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 3bwn_1_C DATA FIRST_RESID 18 DATA SEQUENCE IPMSDFVVNL DHGDPTAYEE YWRKMGDRCT VTIRGCDLMS YFSDMTNLCW DATA SEQUENCE FLEPELEDAI KDLHGVVGNA ATEDRYIVVG TGSTQLCQAA VHALSSLARS DATA SEQUENCE QPVSVVAAAP FYSTYVEETT YVRSGMYKWE GDAWGFDKKG PYIELVTSPN DATA SEQUENCE NPDGTIRETV VXXXXXXXAK VIHDFAYYWP HYTPITRRQD HDIMLFTFSX DATA SEQUENCE ITGHAGSRIG WALVKDKEVA KKMVEYIIVN SIGVSKESQV RTAKILNVLK DATA SEQUENCE ETCKSESESE NFFKYGREMM KNRWEKLREV VKESDAFTLP KYPEAFCNYF DATA SEQUENCE GKSLESYPAF AWLGTKEETD LVSELRRHKV MSRAGERCGS DKKHVRVSML DATA SEQUENCE SREDVFNVFL ERLANMKL 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 18 I HA 0.000 nan 4.170 nan 0.000 0.288 18 I C 0.000 176.124 176.117 0.012 0.000 1.063 18 I CA 0.000 61.307 61.300 0.012 0.000 1.566 18 I CB 0.000 38.003 38.000 0.005 0.000 1.214 19 P HA 0.255 nan 4.420 nan 0.000 0.266 19 P C 0.387 177.711 177.300 0.041 0.000 1.215 19 P CA 0.212 63.327 63.100 0.024 0.000 0.763 19 P CB 1.369 33.083 31.700 0.025 0.000 0.806 20 M N 2.785 122.402 119.600 0.027 0.000 2.476 20 M HA -0.126 4.354 4.480 -0.000 0.000 0.262 20 M C 1.747 178.104 176.300 0.096 0.000 1.079 20 M CA 1.273 56.595 55.300 0.038 0.000 1.104 20 M CB -0.417 32.177 32.600 -0.010 0.000 1.409 20 M HN 0.448 nan 8.290 nan 0.000 0.467 21 S N -1.680 114.064 115.700 0.073 0.000 2.555 21 S HA -0.043 4.427 4.470 -0.000 0.000 0.230 21 S C 1.260 175.913 174.600 0.088 0.000 0.978 21 S CA 0.747 58.993 58.200 0.078 0.000 0.934 21 S CB -0.381 62.844 63.200 0.041 0.000 0.766 21 S HN 0.461 nan 8.310 nan 0.000 0.533 22 D N 0.268 120.730 120.400 0.103 0.000 2.339 22 D HA 0.206 4.846 4.640 -0.000 0.000 0.217 22 D C -0.537 175.854 176.300 0.151 0.000 1.050 22 D CA -0.043 54.015 54.000 0.097 0.000 0.856 22 D CB 0.027 40.871 40.800 0.072 0.000 0.922 22 D HN 0.408 nan 8.370 nan 0.000 0.518 23 F N 1.776 121.737 119.950 0.018 0.000 2.438 23 F HA 0.142 4.669 4.527 -0.000 0.000 0.356 23 F C 0.045 175.862 175.800 0.029 0.000 1.099 23 F CA -0.664 57.350 58.000 0.024 0.000 1.185 23 F CB 0.911 39.926 39.000 0.025 0.000 1.115 23 F HN -0.382 nan 8.300 nan 0.000 0.526 24 V N 7.583 127.192 119.914 -0.509 0.000 2.389 24 V HA 0.123 4.242 4.120 -0.000 0.000 0.264 24 V C -0.163 175.580 176.094 -0.584 0.000 1.049 24 V CA -0.670 61.393 62.300 -0.396 0.000 0.932 24 V CB 0.900 32.571 31.823 -0.253 0.000 1.011 24 V HN 0.506 nan 8.190 nan 0.000 0.475 25 V N 6.006 125.774 119.914 -0.244 0.000 2.397 25 V HA 0.150 4.270 4.120 -0.000 0.000 0.262 25 V C 0.642 176.656 176.094 -0.134 0.000 1.047 25 V CA -0.078 62.158 62.300 -0.107 0.000 1.003 25 V CB 0.632 32.507 31.823 0.086 0.000 1.037 25 V HN 0.842 nan 8.190 nan 0.000 0.480 26 N N 6.191 124.794 118.700 -0.161 0.000 2.699 26 N HA 0.330 5.070 4.740 -0.000 0.000 0.232 26 N C -0.291 175.034 175.510 -0.309 0.000 1.027 26 N CA -0.265 52.674 53.050 -0.185 0.000 0.920 26 N CB 1.093 39.513 38.487 -0.112 0.000 1.148 26 N HN 0.615 nan 8.380 nan 0.000 0.509 27 L N 2.142 123.187 121.223 -0.296 0.000 3.154 27 L HA 0.250 4.590 4.340 -0.000 0.000 0.266 27 L C 0.930 177.652 176.870 -0.247 0.000 1.300 27 L CA -0.193 54.459 54.840 -0.313 0.000 1.028 27 L CB 0.585 42.435 42.059 -0.348 0.000 1.412 27 L HN 0.299 nan 8.230 nan 0.000 0.564 28 D N -0.101 120.130 120.400 -0.281 0.000 2.202 28 D HA -0.072 4.568 4.640 -0.000 0.000 0.214 28 D C 0.920 177.185 176.300 -0.057 0.000 0.967 28 D CA 0.694 54.612 54.000 -0.136 0.000 0.871 28 D CB 0.251 41.001 40.800 -0.083 0.000 1.020 28 D HN 0.502 nan 8.370 nan 0.000 0.474 29 H N -1.950 117.153 119.070 0.055 0.000 2.629 29 H HA 0.513 5.069 4.556 -0.000 0.000 0.357 29 H C 0.865 176.297 175.328 0.173 0.000 1.121 29 H CA -0.216 55.888 56.048 0.093 0.000 1.406 29 H CB 1.153 30.950 29.762 0.059 0.000 1.456 29 H HN 0.009 nan 8.280 nan 0.000 0.579 30 G N 1.695 110.745 108.800 0.417 0.000 3.639 30 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.279 30 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.279 30 G C -0.380 174.696 174.900 0.293 0.000 1.312 30 G CA -0.446 44.913 45.100 0.433 0.000 1.355 30 G HN 0.771 nan 8.290 nan 0.000 0.595 31 D N 1.727 122.379 120.400 0.421 0.000 2.389 31 D HA 0.144 4.784 4.640 -0.000 0.000 0.263 31 D C -1.679 174.717 176.300 0.160 0.000 1.255 31 D CA -1.681 52.473 54.000 0.255 0.000 0.914 31 D CB 1.411 42.330 40.800 0.199 0.000 1.116 31 D HN 0.103 nan 8.370 nan 0.000 0.502 32 P HA 0.058 nan 4.420 nan 0.000 0.225 32 P C 0.402 177.763 177.300 0.102 0.000 1.768 32 P CA -0.085 63.090 63.100 0.125 0.000 0.943 32 P CB -0.578 31.276 31.700 0.257 0.000 1.936 33 T N -3.522 111.066 114.554 0.057 0.000 3.160 33 T HA 0.101 4.450 4.350 -0.000 0.000 0.257 33 T C 1.676 176.382 174.700 0.011 0.000 1.147 33 T CA 0.500 62.633 62.100 0.054 0.000 1.064 33 T CB -0.308 68.600 68.868 0.066 0.000 0.949 33 T HN 0.116 nan 8.240 nan 0.000 0.526 34 A N 0.708 123.451 122.820 -0.127 0.000 2.070 34 A HA 0.041 4.361 4.320 -0.000 0.000 0.220 34 A C 1.463 178.949 177.584 -0.164 0.000 1.159 34 A CA 0.713 52.599 52.037 -0.252 0.000 0.656 34 A CB -0.812 17.885 19.000 -0.506 0.000 0.800 34 A HN 0.651 nan 8.150 nan 0.000 0.453 35 Y N -0.755 119.672 120.300 0.212 0.000 2.457 35 Y HA 0.205 4.755 4.550 -0.000 0.000 0.263 35 Y C 1.947 178.046 175.900 0.333 0.000 1.164 35 Y CA 0.065 58.348 58.100 0.305 0.000 1.274 35 Y CB -0.151 38.568 38.460 0.431 0.000 1.097 35 Y HN 0.453 nan 8.280 nan 0.000 0.523 36 E N 0.608 121.005 120.200 0.328 0.000 2.028 36 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 36 E C 1.879 178.610 176.600 0.218 0.000 0.988 36 E CA 0.922 57.477 56.400 0.260 0.000 0.799 36 E CB 0.192 29.979 29.700 0.145 0.000 0.755 36 E HN 0.328 nan 8.360 nan 0.000 0.447 37 E N 0.030 120.328 120.200 0.163 0.000 2.097 37 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 37 E C 1.876 178.492 176.600 0.028 0.000 1.000 37 E CA 1.132 57.594 56.400 0.102 0.000 0.804 37 E CB -0.396 29.375 29.700 0.119 0.000 0.740 37 E HN 0.380 nan 8.360 nan 0.000 0.454 38 Y N -0.116 120.104 120.300 -0.133 0.000 2.053 38 Y HA -0.278 4.272 4.550 -0.000 0.000 0.277 38 Y C 2.089 177.747 175.900 -0.404 0.000 1.159 38 Y CA 2.251 60.059 58.100 -0.487 0.000 1.125 38 Y CB -0.800 37.190 38.460 -0.782 0.000 0.969 38 Y HN 0.053 nan 8.280 nan 0.000 0.492 39 W N 0.327 121.637 121.300 0.016 0.000 2.402 39 W HA -0.091 4.569 4.660 0.000 0.000 0.286 39 W C 2.768 179.230 176.519 -0.096 0.000 1.221 39 W CA 1.373 58.691 57.345 -0.044 0.000 1.257 39 W CB -0.350 29.195 29.460 0.142 0.000 1.120 39 W HN -0.020 nan 8.180 nan 0.000 0.551 40 R N 1.438 122.005 120.500 0.112 0.000 2.066 40 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 40 R C 1.845 178.127 176.300 -0.029 0.000 1.131 40 R CA 1.607 57.742 56.100 0.057 0.000 0.955 40 R CB -0.301 30.032 30.300 0.055 0.000 0.851 40 R HN 0.041 nan 8.270 nan 0.000 0.432 41 K N -0.133 120.199 120.400 -0.115 0.000 2.360 41 K HA -0.065 4.255 4.320 -0.000 0.000 0.201 41 K C 1.827 178.298 176.600 -0.216 0.000 1.046 41 K CA 0.940 57.128 56.287 -0.164 0.000 0.945 41 K CB 0.033 32.412 32.500 -0.202 0.000 0.750 41 K HN 0.242 nan 8.250 nan 0.000 0.464 42 M N 0.289 119.727 119.600 -0.272 0.000 2.557 42 M HA 0.005 4.485 4.480 -0.000 0.000 0.259 42 M C 1.154 177.412 176.300 -0.070 0.000 1.086 42 M CA 0.927 56.093 55.300 -0.223 0.000 1.096 42 M CB -1.020 31.449 32.600 -0.218 0.000 1.424 42 M HN 0.362 nan 8.290 nan 0.000 0.488 43 G N 1.146 109.925 108.800 -0.035 0.000 2.598 43 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 43 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 43 G C 0.113 175.021 174.900 0.013 0.000 1.302 43 G CA 0.074 45.168 45.100 -0.011 0.000 0.903 43 G HN 0.341 nan 8.290 nan 0.000 0.575 44 D N 0.582 120.985 120.400 0.005 0.000 2.310 44 D HA -0.042 4.598 4.640 -0.000 0.000 0.212 44 D C 2.421 178.726 176.300 0.008 0.000 0.965 44 D CA 1.216 55.221 54.000 0.007 0.000 0.879 44 D CB -0.200 40.601 40.800 0.001 0.000 0.921 44 D HN 0.698 nan 8.370 nan 0.000 0.510 45 R N 0.034 120.540 120.500 0.010 0.000 2.293 45 R HA -0.016 4.324 4.340 -0.000 0.000 0.219 45 R C 1.244 177.557 176.300 0.020 0.000 1.091 45 R CA 0.992 57.099 56.100 0.011 0.000 1.004 45 R CB -0.659 29.647 30.300 0.010 0.000 0.865 45 R HN 0.055 nan 8.270 nan 0.000 0.469 46 C N 0.477 119.798 119.300 0.036 0.000 2.791 46 C HA 0.243 4.703 4.460 -0.000 0.000 0.270 46 C C 0.360 175.341 174.990 -0.014 0.000 1.257 46 C CA -0.339 58.697 59.018 0.028 0.000 1.699 46 C CB -0.363 27.437 27.740 0.100 0.000 1.904 46 C HN 0.431 nan 8.230 nan 0.000 0.603 47 T N 1.718 116.268 114.554 -0.006 0.000 2.901 47 T HA 0.304 4.654 4.350 -0.000 0.000 0.301 47 T C -0.048 174.635 174.700 -0.028 0.000 1.012 47 T CA 0.560 62.652 62.100 -0.012 0.000 1.135 47 T CB 0.971 69.836 68.868 -0.004 0.000 0.936 47 T HN 0.042 nan 8.240 nan 0.000 0.539 48 V N 3.776 123.671 119.914 -0.032 0.000 2.459 48 V HA 0.457 4.577 4.120 -0.000 0.000 0.295 48 V C 0.304 176.382 176.094 -0.026 0.000 1.029 48 V CA -0.604 61.673 62.300 -0.039 0.000 0.874 48 V CB 2.104 33.895 31.823 -0.052 0.000 0.985 48 V HN 0.957 nan 8.190 nan 0.000 0.438 49 T N 6.348 120.887 114.554 -0.026 0.000 2.792 49 T HA 0.634 4.984 4.350 -0.000 0.000 0.280 49 T C -0.751 173.937 174.700 -0.020 0.000 0.990 49 T CA -0.285 61.803 62.100 -0.019 0.000 0.960 49 T CB 0.886 69.744 68.868 -0.016 0.000 0.939 49 T HN 0.282 nan 8.240 nan 0.000 0.439 50 I N 3.465 124.024 120.570 -0.017 0.000 2.447 50 I HA 0.427 4.597 4.170 -0.000 0.000 0.287 50 I C 0.381 176.490 176.117 -0.014 0.000 1.023 50 I CA -0.827 60.463 61.300 -0.017 0.000 1.083 50 I CB 1.779 39.769 38.000 -0.017 0.000 1.245 50 I HN 0.473 nan 8.210 nan 0.000 0.434 51 R N 2.748 123.240 120.500 -0.013 0.000 2.549 51 R HA 0.436 4.776 4.340 -0.000 0.000 0.267 51 R C 1.339 177.632 176.300 -0.012 0.000 1.045 51 R CA -0.322 55.772 56.100 -0.011 0.000 1.115 51 R CB 0.857 31.151 30.300 -0.010 0.000 1.121 51 R HN 0.796 nan 8.270 nan 0.000 0.543 52 G N 0.399 109.193 108.800 -0.011 0.000 2.469 52 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.220 52 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.220 52 G C 1.234 176.126 174.900 -0.013 0.000 1.136 52 G CA 1.319 46.412 45.100 -0.012 0.000 0.759 52 G HN 0.770 nan 8.290 nan 0.000 0.562 53 C N -0.394 118.900 119.300 -0.011 0.000 2.754 53 C HA 0.380 4.840 4.460 -0.000 0.000 0.276 53 C C 0.032 175.017 174.990 -0.009 0.000 1.264 53 C CA -1.466 57.546 59.018 -0.010 0.000 1.700 53 C CB -0.637 27.099 27.740 -0.007 0.000 1.885 53 C HN 0.149 nan 8.230 nan 0.000 0.607 54 D N 1.116 121.510 120.400 -0.010 0.000 2.329 54 D HA 0.394 5.034 4.640 -0.000 0.000 0.246 54 D C 1.022 177.317 176.300 -0.010 0.000 1.111 54 D CA 0.107 54.102 54.000 -0.008 0.000 0.941 54 D CB 0.708 41.502 40.800 -0.009 0.000 1.169 54 D HN 0.433 nan 8.370 nan 0.000 0.441 55 L N -0.357 120.865 121.223 -0.002 0.000 4.001 55 L HA -0.297 4.043 4.340 -0.000 0.000 0.413 55 L C 1.394 178.251 176.870 -0.022 0.000 1.185 55 L CA 0.234 55.074 54.840 -0.001 0.000 0.963 55 L CB -1.598 40.459 42.059 -0.005 0.000 1.976 55 L HN 0.463 nan 8.230 nan 0.000 0.939 56 M N -1.224 118.361 119.600 -0.026 0.000 2.248 56 M HA 0.003 4.483 4.480 -0.000 0.000 0.265 56 M C 1.457 177.701 176.300 -0.095 0.000 1.079 56 M CA 1.003 56.266 55.300 -0.062 0.000 1.150 56 M CB 0.075 32.648 32.600 -0.044 0.000 1.366 56 M HN 0.388 nan 8.290 nan 0.000 0.433 57 S N -0.440 115.248 115.700 -0.020 0.000 2.563 57 S HA -0.032 4.438 4.470 -0.000 0.000 0.284 57 S C 0.771 175.342 174.600 -0.048 0.000 1.331 57 S CA -0.203 58.010 58.200 0.023 0.000 1.047 57 S CB 0.376 63.677 63.200 0.170 0.000 0.859 57 S HN 0.286 nan 8.310 nan 0.000 0.514 58 Y N 2.404 122.628 120.300 -0.126 0.000 2.256 58 Y HA -0.029 4.521 4.550 -0.000 0.000 0.288 58 Y C 0.508 176.305 175.900 -0.171 0.000 1.155 58 Y CA 0.974 58.890 58.100 -0.307 0.000 1.203 58 Y CB 0.007 38.027 38.460 -0.733 0.000 0.980 58 Y HN 0.533 nan 8.280 nan 0.000 0.530 59 F N -1.200 118.936 119.950 0.309 0.000 2.408 59 F HA 0.241 4.768 4.527 -0.000 0.000 0.344 59 F C 1.122 177.081 175.800 0.265 0.000 1.112 59 F CA -0.399 57.791 58.000 0.315 0.000 1.096 59 F CB 1.389 40.404 39.000 0.026 0.000 1.129 59 F HN -0.306 nan 8.300 nan 0.000 0.486 60 S N -0.025 115.966 115.700 0.484 0.000 2.412 60 S HA -0.013 4.457 4.470 -0.000 0.000 0.223 60 S C -0.196 174.540 174.600 0.226 0.000 1.048 60 S CA 0.577 58.949 58.200 0.286 0.000 0.954 60 S CB 0.097 63.430 63.200 0.223 0.000 0.840 60 S HN 0.641 nan 8.310 nan 0.000 0.503 61 D N 0.121 120.679 120.400 0.263 0.000 2.470 61 D HA 0.256 4.896 4.640 -0.000 0.000 0.233 61 D C 0.073 176.490 176.300 0.194 0.000 1.372 61 D CA -0.216 53.886 54.000 0.170 0.000 0.994 61 D CB 0.926 41.796 40.800 0.116 0.000 1.377 61 D HN -0.103 nan 8.370 nan 0.000 0.586 62 M N 1.459 121.123 119.600 0.107 0.000 2.562 62 M HA -0.011 4.469 4.480 -0.000 0.000 0.257 62 M C 1.696 178.040 176.300 0.072 0.000 1.099 62 M CA 0.605 55.942 55.300 0.062 0.000 1.099 62 M CB -1.034 31.517 32.600 -0.081 0.000 1.427 62 M HN 0.249 nan 8.290 nan 0.000 0.489 63 T N 1.217 115.813 114.554 0.069 0.000 2.833 63 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 63 T C 0.740 175.493 174.700 0.088 0.000 1.054 63 T CA 0.903 63.041 62.100 0.063 0.000 1.135 63 T CB -0.183 68.713 68.868 0.047 0.000 0.869 63 T HN 0.343 nan 8.240 nan 0.000 0.466 64 N N 1.096 119.862 118.700 0.110 0.000 2.498 64 N HA 0.313 5.053 4.740 -0.000 0.000 0.287 64 N C 0.642 176.223 175.510 0.117 0.000 1.097 64 N CA -0.557 52.556 53.050 0.105 0.000 0.973 64 N CB 1.011 39.536 38.487 0.063 0.000 1.153 64 N HN -0.097 nan 8.380 nan 0.000 0.472 65 L N 1.411 122.679 121.223 0.074 0.000 2.021 65 L HA -0.115 4.225 4.340 -0.000 0.000 0.215 65 L C 0.696 177.535 176.870 -0.052 0.000 1.074 65 L CA 1.597 56.440 54.840 0.006 0.000 0.760 65 L CB -0.232 41.738 42.059 -0.148 0.000 0.889 65 L HN 0.681 nan 8.230 nan 0.000 0.433 66 C N 1.984 121.187 119.300 -0.162 0.000 2.145 66 C HA 0.158 4.618 4.460 -0.000 0.000 0.374 66 C C 1.617 176.340 174.990 -0.444 0.000 1.035 66 C CA -0.799 57.914 59.018 -0.507 0.000 1.431 66 C CB -1.626 25.785 27.740 -0.548 0.000 1.789 66 C HN 0.716 nan 8.230 nan 0.000 0.483 67 W N 3.566 124.751 121.300 -0.191 0.000 2.937 67 W HA 0.105 4.765 4.660 0.000 0.000 0.245 67 W C 0.766 177.347 176.519 0.104 0.000 1.306 67 W CA -0.385 56.972 57.345 0.019 0.000 1.470 67 W CB -0.945 28.620 29.460 0.175 0.000 1.132 67 W HN 0.788 nan 8.180 nan 0.000 0.675 68 F N 0.308 120.309 119.950 0.085 0.000 2.639 68 F HA 0.478 5.005 4.527 -0.000 0.000 0.300 68 F C -0.026 175.803 175.800 0.048 0.000 1.109 68 F CA -1.049 57.014 58.000 0.106 0.000 1.335 68 F CB -0.987 37.918 39.000 -0.158 0.000 1.014 68 F HN -0.244 nan 8.300 nan 0.000 0.537 69 L N 1.975 123.134 121.223 -0.106 0.000 2.292 69 L HA 0.457 4.797 4.340 -0.000 0.000 0.284 69 L C -0.247 176.638 176.870 0.025 0.000 1.065 69 L CA -0.651 54.160 54.840 -0.049 0.000 0.806 69 L CB 0.944 42.916 42.059 -0.145 0.000 1.175 69 L HN 0.123 nan 8.230 nan 0.000 0.431 70 E N 6.600 126.815 120.200 0.026 0.000 2.194 70 E HA 0.313 4.663 4.350 -0.000 0.000 0.284 70 E C -1.974 174.611 176.600 -0.026 0.000 1.035 70 E CA -2.066 54.344 56.400 0.016 0.000 0.836 70 E CB 1.365 31.070 29.700 0.008 0.000 1.070 70 E HN 0.444 nan 8.360 nan 0.000 0.401 71 P HA -0.204 nan 4.420 nan 0.000 0.217 71 P C 0.130 177.392 177.300 -0.064 0.000 1.148 71 P CA 1.357 64.437 63.100 -0.034 0.000 0.834 71 P CB 0.313 32.003 31.700 -0.016 0.000 0.783 72 E N -1.059 119.100 120.200 -0.068 0.000 2.106 72 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 72 E C 1.854 178.371 176.600 -0.137 0.000 0.984 72 E CA 0.616 56.961 56.400 -0.092 0.000 0.806 72 E CB -1.104 28.546 29.700 -0.083 0.000 0.750 72 E HN 0.122 nan 8.360 nan 0.000 0.458 73 L N 1.382 122.514 121.223 -0.151 0.000 2.017 73 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 73 L C 2.192 178.910 176.870 -0.254 0.000 1.073 73 L CA 1.944 56.651 54.840 -0.222 0.000 0.745 73 L CB -0.501 41.444 42.059 -0.189 0.000 0.894 73 L HN 0.120 nan 8.230 nan 0.000 0.432 74 E N -0.745 119.347 120.200 -0.181 0.000 2.070 74 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 74 E C 1.743 178.241 176.600 -0.171 0.000 1.004 74 E CA 1.777 58.074 56.400 -0.170 0.000 0.805 74 E CB -0.008 29.631 29.700 -0.101 0.000 0.744 74 E HN 0.547 nan 8.360 nan 0.000 0.451 75 D N -0.204 120.113 120.400 -0.140 0.000 2.097 75 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 75 D C 1.804 178.013 176.300 -0.151 0.000 0.989 75 D CA 1.404 55.332 54.000 -0.120 0.000 0.827 75 D CB -0.451 40.293 40.800 -0.093 0.000 0.966 75 D HN 0.295 nan 8.370 nan 0.000 0.456 76 A N 1.006 123.709 122.820 -0.195 0.000 1.908 76 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 76 A C 2.093 179.483 177.584 -0.324 0.000 1.181 76 A CA 1.040 52.932 52.037 -0.243 0.000 0.627 76 A CB -0.563 18.268 19.000 -0.281 0.000 0.818 76 A HN 0.105 nan 8.150 nan 0.000 0.445 77 I N 0.252 120.557 120.570 -0.443 0.000 2.118 77 I HA -0.264 3.906 4.170 -0.000 0.000 0.241 77 I C 2.301 178.259 176.117 -0.265 0.000 1.070 77 I CA 1.790 62.732 61.300 -0.596 0.000 1.327 77 I CB -1.367 36.181 38.000 -0.754 0.000 1.034 77 I HN 0.361 nan 8.210 nan 0.000 0.405 78 K N 0.363 120.671 120.400 -0.153 0.000 2.001 78 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 78 K C 1.758 178.342 176.600 -0.027 0.000 1.048 78 K CA 1.630 57.892 56.287 -0.042 0.000 0.932 78 K CB -0.291 32.175 32.500 -0.058 0.000 0.715 78 K HN 0.248 nan 8.250 nan 0.000 0.437 79 D N 1.192 121.554 120.400 -0.064 0.000 2.182 79 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 79 D C 1.743 178.025 176.300 -0.030 0.000 0.986 79 D CA 0.720 54.694 54.000 -0.044 0.000 0.847 79 D CB -0.132 40.633 40.800 -0.059 0.000 0.942 79 D HN 0.081 nan 8.370 nan 0.000 0.467 80 L N 0.388 121.564 121.223 -0.078 0.000 2.023 80 L HA -0.156 4.184 4.340 -0.000 0.000 0.205 80 L C 2.111 178.980 176.870 -0.003 0.000 1.073 80 L CA 1.571 56.376 54.840 -0.058 0.000 0.745 80 L CB -0.417 41.554 42.059 -0.146 0.000 0.900 80 L HN 0.156 nan 8.230 nan 0.000 0.435 81 H N -0.330 118.767 119.070 0.044 0.000 2.489 81 H HA -0.097 4.458 4.556 -0.000 0.000 0.295 81 H C 2.028 177.331 175.328 -0.041 0.000 1.082 81 H CA 1.161 57.194 56.048 -0.024 0.000 1.295 81 H CB -0.362 29.356 29.762 -0.073 0.000 1.380 81 H HN 0.456 nan 8.280 nan 0.000 0.548 82 G N -0.365 108.488 108.800 0.088 0.000 2.403 82 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.216 82 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.216 82 G C 1.883 176.812 174.900 0.050 0.000 1.154 82 G CA 0.674 45.803 45.100 0.048 0.000 0.784 82 G HN 0.363 nan 8.290 nan 0.000 0.538 83 V N 0.010 119.960 119.914 0.061 0.000 2.649 83 V HA 0.026 4.146 4.120 -0.000 0.000 0.248 83 V C 2.701 178.864 176.094 0.116 0.000 1.054 83 V CA 1.129 63.489 62.300 0.099 0.000 1.073 83 V CB 0.348 32.241 31.823 0.116 0.000 0.699 83 V HN 0.173 nan 8.190 nan 0.000 0.463 84 V N 0.338 120.252 119.914 -0.000 0.000 2.825 84 V HA 0.333 4.453 4.120 -0.000 0.000 0.246 84 V C 1.845 177.876 176.094 -0.105 0.000 1.068 84 V CA 1.202 63.378 62.300 -0.207 0.000 1.088 84 V CB -0.292 31.326 31.823 -0.342 0.000 0.733 84 V HN 0.730 nan 8.190 nan 0.000 0.468 85 G N 2.209 110.980 108.800 -0.048 0.000 2.176 85 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.252 85 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.252 85 G C 0.510 175.347 174.900 -0.105 0.000 1.024 85 G CA 0.631 45.705 45.100 -0.044 0.000 0.755 85 G HN 0.668 nan 8.290 nan 0.000 0.507 86 N N -0.115 118.474 118.700 -0.185 0.000 2.325 86 N HA 0.512 5.252 4.740 -0.000 0.000 0.182 86 N C 0.634 176.091 175.510 -0.088 0.000 1.088 86 N CA 1.037 53.944 53.050 -0.239 0.000 0.879 86 N CB 0.357 38.419 38.487 -0.710 0.000 0.983 86 N HN 1.494 nan 8.380 nan 0.000 0.471 87 A N -0.387 122.344 122.820 -0.149 0.000 2.547 87 A HA 0.778 5.098 4.320 -0.000 0.000 0.297 87 A C -1.242 176.218 177.584 -0.207 0.000 1.056 87 A CA -0.585 51.319 52.037 -0.221 0.000 0.688 87 A CB 1.174 19.878 19.000 -0.492 0.000 1.282 87 A HN 0.321 nan 8.150 nan 0.000 0.400 88 A N 1.219 123.961 122.820 -0.131 0.000 2.362 88 A HA 0.549 4.869 4.320 -0.000 0.000 0.276 88 A C 1.056 178.581 177.584 -0.097 0.000 1.153 88 A CA 0.431 52.411 52.037 -0.096 0.000 0.813 88 A CB -0.277 18.679 19.000 -0.074 0.000 1.081 88 A HN 1.746 nan 8.150 nan 0.000 0.507 89 T N -0.544 113.961 114.554 -0.082 0.000 3.054 89 T HA 0.135 4.485 4.350 -0.000 0.000 0.255 89 T C 0.399 175.061 174.700 -0.064 0.000 1.035 89 T CA 0.165 62.227 62.100 -0.063 0.000 0.941 89 T CB -0.155 68.690 68.868 -0.039 0.000 1.026 89 T HN 0.751 nan 8.240 nan 0.000 0.533 90 E N 1.819 121.979 120.200 -0.067 0.000 2.283 90 E HA 0.170 4.520 4.350 -0.000 0.000 0.271 90 E C -0.748 175.791 176.600 -0.102 0.000 1.031 90 E CA -0.376 55.977 56.400 -0.077 0.000 0.868 90 E CB 0.530 30.194 29.700 -0.060 0.000 1.094 90 E HN 0.132 nan 8.360 nan 0.000 0.401 91 D N 0.504 120.826 120.400 -0.129 0.000 2.737 91 D HA -0.246 4.394 4.640 -0.000 0.000 0.233 91 D C 0.070 176.226 176.300 -0.239 0.000 1.155 91 D CA 1.437 55.337 54.000 -0.166 0.000 0.667 91 D CB -1.147 39.594 40.800 -0.098 0.000 1.060 91 D HN 0.711 nan 8.370 nan 0.000 0.427 92 R N -1.534 118.783 120.500 -0.306 0.000 2.817 92 R HA 0.619 4.959 4.340 -0.000 0.000 0.268 92 R C -1.131 174.871 176.300 -0.497 0.000 1.027 92 R CA -0.908 54.987 56.100 -0.342 0.000 0.928 92 R CB 0.965 31.208 30.300 -0.094 0.000 1.228 92 R HN -0.126 nan 8.270 nan 0.000 0.469 93 Y N 0.476 120.794 120.300 0.029 0.000 2.342 93 Y HA 0.505 5.055 4.550 -0.000 0.000 0.334 93 Y C 0.262 176.186 175.900 0.041 0.000 1.067 93 Y CA -0.855 57.258 58.100 0.022 0.000 1.128 93 Y CB 1.640 40.110 38.460 0.016 0.000 1.200 93 Y HN 0.290 nan 8.280 nan 0.000 0.464 94 I N 3.715 124.381 120.570 0.158 0.000 2.354 94 I HA 0.435 4.605 4.170 -0.000 0.000 0.292 94 I C -0.999 175.175 176.117 0.095 0.000 0.989 94 I CA -0.934 60.446 61.300 0.133 0.000 1.188 94 I CB 1.338 39.378 38.000 0.068 0.000 1.342 94 I HN 0.232 nan 8.210 nan 0.000 0.457 95 V N 7.088 127.085 119.914 0.139 0.000 2.444 95 V HA 0.296 4.416 4.120 -0.000 0.000 0.294 95 V C -0.076 176.127 176.094 0.182 0.000 1.022 95 V CA -0.766 61.581 62.300 0.078 0.000 0.850 95 V CB 2.246 34.123 31.823 0.089 0.000 0.992 95 V HN 0.478 nan 8.190 nan 0.000 0.426 96 V N 4.870 124.878 119.914 0.156 0.000 2.607 96 V HA 0.893 5.013 4.120 -0.000 0.000 0.289 96 V C 0.625 176.912 176.094 0.320 0.000 1.053 96 V CA 0.619 63.078 62.300 0.266 0.000 0.996 96 V CB 1.432 33.383 31.823 0.213 0.000 0.995 96 V HN 1.015 nan 8.190 nan 0.000 0.476 97 G N 2.785 111.748 108.800 0.271 0.000 2.658 97 G HA2 0.449 4.409 3.960 -0.000 0.000 0.292 97 G HA3 0.449 4.409 3.960 -0.000 0.000 0.292 97 G C -0.471 174.527 174.900 0.162 0.000 1.320 97 G CA -0.482 44.745 45.100 0.213 0.000 0.933 97 G HN 0.634 nan 8.290 nan 0.000 0.476 98 T N 1.600 116.219 114.554 0.109 0.000 3.462 98 T HA 0.461 4.811 4.350 -0.000 0.000 0.257 98 T C 1.029 175.785 174.700 0.094 0.000 1.015 98 T CA 1.064 63.215 62.100 0.085 0.000 1.135 98 T CB -0.734 68.160 68.868 0.042 0.000 1.061 98 T HN 1.771 nan 8.240 nan 0.000 0.772 99 G N 2.057 110.927 108.800 0.116 0.000 2.888 99 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.441 99 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.441 99 G C 0.983 175.940 174.900 0.094 0.000 1.461 99 G CA -0.191 44.972 45.100 0.104 0.000 0.897 99 G HN 0.522 nan 8.290 nan 0.000 0.547 100 S N -1.055 114.681 115.700 0.060 0.000 2.447 100 S HA -0.114 4.356 4.470 -0.000 0.000 0.233 100 S C 2.707 177.349 174.600 0.069 0.000 1.006 100 S CA 2.531 60.756 58.200 0.042 0.000 0.957 100 S CB -0.553 62.639 63.200 -0.013 0.000 0.773 100 S HN 2.012 nan 8.310 nan 0.000 0.507 101 T N -0.622 113.977 114.554 0.076 0.000 2.777 101 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 101 T C 1.864 176.612 174.700 0.081 0.000 1.040 101 T CA 1.491 63.637 62.100 0.077 0.000 1.141 101 T CB -0.606 68.291 68.868 0.049 0.000 0.868 101 T HN 0.519 nan 8.240 nan 0.000 0.444 102 Q N -0.367 119.494 119.800 0.100 0.000 2.079 102 Q HA -0.044 4.296 4.340 -0.000 0.000 0.200 102 Q C 2.281 178.371 176.000 0.151 0.000 0.974 102 Q CA 1.024 56.918 55.803 0.152 0.000 0.840 102 Q CB -0.167 28.660 28.738 0.148 0.000 0.898 102 Q HN 0.406 nan 8.270 nan 0.000 0.430 103 L N 0.361 121.655 121.223 0.118 0.000 2.013 103 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 103 L C 2.573 179.454 176.870 0.019 0.000 1.073 103 L CA 1.481 56.375 54.840 0.090 0.000 0.753 103 L CB -1.463 40.657 42.059 0.100 0.000 0.890 103 L HN 0.439 nan 8.230 nan 0.000 0.432 104 C N -0.881 118.429 119.300 0.017 0.000 2.435 104 C HA -0.159 4.301 4.460 -0.000 0.000 0.279 104 C C 2.834 177.757 174.990 -0.112 0.000 1.321 104 C CA 0.615 59.614 59.018 -0.032 0.000 1.752 104 C CB -0.587 27.186 27.740 0.054 0.000 1.959 104 C HN 0.563 nan 8.230 nan 0.000 0.500 105 Q N -0.037 119.709 119.800 -0.090 0.000 2.172 105 Q HA -0.039 4.301 4.340 -0.000 0.000 0.200 105 Q C 2.462 178.160 176.000 -0.503 0.000 0.964 105 Q CA 1.463 57.153 55.803 -0.189 0.000 0.855 105 Q CB -0.234 28.515 28.738 0.018 0.000 0.918 105 Q HN 0.763 nan 8.270 nan 0.000 0.444 106 A N 1.146 123.675 122.820 -0.486 0.000 1.902 106 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 106 A C 2.269 179.693 177.584 -0.266 0.000 1.181 106 A CA 1.599 53.294 52.037 -0.570 0.000 0.623 106 A CB -0.696 18.278 19.000 -0.043 0.000 0.818 106 A HN 0.385 nan 8.150 nan 0.000 0.443 107 A N -0.624 122.100 122.820 -0.161 0.000 1.898 107 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 107 A C 2.238 179.734 177.584 -0.146 0.000 1.181 107 A CA 1.681 53.651 52.037 -0.112 0.000 0.620 107 A CB -0.953 17.991 19.000 -0.094 0.000 0.819 107 A HN 0.357 nan 8.150 nan 0.000 0.442 108 V N -0.094 119.691 119.914 -0.215 0.000 2.255 108 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 108 V C 2.556 178.554 176.094 -0.161 0.000 1.051 108 V CA 2.271 64.417 62.300 -0.257 0.000 1.018 108 V CB -1.005 30.557 31.823 -0.435 0.000 0.641 108 V HN 0.775 nan 8.190 nan 0.000 0.445 109 H N 0.331 119.248 119.070 -0.255 0.000 2.353 109 H HA -0.192 4.364 4.556 -0.000 0.000 0.298 109 H C 2.212 177.508 175.328 -0.054 0.000 1.103 109 H CA 2.169 58.154 56.048 -0.105 0.000 1.293 109 H CB 0.054 29.619 29.762 -0.328 0.000 1.372 109 H HN 0.421 nan 8.280 nan 0.000 0.501 110 A N 0.845 123.691 122.820 0.044 0.000 1.872 110 A HA -0.037 4.283 4.320 -0.000 0.000 0.214 110 A C 2.864 180.439 177.584 -0.014 0.000 1.187 110 A CA 0.990 53.057 52.037 0.050 0.000 0.614 110 A CB -0.788 18.234 19.000 0.038 0.000 0.826 110 A HN 0.383 nan 8.150 nan 0.000 0.442 111 L N -0.132 121.062 121.223 -0.047 0.000 2.131 111 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 111 L C 2.727 179.562 176.870 -0.058 0.000 1.092 111 L CA 1.367 56.170 54.840 -0.062 0.000 0.759 111 L CB -0.452 41.550 42.059 -0.095 0.000 0.903 111 L HN 0.286 nan 8.230 nan 0.000 0.435 112 S N -0.808 114.860 115.700 -0.054 0.000 2.383 112 S HA -0.140 4.330 4.470 -0.000 0.000 0.227 112 S C 2.233 176.794 174.600 -0.066 0.000 1.026 112 S CA 1.374 59.552 58.200 -0.036 0.000 0.981 112 S CB -0.088 63.133 63.200 0.034 0.000 0.818 112 S HN 0.334 nan 8.310 nan 0.000 0.472 113 S N 1.393 117.036 115.700 -0.096 0.000 2.383 113 S HA 0.136 4.606 4.470 -0.000 0.000 0.227 113 S C 1.587 176.168 174.600 -0.033 0.000 1.026 113 S CA 0.746 58.900 58.200 -0.077 0.000 0.981 113 S CB -0.205 62.961 63.200 -0.057 0.000 0.818 113 S HN 0.370 nan 8.310 nan 0.000 0.472 114 L N 0.914 122.122 121.223 -0.026 0.000 2.509 114 L HA 0.247 4.587 4.340 -0.000 0.000 0.222 114 L C 1.147 178.003 176.870 -0.022 0.000 1.123 114 L CA -0.309 54.520 54.840 -0.017 0.000 0.856 114 L CB -0.469 41.582 42.059 -0.013 0.000 0.985 114 L HN 0.160 nan 8.230 nan 0.000 0.456 115 A N 0.927 123.729 122.820 -0.030 0.000 2.429 115 A HA 0.107 4.427 4.320 -0.000 0.000 0.242 115 A C 1.454 179.027 177.584 -0.018 0.000 1.088 115 A CA -0.147 51.873 52.037 -0.027 0.000 0.784 115 A CB 0.214 19.197 19.000 -0.028 0.000 1.038 115 A HN 0.424 nan 8.150 nan 0.000 0.501 116 R N -0.098 120.395 120.500 -0.012 0.000 2.280 116 R HA 0.113 4.453 4.340 -0.000 0.000 0.195 116 R C 0.264 176.561 176.300 -0.005 0.000 0.935 116 R CA 0.968 57.063 56.100 -0.007 0.000 1.033 116 R CB -0.327 29.971 30.300 -0.003 0.000 0.964 116 R HN 0.751 nan 8.270 nan 0.000 0.489 117 S N 0.093 115.790 115.700 -0.005 0.000 2.556 117 S HA 0.416 4.886 4.470 -0.000 0.000 0.271 117 S C -1.464 173.133 174.600 -0.005 0.000 1.135 117 S CA -0.860 57.338 58.200 -0.003 0.000 0.858 117 S CB 2.497 65.700 63.200 0.006 0.000 1.114 117 S HN 0.249 nan 8.310 nan 0.000 0.468 118 Q N 1.534 121.327 119.800 -0.012 0.000 2.397 118 Q HA 0.589 4.929 4.340 -0.000 0.000 0.275 118 Q C -2.734 173.256 176.000 -0.017 0.000 1.090 118 Q CA -2.056 53.735 55.803 -0.020 0.000 0.809 118 Q CB 1.918 30.629 28.738 -0.046 0.000 1.362 118 Q HN 0.661 nan 8.270 nan 0.000 0.431 119 P HA 0.151 nan 4.420 nan 0.000 0.280 119 P C -0.537 176.783 177.300 0.032 0.000 1.244 119 P CA -0.320 62.775 63.100 -0.009 0.000 0.784 119 P CB 0.770 32.463 31.700 -0.012 0.000 0.913 120 V N 2.134 122.077 119.914 0.049 0.000 2.811 120 V HA 0.057 4.177 4.120 -0.000 0.000 0.302 120 V C 1.053 177.194 176.094 0.078 0.000 1.063 120 V CA 0.062 62.399 62.300 0.060 0.000 1.088 120 V CB 0.684 32.534 31.823 0.044 0.000 0.982 120 V HN 0.619 nan 8.190 nan 0.000 0.485 121 S N 2.521 118.260 115.700 0.065 0.000 2.545 121 S HA 0.490 4.960 4.470 -0.000 0.000 0.275 121 S C -0.336 174.200 174.600 -0.106 0.000 1.299 121 S CA -0.460 57.737 58.200 -0.004 0.000 1.048 121 S CB 1.165 64.373 63.200 0.013 0.000 0.938 121 S HN 0.488 nan 8.310 nan 0.000 0.496 122 V N 4.641 124.468 119.914 -0.145 0.000 2.444 122 V HA 0.670 4.790 4.120 -0.000 0.000 0.294 122 V C -0.231 175.593 176.094 -0.450 0.000 1.022 122 V CA -0.702 61.490 62.300 -0.180 0.000 0.850 122 V CB 1.275 33.096 31.823 -0.004 0.000 0.992 122 V HN 0.724 nan 8.190 nan 0.000 0.426 123 V N 1.533 121.147 119.914 -0.500 0.000 3.007 123 V HA 1.086 5.206 4.120 -0.000 0.000 0.311 123 V C -0.391 175.453 176.094 -0.418 0.000 1.120 123 V CA -0.810 61.089 62.300 -0.669 0.000 0.980 123 V CB 1.881 33.271 31.823 -0.721 0.000 1.033 123 V HN 1.285 nan 8.190 nan 0.000 0.429 124 A N 2.182 124.798 122.820 -0.341 0.000 2.486 124 A HA 0.970 5.290 4.320 -0.000 0.000 0.300 124 A C -0.004 177.586 177.584 0.009 0.000 1.048 124 A CA -0.374 51.603 52.037 -0.101 0.000 0.696 124 A CB 1.589 20.657 19.000 0.114 0.000 1.278 124 A HN 2.486 nan 8.150 nan 0.000 0.405 125 A N 1.388 124.187 122.820 -0.034 0.000 2.522 125 A HA 0.538 4.858 4.320 -0.000 0.000 0.256 125 A C 0.886 178.598 177.584 0.213 0.000 1.086 125 A CA 0.482 52.507 52.037 -0.020 0.000 0.763 125 A CB -0.550 18.337 19.000 -0.190 0.000 1.024 125 A HN 2.286 nan 8.150 nan 0.000 0.502 126 A N 5.157 128.155 122.820 0.296 0.000 2.483 126 A HA 0.528 4.848 4.320 -0.000 0.000 0.238 126 A C -1.791 175.860 177.584 0.111 0.000 1.070 126 A CA -1.013 51.146 52.037 0.203 0.000 0.770 126 A CB -0.406 18.703 19.000 0.182 0.000 1.008 126 A HN 0.739 nan 8.150 nan 0.000 0.497 127 P HA 0.300 nan 4.420 nan 0.000 0.271 127 P C -0.821 176.362 177.300 -0.194 0.000 1.226 127 P CA 0.213 63.154 63.100 -0.266 0.000 0.765 127 P CB 0.159 31.580 31.700 -0.466 0.000 0.835 128 F N 1.559 121.509 119.950 -0.000 0.000 2.450 128 F HA 0.473 5.000 4.527 -0.000 0.000 0.328 128 F C -0.053 175.766 175.800 0.031 0.000 1.068 128 F CA -2.209 55.837 58.000 0.078 0.000 1.007 128 F CB -0.045 39.103 39.000 0.246 0.000 1.251 128 F HN 0.200 nan 8.300 nan 0.000 0.492 129 Y N 2.627 123.039 120.300 0.186 0.000 2.650 129 Y HA 0.180 4.730 4.550 -0.000 0.000 0.342 129 Y C 1.711 177.576 175.900 -0.058 0.000 1.110 129 Y CA -0.424 57.596 58.100 -0.134 0.000 1.438 129 Y CB 0.277 38.445 38.460 -0.488 0.000 1.181 129 Y HN 0.838 nan 8.280 nan 0.000 0.526 130 S N 2.008 117.621 115.700 -0.146 0.000 2.372 130 S HA -0.280 4.190 4.470 -0.000 0.000 0.227 130 S C 1.734 176.063 174.600 -0.452 0.000 1.044 130 S CA 2.079 60.186 58.200 -0.154 0.000 1.050 130 S CB -1.063 62.062 63.200 -0.124 0.000 0.901 130 S HN 0.762 nan 8.310 nan 0.000 0.447 131 T N 0.996 115.020 114.554 -0.882 0.000 2.869 131 T HA -0.108 4.242 4.350 -0.000 0.000 0.270 131 T C 1.313 175.606 174.700 -0.679 0.000 1.082 131 T CA 1.587 63.188 62.100 -0.833 0.000 1.123 131 T CB -0.636 67.660 68.868 -0.954 0.000 0.856 131 T HN 0.493 nan 8.240 nan 0.000 0.499 132 Y N 1.296 121.171 120.300 -0.708 0.000 2.207 132 Y HA -0.122 4.428 4.550 -0.000 0.000 0.287 132 Y C 2.553 177.937 175.900 -0.860 0.000 1.156 132 Y CA -0.426 57.308 58.100 -0.611 0.000 1.182 132 Y CB -1.390 36.769 38.460 -0.501 0.000 0.979 132 Y HN 0.089 nan 8.280 nan 0.000 0.521 133 V N 0.922 120.354 119.914 -0.804 0.000 2.214 133 V HA -0.323 3.797 4.120 -0.000 0.000 0.245 133 V C 2.228 177.995 176.094 -0.545 0.000 1.047 133 V CA 2.362 64.055 62.300 -1.011 0.000 0.998 133 V CB -1.002 30.453 31.823 -0.613 0.000 0.633 133 V HN 0.430 nan 8.190 nan 0.000 0.446 134 E N 0.546 120.547 120.200 -0.332 0.000 2.058 134 E HA -0.318 4.032 4.350 -0.000 0.000 0.194 134 E C 2.082 178.610 176.600 -0.119 0.000 0.997 134 E CA 1.765 58.056 56.400 -0.181 0.000 0.801 134 E CB -0.534 29.049 29.700 -0.195 0.000 0.746 134 E HN 0.697 nan 8.360 nan 0.000 0.450 135 E N 0.382 120.449 120.200 -0.222 0.000 2.147 135 E HA -0.177 4.173 4.350 -0.000 0.000 0.199 135 E C 1.870 178.521 176.600 0.086 0.000 1.005 135 E CA 1.975 58.300 56.400 -0.125 0.000 0.810 135 E CB -0.126 29.497 29.700 -0.130 0.000 0.736 135 E HN 0.477 nan 8.360 nan 0.000 0.460 136 T N -3.513 111.020 114.554 -0.035 0.000 3.163 136 T HA 0.172 4.522 4.350 -0.000 0.000 0.252 136 T C 1.255 176.114 174.700 0.266 0.000 1.056 136 T CA 0.143 62.280 62.100 0.061 0.000 0.947 136 T CB 0.792 69.634 68.868 -0.044 0.000 1.016 136 T HN -0.113 nan 8.240 nan 0.000 0.554 137 T N 0.441 115.122 114.554 0.213 0.000 3.075 137 T HA 0.168 4.518 4.350 -0.000 0.000 0.251 137 T C 1.325 176.155 174.700 0.216 0.000 0.979 137 T CA 0.163 62.371 62.100 0.180 0.000 1.033 137 T CB -0.234 68.668 68.868 0.057 0.000 1.104 137 T HN 0.639 nan 8.240 nan 0.000 0.473 138 Y N 1.996 122.322 120.300 0.043 0.000 2.274 138 Y HA 0.020 4.570 4.550 -0.000 0.000 0.290 138 Y C 1.942 177.872 175.900 0.049 0.000 1.145 138 Y CA 0.847 58.967 58.100 0.034 0.000 1.203 138 Y CB -0.547 37.924 38.460 0.018 0.000 0.984 138 Y HN 0.096 nan 8.280 nan 0.000 0.533 139 V N -0.907 118.740 119.914 -0.444 0.000 3.596 139 V HA 0.322 4.442 4.120 -0.000 0.000 0.289 139 V C 0.635 176.631 176.094 -0.164 0.000 1.336 139 V CA -0.346 61.715 62.300 -0.398 0.000 1.137 139 V CB -1.014 30.514 31.823 -0.491 0.000 0.966 139 V HN 0.438 nan 8.190 nan 0.000 0.428 140 R N 0.644 121.094 120.500 -0.084 0.000 3.127 140 R HA -0.154 4.186 4.340 -0.000 0.000 0.247 140 R C 0.347 176.579 176.300 -0.114 0.000 0.896 140 R CA 0.873 56.936 56.100 -0.061 0.000 0.624 140 R CB -2.084 28.192 30.300 -0.041 0.000 1.154 140 R HN 0.666 nan 8.270 nan 0.000 0.474 141 S N -0.731 114.853 115.700 -0.193 0.000 2.537 141 S HA 0.409 4.879 4.470 -0.000 0.000 0.275 141 S C 1.473 175.855 174.600 -0.363 0.000 1.272 141 S CA 0.060 58.056 58.200 -0.341 0.000 1.050 141 S CB 1.445 64.259 63.200 -0.644 0.000 0.961 141 S HN 0.497 nan 8.310 nan 0.000 0.496 142 G N 3.742 112.384 108.800 -0.263 0.000 3.088 142 G HA2 0.087 4.047 3.960 -0.000 0.000 0.212 142 G HA3 0.087 4.047 3.960 -0.000 0.000 0.212 142 G C 0.984 175.755 174.900 -0.216 0.000 1.173 142 G CA 0.074 45.058 45.100 -0.194 0.000 0.779 142 G HN 0.801 nan 8.290 nan 0.000 0.540 143 M N -1.128 118.258 119.600 -0.356 0.000 2.421 143 M HA 0.382 4.862 4.480 -0.000 0.000 0.258 143 M C 0.089 176.302 176.300 -0.145 0.000 1.122 143 M CA -0.145 55.007 55.300 -0.246 0.000 1.078 143 M CB 0.114 32.580 32.600 -0.224 0.000 1.380 143 M HN 0.143 nan 8.290 nan 0.000 0.499 144 Y N -0.379 119.902 120.300 -0.032 0.000 2.581 144 Y HA 0.847 5.397 4.550 -0.000 0.000 0.345 144 Y C -0.997 174.916 175.900 0.021 0.000 1.036 144 Y CA -2.009 56.082 58.100 -0.014 0.000 1.042 144 Y CB 0.963 39.412 38.460 -0.019 0.000 1.289 144 Y HN -0.103 nan 8.280 nan 0.000 0.471 145 K N 2.240 122.782 120.400 0.235 0.000 2.578 145 K HA 0.193 4.513 4.320 -0.000 0.000 0.250 145 K C -1.785 174.928 176.600 0.190 0.000 0.955 145 K CA -0.698 55.699 56.287 0.183 0.000 0.825 145 K CB 1.008 33.560 32.500 0.087 0.000 1.151 145 K HN 0.885 nan 8.250 nan 0.000 0.432 146 W N 6.529 127.867 121.300 0.062 0.000 2.469 146 W HA 0.052 4.712 4.660 -0.000 0.000 0.321 146 W C -0.341 176.165 176.519 -0.021 0.000 1.415 146 W CA 0.264 57.596 57.345 -0.021 0.000 1.308 146 W CB 0.822 30.265 29.460 -0.028 0.000 1.368 146 W HN 0.725 nan 8.180 nan 0.000 0.546 147 E N 3.749 123.491 120.200 -0.763 0.000 2.389 147 E HA 0.167 4.517 4.350 -0.000 0.000 0.199 147 E C 1.486 177.574 176.600 -0.852 0.000 0.978 147 E CA 0.950 56.987 56.400 -0.604 0.000 0.912 147 E CB 0.552 30.080 29.700 -0.287 0.000 0.907 147 E HN 0.852 nan 8.360 nan 0.000 0.494 148 G N 1.822 109.586 108.800 -1.727 0.000 2.826 148 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.233 148 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.233 148 G C -0.504 174.040 174.900 -0.593 0.000 1.296 148 G CA -0.064 44.377 45.100 -1.099 0.000 1.001 148 G HN 0.252 nan 8.290 nan 0.000 0.576 149 D N 1.896 122.234 120.400 -0.103 0.000 2.350 149 D HA 0.653 5.293 4.640 -0.000 0.000 0.249 149 D C 1.347 177.621 176.300 -0.044 0.000 1.119 149 D CA 0.815 54.850 54.000 0.059 0.000 0.886 149 D CB 1.254 42.181 40.800 0.211 0.000 1.195 149 D HN 0.916 nan 8.370 nan 0.000 0.437 150 A N 3.493 126.252 122.820 -0.101 0.000 1.975 150 A HA -0.058 4.262 4.320 -0.000 0.000 0.215 150 A C 2.005 179.531 177.584 -0.097 0.000 1.170 150 A CA 0.278 52.194 52.037 -0.202 0.000 0.656 150 A CB -0.721 18.067 19.000 -0.353 0.000 0.821 150 A HN 0.808 nan 8.150 nan 0.000 0.449 151 W N -0.090 121.221 121.300 0.019 0.000 2.364 151 W HA -0.048 4.612 4.660 0.000 0.000 0.281 151 W C 2.176 178.707 176.519 0.021 0.000 1.219 151 W CA 0.696 58.055 57.345 0.022 0.000 1.220 151 W CB 0.101 29.577 29.460 0.026 0.000 1.127 151 W HN 0.433 nan 8.180 nan 0.000 0.556 152 G N -1.578 107.370 108.800 0.246 0.000 3.042 152 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.212 152 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.212 152 G C -0.428 174.528 174.900 0.093 0.000 1.166 152 G CA -0.545 44.642 45.100 0.144 0.000 0.767 152 G HN 0.091 nan 8.290 nan 0.000 0.546 153 F N 2.110 122.014 119.950 -0.076 0.000 2.404 153 F HA 0.410 4.937 4.527 -0.000 0.000 0.358 153 F C 0.619 176.324 175.800 -0.159 0.000 1.120 153 F CA -1.131 56.773 58.000 -0.160 0.000 1.144 153 F CB 1.349 40.189 39.000 -0.267 0.000 1.133 153 F HN 0.216 nan 8.300 nan 0.000 0.495 154 D N 2.237 122.190 120.400 -0.746 0.000 2.514 154 D HA 0.073 4.713 4.640 -0.000 0.000 0.225 154 D C 0.000 175.851 176.300 -0.749 0.000 1.159 154 D CA -0.427 53.234 54.000 -0.565 0.000 0.823 154 D CB -0.070 40.564 40.800 -0.277 0.000 1.097 154 D HN 0.305 nan 8.370 nan 0.000 0.519 155 K N 2.002 121.680 120.400 -1.203 0.000 2.430 155 K HA 0.012 4.332 4.320 -0.000 0.000 0.280 155 K C -0.293 175.980 176.600 -0.545 0.000 1.063 155 K CA -0.113 55.693 56.287 -0.802 0.000 1.071 155 K CB 0.400 32.527 32.500 -0.621 0.000 0.899 155 K HN 0.092 nan 8.250 nan 0.000 0.473 156 K N 2.608 122.864 120.400 -0.240 0.000 2.382 156 K HA 0.447 4.767 4.320 -0.000 0.000 0.275 156 K C 0.390 177.003 176.600 0.023 0.000 1.009 156 K CA -0.272 55.968 56.287 -0.079 0.000 0.970 156 K CB 0.947 33.411 32.500 -0.059 0.000 0.934 156 K HN 0.742 nan 8.250 nan 0.000 0.479 157 G N 1.290 110.154 108.800 0.107 0.000 2.423 157 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.684 157 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.684 157 G C -2.887 172.157 174.900 0.240 0.000 1.309 157 G CA -1.369 43.815 45.100 0.140 0.000 0.950 157 G HN 0.469 nan 8.290 nan 0.000 0.587 158 P HA 0.441 nan 4.420 nan 0.000 0.261 158 P C -0.692 176.706 177.300 0.164 0.000 1.183 158 P CA 0.594 63.756 63.100 0.104 0.000 0.761 158 P CB -0.136 31.586 31.700 0.036 0.000 0.785 159 Y N 1.977 122.250 120.300 -0.045 0.000 2.571 159 Y HA 0.694 5.244 4.550 -0.000 0.000 0.341 159 Y C -1.460 174.324 175.900 -0.193 0.000 1.076 159 Y CA -1.651 56.353 58.100 -0.160 0.000 1.029 159 Y CB 1.171 39.441 38.460 -0.317 0.000 1.308 159 Y HN 0.023 nan 8.280 nan 0.000 0.461 160 I N 2.689 123.148 120.570 -0.185 0.000 2.382 160 I HA 0.338 4.508 4.170 -0.000 0.000 0.286 160 I C -0.388 175.607 176.117 -0.204 0.000 1.002 160 I CA -1.023 60.123 61.300 -0.257 0.000 1.135 160 I CB 1.238 39.103 38.000 -0.225 0.000 1.288 160 I HN 0.863 nan 8.210 nan 0.000 0.448 161 E N 6.676 126.749 120.200 -0.212 0.000 2.174 161 E HA 0.461 4.811 4.350 -0.000 0.000 0.282 161 E C -1.167 175.235 176.600 -0.329 0.000 0.992 161 E CA -0.638 55.630 56.400 -0.219 0.000 0.803 161 E CB 1.133 30.759 29.700 -0.125 0.000 1.090 161 E HN 0.491 nan 8.360 nan 0.000 0.396 162 L N 4.933 125.949 121.223 -0.345 0.000 2.261 162 L HA 0.286 4.626 4.340 -0.000 0.000 0.289 162 L C -0.730 175.943 176.870 -0.328 0.000 1.059 162 L CA -0.750 53.840 54.840 -0.417 0.000 0.816 162 L CB 1.072 42.763 42.059 -0.614 0.000 1.191 162 L HN 0.336 nan 8.230 nan 0.000 0.431 163 V N 2.536 122.201 119.914 -0.415 0.000 2.275 163 V HA 0.213 4.333 4.120 -0.000 0.000 0.272 163 V C 0.282 176.196 176.094 -0.301 0.000 1.028 163 V CA -0.437 61.641 62.300 -0.369 0.000 0.810 163 V CB 1.145 32.634 31.823 -0.556 0.000 1.043 163 V HN 0.718 nan 8.190 nan 0.000 0.453 164 T N 3.287 117.777 114.554 -0.108 0.000 2.780 164 T HA 0.478 4.828 4.350 -0.000 0.000 0.294 164 T C 0.129 174.801 174.700 -0.046 0.000 0.949 164 T CA -0.137 61.931 62.100 -0.052 0.000 1.074 164 T CB 1.123 70.044 68.868 0.088 0.000 0.910 164 T HN 0.627 nan 8.240 nan 0.000 0.501 165 S N 3.921 119.595 115.700 -0.042 0.000 2.626 165 S HA 0.482 4.952 4.470 -0.000 0.000 0.275 165 S C -2.986 171.752 174.600 0.230 0.000 1.175 165 S CA -1.398 56.849 58.200 0.079 0.000 0.982 165 S CB 1.086 64.331 63.200 0.075 0.000 1.093 165 S HN 0.263 nan 8.310 nan 0.000 0.472 166 P HA 0.120 nan 4.420 nan 0.000 0.265 166 P C -0.494 176.888 177.300 0.137 0.000 1.187 166 P CA 0.005 63.201 63.100 0.159 0.000 0.766 166 P CB 0.257 32.041 31.700 0.140 0.000 0.820 167 N N 2.411 121.153 118.700 0.070 0.000 2.467 167 N HA 0.100 4.840 4.740 -0.000 0.000 0.262 167 N C -0.435 175.074 175.510 -0.003 0.000 1.234 167 N CA -0.082 52.989 53.050 0.035 0.000 0.952 167 N CB 0.215 38.706 38.487 0.006 0.000 1.158 167 N HN 0.257 nan 8.380 nan 0.000 0.463 168 N N 1.997 120.671 118.700 -0.042 0.000 2.448 168 N HA 0.354 5.094 4.740 -0.000 0.000 0.279 168 N C -2.379 173.023 175.510 -0.179 0.000 1.025 168 N CA -1.856 51.114 53.050 -0.134 0.000 0.898 168 N CB 2.129 40.489 38.487 -0.213 0.000 1.303 168 N HN 0.398 nan 8.380 nan 0.000 0.495 169 P HA 0.080 nan 4.420 nan 0.000 0.224 169 P C 0.371 177.444 177.300 -0.378 0.000 1.159 169 P CA 0.626 63.439 63.100 -0.478 0.000 0.824 169 P CB 0.267 31.494 31.700 -0.788 0.000 0.833 170 D N -0.401 119.646 120.400 -0.588 0.000 2.338 170 D HA 0.081 4.721 4.640 -0.000 0.000 0.239 170 D C 1.481 177.861 176.300 0.133 0.000 1.095 170 D CA 0.452 54.250 54.000 -0.336 0.000 0.888 170 D CB -1.266 39.227 40.800 -0.511 0.000 0.899 170 D HN 0.237 nan 8.370 nan 0.000 0.525 171 G N -0.357 108.500 108.800 0.096 0.000 2.196 171 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.268 171 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.268 171 G C 0.597 175.550 174.900 0.089 0.000 0.975 171 G CA 0.842 45.981 45.100 0.067 0.000 0.648 171 G HN 0.525 nan 8.290 nan 0.000 0.538 172 T N 0.730 115.394 114.554 0.184 0.000 2.855 172 T HA 0.439 4.789 4.350 -0.000 0.000 0.314 172 T C 0.905 175.674 174.700 0.115 0.000 1.077 172 T CA 0.171 62.388 62.100 0.195 0.000 1.095 172 T CB 1.351 70.304 68.868 0.142 0.000 0.987 172 T HN 0.298 nan 8.240 nan 0.000 0.546 173 I N 2.581 123.223 120.570 0.120 0.000 2.312 173 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 173 I C 0.837 177.003 176.117 0.081 0.000 1.031 173 I CA -0.137 61.218 61.300 0.091 0.000 1.293 173 I CB 0.447 38.500 38.000 0.088 0.000 1.403 173 I HN 0.379 nan 8.210 nan 0.000 0.484 174 R N 4.296 124.832 120.500 0.060 0.000 2.892 174 R HA 0.730 5.070 4.340 -0.000 0.000 0.265 174 R C -0.955 175.360 176.300 0.024 0.000 1.025 174 R CA -0.942 55.180 56.100 0.038 0.000 0.982 174 R CB 2.138 32.441 30.300 0.006 0.000 1.185 174 R HN 0.403 nan 8.270 nan 0.000 0.484 175 E N -0.225 119.975 120.200 -0.001 0.000 2.446 175 E HA 0.198 4.548 4.350 -0.000 0.000 0.276 175 E C -1.269 175.279 176.600 -0.087 0.000 0.969 175 E CA -0.518 55.880 56.400 -0.003 0.000 0.800 175 E CB 1.672 31.397 29.700 0.042 0.000 1.341 175 E HN 0.577 nan 8.360 nan 0.000 0.460 176 T N -1.071 113.427 114.554 -0.093 0.000 2.946 176 T HA 0.133 4.483 4.350 -0.000 0.000 0.312 176 T C 1.208 175.791 174.700 -0.196 0.000 1.066 176 T CA 0.268 62.273 62.100 -0.157 0.000 1.138 176 T CB 0.423 69.234 68.868 -0.096 0.000 1.014 176 T HN 0.448 nan 8.240 nan 0.000 0.544 177 V N 1.419 121.125 119.914 -0.347 0.000 2.788 177 V HA 0.304 4.424 4.120 -0.000 0.000 0.241 177 V C 1.333 177.176 176.094 -0.419 0.000 1.083 177 V CA 0.271 62.214 62.300 -0.595 0.000 1.103 177 V CB -0.510 30.450 31.823 -1.438 0.000 0.800 177 V HN 0.738 nan 8.190 nan 0.000 0.476 187 K N 0.590 120.649 120.400 -0.569 0.000 2.221 187 K HA 0.806 5.126 4.320 -0.000 0.000 0.243 187 K C -0.997 175.395 176.600 -0.347 0.000 0.968 187 K CA -0.788 55.295 56.287 -0.340 0.000 0.846 187 K CB 2.651 35.007 32.500 -0.240 0.000 1.141 187 K HN 0.983 nan 8.250 nan 0.000 0.434 188 V N 2.923 122.692 119.914 -0.242 0.000 2.733 188 V HA 0.460 4.580 4.120 -0.000 0.000 0.306 188 V C -1.499 174.434 176.094 -0.270 0.000 1.084 188 V CA -0.878 61.249 62.300 -0.287 0.000 0.905 188 V CB 1.684 33.339 31.823 -0.281 0.000 1.010 188 V HN 0.553 nan 8.190 nan 0.000 0.424 189 I N 6.122 126.470 120.570 -0.371 0.000 2.404 189 I HA 0.534 4.704 4.170 -0.000 0.000 0.293 189 I C -0.320 175.475 176.117 -0.537 0.000 0.992 189 I CA -0.414 60.692 61.300 -0.324 0.000 1.149 189 I CB 1.589 39.412 38.000 -0.296 0.000 1.315 189 I HN 0.637 nan 8.210 nan 0.000 0.446 190 H N 4.152 122.983 119.070 -0.399 0.000 2.541 190 H HA 0.218 4.774 4.556 -0.000 0.000 0.316 190 H C -0.850 174.010 175.328 -0.780 0.000 1.043 190 H CA -0.474 55.159 56.048 -0.691 0.000 1.232 190 H CB 2.200 31.419 29.762 -0.905 0.000 1.406 190 H HN 0.444 nan 8.280 nan 0.000 0.469 191 D N 3.965 123.994 120.400 -0.618 0.000 2.467 191 D HA 0.062 4.702 4.640 -0.000 0.000 0.220 191 D C -0.327 175.664 176.300 -0.515 0.000 1.103 191 D CA -0.520 53.211 54.000 -0.447 0.000 0.886 191 D CB -0.030 40.676 40.800 -0.156 0.000 1.025 191 D HN 0.322 nan 8.370 nan 0.000 0.514 192 F N 2.178 121.860 119.950 -0.446 0.000 2.798 192 F HA 0.293 4.820 4.527 -0.000 0.000 0.291 192 F C 2.006 177.609 175.800 -0.329 0.000 1.174 192 F CA -0.566 57.153 58.000 -0.469 0.000 1.392 192 F CB -0.382 38.129 39.000 -0.815 0.000 0.966 192 F HN 0.442 nan 8.300 nan 0.000 0.509 193 A N -0.286 122.431 122.820 -0.173 0.000 1.929 193 A HA -0.277 4.043 4.320 -0.000 0.000 0.221 193 A C 1.352 178.869 177.584 -0.110 0.000 1.211 193 A CA 2.136 54.017 52.037 -0.260 0.000 0.657 193 A CB -1.088 17.545 19.000 -0.611 0.000 0.827 193 A HN 0.495 nan 8.150 nan 0.000 0.462 194 Y N -3.605 116.880 120.300 0.308 0.000 2.524 194 Y HA 0.252 4.802 4.550 -0.000 0.000 0.266 194 Y C 0.486 176.733 175.900 0.578 0.000 1.180 194 Y CA -0.869 57.464 58.100 0.388 0.000 1.244 194 Y CB -0.276 38.167 38.460 -0.029 0.000 1.125 194 Y HN 0.385 nan 8.280 nan 0.000 0.524 195 Y N 0.895 121.423 120.300 0.380 0.000 2.623 195 Y HA 0.221 4.771 4.550 -0.000 0.000 0.341 195 Y C -1.196 174.499 175.900 -0.343 0.000 1.292 195 Y CA -1.327 56.806 58.100 0.053 0.000 1.840 195 Y CB -0.917 37.486 38.460 -0.095 0.000 1.865 195 Y HN 0.093 nan 8.280 nan 0.000 0.440 196 W N 4.157 125.545 121.300 0.146 0.000 3.031 196 W HA 0.368 5.028 4.660 -0.000 0.000 0.337 196 W C -1.681 174.780 176.519 -0.097 0.000 1.187 196 W CA -2.188 55.145 57.345 -0.021 0.000 1.166 196 W CB 0.915 30.610 29.460 0.391 0.000 1.437 196 W HN 0.058 nan 8.180 nan 0.000 0.551 197 P HA -0.275 nan 4.420 nan 0.000 0.217 197 P C 1.327 178.798 177.300 0.284 0.000 1.148 197 P CA 2.131 65.172 63.100 -0.098 0.000 0.834 197 P CB 0.022 31.357 31.700 -0.609 0.000 0.783 198 H N -3.319 115.796 119.070 0.076 0.000 2.547 198 H HA 0.019 4.575 4.556 -0.000 0.000 0.272 198 H C 0.884 176.132 175.328 -0.135 0.000 0.989 198 H CA 0.898 56.939 56.048 -0.012 0.000 1.214 198 H CB -1.069 28.629 29.762 -0.106 0.000 1.389 198 H HN 0.234 nan 8.280 nan 0.000 0.577 199 Y N 0.408 120.761 120.300 0.087 0.000 2.483 199 Y HA 0.331 4.881 4.550 -0.000 0.000 0.258 199 Y C 0.648 176.522 175.900 -0.043 0.000 1.083 199 Y CA 0.190 58.290 58.100 -0.000 0.000 1.283 199 Y CB 0.782 39.246 38.460 0.005 0.000 1.178 199 Y HN 0.206 nan 8.280 nan 0.000 0.515 200 T N 1.275 115.899 114.554 0.118 0.000 3.225 200 T HA 0.280 4.630 4.350 -0.000 0.000 0.356 200 T C -3.187 171.528 174.700 0.025 0.000 1.460 200 T CA -1.562 60.562 62.100 0.039 0.000 1.126 200 T CB 1.331 70.270 68.868 0.117 0.000 1.321 200 T HN -0.359 nan 8.240 nan 0.000 0.478 201 P HA 0.165 nan 4.420 nan 0.000 0.264 201 P C -0.259 177.042 177.300 0.002 0.000 1.183 201 P CA -0.323 62.780 63.100 0.005 0.000 0.763 201 P CB 0.186 31.885 31.700 -0.002 0.000 0.807 202 I N 4.059 124.585 120.570 -0.072 0.000 2.260 202 I HA 0.017 4.187 4.170 -0.000 0.000 0.297 202 I C 1.936 178.077 176.117 0.040 0.000 1.143 202 I CA 0.346 61.573 61.300 -0.122 0.000 1.271 202 I CB -0.708 37.114 38.000 -0.295 0.000 1.461 202 I HN 0.412 nan 8.210 nan 0.000 0.530 203 T N 3.544 118.186 114.554 0.148 0.000 2.978 203 T HA 0.033 4.383 4.350 -0.000 0.000 0.262 203 T C 0.857 175.636 174.700 0.132 0.000 1.063 203 T CA 0.198 62.390 62.100 0.153 0.000 1.140 203 T CB 0.246 69.202 68.868 0.147 0.000 0.886 203 T HN 0.621 nan 8.240 nan 0.000 0.470 204 R N -0.110 120.479 120.500 0.148 0.000 2.651 204 R HA 0.535 4.875 4.340 -0.000 0.000 0.278 204 R C -1.085 175.253 176.300 0.064 0.000 1.010 204 R CA -1.045 55.101 56.100 0.076 0.000 0.896 204 R CB 1.361 31.675 30.300 0.023 0.000 1.211 204 R HN 0.002 nan 8.270 nan 0.000 0.456 205 R N 2.858 123.362 120.500 0.005 0.000 2.387 205 R HA 0.030 4.370 4.340 -0.000 0.000 0.321 205 R C -0.377 175.878 176.300 -0.075 0.000 1.174 205 R CA -0.093 55.988 56.100 -0.031 0.000 1.002 205 R CB 0.494 30.771 30.300 -0.037 0.000 1.028 205 R HN 0.509 nan 8.270 nan 0.000 0.482 206 Q N 2.001 121.741 119.800 -0.099 0.000 2.349 206 Q HA -0.052 4.288 4.340 -0.000 0.000 0.287 206 Q C -0.338 175.586 176.000 -0.127 0.000 1.044 206 Q CA 0.736 56.441 55.803 -0.164 0.000 0.918 206 Q CB 0.965 29.507 28.738 -0.327 0.000 1.242 206 Q HN 0.537 nan 8.270 nan 0.000 0.405 207 D N 0.892 121.142 120.400 -0.249 0.000 3.216 207 D HA 0.102 4.742 4.640 -0.000 0.000 0.348 207 D C -0.619 175.514 176.300 -0.279 0.000 1.407 207 D CA -0.133 53.745 54.000 -0.204 0.000 0.744 207 D CB 0.140 40.827 40.800 -0.188 0.000 1.264 207 D HN 0.406 nan 8.370 nan 0.000 0.543 208 H N -0.572 118.465 119.070 -0.055 0.000 2.497 208 H HA 0.210 4.766 4.556 -0.000 0.000 0.331 208 H C 0.472 175.799 175.328 -0.001 0.000 1.457 208 H CA -0.417 55.574 56.048 -0.095 0.000 1.459 208 H CB 1.002 30.538 29.762 -0.376 0.000 1.728 208 H HN -0.020 nan 8.280 nan 0.000 0.691 209 D N -0.040 120.471 120.400 0.186 0.000 2.149 209 D HA 0.071 4.711 4.640 -0.000 0.000 0.201 209 D C 0.236 176.613 176.300 0.127 0.000 0.972 209 D CA 1.262 55.337 54.000 0.125 0.000 0.835 209 D CB 0.323 41.181 40.800 0.097 0.000 0.966 209 D HN 0.287 nan 8.370 nan 0.000 0.476 210 I N 0.741 121.402 120.570 0.152 0.000 2.503 210 I HA 0.229 4.399 4.170 -0.000 0.000 0.282 210 I C -0.961 175.234 176.117 0.129 0.000 1.059 210 I CA -0.223 61.146 61.300 0.115 0.000 1.081 210 I CB 1.541 39.565 38.000 0.040 0.000 1.210 210 I HN -0.294 nan 8.210 nan 0.000 0.450 211 M N 7.153 126.860 119.600 0.178 0.000 2.181 211 M HA 0.533 5.013 4.480 -0.000 0.000 0.323 211 M C -0.967 175.430 176.300 0.161 0.000 1.004 211 M CA -0.509 54.905 55.300 0.190 0.000 0.941 211 M CB 1.967 34.849 32.600 0.469 0.000 1.579 211 M HN 0.314 nan 8.290 nan 0.000 0.427 212 L N 3.725 124.901 121.223 -0.079 0.000 2.275 212 L HA 0.613 4.953 4.340 -0.000 0.000 0.288 212 L C -1.119 175.564 176.870 -0.312 0.000 1.046 212 L CA -0.306 54.477 54.840 -0.095 0.000 0.805 212 L CB 0.668 42.656 42.059 -0.118 0.000 1.193 212 L HN 0.566 nan 8.230 nan 0.000 0.426 213 F N 0.614 120.438 119.950 -0.211 0.000 2.532 213 F HA 0.481 5.008 4.527 -0.000 0.000 0.321 213 F C 0.442 175.877 175.800 -0.608 0.000 1.089 213 F CA -0.522 57.247 58.000 -0.385 0.000 0.926 213 F CB 2.393 41.046 39.000 -0.579 0.000 1.168 213 F HN 0.240 nan 8.300 nan 0.000 0.459 214 T N 3.275 117.701 114.554 -0.214 0.000 2.824 214 T HA 0.239 4.589 4.350 -0.000 0.000 0.282 214 T C 0.538 175.187 174.700 -0.085 0.000 0.993 214 T CA -0.399 61.591 62.100 -0.184 0.000 0.967 214 T CB 0.544 69.348 68.868 -0.106 0.000 0.960 214 T HN 0.588 nan 8.240 nan 0.000 0.441 215 F N 3.646 123.507 119.950 -0.148 0.000 2.234 215 F HA 0.067 4.594 4.527 -0.000 0.000 0.299 215 F C 1.504 177.306 175.800 0.002 0.000 1.087 215 F CA 0.251 58.251 58.000 -0.001 0.000 1.340 215 F CB 0.184 39.266 39.000 0.135 0.000 1.031 215 F HN 0.501 nan 8.300 nan 0.000 0.500 219 T N -1.056 113.338 114.554 -0.268 0.000 3.023 219 T HA 0.464 4.814 4.350 -0.000 0.000 0.253 219 T C 1.480 176.117 174.700 -0.105 0.000 1.038 219 T CA 0.979 62.890 62.100 -0.315 0.000 0.962 219 T CB 0.700 69.409 68.868 -0.265 0.000 1.018 219 T HN 1.033 nan 8.240 nan 0.000 0.521 220 G N 1.540 110.318 108.800 -0.037 0.000 2.143 220 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.249 220 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.249 220 G C -0.116 174.636 174.900 -0.247 0.000 0.981 220 G CA 0.121 45.278 45.100 0.095 0.000 0.665 220 G HN 0.711 nan 8.290 nan 0.000 0.528 221 H N 0.351 119.137 119.070 -0.474 0.000 2.966 221 H HA 0.566 5.122 4.556 -0.000 0.000 0.217 221 H C 1.793 176.898 175.328 -0.372 0.000 1.906 221 H CA 0.681 56.399 56.048 -0.550 0.000 1.351 221 H CB 0.346 29.512 29.762 -0.994 0.000 1.722 221 H HN 0.437 nan 8.280 nan 0.000 0.562 222 A N 1.035 123.781 122.820 -0.124 0.000 1.929 222 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 222 A C 2.623 180.209 177.584 0.004 0.000 1.176 222 A CA 1.212 53.228 52.037 -0.036 0.000 0.628 222 A CB -0.638 18.361 19.000 -0.003 0.000 0.816 222 A HN 0.658 nan 8.150 nan 0.000 0.444 223 G N -0.676 108.122 108.800 -0.004 0.000 2.498 223 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.219 223 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.219 223 G C 1.543 176.480 174.900 0.063 0.000 1.119 223 G CA 1.155 46.268 45.100 0.022 0.000 0.766 223 G HN 0.484 nan 8.290 nan 0.000 0.552 224 S N 0.345 116.110 115.700 0.109 0.000 2.453 224 S HA 0.020 4.489 4.470 -0.000 0.000 0.231 224 S C 0.896 175.594 174.600 0.164 0.000 1.005 224 S CA 0.034 58.343 58.200 0.181 0.000 0.949 224 S CB 0.011 63.437 63.200 0.377 0.000 0.774 224 S HN 0.395 nan 8.310 nan 0.000 0.510 225 R N 0.837 121.423 120.500 0.144 0.000 2.992 225 R HA -0.125 4.215 4.340 -0.000 0.000 0.263 225 R C -1.111 175.288 176.300 0.164 0.000 0.902 225 R CA 0.462 56.638 56.100 0.126 0.000 0.667 225 R CB -2.383 27.966 30.300 0.081 0.000 1.504 225 R HN 0.306 nan 8.270 nan 0.000 0.489 226 I N -0.486 120.224 120.570 0.232 0.000 2.680 226 I HA 0.615 4.785 4.170 -0.000 0.000 0.291 226 I C 0.770 177.060 176.117 0.289 0.000 1.244 226 I CA -0.275 61.181 61.300 0.261 0.000 1.042 226 I CB 2.421 40.575 38.000 0.257 0.000 1.277 226 I HN 0.442 nan 8.210 nan 0.000 0.423 227 G N 4.560 113.518 108.800 0.264 0.000 2.695 227 G HA2 0.772 4.732 3.960 -0.000 0.000 0.290 227 G HA3 0.772 4.732 3.960 -0.000 0.000 0.290 227 G C -2.405 172.714 174.900 0.364 0.000 1.410 227 G CA -0.618 44.579 45.100 0.161 0.000 0.844 227 G HN 0.620 nan 8.290 nan 0.000 0.478 228 W N -1.125 120.319 121.300 0.240 0.000 3.107 228 W HA 0.838 5.497 4.660 -0.000 0.000 0.331 228 W C -0.488 176.198 176.519 0.278 0.000 1.204 228 W CA -1.474 56.007 57.345 0.226 0.000 1.184 228 W CB 1.596 31.178 29.460 0.203 0.000 1.421 228 W HN 0.900 nan 8.180 nan 0.000 0.544 229 A N 2.972 126.059 122.820 0.446 0.000 2.342 229 A HA 0.841 5.161 4.320 -0.000 0.000 0.323 229 A C -1.498 176.303 177.584 0.361 0.000 1.125 229 A CA -1.030 51.203 52.037 0.326 0.000 0.785 229 A CB 1.008 20.129 19.000 0.203 0.000 1.221 229 A HN 0.783 nan 8.150 nan 0.000 0.463 230 L N 2.934 124.364 121.223 0.345 0.000 2.276 230 L HA 0.542 4.882 4.340 -0.000 0.000 0.286 230 L C -0.983 176.006 176.870 0.198 0.000 1.024 230 L CA -0.686 54.314 54.840 0.266 0.000 0.826 230 L CB 1.355 43.581 42.059 0.279 0.000 1.211 230 L HN 0.411 nan 8.230 nan 0.000 0.422 231 V N 3.723 123.745 119.914 0.181 0.000 2.483 231 V HA 0.303 4.423 4.120 -0.000 0.000 0.297 231 V C 0.513 176.722 176.094 0.192 0.000 1.027 231 V CA -0.708 61.696 62.300 0.174 0.000 0.855 231 V CB 1.854 33.779 31.823 0.169 0.000 0.995 231 V HN 0.698 nan 8.190 nan 0.000 0.424 232 K N 0.935 121.421 120.400 0.143 0.000 2.168 232 K HA 0.069 4.389 4.320 -0.000 0.000 0.201 232 K C 0.544 177.251 176.600 0.179 0.000 1.049 232 K CA 0.233 56.587 56.287 0.112 0.000 0.974 232 K CB 0.217 32.754 32.500 0.061 0.000 0.792 232 K HN 0.688 nan 8.250 nan 0.000 0.463 233 D N 2.386 122.877 120.400 0.151 0.000 2.358 233 D HA -0.039 4.601 4.640 -0.000 0.000 0.258 233 D C 0.796 177.182 176.300 0.142 0.000 1.223 233 D CA 0.378 54.457 54.000 0.132 0.000 0.886 233 D CB 1.208 42.050 40.800 0.070 0.000 1.120 233 D HN -0.021 nan 8.370 nan 0.000 0.482 234 K N 3.144 123.623 120.400 0.132 0.000 2.148 234 K HA -0.190 4.130 4.320 -0.000 0.000 0.204 234 K C 1.220 177.720 176.600 -0.167 0.000 1.050 234 K CA 1.015 57.219 56.287 -0.138 0.000 0.942 234 K CB 0.246 32.685 32.500 -0.103 0.000 0.724 234 K HN 0.227 nan 8.250 nan 0.000 0.446 235 E N 0.187 120.356 120.200 -0.052 0.000 2.112 235 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 235 E C 1.795 178.382 176.600 -0.021 0.000 0.979 235 E CA 0.682 57.061 56.400 -0.036 0.000 0.814 235 E CB 0.045 29.741 29.700 -0.008 0.000 0.762 235 E HN 0.086 nan 8.360 nan 0.000 0.460 236 V N 0.730 120.641 119.914 -0.004 0.000 2.295 236 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 236 V C 2.295 178.393 176.094 0.007 0.000 1.049 236 V CA 1.893 64.198 62.300 0.008 0.000 1.024 236 V CB -0.935 30.900 31.823 0.019 0.000 0.648 236 V HN 0.387 nan 8.190 nan 0.000 0.447 237 A N -0.111 122.704 122.820 -0.008 0.000 1.883 237 A HA -0.307 4.013 4.320 -0.000 0.000 0.217 237 A C 2.359 179.908 177.584 -0.058 0.000 1.186 237 A CA 2.374 54.398 52.037 -0.023 0.000 0.624 237 A CB -0.596 18.368 19.000 -0.059 0.000 0.822 237 A HN 0.540 nan 8.150 nan 0.000 0.444 238 K N -0.538 119.803 120.400 -0.099 0.000 2.063 238 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 238 K C 1.773 178.383 176.600 0.016 0.000 1.048 238 K CA 1.631 57.883 56.287 -0.058 0.000 0.928 238 K CB -0.125 32.338 32.500 -0.062 0.000 0.713 238 K HN 0.273 nan 8.250 nan 0.000 0.442 239 K N 0.245 120.667 120.400 0.036 0.000 2.167 239 K HA -0.027 4.293 4.320 -0.000 0.000 0.203 239 K C 2.141 178.817 176.600 0.127 0.000 1.052 239 K CA 0.989 57.330 56.287 0.091 0.000 0.956 239 K CB -0.087 32.466 32.500 0.087 0.000 0.735 239 K HN 0.309 nan 8.250 nan 0.000 0.451 240 M N 0.350 120.004 119.600 0.090 0.000 2.099 240 M HA -0.156 4.324 4.480 -0.000 0.000 0.262 240 M C 2.253 178.649 176.300 0.160 0.000 1.067 240 M CA 1.264 56.629 55.300 0.109 0.000 1.124 240 M CB -0.346 32.297 32.600 0.072 0.000 1.353 240 M HN -0.166 nan 8.290 nan 0.000 0.410 241 V N 0.880 120.854 119.914 0.100 0.000 2.255 241 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 241 V C 2.075 178.239 176.094 0.117 0.000 1.051 241 V CA 2.155 64.513 62.300 0.098 0.000 1.018 241 V CB -0.915 30.879 31.823 -0.048 0.000 0.641 241 V HN 0.505 nan 8.190 nan 0.000 0.445 242 E N -0.960 119.305 120.200 0.108 0.000 2.147 242 E HA -0.320 4.030 4.350 -0.000 0.000 0.199 242 E C 2.061 178.710 176.600 0.082 0.000 1.005 242 E CA 2.064 58.529 56.400 0.110 0.000 0.810 242 E CB -0.383 29.390 29.700 0.122 0.000 0.736 242 E HN 0.773 nan 8.360 nan 0.000 0.460 243 Y N 1.469 121.744 120.300 -0.040 0.000 2.070 243 Y HA -0.235 4.315 4.550 -0.000 0.000 0.279 243 Y C 2.148 177.976 175.900 -0.120 0.000 1.134 243 Y CA 1.674 59.684 58.100 -0.150 0.000 1.113 243 Y CB -0.381 37.974 38.460 -0.174 0.000 0.981 243 Y HN -0.106 nan 8.280 nan 0.000 0.487 244 I N 0.164 120.711 120.570 -0.038 0.000 2.145 244 I HA -0.407 3.763 4.170 -0.000 0.000 0.244 244 I C 2.378 178.303 176.117 -0.320 0.000 1.075 244 I CA 1.986 63.175 61.300 -0.186 0.000 1.332 244 I CB -0.645 37.344 38.000 -0.018 0.000 1.033 244 I HN 0.300 nan 8.210 nan 0.000 0.410 245 I N 0.087 120.517 120.570 -0.234 0.000 2.113 245 I HA -0.351 3.819 4.170 -0.000 0.000 0.242 245 I C 2.501 178.516 176.117 -0.169 0.000 1.057 245 I CA 1.702 62.894 61.300 -0.180 0.000 1.314 245 I CB -0.614 37.392 38.000 0.010 0.000 1.022 245 I HN 0.065 nan 8.210 nan 0.000 0.408 246 V N 0.506 120.311 119.914 -0.181 0.000 2.379 246 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 246 V C 2.221 178.168 176.094 -0.246 0.000 1.044 246 V CA 2.071 64.262 62.300 -0.182 0.000 1.036 246 V CB -0.917 30.802 31.823 -0.173 0.000 0.664 246 V HN 0.501 nan 8.190 nan 0.000 0.453 247 N N 0.339 118.803 118.700 -0.393 0.000 2.120 247 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 247 N C 1.486 176.850 175.510 -0.244 0.000 1.024 247 N CA 1.989 54.796 53.050 -0.404 0.000 0.852 247 N CB 0.170 38.264 38.487 -0.656 0.000 1.003 247 N HN 0.616 nan 8.380 nan 0.000 0.424 248 S N -1.163 114.393 115.700 -0.239 0.000 2.702 248 S HA 0.195 4.665 4.470 -0.000 0.000 0.257 248 S C 0.471 174.959 174.600 -0.186 0.000 0.981 248 S CA -0.401 57.692 58.200 -0.178 0.000 1.414 248 S CB -0.355 62.748 63.200 -0.162 0.000 1.239 248 S HN 0.318 nan 8.310 nan 0.000 0.676 249 I N 2.049 122.479 120.570 -0.234 0.000 6.679 249 I HA -0.153 4.017 4.170 -0.000 0.000 0.126 249 I C 1.023 176.911 176.117 -0.381 0.000 1.811 249 I CA 0.544 61.706 61.300 -0.229 0.000 2.117 249 I CB -2.265 35.669 38.000 -0.111 0.000 3.492 249 I HN 1.042 nan 8.210 nan 0.000 0.193 250 G N 0.058 108.376 108.800 -0.803 0.000 2.482 250 G HA2 0.032 3.992 3.960 -0.000 0.000 0.214 250 G HA3 0.032 3.992 3.960 -0.000 0.000 0.214 250 G C -0.675 173.895 174.900 -0.549 0.000 1.271 250 G CA -0.406 43.957 45.100 -1.228 0.000 0.944 250 G HN 0.719 nan 8.290 nan 0.000 0.568 251 V N 0.020 119.762 119.914 -0.288 0.000 2.851 251 V HA 0.627 4.747 4.120 -0.000 0.000 0.307 251 V C 0.800 176.892 176.094 -0.003 0.000 1.129 251 V CA 0.121 62.377 62.300 -0.073 0.000 0.932 251 V CB 1.641 33.499 31.823 0.058 0.000 1.024 251 V HN 2.082 nan 8.190 nan 0.000 0.426 252 S N 3.214 118.916 115.700 0.003 0.000 2.784 252 S HA -0.032 4.438 4.470 -0.000 0.000 0.322 252 S C 1.146 175.760 174.600 0.025 0.000 1.234 252 S CA 0.147 58.352 58.200 0.008 0.000 1.064 252 S CB 0.341 63.548 63.200 0.012 0.000 0.787 252 S HN 0.708 nan 8.310 nan 0.000 0.506 253 K N 3.209 123.622 120.400 0.021 0.000 2.097 253 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 253 K C 2.252 178.855 176.600 0.006 0.000 1.049 253 K CA 1.883 58.187 56.287 0.028 0.000 0.933 253 K CB -0.118 32.397 32.500 0.025 0.000 0.717 253 K HN 0.863 nan 8.250 nan 0.000 0.442 254 E N -0.409 119.789 120.200 -0.002 0.000 2.152 254 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 254 E C 1.847 178.439 176.600 -0.013 0.000 0.983 254 E CA 0.970 57.363 56.400 -0.011 0.000 0.818 254 E CB -0.432 29.262 29.700 -0.011 0.000 0.758 254 E HN 0.024 nan 8.360 nan 0.000 0.467 255 S N 1.419 117.121 115.700 0.004 0.000 2.359 255 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 255 S C 2.039 176.618 174.600 -0.035 0.000 1.035 255 S CA 1.438 59.648 58.200 0.015 0.000 1.018 255 S CB -0.173 63.057 63.200 0.050 0.000 0.876 255 S HN 0.350 nan 8.310 nan 0.000 0.448 256 Q N 0.000 119.782 119.800 -0.030 0.000 2.084 256 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 256 Q C 2.279 178.210 176.000 -0.115 0.000 0.978 256 Q CA 1.273 57.035 55.803 -0.068 0.000 0.844 256 Q CB -0.298 28.434 28.738 -0.011 0.000 0.898 256 Q HN 0.363 nan 8.270 nan 0.000 0.426 257 V N 0.756 120.622 119.914 -0.080 0.000 2.379 257 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 257 V C 2.351 178.372 176.094 -0.122 0.000 1.044 257 V CA 1.534 63.781 62.300 -0.089 0.000 1.036 257 V CB -0.448 31.342 31.823 -0.055 0.000 0.664 257 V HN 0.283 nan 8.190 nan 0.000 0.453 258 R N -0.306 120.126 120.500 -0.112 0.000 2.081 258 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 258 R C 2.380 178.535 176.300 -0.241 0.000 1.131 258 R CA 2.048 58.066 56.100 -0.136 0.000 0.960 258 R CB -0.492 29.762 30.300 -0.078 0.000 0.856 258 R HN 0.520 nan 8.270 nan 0.000 0.436 259 T N 0.851 115.200 114.554 -0.343 0.000 2.665 259 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 259 T C 1.818 176.165 174.700 -0.588 0.000 1.035 259 T CA 1.597 63.240 62.100 -0.761 0.000 1.151 259 T CB -0.391 67.912 68.868 -0.941 0.000 0.862 259 T HN 0.461 nan 8.240 nan 0.000 0.438 260 A N 1.578 124.164 122.820 -0.389 0.000 1.892 260 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 260 A C 2.174 179.608 177.584 -0.249 0.000 1.188 260 A CA 2.295 54.152 52.037 -0.300 0.000 0.631 260 A CB -0.594 18.278 19.000 -0.213 0.000 0.822 260 A HN 0.394 nan 8.150 nan 0.000 0.447 261 K N -0.058 120.212 120.400 -0.217 0.000 1.965 261 K HA -0.111 4.209 4.320 -0.000 0.000 0.214 261 K C 1.706 178.188 176.600 -0.196 0.000 1.046 261 K CA 1.667 57.851 56.287 -0.170 0.000 0.944 261 K CB -0.607 31.808 32.500 -0.141 0.000 0.726 261 K HN 0.303 nan 8.250 nan 0.000 0.441 262 I N 1.400 121.804 120.570 -0.277 0.000 2.103 262 I HA -0.355 3.815 4.170 -0.000 0.000 0.241 262 I C 2.314 178.276 176.117 -0.260 0.000 1.036 262 I CA 1.718 62.795 61.300 -0.372 0.000 1.300 262 I CB -1.376 36.291 38.000 -0.555 0.000 1.010 262 I HN 0.256 nan 8.210 nan 0.000 0.406 263 L N -0.179 120.875 121.223 -0.283 0.000 2.131 263 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 263 L C 2.158 178.928 176.870 -0.166 0.000 1.092 263 L CA 1.488 56.186 54.840 -0.236 0.000 0.759 263 L CB -0.740 41.128 42.059 -0.318 0.000 0.903 263 L HN 0.409 nan 8.230 nan 0.000 0.435 264 N N -0.680 117.928 118.700 -0.152 0.000 2.142 264 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 264 N C 1.851 177.333 175.510 -0.048 0.000 1.023 264 N CA 0.880 53.872 53.050 -0.097 0.000 0.852 264 N CB 0.056 38.486 38.487 -0.095 0.000 0.998 264 N HN 0.023 nan 8.380 nan 0.000 0.424 265 V N 1.781 121.678 119.914 -0.027 0.000 2.392 265 V HA -0.197 3.923 4.120 -0.000 0.000 0.249 265 V C 2.126 178.265 176.094 0.075 0.000 1.059 265 V CA 1.303 63.630 62.300 0.047 0.000 1.051 265 V CB -0.525 31.370 31.823 0.121 0.000 0.658 265 V HN 0.383 nan 8.190 nan 0.000 0.455 266 L N -0.320 120.934 121.223 0.051 0.000 2.156 266 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 266 L C 2.463 179.307 176.870 -0.044 0.000 1.095 266 L CA 1.754 56.583 54.840 -0.018 0.000 0.770 266 L CB -0.384 41.576 42.059 -0.166 0.000 0.914 266 L HN 0.202 nan 8.230 nan 0.000 0.439 267 K N 0.102 120.487 120.400 -0.025 0.000 2.057 267 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 267 K C 1.898 178.521 176.600 0.039 0.000 1.050 267 K CA 1.794 58.090 56.287 0.016 0.000 0.935 267 K CB -0.043 32.452 32.500 -0.009 0.000 0.715 267 K HN 0.419 nan 8.250 nan 0.000 0.439 268 E N -0.390 119.826 120.200 0.026 0.000 2.097 268 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 268 E C 1.866 178.497 176.600 0.053 0.000 1.000 268 E CA 1.770 58.191 56.400 0.034 0.000 0.804 268 E CB -0.119 29.596 29.700 0.025 0.000 0.740 268 E HN 0.226 nan 8.360 nan 0.000 0.454 269 T N -0.555 114.034 114.554 0.058 0.000 2.915 269 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 269 T C 1.710 176.475 174.700 0.109 0.000 1.071 269 T CA 0.849 62.995 62.100 0.076 0.000 1.132 269 T CB -0.275 68.641 68.868 0.081 0.000 0.878 269 T HN 0.314 nan 8.240 nan 0.000 0.479 270 C N 2.003 121.383 119.300 0.134 0.000 2.430 270 C HA 0.013 4.473 4.460 -0.000 0.000 0.288 270 C C 2.141 177.237 174.990 0.176 0.000 1.448 270 C CA 0.689 59.843 59.018 0.226 0.000 1.784 270 C CB -0.983 26.933 27.740 0.293 0.000 1.776 270 C HN 0.681 nan 8.230 nan 0.000 0.547 271 K N -0.178 120.292 120.400 0.116 0.000 2.372 271 K HA 0.177 4.497 4.320 -0.000 0.000 0.200 271 K C 0.568 177.212 176.600 0.074 0.000 1.022 271 K CA 0.119 56.455 56.287 0.082 0.000 1.125 271 K CB 0.270 32.806 32.500 0.060 0.000 0.855 271 K HN 0.199 nan 8.250 nan 0.000 0.524 272 S N 0.844 116.598 115.700 0.089 0.000 2.624 272 S HA 0.099 4.569 4.470 -0.000 0.000 0.263 272 S C 0.604 175.252 174.600 0.080 0.000 1.287 272 S CA -0.427 57.819 58.200 0.077 0.000 0.990 272 S CB 1.067 64.315 63.200 0.080 0.000 0.950 272 S HN 0.254 nan 8.310 nan 0.000 0.561 273 E N 0.865 121.104 120.200 0.064 0.000 2.182 273 E HA 0.126 4.476 4.350 -0.000 0.000 0.195 273 E C 0.644 177.281 176.600 0.063 0.000 0.933 273 E CA 0.177 56.613 56.400 0.059 0.000 0.940 273 E CB -0.902 28.823 29.700 0.042 0.000 0.945 273 E HN 0.583 nan 8.360 nan 0.000 0.477 274 S N 1.333 117.066 115.700 0.055 0.000 2.643 274 S HA -0.143 4.327 4.470 -0.000 0.000 0.310 274 S C 1.029 175.679 174.600 0.084 0.000 1.253 274 S CA 0.328 58.562 58.200 0.058 0.000 1.047 274 S CB 0.375 63.603 63.200 0.047 0.000 0.767 274 S HN 0.143 nan 8.310 nan 0.000 0.498 275 E N 2.009 122.258 120.200 0.083 0.000 2.230 275 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 275 E C 1.979 178.685 176.600 0.178 0.000 0.987 275 E CA 0.960 57.419 56.400 0.100 0.000 0.841 275 E CB 0.033 29.764 29.700 0.052 0.000 0.783 275 E HN 0.867 nan 8.360 nan 0.000 0.481 276 S N 0.318 116.136 115.700 0.195 0.000 2.461 276 S HA -0.012 4.458 4.470 -0.000 0.000 0.228 276 S C 1.692 176.415 174.600 0.205 0.000 1.005 276 S CA 0.275 58.656 58.200 0.302 0.000 0.942 276 S CB 0.165 63.477 63.200 0.187 0.000 0.776 276 S HN 0.108 nan 8.310 nan 0.000 0.514 277 E N 2.336 122.618 120.200 0.136 0.000 2.011 277 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 277 E C 0.686 177.387 176.600 0.167 0.000 0.980 277 E CA 0.268 56.726 56.400 0.097 0.000 0.814 277 E CB -0.533 29.202 29.700 0.059 0.000 0.775 277 E HN 0.482 nan 8.360 nan 0.000 0.454 278 N N 1.087 119.873 118.700 0.144 0.000 2.411 278 N HA -0.127 4.613 4.740 -0.000 0.000 0.261 278 N C 0.630 176.186 175.510 0.077 0.000 1.248 278 N CA 0.120 53.256 53.050 0.143 0.000 0.885 278 N CB 0.334 38.933 38.487 0.186 0.000 1.062 278 N HN 0.022 nan 8.380 nan 0.000 0.471 279 F N 5.072 124.907 119.950 -0.192 0.000 2.113 279 F HA -0.040 4.487 4.527 0.000 0.000 0.297 279 F C 1.304 176.837 175.800 -0.445 0.000 1.103 279 F CA 1.352 59.008 58.000 -0.574 0.000 1.248 279 F CB -0.197 38.286 39.000 -0.861 0.000 0.999 279 F HN 0.545 nan 8.300 nan 0.000 0.475 280 F N 0.122 119.960 119.950 -0.187 0.000 2.259 280 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 280 F C 2.339 178.224 175.800 0.140 0.000 1.088 280 F CA 0.562 58.463 58.000 -0.164 0.000 1.358 280 F CB -0.473 38.514 39.000 -0.023 0.000 1.040 280 F HN -0.154 nan 8.300 nan 0.000 0.505 281 K N 0.337 120.974 120.400 0.395 0.000 1.984 281 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 281 K C 2.002 178.619 176.600 0.029 0.000 1.046 281 K CA 1.451 57.878 56.287 0.233 0.000 0.934 281 K CB -1.165 31.473 32.500 0.230 0.000 0.717 281 K HN 0.256 nan 8.250 nan 0.000 0.438 282 Y N 0.649 120.863 120.300 -0.143 0.000 2.062 282 Y HA -0.334 4.216 4.550 -0.000 0.000 0.273 282 Y C 2.066 177.813 175.900 -0.255 0.000 1.206 282 Y CA 2.612 60.582 58.100 -0.217 0.000 1.125 282 Y CB -0.747 37.523 38.460 -0.317 0.000 0.951 282 Y HN 0.201 nan 8.280 nan 0.000 0.501 283 G N -0.795 107.836 108.800 -0.282 0.000 2.394 283 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.214 283 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.214 283 G C 1.666 176.548 174.900 -0.030 0.000 1.176 283 G CA 0.665 45.679 45.100 -0.144 0.000 0.786 283 G HN 0.425 nan 8.290 nan 0.000 0.533 284 R N 0.173 120.705 120.500 0.052 0.000 2.119 284 R HA -0.156 4.184 4.340 -0.000 0.000 0.246 284 R C 2.331 178.614 176.300 -0.029 0.000 1.146 284 R CA 1.929 58.084 56.100 0.091 0.000 0.962 284 R CB -0.219 30.155 30.300 0.123 0.000 0.863 284 R HN 0.278 nan 8.270 nan 0.000 0.442 285 E N 0.138 120.261 120.200 -0.128 0.000 2.107 285 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 285 E C 1.811 178.268 176.600 -0.238 0.000 0.982 285 E CA 1.330 57.619 56.400 -0.184 0.000 0.809 285 E CB -0.140 29.438 29.700 -0.204 0.000 0.756 285 E HN 0.403 nan 8.360 nan 0.000 0.459 286 M N -0.735 118.685 119.600 -0.300 0.000 2.099 286 M HA -0.158 4.322 4.480 -0.000 0.000 0.262 286 M C 1.509 177.687 176.300 -0.203 0.000 1.067 286 M CA 1.274 56.394 55.300 -0.301 0.000 1.124 286 M CB -0.008 32.372 32.600 -0.367 0.000 1.353 286 M HN 0.104 nan 8.290 nan 0.000 0.410 287 M N 0.271 119.806 119.600 -0.108 0.000 2.132 287 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 287 M C 2.022 178.220 176.300 -0.171 0.000 1.065 287 M CA 1.583 56.889 55.300 0.010 0.000 1.122 287 M CB -1.453 31.277 32.600 0.216 0.000 1.365 287 M HN 0.296 nan 8.290 nan 0.000 0.411 288 K N 0.763 120.877 120.400 -0.476 0.000 2.000 288 K HA -0.243 4.077 4.320 -0.000 0.000 0.218 288 K C 1.925 178.257 176.600 -0.447 0.000 1.053 288 K CA 2.141 57.883 56.287 -0.907 0.000 0.946 288 K CB -0.341 31.895 32.500 -0.440 0.000 0.723 288 K HN 0.410 nan 8.250 nan 0.000 0.446 289 N N 0.075 118.629 118.700 -0.242 0.000 2.069 289 N HA -0.211 4.529 4.740 -0.000 0.000 0.191 289 N C 1.913 177.389 175.510 -0.057 0.000 1.031 289 N CA 1.254 54.230 53.050 -0.124 0.000 0.852 289 N CB 0.037 38.456 38.487 -0.112 0.000 1.018 289 N HN 0.188 nan 8.380 nan 0.000 0.423 290 R N -0.480 119.946 120.500 -0.122 0.000 2.103 290 R HA -0.175 4.165 4.340 -0.000 0.000 0.242 290 R C 1.944 178.213 176.300 -0.053 0.000 1.142 290 R CA 1.931 57.920 56.100 -0.184 0.000 0.960 290 R CB -0.376 29.552 30.300 -0.620 0.000 0.858 290 R HN 0.460 nan 8.270 nan 0.000 0.439 291 W N 0.913 122.157 121.300 -0.092 0.000 2.467 291 W HA -0.044 4.616 4.660 -0.000 0.000 0.275 291 W C 2.056 178.605 176.519 0.050 0.000 1.239 291 W CA 0.669 58.029 57.345 0.024 0.000 1.266 291 W CB 0.123 29.581 29.460 -0.002 0.000 1.112 291 W HN 0.183 nan 8.180 nan 0.000 0.576 292 E N 0.317 120.621 120.200 0.172 0.000 2.016 292 E HA -0.185 4.165 4.350 -0.000 0.000 0.190 292 E C 1.997 178.659 176.600 0.103 0.000 0.985 292 E CA 1.182 57.656 56.400 0.123 0.000 0.802 292 E CB -0.203 29.523 29.700 0.043 0.000 0.762 292 E HN 0.208 nan 8.360 nan 0.000 0.448 293 K N 0.695 121.146 120.400 0.086 0.000 2.034 293 K HA -0.220 4.100 4.320 -0.000 0.000 0.214 293 K C 2.292 178.909 176.600 0.029 0.000 1.051 293 K CA 1.316 57.637 56.287 0.058 0.000 0.931 293 K CB -0.378 32.173 32.500 0.085 0.000 0.715 293 K HN 0.039 nan 8.250 nan 0.000 0.446 294 L N 1.443 122.707 121.223 0.067 0.000 2.042 294 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 294 L C 2.291 179.175 176.870 0.023 0.000 1.076 294 L CA 1.673 56.507 54.840 -0.011 0.000 0.749 294 L CB -0.324 41.728 42.059 -0.012 0.000 0.893 294 L HN -0.010 nan 8.230 nan 0.000 0.432 295 R N -0.490 120.082 120.500 0.120 0.000 2.075 295 R HA -0.181 4.159 4.340 -0.000 0.000 0.232 295 R C 2.221 178.576 176.300 0.093 0.000 1.126 295 R CA 1.312 57.508 56.100 0.160 0.000 0.963 295 R CB -0.280 30.160 30.300 0.234 0.000 0.858 295 R HN 0.454 nan 8.270 nan 0.000 0.435 296 E N -0.310 119.928 120.200 0.064 0.000 2.048 296 E HA -0.199 4.151 4.350 -0.000 0.000 0.202 296 E C 1.753 178.357 176.600 0.006 0.000 1.021 296 E CA 2.068 58.486 56.400 0.030 0.000 0.825 296 E CB -0.305 29.403 29.700 0.013 0.000 0.756 296 E HN 0.115 nan 8.360 nan 0.000 0.454 297 V N -0.290 119.606 119.914 -0.031 0.000 2.392 297 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 297 V C 2.328 178.421 176.094 -0.001 0.000 1.059 297 V CA 1.680 63.944 62.300 -0.061 0.000 1.051 297 V CB -0.410 31.310 31.823 -0.170 0.000 0.658 297 V HN 0.194 nan 8.190 nan 0.000 0.455 298 V N -0.365 119.566 119.914 0.029 0.000 2.871 298 V HA -0.137 3.983 4.120 -0.000 0.000 0.256 298 V C 2.348 178.494 176.094 0.086 0.000 1.082 298 V CA 1.726 64.088 62.300 0.103 0.000 1.105 298 V CB -0.431 31.461 31.823 0.115 0.000 0.713 298 V HN 0.500 nan 8.190 nan 0.000 0.473 299 K N 1.854 122.290 120.400 0.059 0.000 2.007 299 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 299 K C 2.092 178.708 176.600 0.026 0.000 1.047 299 K CA 1.910 58.225 56.287 0.047 0.000 0.937 299 K CB -0.338 32.189 32.500 0.046 0.000 0.718 299 K HN 0.662 nan 8.250 nan 0.000 0.438 300 E N -0.287 119.923 120.200 0.017 0.000 2.418 300 E HA 0.018 4.368 4.350 -0.000 0.000 0.197 300 E C -0.207 176.391 176.600 -0.004 0.000 1.026 300 E CA 0.176 56.577 56.400 0.002 0.000 0.862 300 E CB 0.099 29.796 29.700 -0.005 0.000 0.799 300 E HN -0.035 nan 8.360 nan 0.000 0.518 301 S N 1.909 117.616 115.700 0.011 0.000 2.586 301 S HA 0.038 4.508 4.470 -0.000 0.000 0.274 301 S C 0.363 174.938 174.600 -0.041 0.000 1.281 301 S CA -0.348 57.847 58.200 -0.008 0.000 1.035 301 S CB 1.185 64.431 63.200 0.077 0.000 0.962 301 S HN 0.382 nan 8.310 nan 0.000 0.512 302 D N 1.541 121.881 120.400 -0.099 0.000 2.366 302 D HA 0.111 4.751 4.640 -0.000 0.000 0.205 302 D C 1.433 177.636 176.300 -0.161 0.000 1.022 302 D CA 0.337 54.276 54.000 -0.101 0.000 0.868 302 D CB -0.205 40.542 40.800 -0.088 0.000 0.953 302 D HN 0.429 nan 8.370 nan 0.000 0.514 303 A N 0.154 122.791 122.820 -0.305 0.000 1.903 303 A HA 0.176 4.496 4.320 -0.000 0.000 0.213 303 A C 0.567 177.897 177.584 -0.423 0.000 1.185 303 A CA 0.212 51.959 52.037 -0.483 0.000 0.628 303 A CB -0.459 18.040 19.000 -0.836 0.000 0.830 303 A HN 0.091 nan 8.150 nan 0.000 0.446 304 F N 1.060 120.966 119.950 -0.073 0.000 2.384 304 F HA 0.458 4.985 4.527 -0.000 0.000 0.338 304 F C 1.129 176.898 175.800 -0.051 0.000 1.103 304 F CA -0.173 57.781 58.000 -0.077 0.000 1.157 304 F CB 1.028 39.982 39.000 -0.076 0.000 1.167 304 F HN 0.139 nan 8.300 nan 0.000 0.529 305 T N 0.448 115.086 114.554 0.140 0.000 2.937 305 T HA 0.853 5.203 4.350 -0.000 0.000 0.283 305 T C -1.205 173.569 174.700 0.123 0.000 1.012 305 T CA -0.848 61.308 62.100 0.093 0.000 0.997 305 T CB 1.873 70.763 68.868 0.037 0.000 1.136 305 T HN 0.521 nan 8.240 nan 0.000 0.551 306 L N 0.790 122.105 121.223 0.153 0.000 2.830 306 L HA 0.502 4.842 4.340 -0.000 0.000 0.259 306 L C -2.725 174.264 176.870 0.199 0.000 0.926 306 L CA -0.998 53.982 54.840 0.233 0.000 0.993 306 L CB 1.382 43.602 42.059 0.268 0.000 1.589 306 L HN 0.641 nan 8.230 nan 0.000 0.460 307 P HA 0.309 nan 4.420 nan 0.000 0.269 307 P C -1.367 175.771 177.300 -0.271 0.000 1.217 307 P CA -0.208 62.851 63.100 -0.069 0.000 0.783 307 P CB 0.414 32.006 31.700 -0.179 0.000 0.898 308 K N 1.437 121.603 120.400 -0.389 0.000 2.221 308 K HA 0.445 4.765 4.320 -0.000 0.000 0.258 308 K C -1.073 175.203 176.600 -0.540 0.000 0.944 308 K CA -0.547 55.549 56.287 -0.319 0.000 0.823 308 K CB 1.351 33.790 32.500 -0.102 0.000 1.113 308 K HN 0.372 nan 8.250 nan 0.000 0.431 309 Y N 1.970 122.262 120.300 -0.013 0.000 2.331 309 Y HA 0.241 4.791 4.550 -0.000 0.000 0.334 309 Y C -1.846 174.030 175.900 -0.040 0.000 0.960 309 Y CA -2.517 55.556 58.100 -0.045 0.000 1.130 309 Y CB 0.695 39.079 38.460 -0.127 0.000 1.164 309 Y HN 0.489 nan 8.280 nan 0.000 0.458 310 P HA -0.042 nan 4.420 nan 0.000 0.267 310 P C -0.412 176.919 177.300 0.052 0.000 1.201 310 P CA -0.143 62.999 63.100 0.070 0.000 0.775 310 P CB 1.133 32.875 31.700 0.069 0.000 0.854 311 E N 0.236 120.459 120.200 0.038 0.000 2.301 311 E HA 0.501 4.851 4.350 -0.000 0.000 0.275 311 E C -0.949 175.680 176.600 0.049 0.000 1.030 311 E CA -0.638 55.776 56.400 0.023 0.000 0.852 311 E CB 0.848 30.564 29.700 0.027 0.000 1.060 311 E HN 0.575 nan 8.360 nan 0.000 0.401 312 A N 3.642 126.492 122.820 0.050 0.000 2.556 312 A HA 0.434 4.754 4.320 -0.000 0.000 0.294 312 A C -1.478 176.180 177.584 0.123 0.000 1.091 312 A CA -0.740 51.354 52.037 0.096 0.000 0.704 312 A CB 0.773 19.825 19.000 0.086 0.000 1.300 312 A HN 0.667 nan 8.150 nan 0.000 0.406 313 F N 0.918 120.887 119.950 0.033 0.000 2.443 313 F HA 0.441 4.968 4.527 -0.000 0.000 0.353 313 F C 0.341 176.171 175.800 0.050 0.000 1.101 313 F CA 0.082 58.105 58.000 0.037 0.000 1.226 313 F CB 0.740 39.759 39.000 0.031 0.000 1.140 313 F HN 0.609 nan 8.300 nan 0.000 0.557 314 C N 8.415 127.267 119.300 -0.746 0.000 2.264 314 C HA 0.322 4.782 4.460 -0.000 0.000 0.324 314 C C 1.138 175.800 174.990 -0.545 0.000 1.267 314 C CA -0.847 57.913 59.018 -0.429 0.000 1.618 314 C CB -0.747 26.895 27.740 -0.164 0.000 2.278 314 C HN 0.917 nan 8.230 nan 0.000 0.499 315 N N 2.445 121.065 118.700 -0.133 0.000 2.396 315 N HA -0.101 4.639 4.740 -0.000 0.000 0.180 315 N C 1.094 176.577 175.510 -0.046 0.000 1.028 315 N CA 1.109 54.176 53.050 0.027 0.000 0.893 315 N CB -0.183 38.371 38.487 0.111 0.000 0.967 315 N HN 0.921 nan 8.380 nan 0.000 0.440 316 Y N 0.137 120.314 120.300 -0.205 0.000 2.176 316 Y HA 0.011 4.561 4.550 -0.000 0.000 0.291 316 Y C 1.622 177.340 175.900 -0.303 0.000 1.122 316 Y CA 1.255 59.171 58.100 -0.306 0.000 1.128 316 Y CB -0.402 37.760 38.460 -0.495 0.000 1.005 316 Y HN -0.174 nan 8.280 nan 0.000 0.509 317 F N -0.010 119.753 119.950 -0.312 0.000 2.569 317 F HA 0.230 4.757 4.527 -0.000 0.000 0.295 317 F C 2.116 177.747 175.800 -0.282 0.000 1.115 317 F CA 1.070 58.876 58.000 -0.323 0.000 1.450 317 F CB -0.347 38.559 39.000 -0.157 0.000 1.107 317 F HN 0.213 nan 8.300 nan 0.000 0.563 318 G N 0.703 109.391 108.800 -0.188 0.000 2.143 318 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.249 318 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.249 318 G C 0.337 175.122 174.900 -0.191 0.000 0.981 318 G CA 0.249 45.256 45.100 -0.156 0.000 0.665 318 G HN 0.385 nan 8.290 nan 0.000 0.528 319 K N -0.398 119.780 120.400 -0.370 0.000 2.346 319 K HA 0.699 5.019 4.320 -0.000 0.000 0.238 319 K C -0.224 176.176 176.600 -0.333 0.000 1.039 319 K CA -0.631 55.550 56.287 -0.177 0.000 0.861 319 K CB 1.680 34.133 32.500 -0.079 0.000 1.278 319 K HN 0.063 nan 8.250 nan 0.000 0.460 320 S N 0.906 116.598 115.700 -0.013 0.000 2.513 320 S HA 0.523 4.993 4.470 -0.000 0.000 0.276 320 S C -0.991 173.593 174.600 -0.027 0.000 1.254 320 S CA -0.657 57.562 58.200 0.031 0.000 1.053 320 S CB -0.216 63.071 63.200 0.145 0.000 0.958 320 S HN 0.412 nan 8.310 nan 0.000 0.491 321 L N 2.098 123.293 121.223 -0.046 0.000 2.600 321 L HA 0.690 5.030 4.340 -0.000 0.000 0.257 321 L C -0.504 176.298 176.870 -0.113 0.000 1.048 321 L CA -0.963 53.836 54.840 -0.068 0.000 0.869 321 L CB 0.750 42.758 42.059 -0.085 0.000 1.482 321 L HN 0.390 nan 8.230 nan 0.000 0.408 322 E N 0.409 120.486 120.200 -0.204 0.000 2.318 322 E HA 0.531 4.881 4.350 -0.000 0.000 0.265 322 E C -0.683 175.493 176.600 -0.706 0.000 1.069 322 E CA -0.512 55.656 56.400 -0.387 0.000 0.893 322 E CB 1.650 31.113 29.700 -0.394 0.000 1.076 322 E HN 0.726 nan 8.360 nan 0.000 0.414 323 S N 1.130 116.439 115.700 -0.652 0.000 2.541 323 S HA 0.355 4.825 4.470 -0.000 0.000 0.283 323 S C -0.782 173.206 174.600 -1.020 0.000 1.196 323 S CA -0.655 57.136 58.200 -0.681 0.000 1.062 323 S CB 0.305 63.252 63.200 -0.421 0.000 1.009 323 S HN 0.483 nan 8.310 nan 0.000 0.502 324 Y N 1.619 121.659 120.300 -0.433 0.000 2.787 324 Y HA 0.371 4.921 4.550 -0.000 0.000 0.352 324 Y C -2.532 173.110 175.900 -0.431 0.000 1.027 324 Y CA -2.362 55.298 58.100 -0.734 0.000 1.219 324 Y CB 0.940 39.221 38.460 -0.297 0.000 1.110 324 Y HN 0.520 nan 8.280 nan 0.000 0.614 325 P HA -0.088 nan 4.420 nan 0.000 0.270 325 P C 0.559 177.912 177.300 0.088 0.000 1.221 325 P CA 0.388 63.388 63.100 -0.168 0.000 0.788 325 P CB 0.971 32.559 31.700 -0.186 0.000 0.904 326 A N 0.275 122.836 122.820 -0.433 0.000 2.206 326 A HA 0.102 4.422 4.320 -0.000 0.000 0.211 326 A C 0.128 177.309 177.584 -0.671 0.000 1.158 326 A CA 1.182 52.816 52.037 -0.673 0.000 0.761 326 A CB -0.802 17.403 19.000 -1.325 0.000 0.801 326 A HN 0.429 nan 8.150 nan 0.000 0.473 327 F N -1.525 118.414 119.950 -0.017 0.000 2.578 327 F HA 0.624 5.151 4.527 -0.000 0.000 0.311 327 F C 0.192 176.196 175.800 0.340 0.000 1.094 327 F CA -1.201 56.841 58.000 0.070 0.000 0.923 327 F CB 1.780 40.765 39.000 -0.025 0.000 1.230 327 F HN 0.013 nan 8.300 nan 0.000 0.450 328 A N 2.627 125.710 122.820 0.438 0.000 2.290 328 A HA 0.340 4.660 4.320 -0.000 0.000 0.310 328 A C -1.111 176.772 177.584 0.498 0.000 1.202 328 A CA -0.504 51.792 52.037 0.433 0.000 0.837 328 A CB 0.456 19.500 19.000 0.073 0.000 1.139 328 A HN 0.948 nan 8.150 nan 0.000 0.509 329 W N 5.640 127.131 121.300 0.319 0.000 2.060 329 W HA 0.431 5.091 4.660 -0.000 0.000 0.347 329 W C -1.404 175.270 176.519 0.257 0.000 0.831 329 W CA -0.734 56.754 57.345 0.238 0.000 1.590 329 W CB 0.561 30.158 29.460 0.228 0.000 1.737 329 W HN 0.605 nan 8.180 nan 0.000 0.329 330 L N 4.909 126.161 121.223 0.048 0.000 2.360 330 L HA 0.534 4.874 4.340 -0.000 0.000 0.276 330 L C 0.413 177.152 176.870 -0.219 0.000 1.121 330 L CA 0.698 55.512 54.840 -0.042 0.000 0.845 330 L CB 0.699 42.723 42.059 -0.058 0.000 1.143 330 L HN 0.299 nan 8.230 nan 0.000 0.452 331 G N 2.297 110.992 108.800 -0.175 0.000 2.473 331 G HA2 0.527 4.487 3.960 -0.000 0.000 0.321 331 G HA3 0.527 4.487 3.960 -0.000 0.000 0.321 331 G C -1.079 173.737 174.900 -0.141 0.000 1.200 331 G CA -0.448 44.395 45.100 -0.428 0.000 0.963 331 G HN 0.528 nan 8.290 nan 0.000 0.483 332 T N -0.557 113.858 114.554 -0.232 0.000 2.895 332 T HA 0.329 4.679 4.350 -0.000 0.000 0.283 332 T C 1.266 175.872 174.700 -0.157 0.000 1.014 332 T CA -0.578 61.457 62.100 -0.109 0.000 1.037 332 T CB 1.265 70.080 68.868 -0.089 0.000 1.006 332 T HN 0.430 nan 8.240 nan 0.000 0.468 333 K N 1.516 121.834 120.400 -0.138 0.000 2.062 333 K HA 0.016 4.336 4.320 -0.000 0.000 0.205 333 K C 0.128 176.670 176.600 -0.096 0.000 1.051 333 K CA 1.077 57.299 56.287 -0.107 0.000 0.941 333 K CB 0.134 32.573 32.500 -0.102 0.000 0.719 333 K HN 0.588 nan 8.250 nan 0.000 0.440 334 E N 1.004 121.139 120.200 -0.108 0.000 2.222 334 E HA 0.144 4.494 4.350 -0.000 0.000 0.272 334 E C -0.991 175.564 176.600 -0.075 0.000 0.982 334 E CA -0.595 55.755 56.400 -0.084 0.000 0.842 334 E CB 1.003 30.650 29.700 -0.088 0.000 1.144 334 E HN -0.085 nan 8.360 nan 0.000 0.397 335 E N 1.200 121.369 120.200 -0.052 0.000 2.493 335 E HA 0.170 4.520 4.350 -0.000 0.000 0.255 335 E C -0.731 175.846 176.600 -0.039 0.000 0.999 335 E CA 0.532 56.908 56.400 -0.039 0.000 0.934 335 E CB 0.225 29.911 29.700 -0.023 0.000 0.940 335 E HN 0.422 nan 8.360 nan 0.000 0.473 336 T N 1.404 115.935 114.554 -0.039 0.000 2.792 336 T HA 0.279 4.629 4.350 -0.000 0.000 0.303 336 T C -1.105 173.584 174.700 -0.018 0.000 1.310 336 T CA -0.996 61.086 62.100 -0.029 0.000 1.007 336 T CB 1.256 70.102 68.868 -0.037 0.000 1.335 336 T HN 0.243 nan 8.240 nan 0.000 0.504 337 D N 1.315 121.712 120.400 -0.004 0.000 2.493 337 D HA 0.285 4.925 4.640 -0.000 0.000 0.235 337 D C 0.708 177.013 176.300 0.009 0.000 1.117 337 D CA -0.674 53.328 54.000 0.003 0.000 0.930 337 D CB 0.742 41.548 40.800 0.011 0.000 1.010 337 D HN 0.302 nan 8.370 nan 0.000 0.514 338 L N 4.098 125.319 121.223 -0.003 0.000 2.056 338 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 338 L C 2.056 178.934 176.870 0.014 0.000 1.078 338 L CA 1.378 56.224 54.840 0.009 0.000 0.749 338 L CB -0.450 41.595 42.059 -0.023 0.000 0.901 338 L HN 0.341 nan 8.230 nan 0.000 0.433 339 V N -1.673 118.241 119.914 0.001 0.000 2.490 339 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 339 V C 2.548 178.654 176.094 0.021 0.000 1.061 339 V CA 1.986 64.290 62.300 0.005 0.000 1.064 339 V CB 0.092 31.918 31.823 0.004 0.000 0.670 339 V HN 0.638 nan 8.190 nan 0.000 0.461 340 S N -1.377 114.340 115.700 0.027 0.000 2.458 340 S HA -0.055 4.415 4.470 -0.000 0.000 0.223 340 S C 1.840 176.476 174.600 0.060 0.000 1.019 340 S CA 0.619 58.840 58.200 0.035 0.000 0.937 340 S CB -0.163 63.054 63.200 0.027 0.000 0.788 340 S HN 0.669 nan 8.310 nan 0.000 0.511 341 E N 1.401 121.643 120.200 0.070 0.000 2.047 341 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 341 E C 1.985 178.697 176.600 0.187 0.000 0.987 341 E CA 0.803 57.275 56.400 0.118 0.000 0.799 341 E CB -0.368 29.392 29.700 0.099 0.000 0.752 341 E HN 0.373 nan 8.360 nan 0.000 0.449 342 L N 0.612 121.904 121.223 0.114 0.000 2.191 342 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 342 L C 2.387 179.344 176.870 0.146 0.000 1.103 342 L CA 1.129 56.038 54.840 0.114 0.000 0.769 342 L CB -1.179 40.912 42.059 0.053 0.000 0.908 342 L HN 0.065 nan 8.230 nan 0.000 0.438 343 R N 0.250 120.809 120.500 0.097 0.000 2.120 343 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 343 R C 2.346 178.685 176.300 0.065 0.000 1.123 343 R CA 1.059 57.197 56.100 0.063 0.000 0.975 343 R CB -0.067 30.255 30.300 0.037 0.000 0.866 343 R HN 0.241 nan 8.270 nan 0.000 0.446 344 R N -1.221 119.331 120.500 0.086 0.000 2.237 344 R HA -0.038 4.301 4.340 -0.000 0.000 0.219 344 R C 0.938 177.184 176.300 -0.090 0.000 1.080 344 R CA 0.939 57.040 56.100 0.001 0.000 0.995 344 R CB -0.022 30.274 30.300 -0.008 0.000 0.875 344 R HN 0.453 nan 8.270 nan 0.000 0.462 345 H N 0.229 119.314 119.070 0.025 0.000 2.520 345 H HA 0.192 4.748 4.556 -0.000 0.000 0.284 345 H C -0.076 175.271 175.328 0.031 0.000 1.037 345 H CA -0.083 55.983 56.048 0.031 0.000 1.168 345 H CB 0.526 30.312 29.762 0.041 0.000 1.497 345 H HN 0.024 nan 8.280 nan 0.000 0.547 346 K N 0.695 121.152 120.400 0.096 0.000 3.077 346 K HA -0.130 4.190 4.320 -0.000 0.000 0.264 346 K C -0.760 175.867 176.600 0.045 0.000 1.008 346 K CA 0.144 56.458 56.287 0.044 0.000 0.740 346 K CB -1.342 31.171 32.500 0.022 0.000 1.273 346 K HN 0.013 nan 8.250 nan 0.000 0.477 347 V N 2.345 122.302 119.914 0.072 0.000 2.350 347 V HA 0.269 4.389 4.120 -0.000 0.000 0.285 347 V C 0.242 176.331 176.094 -0.008 0.000 1.014 347 V CA -0.678 61.649 62.300 0.045 0.000 0.831 347 V CB 1.390 33.291 31.823 0.129 0.000 1.000 347 V HN 0.171 nan 8.190 nan 0.000 0.433 348 M N 4.386 123.951 119.600 -0.060 0.000 2.249 348 M HA 0.557 5.037 4.480 -0.000 0.000 0.351 348 M C 0.288 176.528 176.300 -0.101 0.000 1.180 348 M CA 0.332 55.593 55.300 -0.066 0.000 1.127 348 M CB 1.124 33.682 32.600 -0.070 0.000 1.546 348 M HN 0.783 nan 8.290 nan 0.000 0.461 349 S N 1.864 117.521 115.700 -0.072 0.000 2.688 349 S HA 0.808 5.278 4.470 -0.000 0.000 0.275 349 S C -1.022 173.555 174.600 -0.038 0.000 1.175 349 S CA -1.122 57.032 58.200 -0.076 0.000 0.818 349 S CB 2.359 65.510 63.200 -0.081 0.000 1.157 349 S HN 0.629 nan 8.310 nan 0.000 0.482 350 R N 0.956 121.443 120.500 -0.023 0.000 2.265 350 R HA 0.715 5.055 4.340 -0.000 0.000 0.319 350 R C 0.007 176.331 176.300 0.041 0.000 1.006 350 R CA 0.009 56.111 56.100 0.002 0.000 0.880 350 R CB 0.651 30.941 30.300 -0.016 0.000 1.077 350 R HN 0.989 nan 8.270 nan 0.000 0.454 351 A N 3.487 126.328 122.820 0.035 0.000 2.524 351 A HA 0.267 4.587 4.320 -0.000 0.000 0.250 351 A C 1.390 179.034 177.584 0.100 0.000 1.078 351 A CA 0.351 52.416 52.037 0.046 0.000 0.761 351 A CB 0.122 19.142 19.000 0.033 0.000 1.012 351 A HN 1.004 nan 8.150 nan 0.000 0.500 352 G N 1.556 110.429 108.800 0.122 0.000 2.475 352 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 352 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 352 G C 1.188 176.187 174.900 0.166 0.000 1.125 352 G CA 1.242 46.507 45.100 0.275 0.000 0.755 352 G HN 0.875 nan 8.290 nan 0.000 0.565 353 E N -0.247 120.006 120.200 0.090 0.000 2.153 353 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 353 E C 2.629 179.255 176.600 0.043 0.000 0.988 353 E CA 0.527 56.964 56.400 0.062 0.000 0.811 353 E CB -0.023 29.712 29.700 0.057 0.000 0.746 353 E HN 0.361 nan 8.360 nan 0.000 0.466 354 R N -1.081 119.445 120.500 0.043 0.000 2.193 354 R HA 0.029 4.369 4.340 -0.000 0.000 0.213 354 R C 1.095 177.388 176.300 -0.011 0.000 1.055 354 R CA 0.714 56.838 56.100 0.039 0.000 0.995 354 R CB 0.203 30.519 30.300 0.027 0.000 0.893 354 R HN 0.197 nan 8.270 nan 0.000 0.459 355 C N 0.275 119.508 119.300 -0.113 0.000 2.589 355 C HA 0.363 4.823 4.460 -0.000 0.000 0.307 355 C C 1.092 175.521 174.990 -0.935 0.000 1.328 355 C CA -0.123 58.663 59.018 -0.386 0.000 1.742 355 C CB -0.553 27.065 27.740 -0.204 0.000 2.037 355 C HN 0.731 nan 8.230 nan 0.000 0.592 356 G N 1.445 109.725 108.800 -0.867 0.000 2.176 356 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.252 356 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.252 356 G C 0.157 174.923 174.900 -0.222 0.000 1.024 356 G CA 0.666 45.345 45.100 -0.702 0.000 0.755 356 G HN 0.601 nan 8.290 nan 0.000 0.507 357 S N -0.896 114.763 115.700 -0.068 0.000 3.255 357 S HA 0.723 5.193 4.470 -0.000 0.000 0.305 357 S C -0.334 174.322 174.600 0.094 0.000 1.067 357 S CA 0.529 58.773 58.200 0.073 0.000 0.966 357 S CB 1.170 64.518 63.200 0.247 0.000 1.366 357 S HN 0.692 nan 8.310 nan 0.000 0.717 358 D N -0.036 120.444 120.400 0.133 0.000 2.621 358 D HA 0.410 5.050 4.640 -0.000 0.000 0.255 358 D C -0.113 176.236 176.300 0.081 0.000 1.122 358 D CA -0.601 53.463 54.000 0.106 0.000 1.096 358 D CB 0.259 41.129 40.800 0.115 0.000 1.282 358 D HN 0.448 nan 8.370 nan 0.000 0.619 359 K N -0.807 119.620 120.400 0.046 0.000 2.525 359 K HA 0.045 4.365 4.320 -0.000 0.000 0.192 359 K C 1.239 177.823 176.600 -0.027 0.000 1.029 359 K CA 0.456 56.751 56.287 0.014 0.000 1.029 359 K CB 0.130 32.637 32.500 0.012 0.000 0.814 359 K HN 0.275 nan 8.250 nan 0.000 0.503 360 K N -0.103 120.269 120.400 -0.046 0.000 2.314 360 K HA 0.027 4.347 4.320 -0.000 0.000 0.198 360 K C 0.031 176.400 176.600 -0.386 0.000 1.045 360 K CA 0.522 56.701 56.287 -0.180 0.000 0.988 360 K CB 0.194 32.563 32.500 -0.219 0.000 0.783 360 K HN 0.186 nan 8.250 nan 0.000 0.484 361 H N -0.675 118.219 119.070 -0.293 0.000 2.573 361 H HA 0.340 4.896 4.556 -0.000 0.000 0.351 361 H C -0.694 174.317 175.328 -0.528 0.000 1.163 361 H CA -0.917 54.754 56.048 -0.627 0.000 1.205 361 H CB 1.768 30.788 29.762 -1.238 0.000 1.605 361 H HN -0.176 nan 8.280 nan 0.000 0.525 362 V N -0.272 119.391 119.914 -0.419 0.000 3.007 362 V HA 0.565 4.685 4.120 -0.000 0.000 0.311 362 V C -0.384 175.686 176.094 -0.040 0.000 1.120 362 V CA -1.277 60.916 62.300 -0.178 0.000 0.980 362 V CB 2.156 33.928 31.823 -0.085 0.000 1.033 362 V HN 0.740 nan 8.190 nan 0.000 0.429 363 R N 1.599 122.218 120.500 0.198 0.000 2.229 363 R HA 0.791 5.131 4.340 -0.000 0.000 0.328 363 R C -1.478 174.873 176.300 0.085 0.000 1.009 363 R CA -0.336 55.932 56.100 0.280 0.000 0.864 363 R CB 1.645 32.045 30.300 0.165 0.000 1.085 363 R HN 0.870 nan 8.270 nan 0.000 0.453 364 V N 3.157 123.145 119.914 0.124 0.000 2.789 364 V HA 0.351 4.471 4.120 -0.000 0.000 0.311 364 V C -0.769 175.431 176.094 0.178 0.000 1.073 364 V CA -0.505 61.795 62.300 -0.001 0.000 0.921 364 V CB 2.325 33.993 31.823 -0.257 0.000 1.009 364 V HN 0.863 nan 8.190 nan 0.000 0.426 365 S N 6.307 122.069 115.700 0.103 0.000 2.499 365 S HA 0.365 4.835 4.470 -0.000 0.000 0.275 365 S C 0.653 175.179 174.600 -0.122 0.000 1.257 365 S CA -0.569 57.684 58.200 0.088 0.000 1.050 365 S CB 0.672 63.899 63.200 0.045 0.000 0.937 365 S HN 0.726 nan 8.310 nan 0.000 0.490 366 M N 5.121 124.574 119.600 -0.246 0.000 2.428 366 M HA 0.237 4.717 4.480 -0.000 0.000 0.239 366 M C 0.342 176.436 176.300 -0.343 0.000 1.121 366 M CA 0.530 55.641 55.300 -0.315 0.000 1.019 366 M CB -0.389 32.041 32.600 -0.282 0.000 1.485 366 M HN 0.598 nan 8.290 nan 0.000 0.484 367 L N -0.041 121.017 121.223 -0.274 0.000 2.818 367 L HA 0.152 4.492 4.340 -0.000 0.000 0.243 367 L C 1.206 177.986 176.870 -0.150 0.000 1.185 367 L CA -0.289 54.416 54.840 -0.225 0.000 0.988 367 L CB -0.105 41.853 42.059 -0.168 0.000 1.292 367 L HN 0.171 nan 8.230 nan 0.000 0.519 368 S N -0.681 114.956 115.700 -0.105 0.000 2.632 368 S HA 0.366 4.836 4.470 -0.000 0.000 0.267 368 S C 0.351 174.944 174.600 -0.012 0.000 1.193 368 S CA -0.602 57.591 58.200 -0.012 0.000 1.003 368 S CB 1.188 64.408 63.200 0.032 0.000 1.073 368 S HN 0.175 nan 8.310 nan 0.000 0.553 369 R N 0.172 120.704 120.500 0.052 0.000 2.707 369 R HA 0.234 4.574 4.340 -0.000 0.000 0.270 369 R C 1.624 177.977 176.300 0.088 0.000 1.083 369 R CA -0.040 56.095 56.100 0.059 0.000 1.182 369 R CB 0.156 30.509 30.300 0.087 0.000 1.084 369 R HN 0.749 nan 8.270 nan 0.000 0.528 370 E N 1.289 121.535 120.200 0.076 0.000 2.000 370 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 370 E C 1.391 178.081 176.600 0.150 0.000 1.011 370 E CA 2.332 58.796 56.400 0.108 0.000 0.836 370 E CB -0.392 29.349 29.700 0.068 0.000 0.778 370 E HN 0.771 nan 8.360 nan 0.000 0.462 371 D N 0.617 121.070 120.400 0.088 0.000 2.133 371 D HA -0.178 4.462 4.640 -0.000 0.000 0.192 371 D C 2.047 178.405 176.300 0.097 0.000 1.001 371 D CA 1.508 55.541 54.000 0.054 0.000 0.844 371 D CB -0.813 39.983 40.800 -0.006 0.000 0.944 371 D HN 0.066 nan 8.370 nan 0.000 0.447 372 V N -0.170 119.837 119.914 0.156 0.000 2.324 372 V HA -0.280 3.840 4.120 -0.000 0.000 0.250 372 V C 2.163 178.399 176.094 0.237 0.000 1.060 372 V CA 1.823 64.267 62.300 0.240 0.000 1.042 372 V CB -0.783 31.185 31.823 0.242 0.000 0.650 372 V HN 0.166 nan 8.190 nan 0.000 0.450 373 F N 1.824 121.822 119.950 0.080 0.000 2.113 373 F HA -0.117 4.410 4.527 -0.000 0.000 0.297 373 F C 2.349 178.212 175.800 0.104 0.000 1.103 373 F CA 1.720 59.777 58.000 0.096 0.000 1.248 373 F CB -0.521 38.491 39.000 0.021 0.000 0.999 373 F HN 0.183 nan 8.300 nan 0.000 0.475 374 N N 0.908 119.585 118.700 -0.038 0.000 2.021 374 N HA -0.222 4.518 4.740 -0.000 0.000 0.198 374 N C 2.081 177.507 175.510 -0.140 0.000 1.041 374 N CA 2.144 55.111 53.050 -0.137 0.000 0.862 374 N CB -1.188 37.275 38.487 -0.039 0.000 1.048 374 N HN 0.263 nan 8.380 nan 0.000 0.427 375 V N 1.325 121.222 119.914 -0.028 0.000 2.439 375 V HA -0.242 3.878 4.120 -0.000 0.000 0.253 375 V C 2.010 178.120 176.094 0.026 0.000 1.074 375 V CA 1.652 63.962 62.300 0.016 0.000 1.076 375 V CB -0.773 31.108 31.823 0.097 0.000 0.664 375 V HN 0.282 nan 8.190 nan 0.000 0.461 376 F N -0.283 119.585 119.950 -0.137 0.000 2.259 376 F HA -0.051 4.476 4.527 0.000 0.000 0.298 376 F C 1.959 177.587 175.800 -0.286 0.000 1.088 376 F CA 1.277 59.165 58.000 -0.187 0.000 1.358 376 F CB -0.016 38.877 39.000 -0.178 0.000 1.040 376 F HN 0.041 nan 8.300 nan 0.000 0.505 377 L N 0.307 121.132 121.223 -0.663 0.000 2.027 377 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 377 L C 2.398 178.999 176.870 -0.448 0.000 1.074 377 L CA 1.443 55.856 54.840 -0.712 0.000 0.745 377 L CB -0.861 40.842 42.059 -0.592 0.000 0.898 377 L HN 0.148 nan 8.230 nan 0.000 0.433 378 E N 0.303 120.331 120.200 -0.286 0.000 2.048 378 E HA -0.280 4.070 4.350 -0.000 0.000 0.202 378 E C 2.327 178.833 176.600 -0.157 0.000 1.021 378 E CA 1.565 57.862 56.400 -0.171 0.000 0.825 378 E CB -0.154 29.486 29.700 -0.100 0.000 0.756 378 E HN 0.403 nan 8.360 nan 0.000 0.454 379 R N 0.318 120.729 120.500 -0.150 0.000 2.148 379 R HA -0.045 4.295 4.340 -0.000 0.000 0.227 379 R C 2.485 178.662 176.300 -0.206 0.000 1.103 379 R CA 0.524 56.567 56.100 -0.096 0.000 0.983 379 R CB -0.180 30.120 30.300 -0.000 0.000 0.874 379 R HN 0.242 nan 8.270 nan 0.000 0.451 380 L N 0.120 121.109 121.223 -0.390 0.000 2.072 380 L HA -0.076 4.264 4.340 -0.000 0.000 0.205 380 L C 2.290 179.046 176.870 -0.190 0.000 1.079 380 L CA 1.102 55.658 54.840 -0.473 0.000 0.752 380 L CB -0.436 41.078 42.059 -0.908 0.000 0.906 380 L HN 0.199 nan 8.230 nan 0.000 0.436 381 A N 0.526 123.232 122.820 -0.190 0.000 1.835 381 A HA -0.261 4.059 4.320 -0.000 0.000 0.215 381 A C 1.780 179.342 177.584 -0.037 0.000 1.199 381 A CA 2.023 54.008 52.037 -0.086 0.000 0.615 381 A CB -1.028 17.906 19.000 -0.109 0.000 0.838 381 A HN 0.583 nan 8.150 nan 0.000 0.444 382 N N 0.138 118.809 118.700 -0.049 0.000 2.519 382 N HA -0.028 4.712 4.740 -0.000 0.000 0.186 382 N C 0.742 176.262 175.510 0.017 0.000 1.062 382 N CA 0.673 53.717 53.050 -0.011 0.000 0.910 382 N CB -0.469 38.017 38.487 -0.001 0.000 0.958 382 N HN 0.754 nan 8.380 nan 0.000 0.445 383 M N -0.141 119.452 119.600 -0.010 0.000 2.291 383 M HA 0.504 4.984 4.480 -0.000 0.000 0.324 383 M C -0.389 175.910 176.300 -0.002 0.000 1.148 383 M CA -0.368 54.921 55.300 -0.018 0.000 1.104 383 M CB 1.518 33.934 32.600 -0.307 0.000 1.483 383 M HN -0.331 nan 8.290 nan 0.000 0.467 384 K N 1.679 122.077 120.400 -0.002 0.000 2.536 384 K HA 0.786 5.106 4.320 -0.000 0.000 0.269 384 K C -2.138 174.431 176.600 -0.051 0.000 0.965 384 K CA -0.484 55.767 56.287 -0.061 0.000 0.860 384 K CB 1.999 34.472 32.500 -0.045 0.000 1.423 384 K HN 0.763 nan 8.250 nan 0.000 0.438 385 L N 0.000 121.156 121.223 -0.112 0.000 2.949 385 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 385 L CA 0.000 54.786 54.840 -0.089 0.000 0.813 385 L CB 0.000 41.975 42.059 -0.141 0.000 0.961 385 L HN 0.000 nan 8.230 nan 0.000 0.502