R HA 0.071 4.410 4.340 -0.001 0.000 0.197 176 R C 1.554 177.858 176.300 0.008 0.000 0.913 176 R CA 0.539 56.646 56.100 0.012 0.000 1.040 176 R CB 0.168 30.472 30.300 0.007 0.000 0.992 176 R HN 0.230 nan 8.270 nan 0.000 0.500 177 E N 0.235 120.443 120.200 0.013 0.000 2.441 177 E HA 0.076 4.425 4.350 -0.001 0.000 0.212 177 E C -0.287 176.312 176.600 -0.003 0.000 0.840 177 E CA -0.319 56.084 56.400 0.005 0.000 1.143 177 E CB 0.353 30.057 29.700 0.007 0.000 1.153 177 E HN 0.124 nan 8.360 nan 0.000 0.539 178 L N 3.444 124.667 121.223 0.000 0.000 2.540 178 L HA 0.015 4.355 4.340 -0.001 0.000 0.276 178 L C 0.163 177.011 176.870 -0.037 0.000 1.212 178 L CA 0.359 55.183 54.840 -0.026 0.000 0.893 178 L CB 0.333 42.364 42.059 -0.047 0.000 1.138 178 L HN -0.153 nan 8.230 nan 0.000 0.491 179 D N 4.090 124.465 120.400 -0.042 0.000 2.401 179 D HA -0.094 4.545 4.640 -0.001 0.000 0.254 179 D C 1.365 177.635 176.300 -0.051 0.000 1.192 179 D CA 0.005 53.981 54.000 -0.040 0.000 0.885 179 D CB 0.697 41.475 40.800 -0.038 0.000 1.147 179 D HN 0.665 nan 8.370 nan 0.000 0.478 180 I N 5.063 125.607 120.570 -0.045 0.000 2.229 180 I HA -0.332 3.837 4.170 -0.001 0.000 0.250 180 I C 2.127 178.217 176.117 -0.046 0.000 1.096 180 I CA 1.885 63.156 61.300 -0.048 0.000 1.358 180 I CB -0.185 37.794 38.000 -0.036 0.000 1.047 180 I HN 0.561 nan 8.210 nan 0.000 0.422 181 A N -0.950 121.846 122.820 -0.040 0.000 2.125 181 A HA -0.180 4.140 4.320 -0.001 0.000 0.219 181 A C 1.738 179.292 177.584 -0.049 0.000 1.156 181 A CA 1.798 53.812 52.037 -0.038 0.000 0.671 181 A CB -0.615 18.364 19.000 -0.034 0.000 0.794 181 A HN 0.506 nan 8.150 nan 0.000 0.459 182 D N -0.466 119.896 120.400 -0.064 0.000 2.342 182 D HA 0.181 4.820 4.640 -0.001 0.000 0.221 182 D C -0.246 175.988 176.300 -0.111 0.000 1.101 182 D CA 0.165 54.116 54.000 -0.081 0.000 0.837 182 D CB 0.448 41.197 40.800 -0.085 0.000 0.938 182 D HN 0.134 nan 8.370 nan 0.000 0.508 183 V N 2.453 122.309 119.914 -0.096 0.000 2.461 183 V HA 0.154 4.273 4.120 -0.001 0.000 0.275 183 V C -2.029 174.036 176.094 -0.048 0.000 1.047 183 V CA -1.651 60.584 62.300 -0.108 0.000 0.955 183 V CB 1.307 33.079 31.823 -0.085 0.000 0.988 183 V HN -0.115 nan 8.190 nan 0.000 0.471 184 P HA 0.057 nan 4.420 nan 0.000 0.259 184 P C 0.887 178.173 177.300 -0.023 0.000 1.163 184 P CA 1.729 64.795 63.100 -0.057 0.000 0.760 184 P CB 0.241 31.888 31.700 -0.088 0.000 0.762 185 G N 2.962 111.724 108.800 -0.063 0.000 2.143 185 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.249 185 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.249 185 G C 0.004 174.864 174.900 -0.066 0.000 0.981 185 G CA -0.566 44.474 45.100 -0.102 0.000 0.665 185 G HN 0.469 nan 8.290 nan 0.000 0.528 186 I N 1.872 122.427 120.570 -0.025 0.000 2.359 186 I HA 0.516 4.685 4.170 -0.001 0.000 0.284 186 I C 1.188 177.289 176.117 -0.026 0.000 1.018 186 I CA -0.465 60.828 61.300 -0.011 0.000 1.173 186 I CB 0.466 38.472 38.000 0.010 0.000 1.326 186 I HN 0.136 nan 8.210 nan 0.000 0.462 187 G N 5.039 113.822 108.800 -0.029 0.000 2.525 187 G HA2 0.179 4.138 3.960 -0.001 0.000 0.287 187 G HA3 0.179 4.138 3.960 -0.001 0.000 0.287 187 G C 0.874 175.758 174.900 -0.026 0.000 1.350 187 G CA -0.394 44.689 45.100 -0.029 0.000 1.039 187 G HN 0.574 nan 8.290 nan 0.000 0.513 188 N N -0.354 118.331 118.700 -0.025 0.000 2.084 188 N HA -0.139 4.600 4.740 -0.001 0.000 0.190 188 N C 2.233 177.731 175.510 -0.020 0.000 1.030 188 N CA 0.993 54.029 53.050 -0.022 0.000 0.849 188 N CB -0.157 38.317 38.487 -0.022 0.000 1.012 188 N HN 0.342 nan 8.380 nan 0.000 0.423 189 I N 1.574 122.132 120.570 -0.020 0.000 2.163 189 I HA -0.192 3.977 4.170 -0.001 0.000 0.243 189 I C 2.022 178.128 176.117 -0.017 0.000 1.085 189 I CA 1.364 62.654 61.300 -0.018 0.000 1.347 189 I CB -1.621 36.369 38.000 -0.018 0.000 1.044 189 I HN 0.122 nan 8.210 nan 0.000 0.408 190 T N 1.292 115.835 114.554 -0.019 0.000 2.821 190 T HA -0.025 4.324 4.350 -0.001 0.000 0.267 190 T C 2.106 176.796 174.700 -0.016 0.000 1.046 190 T CA 1.274 63.364 62.100 -0.017 0.000 1.139 190 T CB -0.250 68.609 68.868 -0.016 0.000 0.871 190 T HN 0.453 nan 8.240 nan 0.000 0.454 191 A N 2.161 124.970 122.820 -0.018 0.000 1.845 191 A HA -0.146 4.173 4.320 -0.001 0.000 0.215 191 A C 2.314 179.887 177.584 -0.018 0.000 1.195 191 A CA 1.338 53.364 52.037 -0.019 0.000 0.616 191 A CB -0.488 18.498 19.000 -0.022 0.000 0.832 191 A HN 0.332 nan 8.150 nan 0.000 0.443 192 E N 0.487 120.677 120.200 -0.017 0.000 2.048 192 E HA -0.246 4.104 4.350 -0.001 0.000 0.202 192 E C 1.857 178.448 176.600 -0.014 0.000 1.021 192 E CA 1.722 58.113 56.400 -0.015 0.000 0.825 192 E CB -0.630 29.062 29.700 -0.014 0.000 0.756 192 E HN 0.675 nan 8.360 nan 0.000 0.454 193 K N 0.452 120.843 120.400 -0.014 0.000 2.173 193 K HA -0.142 4.177 4.320 -0.001 0.000 0.207 193 K C 2.304 178.895 176.600 -0.015 0.000 1.046 193 K CA 1.040 57.318 56.287 -0.014 0.000 0.929 193 K CB -0.295 32.196 32.500 -0.015 0.000 0.720 193 K HN 0.135 nan 8.250 nan 0.000 0.453 194 L N 0.289 121.502 121.223 -0.017 0.000 2.217 194 L HA -0.118 4.221 4.340 -0.001 0.000 0.211 194 L C 2.128 178.988 176.870 -0.016 0.000 1.107 194 L CA 0.656 55.484 54.840 -0.018 0.000 0.783 194 L CB -0.199 41.848 42.059 -0.020 0.000 0.919 194 L HN -0.010 nan 8.230 nan 0.000 0.442 195 K N 0.751 121.142 120.400 -0.015 0.000 2.026 195 K HA -0.128 4.191 4.320 -0.001 0.000 0.208 195 K C 1.963 178.557 176.600 -0.011 0.000 1.048 195 K CA 1.315 57.594 56.287 -0.013 0.000 0.929 195 K CB -0.135 32.357 32.500 -0.012 0.000 0.713 195 K HN 0.160 nan 8.250 nan 0.000 0.439 196 K N 0.390 120.783 120.400 -0.010 0.000 1.969 196 K HA -0.143 4.177 4.320 -0.001 0.000 0.223 196 K C 1.944 178.539 176.600 -0.008 0.000 1.048 196 K CA 1.758 58.040 56.287 -0.008 0.000 0.983 196 K CB -0.699 31.797 32.500 -0.008 0.000 0.738 196 K HN 0.065 nan 8.250 nan 0.000 0.446 197 L N 0.291 121.508 121.223 -0.010 0.000 2.468 197 L HA -0.179 4.160 4.340 -0.001 0.000 0.225 197 L C 1.066 177.930 176.870 -0.009 0.000 1.139 197 L CA 1.106 55.941 54.840 -0.009 0.000 0.792 197 L CB -0.960 41.090 42.059 -0.014 0.000 0.916 197 L HN 0.757 nan 8.230 nan 0.000 0.446 198 G N 0.527 109.321 108.800 -0.010 0.000 2.207 198 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.216 198 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.216 198 G C -0.152 174.741 174.900 -0.011 0.000 1.053 198 G CA -0.317 44.777 45.100 -0.009 0.000 0.764 198 G HN 0.289 nan 8.290 nan 0.000 0.495 199 I N -0.079 120.482 120.570 -0.015 0.000 2.465 199 I HA 0.453 4.622 4.170 -0.001 0.000 0.291 199 I C 0.241 176.347 176.117 -0.019 0.000 1.014 199 I CA -1.085 60.205 61.300 -0.018 0.000 1.093 199 I CB 1.817 39.803 38.000 -0.023 0.000 1.267 199 I HN 0.034 nan 8.210 nan 0.000 0.431 200 N N 3.530 122.219 118.700 -0.019 0.000 2.008 200 N HA 0.140 4.879 4.740 -0.001 0.000 0.228 200 N C -0.387 175.110 175.510 -0.023 0.000 1.375 200 N CA -0.108 52.930 53.050 -0.020 0.000 0.856 200 N CB 1.214 39.691 38.487 -0.016 0.000 1.096 200 N HN 0.444 nan 8.380 nan 0.000 0.489 201 K N 0.861 121.248 120.400 -0.022 0.000 2.375 201 K HA 0.355 4.674 4.320 -0.001 0.000 0.249 201 K C 0.989 177.573 176.600 -0.026 0.000 0.942 201 K CA -0.608 55.666 56.287 -0.022 0.000 0.806 201 K CB 2.405 34.897 32.500 -0.013 0.000 1.227 201 K HN -0.144 nan 8.250 nan 0.000 0.430 202 L N 1.452 122.657 121.223 -0.030 0.000 2.129 202 L HA -0.209 4.130 4.340 -0.001 0.000 0.212 202 L C 2.090 178.945 176.870 -0.026 0.000 1.087 202 L CA 1.272 56.089 54.840 -0.039 0.000 0.757 202 L CB -0.022 42.018 42.059 -0.032 0.000 0.896 202 L HN 0.436 nan 8.230 nan 0.000 0.434 203 V N -0.028 119.879 119.914 -0.012 0.000 2.358 203 V HA -0.291 3.828 4.120 -0.001 0.000 0.246 203 V C 1.969 178.056 176.094 -0.010 0.000 1.047 203 V CA 2.232 64.528 62.300 -0.007 0.000 1.035 203 V CB -0.375 31.447 31.823 -0.002 0.000 0.658 203 V HN 0.520 nan 8.190 nan 0.000 0.452 204 D N 0.403 120.796 120.400 -0.013 0.000 2.203 204 D HA -0.199 4.440 4.640 -0.001 0.000 0.199 204 D C 2.118 178.409 176.300 -0.015 0.000 0.997 204 D CA 2.048 56.041 54.000 -0.012 0.000 0.863 204 D CB -0.568 40.224 40.800 -0.014 0.000 0.928 204 D HN 0.720 nan 8.370 nan 0.000 0.458 205 T N -1.206 113.334 114.554 -0.023 0.000 3.052 205 T HA -0.077 4.272 4.350 -0.001 0.000 0.270 205 T C 1.999 176.689 174.700 -0.017 0.000 1.147 205 T CA 0.420 62.501 62.100 -0.031 0.000 1.089 205 T CB -0.294 68.544 68.868 -0.049 0.000 0.875 205 T HN 0.199 nan 8.240 nan 0.000 0.541 206 L N -0.047 121.172 121.223 -0.005 0.000 2.416 206 L HA 0.152 4.491 4.340 -0.001 0.000 0.216 206 L C 2.733 179.611 176.870 0.014 0.000 1.098 206 L CA 0.227 55.072 54.840 0.008 0.000 0.840 206 L CB -0.170 41.894 42.059 0.008 0.000 0.981 206 L HN 0.270 nan 8.230 nan 0.000 0.462 207 S N -0.096 115.609 115.700 0.008 0.000 2.336 207 S HA 0.063 4.532 4.470 -0.001 0.000 0.216 207 S C 1.033 175.642 174.600 0.016 0.000 1.032 207 S CA 0.189 58.395 58.200 0.010 0.000 0.973 207 S CB 0.098 63.301 63.200 0.005 0.000 0.888 207 S HN 0.021 nan 8.310 nan 0.000 0.455 208 I N 2.870 123.447 120.570 0.010 0.000 3.003 208 I HA 0.007 4.177 4.170 -0.001 0.000 0.294 208 I C 0.707 176.846 176.117 0.036 0.000 1.237 208 I CA -0.097 61.212 61.300 0.015 0.000 1.417 208 I CB -0.153 37.847 38.000 0.000 0.000 1.340 208 I HN 0.232 nan 8.210 nan 0.000 0.594 209 E N 5.032 125.261 120.200 0.050 0.000 2.257 209 E HA -0.026 4.324 4.350 -0.001 0.000 0.278 209 E C 0.904 177.591 176.600 0.143 0.000 1.049 209 E CA -0.168 56.286 56.400 0.089 0.000 0.876 209 E CB 0.385 30.129 29.700 0.074 0.000 1.035 209 E HN 0.506 nan 8.360 nan 0.000 0.419 210 F N 4.018 123.972 119.950 0.006 0.000 2.079 210 F HA -0.394 4.133 4.527 -0.001 0.000 0.296 210 F C 1.340 177.145 175.800 0.009 0.000 1.084 210 F CA 2.188 60.193 58.000 0.009 0.000 1.236 210 F CB 0.300 39.305 39.000 0.009 0.000 0.984 210 F HN 0.461 nan 8.300 nan 0.000 0.488 211 D N -0.037 120.614 120.400 0.417 0.000 2.116 211 D HA -0.238 4.401 4.640 -0.001 0.000 0.193 211 D C 2.067 178.455 176.300 0.147 0.000 0.998 211 D CA 1.795 55.959 54.000 0.274 0.000 0.836 211 D CB -0.225 40.660 40.800 0.141 0.000 0.951 211 D HN 0.236 nan 8.370 nan 0.000 0.449 212 K N 0.357 120.812 120.400 0.092 0.000 2.009 212 K HA -0.122 4.198 4.320 -0.001 0.000 0.210 212 K C 1.965 178.573 176.600 0.013 0.000 1.049 212 K CA 0.988 57.301 56.287 0.043 0.000 0.929 212 K CB -0.426 32.091 32.500 0.028 0.000 0.714 212 K HN 0.095 nan 8.250 nan 0.000 0.440 213 L N 1.025 122.233 121.223 -0.024 0.000 1.951 213 L HA -0.295 4.044 4.340 -0.001 0.000 0.222 213 L C 2.608 179.424 176.870 -0.089 0.000 1.078 213 L CA 2.155 56.939 54.840 -0.092 0.000 0.778 213 L CB -0.721 41.214 42.059 -0.206 0.000 0.893 213 L HN 0.360 nan 8.230 nan 0.000 0.436 214 K N -0.003 120.328 120.400 -0.115 0.000 2.318 214 K HA -0.229 4.090 4.320 -0.001 0.000 0.204 214 K C 1.705 178.319 176.600 0.023 0.000 1.044 214 K CA 1.606 57.878 56.287 -0.024 0.000 0.932 214 K CB -0.250 32.372 32.500 0.203 0.000 0.734 214 K HN 0.484 nan 8.250 nan 0.000 0.473 215 G N 0.109 108.922 108.800 0.023 0.000 2.595 215 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.213 215 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.213 215 G C 1.272 176.175 174.900 0.005 0.000 1.141 215 G CA 0.103 45.216 45.100 0.022 0.000 0.806 215 G HN 0.239 nan 8.290 nan 0.000 0.530 216 M N 0.275 119.871 119.600 -0.007 0.000 2.466 216 M HA 0.350 4.830 4.480 -0.001 0.000 0.265 216 M C 1.903 178.193 176.300 -0.017 0.000 1.122 216 M CA 0.853 56.147 55.300 -0.011 0.000 1.157 216 M CB 0.304 32.896 32.600 -0.013 0.000 1.352 216 M HN 0.348 nan 8.290 nan 0.000 0.464 217 I N -3.514 117.039 120.570 -0.027 0.000 4.338 217 I HA 0.507 4.677 4.170 -0.001 0.000 0.329 217 I C 0.354 176.453 176.117 -0.029 0.000 1.378 217 I CA -0.150 61.133 61.300 -0.029 0.000 1.170 217 I CB 0.333 38.314 38.000 -0.033 0.000 1.206 217 I HN 0.232 nan 8.210 nan 0.000 0.432 218 G N 2.029 110.813 108.800 -0.026 0.000 2.719 218 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.686 218 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.686 218 G C -0.001 174.883 174.900 -0.027 0.000 1.201 218 G CA -0.004 45.088 45.100 -0.013 0.000 0.768 218 G HN 0.429 nan 8.290 nan 0.000 0.629 219 E N 0.865 121.079 120.200 0.024 0.000 2.023 219 E HA -0.171 4.178 4.350 -0.001 0.000 0.196 219 E C 3.036 179.651 176.600 0.025 0.000 1.003 219 E CA 1.856 58.293 56.400 0.062 0.000 0.809 219 E CB -0.158 29.642 29.700 0.166 0.000 0.755 219 E HN 0.995 nan 8.360 nan 0.000 0.449 220 A N 1.807 124.651 122.820 0.040 0.000 1.859 220 A HA -0.311 4.008 4.320 -0.001 0.000 0.218 220 A C 2.142 179.752 177.584 0.044 0.000 1.209 220 A CA 2.300 54.361 52.037 0.039 0.000 0.639 220 A CB -0.618 18.389 19.000 0.012 0.000 0.835 220 A HN 0.080 nan 8.150 nan 0.000 0.450 221 K N -0.382 120.025 120.400 0.012 0.000 2.152 221 K HA -0.070 4.249 4.320 -0.001 0.000 0.206 221 K C 1.945 178.581 176.600 0.060 0.000 1.048 221 K CA 1.499 57.809 56.287 0.039 0.000 0.933 221 K CB -0.393 32.105 32.500 -0.003 0.000 0.721 221 K HN 0.443 nan 8.250 nan 0.000 0.447 222 A N 0.720 123.508 122.820 -0.052 0.000 1.854 222 A HA -0.144 4.175 4.320 -0.001 0.000 0.214 222 A C 1.858 179.341 177.584 -0.167 0.000 1.192 222 A CA 1.667 53.584 52.037 -0.200 0.000 0.611 222 A CB -0.388 18.332 19.000 -0.466 0.000 0.832 222 A HN 0.295 nan 8.150 nan 0.000 0.442 223 K N -1.431 118.922 120.400 -0.078 0.000 2.063 223 K HA -0.191 4.128 4.320 -0.001 0.000 0.208 223 K C 1.964 178.627 176.600 0.106 0.000 1.048 223 K CA 1.716 58.033 56.287 0.049 0.000 0.928 223 K CB -0.501 32.081 32.500 0.135 0.000 0.713 223 K HN 0.566 nan 8.250 nan 0.000 0.442 224 Y N 2.164 122.473 120.300 0.014 0.000 2.040 224 Y HA -0.305 4.244 4.550 -0.001 0.000 0.275 224 Y C 1.822 177.765 175.900 0.071 0.000 1.171 224 Y CA 1.621 59.763 58.100 0.070 0.000 1.123 224 Y CB -0.573 37.916 38.460 0.048 0.000 0.963 224 Y HN -0.068 nan 8.280 nan 0.000 0.493 225 L N -0.338 120.812 121.223 -0.121 0.000 1.970 225 L HA -0.268 4.071 4.340 -0.001 0.000 0.212 225 L C 2.615 179.401 176.870 -0.141 0.000 1.071 225 L CA 1.902 56.603 54.840 -0.232 0.000 0.751 225 L CB -0.772 41.229 42.059 -0.096 0.000 0.889 225 L HN 0.299 nan 8.230 nan 0.000 0.432 226 I N -0.644 119.881 120.570 -0.075 0.000 2.194 226 I HA -0.382 3.787 4.170 -0.001 0.000 0.246 226 I C 2.880 178.993 176.117 -0.005 0.000 1.093 226 I CA 1.612 62.894 61.300 -0.031 0.000 1.355 226 I CB -0.337 37.661 38.000 -0.002 0.000 1.046 226 I HN 0.274 nan 8.210 nan 0.000 0.413 227 S N 0.731 116.436 115.700 0.010 0.000 2.383 227 S HA -0.156 4.313 4.470 -0.001 0.000 0.229 227 S C 2.006 176.643 174.600 0.061 0.000 1.030 227 S CA 1.324 59.555 58.200 0.051 0.000 1.002 227 S CB -0.222 63.034 63.200 0.093 0.000 0.829 227 S HN 0.324 nan 8.310 nan 0.000 0.467 228 L N 0.897 122.109 121.223 -0.018 0.000 2.023 228 L HA 0.007 4.347 4.340 -0.001 0.000 0.205 228 L C 2.937 179.814 176.870 0.012 0.000 1.073 228 L CA 1.202 56.027 54.840 -0.025 0.000 0.745 228 L CB -0.736 41.193 42.059 -0.216 0.000 0.900 228 L HN 0.400 nan 8.230 nan 0.000 0.435 229 A N -0.020 122.790 122.820 -0.017 0.000 2.131 229 A HA -0.187 4.132 4.320 -0.001 0.000 0.220 229 A C 2.125 179.712 177.584 0.005 0.000 1.158 229 A CA 1.378 53.414 52.037 -0.001 0.000 0.665 229 A CB -0.512 18.480 19.000 -0.014 0.000 0.795 229 A HN 0.404 nan 8.150 nan 0.000 0.460 230 R N -1.354 119.153 120.500 0.011 0.000 2.359 230 R HA 0.102 4.441 4.340 -0.001 0.000 0.231 230 R C 0.387 176.693 176.300 0.009 0.000 0.913 230 R CA 0.496 56.603 56.100 0.012 0.000 1.075 230 R CB -0.085 30.228 30.300 0.021 0.000 1.087 230 R HN 0.487 nan 8.270 nan 0.000 0.515 231 D N 1.508 121.912 120.400 0.006 0.000 3.018 231 D HA -0.241 4.398 4.640 -0.001 0.000 0.224 231 D C 0.231 176.547 176.300 0.027 0.000 1.185 231 D CA 1.284 55.276 54.000 -0.014 0.000 0.858 231 D CB -0.465 40.302 40.800 -0.054 0.000 1.112 231 D HN 0.486 nan 8.370 nan 0.000 0.415 232 E N -0.976 119.253 120.200 0.049 0.000 2.511 232 E HA 0.055 4.404 4.350 -0.001 0.000 0.214 232 E C 0.608 177.250 176.600 0.070 0.000 1.062 232 E CA -0.549 55.877 56.400 0.044 0.000 1.213 232 E CB 0.003 29.719 29.700 0.027 0.000 1.214 232 E HN 0.578 nan 8.360 nan 0.000 0.441 233 Y N 1.702 121.997 120.300 -0.008 0.000 2.256 233 Y HA 0.018 4.567 4.550 -0.001 0.000 0.267 233 Y C 0.838 176.747 175.900 0.016 0.000 1.069 233 Y CA 1.498 59.600 58.100 0.004 0.000 1.070 233 Y CB 0.035 38.501 38.460 0.011 0.000 1.020 233 Y HN 0.153 nan 8.280 nan 0.000 0.476 234 N N 2.219 120.937 118.700 0.030 0.000 2.524 234 N HA -0.255 4.484 4.740 -0.001 0.000 0.299 234 N C -0.999 174.307 175.510 -0.340 0.000 1.414 234 N CA 1.219 54.229 53.050 -0.066 0.000 0.670 234 N CB -0.484 37.995 38.487 -0.013 0.000 1.018 234 N HN 0.772 nan 8.380 nan 0.000 0.488 235 E N 4.470 124.508 120.200 -0.271 0.000 2.260 235 E HA 0.383 4.732 4.350 -0.001 0.000 0.266 235 E C -2.402 174.163 176.600 -0.059 0.000 0.887 235 E CA -1.736 54.527 56.400 -0.228 0.000 0.777 235 E CB 1.677 31.194 29.700 -0.305 0.000 1.205 235 E HN 0.345 nan 8.360 nan 0.000 0.414 236 P HA -0.002 nan 4.420 nan 0.000 0.269 236 P C -0.254 177.043 177.300 -0.005 0.000 1.211 236 P CA -0.154 62.941 63.100 -0.009 0.000 0.781 236 P CB 0.689 32.383 31.700 -0.009 0.000 0.877 237 I N 2.716 123.301 120.570 0.025 0.000 2.308 237 I HA 0.202 4.372 4.170 -0.001 0.000 0.293 237 I C 1.219 177.364 176.117 0.048 0.000 1.078 237 I CA 0.134 61.461 61.300 0.045 0.000 1.292 237 I CB -0.310 37.749 38.000 0.099 0.000 1.423 237 I HN 0.350 nan 8.210 nan 0.000 0.493 238 R N 2.354 122.877 120.500 0.039 0.000 2.750 238 R HA 0.591 4.930 4.340 -0.001 0.000 0.281 238 R C 1.054 177.386 176.300 0.053 0.000 0.972 238 R CA -0.398 55.726 56.100 0.041 0.000 0.912 238 R CB 0.727 31.041 30.300 0.023 0.000 1.187 238 R HN 0.551 nan 8.270 nan 0.000 0.464 239 T N -0.326 114.260 114.554 0.053 0.000 2.578 239 T HA -0.378 3.971 4.350 -0.001 0.000 0.252 239 T C 0.541 175.277 174.700 0.061 0.000 1.192 239 T CA 1.594 63.728 62.100 0.056 0.000 1.143 239 T CB -0.728 68.167 68.868 0.046 0.000 0.848 239 T HN 0.805 nan 8.240 nan 0.000 0.450 240 R N -0.129 120.403 120.500 0.053 0.000 1.270 240 R HA -0.034 4.305 4.340 -0.001 0.000 0.409 240 R C -1.464 174.872 176.300 0.061 0.000 1.343 240 R CA 0.409 56.542 56.100 0.056 0.000 1.285 240 R CB -0.705 29.634 30.300 0.064 0.000 3.625 240 R HN 0.478 nan 8.270 nan 0.000 0.485 241 V N 4.065 124.018 119.914 0.065 0.000 2.789 241 V HA 0.372 4.491 4.120 -0.001 0.000 0.311 241 V C 0.278 176.429 176.094 0.095 0.000 1.073 241 V CA -0.956 61.387 62.300 0.072 0.000 0.921 241 V CB 1.891 33.759 31.823 0.075 0.000 1.009 241 V HN 0.633 nan 8.190 nan 0.000 0.426 242 R N 2.266 122.824 120.500 0.096 0.000 2.486 242 R HA 0.032 4.371 4.340 -0.001 0.000 0.303 242 R C 0.682 177.114 176.300 0.221 0.000 0.958 242 R CA 0.713 56.889 56.100 0.127 0.000 1.077 242 R CB 0.148 30.513 30.300 0.109 0.000 0.921 242 R HN 0.641 nan 8.270 nan 0.000 0.406 243 K N 1.555 122.063 120.400 0.179 0.000 2.397 243 K HA 0.115 4.434 4.320 -0.001 0.000 0.202 243 K C -0.537 176.100 176.600 0.062 0.000 1.022 243 K CA 0.118 56.503 56.287 0.164 0.000 1.141 243 K CB 0.462 32.993 32.500 0.051 0.000 0.857 243 K HN 0.719 nan 8.250 nan 0.000 0.514 244 S N -0.438 115.381 115.700 0.199 0.000 2.597 244 S HA 0.491 4.960 4.470 -0.001 0.000 0.274 244 S C -1.585 173.163 174.600 0.247 0.000 1.132 244 S CA -1.081 57.181 58.200 0.103 0.000 0.835 244 S CB 1.420 64.594 63.200 -0.043 0.000 1.092 244 S HN -0.070 nan 8.310 nan 0.000 0.457 245 I N 1.241 121.968 120.570 0.263 0.000 2.692 245 I HA 0.841 5.010 4.170 -0.001 0.000 0.293 245 I C 0.490 176.683 176.117 0.127 0.000 1.200 245 I CA 0.040 61.462 61.300 0.203 0.000 1.036 245 I CB 1.595 39.740 38.000 0.242 0.000 1.258 245 I HN 1.252 nan 8.210 nan 0.000 0.421 246 G N 4.399 113.237 108.800 0.063 0.000 2.619 246 G HA2 0.749 4.708 3.960 -0.001 0.000 0.305 246 G HA3 0.749 4.708 3.960 -0.001 0.000 0.305 246 G C -1.741 173.167 174.900 0.013 0.000 1.330 246 G CA -0.713 44.384 45.100 -0.006 0.000 0.789 246 G HN 0.523 nan 8.290 nan 0.000 0.487 247 R N -0.554 119.936 120.500 -0.016 0.000 2.572 247 R HA 0.526 4.865 4.340 -0.001 0.000 0.273 247 R C -1.670 174.625 176.300 -0.008 0.000 1.168 247 R CA -0.460 55.647 56.100 0.011 0.000 1.021 247 R CB 0.850 31.178 30.300 0.046 0.000 1.249 247 R HN 0.514 nan 8.270 nan 0.000 0.423 248 I N 5.415 125.983 120.570 -0.004 0.000 2.474 248 I HA 0.594 4.763 4.170 -0.001 0.000 0.294 248 I C -0.236 175.880 176.117 -0.002 0.000 1.005 248 I CA -1.360 59.932 61.300 -0.014 0.000 1.113 248 I CB 1.968 39.954 38.000 -0.023 0.000 1.289 248 I HN 0.449 nan 8.210 nan 0.000 0.436 249 V N 1.012 120.922 119.914 -0.006 0.000 2.876 249 V HA 0.571 4.690 4.120 -0.001 0.000 0.312 249 V C -0.151 175.907 176.094 -0.060 0.000 1.085 249 V CA -0.511 61.790 62.300 0.001 0.000 0.945 249 V CB 1.650 33.510 31.823 0.062 0.000 1.017 249 V HN 0.700 nan 8.190 nan 0.000 0.428 250 T N 5.858 120.372 114.554 -0.067 0.000 2.729 250 T HA 0.460 4.809 4.350 -0.001 0.000 0.296 250 T C 0.226 174.798 174.700 -0.214 0.000 0.928 250 T CA -0.133 61.893 62.100 -0.123 0.000 1.045 250 T CB 0.368 69.187 68.868 -0.081 0.000 0.902 250 T HN 0.699 nan 8.240 nan 0.000 0.500 251 M N 3.020 122.361 119.600 -0.432 0.000 2.248 251 M HA 0.142 4.621 4.480 -0.001 0.000 0.337 251 M C 1.689 177.815 176.300 -0.290 0.000 1.121 251 M CA -0.151 54.655 55.300 -0.824 0.000 1.155 251 M CB 0.577 32.562 32.600 -1.024 0.000 1.514 251 M HN 0.578 nan 8.290 nan 0.000 0.452 252 K N 1.129 121.483 120.400 -0.077 0.000 2.089 252 K HA -0.192 4.127 4.320 -0.001 0.000 0.210 252 K C 0.392 177.010 176.600 0.030 0.000 1.048 252 K CA 1.680 58.002 56.287 0.058 0.000 0.926 252 K CB -0.019 32.573 32.500 0.154 0.000 0.714 252 K HN 0.622 nan 8.250 nan 0.000 0.448 253 R N -0.428 120.074 120.500 0.002 0.000 2.867 253 R HA 0.329 4.668 4.340 -0.001 0.000 0.268 253 R C -0.616 175.660 176.300 -0.040 0.000 1.014 253 R CA -1.006 55.098 56.100 0.007 0.000 0.946 253 R CB 0.722 31.043 30.300 0.035 0.000 1.208 253 R HN -0.178 nan 8.270 nan 0.000 0.477 254 N N 0.089 118.775 118.700 -0.024 0.000 2.294 254 N HA 0.251 4.991 4.740 -0.001 0.000 0.248 254 N C -0.475 175.019 175.510 -0.026 0.000 1.300 254 N CA 0.578 53.605 53.050 -0.039 0.000 0.925 254 N CB 1.059 39.534 38.487 -0.020 0.000 1.188 254 N HN 0.763 nan 8.380 nan 0.000 0.512 255 S N -1.234 114.450 115.700 -0.027 0.000 2.683 255 S HA 0.309 4.779 4.470 -0.001 0.000 0.264 255 S C -0.612 173.981 174.600 -0.012 0.000 1.066 255 S CA -0.904 57.290 58.200 -0.010 0.000 0.846 255 S CB 1.743 64.946 63.200 0.004 0.000 1.114 255 S HN 0.703 nan 8.310 nan 0.000 0.476 256 R N 0.204 120.704 120.500 -0.002 0.000 2.518 256 R HA 0.264 4.603 4.340 -0.001 0.000 0.419 256 R C -0.692 175.612 176.300 0.005 0.000 0.902 256 R CA -0.195 55.904 56.100 -0.002 0.000 1.146 256 R CB 0.117 30.416 30.300 -0.002 0.000 1.652 256 R HN 0.682 nan 8.270 nan 0.000 0.555 257 N N 1.889 120.597 118.700 0.013 0.000 2.469 257 N HA -0.012 4.727 4.740 -0.001 0.000 0.239 257 N C 0.977 176.500 175.510 0.022 0.000 1.053 257 N CA -0.033 53.030 53.050 0.021 0.000 0.937 257 N CB 1.273 39.779 38.487 0.030 0.000 1.163 257 N HN 0.160 nan 8.380 nan 0.000 0.509 258 L N 3.997 125.229 121.223 0.016 0.000 2.051 258 L HA -0.157 4.182 4.340 -0.001 0.000 0.214 258 L C 1.789 178.667 176.870 0.013 0.000 1.076 258 L CA 1.906 56.751 54.840 0.009 0.000 0.758 258 L CB -0.165 41.904 42.059 0.016 0.000 0.890 258 L HN 0.542 nan 8.230 nan 0.000 0.433 259 E N -0.660 119.559 120.200 0.032 0.000 2.285 259 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 259 E C 2.019 178.646 176.600 0.045 0.000 0.997 259 E CA 0.911 57.337 56.400 0.044 0.000 0.845 259 E CB 0.090 29.821 29.700 0.051 0.000 0.782 259 E HN 0.717 nan 8.360 nan 0.000 0.491 260 E N 0.299 120.534 120.200 0.058 0.000 2.230 260 E HA -0.046 4.303 4.350 -0.001 0.000 0.192 260 E C 1.993 178.698 176.600 0.175 0.000 0.987 260 E CA 0.277 56.736 56.400 0.099 0.000 0.841 260 E CB 0.166 29.928 29.700 0.103 0.000 0.783 260 E HN 0.171 nan 8.360 nan 0.000 0.481 261 I N 0.690 121.336 120.570 0.126 0.000 2.235 261 I HA -0.201 3.968 4.170 -0.001 0.000 0.241 261 I C 2.383 178.520 176.117 0.034 0.000 1.085 261 I CA 0.600 62.005 61.300 0.175 0.000 1.378 261 I CB -0.274 37.743 38.000 0.029 0.000 1.076 261 I HN 0.020 nan 8.210 nan 0.000 0.415 262 K N 0.802 121.099 120.400 -0.172 0.000 2.067 262 K HA -0.263 4.057 4.320 -0.001 0.000 0.226 262 K C -0.420 175.850 176.600 -0.551 0.000 1.046 262 K CA 2.789 58.732 56.287 -0.574 0.000 0.967 262 K CB -1.727 30.609 32.500 -0.273 0.000 0.749 262 K HN 0.306 nan 8.250 nan 0.000 0.456 263 P HA -0.214 nan 4.420 nan 0.000 0.216 263 P C 1.223 178.427 177.300 -0.160 0.000 1.154 263 P CA 1.849 64.894 63.100 -0.093 0.000 0.865 263 P CB -0.205 31.346 31.700 -0.248 0.000 0.789 264 Y N -0.165 120.105 120.300 -0.049 0.000 2.109 264 Y HA -0.130 4.418 4.550 -0.003 0.000 0.285 264 Y C 2.780 178.634 175.900 -0.077 0.000 1.131 264 Y CA 0.775 58.850 58.100 -0.041 0.000 1.121 264 Y CB -1.720 36.709 38.460 -0.052 0.000 0.987 264 Y HN -0.163 nan 8.280 nan 0.000 0.495 265 L N -0.571 120.649 121.223 -0.005 0.000 2.021 265 L HA -0.254 4.085 4.340 -0.001 0.000 0.215 265 L C 1.895 178.694 176.870 -0.118 0.000 1.074 265 L CA 1.838 56.592 54.840 -0.144 0.000 0.760 265 L CB -1.017 40.847 42.059 -0.324 0.000 0.889 265 L HN 0.117 nan 8.230 nan 0.000 0.433 266 F N -0.182 119.734 119.950 -0.057 0.000 2.365 266 F HA -0.055 4.471 4.527 -0.002 0.000 0.300 266 F C 2.550 178.309 175.800 -0.068 0.000 1.090 266 F CA 0.939 58.840 58.000 -0.165 0.000 1.408 266 F CB -0.768 38.237 39.000 0.008 0.000 1.060 266 F HN 0.112 nan 8.300 nan 0.000 0.534 267 R N -0.265 120.330 120.500 0.159 0.000 2.100 267 R HA 0.070 4.409 4.340 -0.001 0.000 0.220 267 R C 2.453 178.822 176.300 0.114 0.000 1.091 267 R CA 0.893 57.070 56.100 0.129 0.000 0.986 267 R CB -0.572 29.786 30.300 0.097 0.000 0.888 267 R HN 0.206 nan 8.270 nan 0.000 0.444 268 A N 1.593 124.466 122.820 0.088 0.000 1.877 268 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 268 A C 2.123 179.768 177.584 0.103 0.000 1.186 268 A CA 1.301 53.380 52.037 0.069 0.000 0.620 268 A CB -0.545 18.465 19.000 0.017 0.000 0.822 268 A HN 0.153 nan 8.150 nan 0.000 0.443 269 I N -0.873 119.760 120.570 0.104 0.000 2.099 269 I HA -0.264 3.905 4.170 -0.001 0.000 0.239 269 I C 2.583 178.934 176.117 0.389 0.000 1.066 269 I CA 1.941 63.394 61.300 0.254 0.000 1.324 269 I CB -0.580 37.491 38.000 0.118 0.000 1.037 269 I HN 0.363 nan 8.210 nan 0.000 0.401 270 E N 1.286 121.643 120.200 0.262 0.000 2.097 270 E HA -0.302 4.047 4.350 -0.001 0.000 0.196 270 E C 2.002 178.779 176.600 0.294 0.000 1.000 270 E CA 1.740 58.315 56.400 0.293 0.000 0.804 270 E CB -0.160 29.681 29.700 0.234 0.000 0.740 270 E HN 0.437 nan 8.360 nan 0.000 0.454 271 E N -1.150 119.189 120.200 0.231 0.000 2.358 271 E HA -0.034 4.316 4.350 -0.001 0.000 0.195 271 E C 1.490 178.247 176.600 0.262 0.000 1.010 271 E CA 0.760 57.287 56.400 0.212 0.000 0.856 271 E CB 0.075 29.859 29.700 0.141 0.000 0.795 271 E HN 0.142 nan 8.360 nan 0.000 0.504 272 S N -0.614 115.265 115.700 0.298 0.000 2.425 272 S HA -0.027 4.442 4.470 -0.001 0.000 0.225 272 S C 1.237 176.013 174.600 0.293 0.000 1.024 272 S CA 0.201 58.580 58.200 0.298 0.000 0.951 272 S CB -0.108 63.289 63.200 0.328 0.000 0.796 272 S HN 0.362 nan 8.310 nan 0.000 0.498 273 Y N 0.197 120.669 120.300 0.285 0.000 2.263 273 Y HA -0.096 4.453 4.550 -0.002 0.000 0.292 273 Y C 2.235 178.233 175.900 0.164 0.000 1.130 273 Y CA 1.139 59.345 58.100 0.176 0.000 1.179 273 Y CB -0.464 38.081 38.460 0.141 0.000 0.998 273 Y HN 0.286 nan 8.280 nan 0.000 0.532 274 Y N 1.175 121.604 120.300 0.214 0.000 2.128 274 Y HA -0.296 4.253 4.550 -0.002 0.000 0.284 274 Y C 2.046 177.989 175.900 0.072 0.000 1.154 274 Y CA 1.886 60.059 58.100 0.123 0.000 1.149 274 Y CB -0.373 38.148 38.460 0.101 0.000 0.976 274 Y HN -0.024 nan 8.280 nan 0.000 0.505 275 K N -0.252 120.197 120.400 0.081 0.000 2.288 275 K HA -0.087 4.233 4.320 -0.001 0.000 0.201 275 K C 2.093 178.645 176.600 -0.079 0.000 1.048 275 K CA 0.913 57.178 56.287 -0.036 0.000 0.956 275 K CB -0.135 32.404 32.500 0.065 0.000 0.746 275 K HN 0.355 nan 8.250 nan 0.000 0.461 276 L N 0.633 121.817 121.223 -0.065 0.000 1.988 276 L HA -0.142 4.197 4.340 -0.001 0.000 0.207 276 L C 0.092 176.853 176.870 -0.181 0.000 1.071 276 L CA 0.852 55.601 54.840 -0.152 0.000 0.744 276 L CB -0.336 41.577 42.059 -0.242 0.000 0.893 276 L HN 0.341 nan 8.230 nan 0.000 0.433 277 D N -0.124 120.198 120.400 -0.131 0.000 3.908 277 D HA -0.199 4.440 4.640 -0.001 0.000 0.237 277 D C 0.569 176.805 176.300 -0.107 0.000 1.091 277 D CA 0.517 54.444 54.000 -0.123 0.000 1.147 277 D CB 0.026 40.718 40.800 -0.180 0.000 0.857 277 D HN 0.261 nan 8.370 nan 0.000 0.410 278 K N -0.209 120.157 120.400 -0.056 0.000 4.378 278 K HA -0.282 4.037 4.320 -0.001 0.000 0.416 278 K C 0.704 177.259 176.600 -0.076 0.000 0.469 278 K CA 1.796 58.054 56.287 -0.048 0.000 1.807 278 K CB -1.416 31.053 32.500 -0.052 0.000 0.965 278 K HN 0.698 nan 8.250 nan 0.000 0.530 279 R N 1.279 121.688 120.500 -0.152 0.000 2.619 279 R HA 0.009 4.348 4.340 -0.001 0.000 0.268 279 R C 0.409 176.639 176.300 -0.117 0.000 0.990 279 R CA 0.399 56.373 56.100 -0.211 0.000 1.092 279 R CB 0.159 30.162 30.300 -0.495 0.000 0.935 279 R HN 0.107 nan 8.270 nan 0.000 0.415 280 I N 6.010 126.576 120.570 -0.007 0.000 2.362 280 I HA 0.296 4.465 4.170 -0.001 0.000 0.289 280 I C -2.055 174.183 176.117 0.201 0.000 0.994 280 I CA -2.883 58.453 61.300 0.060 0.000 1.158 280 I CB 1.436 39.469 38.000 0.056 0.000 1.315 280 I HN 0.412 nan 8.210 nan 0.000 0.451 281 P HA 0.402 nan 4.420 nan 0.000 0.296 281 P C -0.442 176.871 177.300 0.021 0.000 1.301 281 P CA -0.598 62.579 63.100 0.128 0.000 0.862 281 P CB 2.035 33.762 31.700 0.044 0.000 1.046 282 K N 0.740 121.150 120.400 0.018 0.000 2.373 282 K HA 0.425 4.744 4.320 -0.001 0.000 0.200 282 K C 0.494 177.142 176.600 0.079 0.000 1.054 282 K CA -0.049 56.257 56.287 0.031 0.000 1.065 282 K CB 1.049 33.579 32.500 0.049 0.000 0.886 282 K HN 0.491 nan 8.250 nan 0.000 0.546 283 A N 1.674 124.542 122.820 0.080 0.000 2.414 283 A HA 0.705 5.024 4.320 -0.001 0.000 0.306 283 A C -1.382 176.345 177.584 0.238 0.000 1.054 283 A CA -0.703 51.433 52.037 0.166 0.000 0.724 283 A CB 1.280 20.353 19.000 0.122 0.000 1.267 283 A HN 0.239 nan 8.150 nan 0.000 0.418 284 I N 1.129 121.865 120.570 0.276 0.000 2.569 284 I HA 0.624 4.794 4.170 -0.001 0.000 0.290 284 I C -1.710 174.489 176.117 0.137 0.000 1.088 284 I CA -0.531 60.934 61.300 0.274 0.000 1.047 284 I CB 1.784 39.984 38.000 0.332 0.000 1.237 284 I HN 0.812 nan 8.210 nan 0.000 0.421 285 H N 5.303 124.341 119.070 -0.054 0.000 2.589 285 H HA 0.480 5.035 4.556 -0.001 0.000 0.335 285 H C -0.938 174.328 175.328 -0.104 0.000 1.019 285 H CA -0.267 55.747 56.048 -0.057 0.000 1.213 285 H CB 2.178 31.901 29.762 -0.065 0.000 1.472 285 H HN 0.293 nan 8.280 nan 0.000 0.508 286 V N 5.504 125.410 119.914 -0.013 0.000 2.406 286 V HA 0.232 4.351 4.120 -0.001 0.000 0.272 286 V C -0.196 175.891 176.094 -0.011 0.000 1.043 286 V CA -0.436 61.843 62.300 -0.035 0.000 0.915 286 V CB 1.108 32.912 31.823 -0.032 0.000 0.988 286 V HN 0.492 nan 8.190 nan 0.000 0.466 287 V N 4.230 124.130 119.914 -0.023 0.000 2.667 287 V HA 0.919 5.039 4.120 -0.001 0.000 0.308 287 V C 0.167 176.243 176.094 -0.030 0.000 1.048 287 V CA -0.483 61.809 62.300 -0.013 0.000 0.928 287 V CB 1.794 33.606 31.823 -0.018 0.000 1.004 287 V HN 0.980 nan 8.190 nan 0.000 0.444 288 A N 3.300 126.105 122.820 -0.025 0.000 2.437 288 A HA 0.740 5.059 4.320 -0.001 0.000 0.293 288 A C -1.135 176.430 177.584 -0.031 0.000 1.038 288 A CA -0.448 51.568 52.037 -0.036 0.000 0.708 288 A CB 1.618 20.596 19.000 -0.036 0.000 1.251 288 A HN 0.592 nan 8.150 nan 0.000 0.409 289 V N 3.009 122.900 119.914 -0.039 0.000 2.498 289 V HA 0.459 4.578 4.120 -0.001 0.000 0.279 289 V C 1.210 177.283 176.094 -0.034 0.000 1.048 289 V CA 0.347 62.627 62.300 -0.033 0.000 0.967 289 V CB 1.326 33.127 31.823 -0.036 0.000 0.988 289 V HN 1.106 nan 8.190 nan 0.000 0.473 290 T N 1.332 115.871 114.554 -0.025 0.000 2.754 290 T HA 0.153 4.503 4.350 -0.001 0.000 0.286 290 T C 1.037 175.724 174.700 -0.022 0.000 0.997 290 T CA -0.034 62.052 62.100 -0.023 0.000 0.982 290 T CB 0.748 69.606 68.868 -0.016 0.000 1.027 290 T HN 0.667 nan 8.240 nan 0.000 0.529 291 E N 0.480 120.670 120.200 -0.018 0.000 2.338 291 E HA -0.130 4.219 4.350 -0.001 0.000 0.197 291 E C 1.029 177.624 176.600 -0.008 0.000 1.007 291 E CA 1.261 57.653 56.400 -0.013 0.000 0.849 291 E CB -0.298 29.396 29.700 -0.010 0.000 0.774 291 E HN 0.780 nan 8.360 nan 0.000 0.506 292 D N -0.011 120.384 120.400 -0.009 0.000 2.593 292 D HA -0.007 4.632 4.640 -0.001 0.000 0.241 292 D C 0.237 176.533 176.300 -0.008 0.000 1.257 292 D CA -0.372 53.625 54.000 -0.006 0.000 0.828 292 D CB 0.017 40.814 40.800 -0.005 0.000 1.049 292 D HN 0.110 nan 8.370 nan 0.000 0.490 293 L N 0.360 121.577 121.223 -0.011 0.000 4.040 293 L HA -0.202 4.138 4.340 -0.001 0.000 0.410 293 L C -0.521 176.341 176.870 -0.013 0.000 1.187 293 L CA 0.752 55.584 54.840 -0.013 0.000 0.956 293 L CB -2.314 39.739 42.059 -0.010 0.000 2.022 293 L HN 0.277 nan 8.230 nan 0.000 0.897 294 D N 0.627 121.020 120.400 -0.013 0.000 2.233 294 D HA 0.357 4.996 4.640 -0.001 0.000 0.240 294 D C 0.274 176.566 176.300 -0.013 0.000 1.074 294 D CA -0.376 53.617 54.000 -0.011 0.000 0.838 294 D CB 1.267 42.062 40.800 -0.009 0.000 1.124 294 D HN 0.258 nan 8.370 nan 0.000 0.475 295 I N 5.033 125.595 120.570 -0.012 0.000 2.389 295 I HA 0.190 4.360 4.170 -0.001 0.000 0.295 295 I C -0.939 175.175 176.117 -0.005 0.000 1.117 295 I CA -0.229 61.064 61.300 -0.011 0.000 1.317 295 I CB 0.251 38.243 38.000 -0.013 0.000 1.431 295 I HN 0.052 nan 8.210 nan 0.000 0.521 296 V N 8.004 127.915 119.914 -0.005 0.000 2.435 296 V HA 0.689 4.808 4.120 -0.001 0.000 0.290 296 V C -0.265 175.833 176.094 0.007 0.000 1.030 296 V CA 0.104 62.405 62.300 0.000 0.000 0.881 296 V CB 1.954 33.774 31.823 -0.005 0.000 0.983 296 V HN 0.887 nan 8.190 nan 0.000 0.445 297 S N 7.226 122.940 115.700 0.023 0.000 2.556 297 S HA 0.784 5.254 4.470 -0.001 0.000 0.271 297 S C -1.224 173.394 174.600 0.030 0.000 1.135 297 S CA -1.102 57.123 58.200 0.041 0.000 0.858 297 S CB 2.344 65.601 63.200 0.096 0.000 1.114 297 S HN 0.708 nan 8.310 nan 0.000 0.468 298 R N 0.633 121.122 120.500 -0.019 0.000 2.538 298 R HA 0.714 5.053 4.340 -0.001 0.000 0.292 298 R C -0.021 176.138 176.300 -0.234 0.000 1.008 298 R CA -0.361 55.683 56.100 -0.093 0.000 0.896 298 R CB 1.850 32.116 30.300 -0.057 0.000 1.187 298 R HN 1.006 nan 8.270 nan 0.000 0.440 299 G N 0.913 109.428 108.800 -0.476 0.000 3.013 299 G HA2 0.748 4.707 3.960 -0.001 0.000 0.278 299 G HA3 0.748 4.707 3.960 -0.001 0.000 0.278 299 G C -1.208 173.517 174.900 -0.291 0.000 1.353 299 G CA -0.573 44.121 45.100 -0.678 0.000 1.043 299 G HN 0.385 nan 8.290 nan 0.000 0.523 300 R N -0.891 119.533 120.500 -0.126 0.000 2.561 300 R HA 0.505 4.844 4.340 -0.001 0.000 0.266 300 R C -1.612 174.796 176.300 0.180 0.000 1.091 300 R CA -0.428 55.683 56.100 0.018 0.000 0.927 300 R CB 1.760 32.103 30.300 0.071 0.000 1.240 300 R HN 0.546 nan 8.270 nan 0.000 0.449 301 T N 4.469 119.083 114.554 0.100 0.000 2.794 301 T HA 0.541 4.890 4.350 -0.001 0.000 0.280 301 T C -0.963 173.820 174.700 0.138 0.000 0.987 301 T CA -0.181 62.027 62.100 0.180 0.000 0.993 301 T CB 0.401 69.315 68.868 0.077 0.000 0.939 301 T HN 0.235 nan 8.240 nan 0.000 0.449 302 F N 3.460 123.342 119.950 -0.114 0.000 2.497 302 F HA 0.462 4.988 4.527 -0.001 0.000 0.331 302 F C -1.359 174.263 175.800 -0.296 0.000 1.060 302 F CA -2.566 55.270 58.000 -0.273 0.000 0.989 302 F CB 0.893 39.607 39.000 -0.477 0.000 1.245 302 F HN 0.310 nan 8.300 nan 0.000 0.486 303 P HA 0.057 nan 4.420 nan 0.000 0.255 303 P C -0.979 176.309 177.300 -0.020 0.000 1.301 303 P CA 0.719 63.772 63.100 -0.079 0.000 0.817 303 P CB -0.237 31.449 31.700 -0.024 0.000 1.259 304 H N -3.711 115.457 119.070 0.162 0.000 2.933 304 H HA 0.644 5.199 4.556 -0.002 0.000 0.310 304 H C 0.027 175.397 175.328 0.070 0.000 1.351 304 H CA -1.053 55.058 56.048 0.105 0.000 1.137 304 H CB -0.066 29.755 29.762 0.098 0.000 1.853 304 H HN -0.116 nan 8.280 nan 0.000 0.539 305 G N -0.205 108.759 108.800 0.274 0.000 2.544 305 G HA2 0.428 4.388 3.960 -0.001 0.000 0.242 305 G HA3 0.428 4.388 3.960 -0.001 0.000 0.242 305 G C -0.444 174.543 174.900 0.144 0.000 1.247 305 G CA -0.708 44.480 45.100 0.147 0.000 0.840 305 G HN 0.600 nan 8.290 nan 0.000 0.578 306 I N 1.783 122.347 120.570 -0.011 0.000 2.306 306 I HA 0.161 4.330 4.170 -0.001 0.000 0.288 306 I C 0.900 177.013 176.117 -0.006 0.000 1.036 306 I CA -0.417 60.820 61.300 -0.105 0.000 1.221 306 I CB 1.194 39.056 38.000 -0.230 0.000 1.385 306 I HN 0.509 nan 8.210 nan 0.000 0.472 307 S N 5.224 120.919 115.700 -0.008 0.000 2.572 307 S HA 0.098 4.567 4.470 -0.001 0.000 0.279 307 S C 1.172 175.758 174.600 -0.024 0.000 1.341 307 S CA -0.530 57.667 58.200 -0.005 0.000 1.043 307 S CB 1.427 64.601 63.200 -0.043 0.000 0.887 307 S HN 0.778 nan 8.310 nan 0.000 0.516 308 K N 0.845 121.103 120.400 -0.237 0.000 2.063 308 K HA -0.222 4.097 4.320 -0.001 0.000 0.208 308 K C 1.921 178.489 176.600 -0.055 0.000 1.048 308 K CA 1.899 57.880 56.287 -0.511 0.000 0.928 308 K CB -0.354 31.519 32.500 -1.045 0.000 0.713 308 K HN 0.771 nan 8.250 nan 0.000 0.442 309 E N 0.377 120.520 120.200 -0.095 0.000 2.160 309 E HA -0.146 4.203 4.350 -0.001 0.000 0.195 309 E C 1.494 178.127 176.600 0.055 0.000 0.991 309 E CA 2.025 58.388 56.400 -0.061 0.000 0.810 309 E CB -0.385 29.254 29.700 -0.102 0.000 0.742 309 E HN 0.320 nan 8.360 nan 0.000 0.466 310 T N -0.123 114.465 114.554 0.057 0.000 2.942 310 T HA 0.078 4.427 4.350 -0.001 0.000 0.265 310 T C 1.726 176.524 174.700 0.164 0.000 1.062 310 T CA 0.990 63.146 62.100 0.092 0.000 1.139 310 T CB -0.352 68.530 68.868 0.025 0.000 0.883 310 T HN 0.348 nan 8.240 nan 0.000 0.468 311 A N 0.812 123.756 122.820 0.205 0.000 1.851 311 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 311 A C 1.964 179.740 177.584 0.320 0.000 1.195 311 A CA 1.565 53.794 52.037 0.320 0.000 0.622 311 A CB -1.267 18.021 19.000 0.480 0.000 0.831 311 A HN 0.546 nan 8.150 nan 0.000 0.444 312 Y N 0.075 120.488 120.300 0.189 0.000 2.069 312 Y HA -0.270 4.279 4.550 -0.001 0.000 0.278 312 Y C 3.267 179.308 175.900 0.236 0.000 1.175 312 Y CA 2.044 60.273 58.100 0.214 0.000 1.134 312 Y CB -0.465 37.977 38.460 -0.030 0.000 0.965 312 Y HN 0.385 nan 8.280 nan 0.000 0.498 313 S N -0.435 115.457 115.700 0.321 0.000 2.353 313 S HA -0.269 4.200 4.470 -0.001 0.000 0.222 313 S C 2.038 176.775 174.600 0.229 0.000 1.035 313 S CA 1.850 60.191 58.200 0.235 0.000 1.025 313 S CB -0.325 62.980 63.200 0.175 0.000 0.902 313 S HN 0.474 nan 8.310 nan 0.000 0.440 314 E N 0.926 121.272 120.200 0.242 0.000 2.107 314 E HA 0.039 4.388 4.350 -0.001 0.000 0.191 314 E C 2.163 178.880 176.600 0.195 0.000 0.982 314 E CA 1.297 57.844 56.400 0.244 0.000 0.809 314 E CB -0.516 29.385 29.700 0.334 0.000 0.756 314 E HN 0.496 nan 8.360 nan 0.000 0.459 315 S N -0.467 115.352 115.700 0.198 0.000 2.402 315 S HA -0.165 4.304 4.470 -0.001 0.000 0.233 315 S C 1.950 176.605 174.600 0.092 0.000 1.030 315 S CA 1.214 59.491 58.200 0.129 0.000 1.003 315 S CB -0.294 62.978 63.200 0.121 0.000 0.813 315 S HN 0.145 nan 8.310 nan 0.000 0.477 316 V N 1.975 121.976 119.914 0.144 0.000 2.283 316 V HA -0.158 3.962 4.120 -0.001 0.000 0.243 316 V C 2.251 178.392 176.094 0.078 0.000 1.039 316 V CA 1.478 63.843 62.300 0.108 0.000 1.016 316 V CB -0.578 31.353 31.823 0.181 0.000 0.650 316 V HN 0.438 nan 8.190 nan 0.000 0.449 317 K N 0.352 120.810 120.400 0.097 0.000 2.020 317 K HA -0.184 4.135 4.320 -0.001 0.000 0.212 317 K C 2.143 178.770 176.600 0.045 0.000 1.050 317 K CA 1.660 57.990 56.287 0.071 0.000 0.929 317 K CB -0.551 31.999 32.500 0.084 0.000 0.714 317 K HN 0.329 nan 8.250 nan 0.000 0.443 318 L N 0.799 122.050 121.223 0.047 0.000 2.079 318 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 318 L C 2.546 179.417 176.870 0.002 0.000 1.081 318 L CA 0.592 55.441 54.840 0.015 0.000 0.752 318 L CB -0.499 41.566 42.059 0.010 0.000 0.896 318 L HN 0.191 nan 8.230 nan 0.000 0.433 319 L N -0.196 121.029 121.223 0.005 0.000 2.027 319 L HA -0.209 4.130 4.340 -0.001 0.000 0.206 319 L C 2.527 179.395 176.870 -0.004 0.000 1.074 319 L CA 1.721 56.554 54.840 -0.011 0.000 0.745 319 L CB -0.575 41.467 42.059 -0.028 0.000 0.898 319 L HN 0.209 nan 8.230 nan 0.000 0.433 320 Q N -0.669 119.136 119.800 0.009 0.000 2.170 320 Q HA -0.263 4.076 4.340 -0.001 0.000 0.203 320 Q C 2.222 178.227 176.000 0.007 0.000 0.976 320 Q CA 1.759 57.569 55.803 0.012 0.000 0.858 320 Q CB -0.107 28.645 28.738 0.024 0.000 0.907 320 Q HN 0.499 nan 8.270 nan 0.000 0.433 321 K N 0.809 121.212 120.400 0.005 0.000 2.001 321 K HA -0.140 4.179 4.320 -0.001 0.000 0.208 321 K C 1.945 178.543 176.600 -0.005 0.000 1.048 321 K CA 1.017 57.304 56.287 -0.001 0.000 0.932 321 K CB -0.047 32.449 32.500 -0.006 0.000 0.715 321 K HN 0.114 nan 8.250 nan 0.000 0.437 322 I N 1.331 121.896 120.570 -0.008 0.000 2.069 322 I HA -0.362 3.807 4.170 -0.001 0.000 0.237 322 I C 2.183 178.296 176.117 -0.007 0.000 1.053 322 I CA 1.448 62.742 61.300 -0.010 0.000 1.311 322 I CB -0.376 37.616 38.000 -0.013 0.000 1.030 322 I HN 0.222 nan 8.210 nan 0.000 0.398 323 L N 0.256 121.475 121.223 -0.007 0.000 2.197 323 L HA -0.274 4.065 4.340 -0.001 0.000 0.215 323 L C 2.386 179.255 176.870 -0.002 0.000 1.095 323 L CA 1.438 56.275 54.840 -0.005 0.000 0.764 323 L CB -0.664 41.394 42.059 -0.002 0.000 0.897 323 L HN 0.355 nan 8.230 nan 0.000 0.436 324 E N -0.038 120.162 120.200 -0.001 0.000 2.076 324 E HA -0.157 4.192 4.350 -0.001 0.000 0.190 324 E C 1.469 178.068 176.600 -0.002 0.000 0.979 324 E CA 0.939 57.338 56.400 -0.000 0.000 0.807 324 E CB 0.079 29.779 29.700 0.000 0.000 0.761 324 E HN 0.558 nan 8.360 nan 0.000 0.454 325 E N 0.486 120.683 120.200 -0.003 0.000 2.437 325 E HA 0.086 4.435 4.350 -0.001 0.000 0.189 325 E C -0.404 176.193 176.600 -0.004 0.000 1.054 325 E CA -0.042 56.356 56.400 -0.004 0.000 0.874 325 E CB 0.389 30.086 29.700 -0.005 0.000 1.011 325 E HN 0.116 nan 8.360 nan 0.000 0.474 326 D N -0.851 119.547 120.400 -0.004 0.000 2.732 326 D HA 0.187 4.826 4.640 -0.001 0.000 0.292 326 D C 0.242 176.539 176.300 -0.004 0.000 1.135 326 D CA -0.445 53.552 54.000 -0.005 0.000 1.071 326 D CB 1.538 42.334 40.800 -0.007 0.000 1.457 326 D HN -0.140 nan 8.370 nan 0.000 0.547 327 E N -0.683 119.515 120.200 -0.005 0.000 3.100 327 E HA 0.223 4.573 4.350 -0.001 0.000 0.191 327 E C -0.184 176.413 176.600 -0.006 0.000 1.097 327 E CA -0.402 55.995 56.400 -0.004 0.000 1.339 327 E CB 0.243 29.941 29.700 -0.003 0.000 1.330 327 E HN 0.106 nan 8.360 nan 0.000 0.511 328 R N 2.717 123.213 120.500 -0.007 0.000 2.531 328 R HA -0.096 4.243 4.340 -0.001 0.000 0.273 328 R C -0.488 175.805 176.300 -0.011 0.000 0.974 328 R CA 0.568 56.663 56.100 -0.008 0.000 1.088 328 R CB -0.142 30.152 30.300 -0.010 0.000 0.880 328 R HN -0.040 nan 8.270 nan 0.000 0.426 329 K N 2.110 122.503 120.400 -0.012 0.000 2.185 329 K HA 0.334 4.653 4.320 -0.001 0.000 0.271 329 K C 0.048 176.633 176.600 -0.024 0.000 1.013 329 K CA -0.224 56.054 56.287 -0.016 0.000 0.943 329 K CB 0.598 33.090 32.500 -0.013 0.000 0.998 329 K HN 0.377 nan 8.250 nan 0.000 0.468 330 I N 2.276 122.826 120.570 -0.033 0.000 2.428 330 I HA 0.201 4.370 4.170 -0.001 0.000 0.289 330 I C 1.458 177.534 176.117 -0.069 0.000 1.019 330 I CA -0.217 61.053 61.300 -0.049 0.000 1.351 330 I CB 1.217 39.184 38.000 -0.054 0.000 1.412 330 I HN 0.630 nan 8.210 nan 0.000 0.513 331 R N 4.501 124.958 120.500 -0.072 0.000 2.076 331 R HA 0.298 4.637 4.340 -0.001 0.000 0.203 331 R C 0.362 176.585 176.300 -0.129 0.000 1.229 331 R CA 0.069 56.117 56.100 -0.086 0.000 1.094 331 R CB 0.534 30.802 30.300 -0.054 0.000 0.991 331 R HN 0.526 nan 8.270 nan 0.000 0.471 332 R N 0.511 120.950 120.500 -0.102 0.000 2.532 332 R HA 0.390 4.730 4.340 -0.001 0.000 0.295 332 R C -1.234 175.008 176.300 -0.096 0.000 0.968 332 R CA -0.754 55.282 56.100 -0.108 0.000 0.916 332 R CB 1.968 32.225 30.300 -0.071 0.000 1.124 332 R HN 0.084 nan 8.270 nan 0.000 0.463 333 I N 0.488 120.997 120.570 -0.101 0.000 2.619 333 I HA 0.663 4.832 4.170 -0.001 0.000 0.292 333 I C -0.647 175.441 176.117 -0.048 0.000 1.100 333 I CA -0.136 61.120 61.300 -0.074 0.000 1.043 333 I CB 2.271 40.223 38.000 -0.079 0.000 1.239 333 I HN 0.749 nan 8.210 nan 0.000 0.420 334 G N 5.203 113.972 108.800 -0.051 0.000 2.606 334 G HA2 0.671 4.630 3.960 -0.001 0.000 0.300 334 G HA3 0.671 4.630 3.960 -0.001 0.000 0.300 334 G C -1.692 173.156 174.900 -0.087 0.000 1.360 334 G CA -0.057 45.011 45.100 -0.053 0.000 0.783 334 G HN 1.115 nan 8.290 nan 0.000 0.484 335 V N -2.928 116.905 119.914 -0.134 0.000 3.102 335 V HA 0.959 5.078 4.120 -0.001 0.000 0.312 335 V C -0.886 175.018 176.094 -0.317 0.000 1.135 335 V CA -1.348 60.800 62.300 -0.253 0.000 1.022 335 V CB 2.193 33.780 31.823 -0.395 0.000 1.056 335 V HN 0.826 nan 8.190 nan 0.000 0.436 336 R N 1.215 121.468 120.500 -0.411 0.000 2.564 336 R HA 0.597 4.936 4.340 -0.001 0.000 0.284 336 R C -2.200 173.874 176.300 -0.377 0.000 1.031 336 R CA -0.245 55.669 56.100 -0.311 0.000 0.904 336 R CB 2.134 32.351 30.300 -0.137 0.000 1.199 336 R HN 0.745 nan 8.270 nan 0.000 0.443 337 F N 0.832 120.785 119.950 0.005 0.000 2.469 337 F HA 0.522 5.048 4.527 -0.001 0.000 0.332 337 F C 0.792 176.468 175.800 -0.208 0.000 1.103 337 F CA -0.380 57.598 58.000 -0.036 0.000 0.979 337 F CB 2.048 41.046 39.000 -0.003 0.000 1.137 337 F HN 0.529 nan 8.300 nan 0.000 0.463 338 S N 0.351 115.961 115.700 -0.151 0.000 2.819 338 S HA 0.592 5.061 4.470 -0.001 0.000 0.299 338 S C -0.980 173.276 174.600 -0.575 0.000 1.192 338 S CA -1.348 56.501 58.200 -0.586 0.000 0.847 338 S CB 1.603 64.618 63.200 -0.309 0.000 1.224 338 S HN 0.564 nan 8.310 nan 0.000 0.537 339 K N 0.439 120.527 120.400 -0.519 0.000 3.419 339 K HA -0.141 4.178 4.320 -0.001 0.000 0.272 339 K C -1.080 175.419 176.600 -0.169 0.000 0.973 339 K CA 0.260 56.401 56.287 -0.244 0.000 0.749 339 K CB -1.968 30.478 32.500 -0.090 0.000 1.403 339 K HN 0.410 nan 8.250 nan 0.000 0.456 340 F N 0.579 120.545 119.950 0.027 0.000 2.539 340 F HA 0.086 4.611 4.527 -0.002 0.000 0.340 340 F C 1.698 177.507 175.800 0.014 0.000 1.185 340 F CA -0.445 57.561 58.000 0.011 0.000 1.333 340 F CB 0.281 39.282 39.000 0.002 0.000 1.152 340 F HN 0.076 nan 8.300 nan 0.000 0.602 341 I N 2.156 122.861 120.570 0.225 0.000 2.256 341 I HA 0.481 4.651 4.170 -0.001 0.000 0.294 341 I C 0.159 176.337 176.117 0.102 0.000 1.127 341 I CA 0.451 61.827 61.300 0.128 0.000 1.247 341 I CB -0.679 37.380 38.000 0.098 0.000 1.460 341 I HN 0.816 nan 8.210 nan 0.000 0.511 342 E N 0.000 120.259 120.200 0.099 0.000 2.725 342 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 342 E CA 0.000 nan 56.400 nan 0.000 0.976 342 E CB 0.000 nan 29.700 nan 0.000 0.812 342 E HN 0.000 nan 8.360 nan 0.000 0.440