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 1ah0_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASHLVLYTGA KMPILGLGTW KSPPGKVTEA VKVAIDLGYR HIDCAHVYQN DATA SEQUENCE ENEVGLGLQE KLQGQVVKRE DLFIVSKLWC TDHEKNLVKG ACQTTLRDLK DATA SEQUENCE LDYLDLYLIH WPTGFKPGKD PFPLDGDGNV VPDESDFVET WEAMEELVDE DATA SEQUENCE GLVKAIGVSN FNHLQVEKIL NKPGLKYKPA VNQIEVHPYL TQEKLIEYCK DATA SEQUENCE SKGIVVTAYS PLGSPDRPWA KPEDPSLLED PRIKAIAAKY NKTTAQVLIR DATA SEQUENCE FPMQRNLIVI PKSVTPERIA ENFQVFDFEL SPEDMNTLLS YNRNWRVCAL DATA SEQUENCE MSCASHKDYP FHEEY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.618 177.584 0.056 0.000 1.274 1 A CA 0.000 51.969 52.037 -0.113 0.000 0.836 1 A CB 0.000 18.864 19.000 -0.226 0.000 0.831 2 S N -2.635 113.128 115.700 0.104 0.000 3.146 2 S HA -0.268 nan 4.470 nan 0.000 0.285 2 S C -1.827 172.917 174.600 0.241 0.000 1.293 2 S CA 1.196 59.531 58.200 0.224 0.000 1.137 2 S CB -0.463 62.797 63.200 0.100 0.000 1.357 2 S HN 0.525 8.882 8.310 0.078 0.000 0.678 3 H N -6.613 112.475 119.070 0.031 0.000 3.005 3 H HA 0.604 nan 4.556 nan 0.000 0.311 3 H C -2.787 172.514 175.328 -0.044 0.000 1.366 3 H CA -0.964 55.071 56.048 -0.022 0.000 1.210 3 H CB 1.274 31.011 29.762 -0.042 0.000 1.894 3 H HN -0.779 7.489 8.280 -0.061 -0.024 0.520 4 L N -0.867 120.260 121.223 -0.160 0.000 2.298 4 L HA 0.579 nan 4.340 nan 0.000 0.268 4 L C -1.110 175.733 176.870 -0.045 0.000 1.010 4 L CA -1.810 52.913 54.840 -0.196 0.000 0.812 4 L CB 3.280 45.266 42.059 -0.121 0.000 1.331 4 L HN 0.393 8.592 8.230 -0.052 0.000 0.450 5 V N -0.310 119.590 119.914 -0.024 0.000 2.588 5 V HA 0.543 nan 4.120 nan 0.000 0.304 5 V C -0.750 175.361 176.094 0.028 0.000 1.042 5 V CA -1.389 60.942 62.300 0.051 0.000 0.877 5 V CB 2.226 34.093 31.823 0.074 0.000 0.996 5 V HN -0.088 8.070 8.190 -0.053 0.000 0.425 6 L N 3.746 124.986 121.223 0.028 0.000 2.439 6 L HA 0.446 nan 4.340 nan 0.000 0.259 6 L C 1.121 178.029 176.870 0.062 0.000 1.129 6 L CA -0.930 53.941 54.840 0.053 0.000 0.803 6 L CB 0.962 43.036 42.059 0.026 0.000 1.161 6 L HN 0.470 8.714 8.230 0.023 0.000 0.462 7 Y N -1.025 119.296 120.300 0.036 0.000 2.651 7 Y HA -0.282 nan 4.550 nan 0.000 0.296 7 Y C -0.345 175.584 175.900 0.048 0.000 1.150 7 Y CA 1.912 60.034 58.100 0.037 0.000 1.348 7 Y CB -0.670 37.814 38.460 0.039 0.000 0.983 7 Y HN 0.648 9.169 8.280 0.401 0.000 0.555 8 T N -7.329 106.952 114.554 -0.455 0.000 3.054 8 T HA -0.081 nan 4.350 nan 0.000 0.259 8 T C 0.992 175.611 174.700 -0.135 0.000 1.092 8 T CA -0.005 61.871 62.100 -0.374 0.000 1.121 8 T CB 0.337 68.957 68.868 -0.413 0.000 0.912 8 T HN -0.416 7.503 8.240 -0.404 0.078 0.489 9 G N 2.084 110.840 108.800 -0.073 0.000 2.278 9 G HA2 -0.285 nan 3.960 nan 0.000 0.210 9 G HA3 -0.285 nan 3.960 nan 0.000 0.210 9 G C -1.090 173.811 174.900 0.000 0.000 1.000 9 G CA -0.237 44.852 45.100 -0.018 0.000 0.635 9 G HN -0.150 7.935 8.290 -0.078 0.159 0.495 10 A N 2.030 124.849 122.820 -0.001 0.000 2.520 10 A HA -0.020 nan 4.320 nan 0.000 0.245 10 A C -1.044 176.574 177.584 0.056 0.000 1.072 10 A CA 0.443 52.515 52.037 0.057 0.000 0.761 10 A CB 0.647 19.730 19.000 0.138 0.000 1.004 10 A HN -0.566 7.497 8.150 -0.040 0.064 0.499 11 K N 4.492 124.912 120.400 0.033 0.000 2.316 11 K HA 0.116 nan 4.320 nan 0.000 0.289 11 K C -0.911 175.607 176.600 -0.137 0.000 1.070 11 K CA 0.025 56.302 56.287 -0.016 0.000 0.928 11 K CB 0.414 32.767 32.500 -0.246 0.000 1.039 11 K HN 0.367 8.640 8.250 0.039 0.000 0.480 12 M N 7.487 126.935 119.600 -0.254 0.000 2.055 12 M HA 0.346 nan 4.480 nan 0.000 0.347 12 M C -2.522 173.552 176.300 -0.377 0.000 1.123 12 M CA -2.596 52.242 55.300 -0.770 0.000 1.035 12 M CB 1.440 33.578 32.600 -0.770 0.000 1.484 12 M HN 0.439 8.692 8.290 -0.062 0.000 0.428 13 P HA -0.222 nan 4.420 nan 0.000 0.261 13 P C -0.562 176.798 177.300 0.100 0.000 1.173 13 P CA 0.774 63.892 63.100 0.031 0.000 0.760 13 P CB 0.091 31.888 31.700 0.161 0.000 0.783 14 I N 3.385 124.049 120.570 0.157 0.000 2.617 14 I HA -0.235 nan 4.170 nan 0.000 0.256 14 I C -1.368 174.837 176.117 0.148 0.000 1.167 14 I CA 1.918 63.285 61.300 0.111 0.000 1.469 14 I CB 1.056 39.091 38.000 0.057 0.000 1.098 14 I HN -0.231 8.100 8.210 0.201 0.000 0.436 15 L N -4.109 117.248 121.223 0.224 0.000 2.334 15 L HA 0.569 nan 4.340 nan 0.000 0.276 15 L C -1.340 175.665 176.870 0.225 0.000 1.014 15 L CA -1.139 53.797 54.840 0.160 0.000 0.815 15 L CB 2.824 44.941 42.059 0.097 0.000 1.268 15 L HN -0.634 7.777 8.230 0.303 0.000 0.428 16 G N 2.785 111.650 108.800 0.109 0.000 2.690 16 G HA2 0.333 nan 3.960 nan 0.000 0.291 16 G HA3 0.333 nan 3.960 nan 0.000 0.291 16 G C -2.655 172.351 174.900 0.175 0.000 1.403 16 G CA -0.727 44.331 45.100 -0.071 0.000 0.864 16 G HN 0.002 8.360 8.290 0.114 0.000 0.480 17 L N -0.136 121.178 121.223 0.152 0.000 2.292 17 L HA 0.265 nan 4.340 nan 0.000 0.284 17 L C -1.119 175.772 176.870 0.035 0.000 1.065 17 L CA -1.543 53.326 54.840 0.049 0.000 0.806 17 L CB 2.418 44.372 42.059 -0.175 0.000 1.175 17 L HN 0.162 8.457 8.230 0.109 0.000 0.431 18 G N 3.200 112.039 108.800 0.065 0.000 2.367 18 G HA2 0.412 nan 3.960 nan 0.000 0.314 18 G HA3 0.412 nan 3.960 nan 0.000 0.314 18 G C -1.437 173.513 174.900 0.084 0.000 1.130 18 G CA -0.534 44.629 45.100 0.105 0.000 0.864 18 G HN -0.131 8.105 8.290 0.067 0.094 0.486 19 T N -3.128 111.514 114.554 0.147 0.000 3.132 19 T HA 0.205 nan 4.350 nan 0.000 0.274 19 T C -0.040 174.659 174.700 -0.002 0.000 1.011 19 T CA -1.675 60.493 62.100 0.114 0.000 0.899 19 T CB 0.553 69.540 68.868 0.200 0.000 1.089 19 T HN -0.438 7.953 8.240 0.252 0.000 0.543 20 W N 2.716 123.698 121.300 -0.530 0.000 2.216 20 W HA -0.132 nan 4.660 nan 0.000 0.326 20 W C 0.105 176.388 176.519 -0.394 0.000 1.319 20 W CA -0.474 56.311 57.345 -0.932 0.000 1.213 20 W CB 0.139 28.982 29.460 -1.028 0.000 1.171 20 W HN -0.443 7.696 8.180 -0.069 0.000 0.557 21 K N 1.188 121.218 120.400 -0.617 0.000 3.547 21 K HA -0.512 nan 4.320 nan 0.000 0.309 21 K C -1.110 175.320 176.600 -0.283 0.000 1.324 21 K CA 1.344 57.285 56.287 -0.577 0.000 0.988 21 K CB -1.132 30.882 32.500 -0.809 0.000 1.261 21 K HN 0.166 8.203 8.250 -0.355 0.000 0.444 22 S N 1.749 117.347 115.700 -0.169 0.000 2.405 22 S HA 0.111 nan 4.470 nan 0.000 0.291 22 S C -1.361 173.205 174.600 -0.057 0.000 1.137 22 S CA -1.078 57.064 58.200 -0.096 0.000 1.061 22 S CB 0.346 63.517 63.200 -0.049 0.000 1.001 22 S HN -0.611 7.553 8.310 -0.144 0.060 0.507 23 P HA 0.229 nan 4.420 nan 0.000 0.269 23 P C -1.383 175.904 177.300 -0.022 0.000 1.209 23 P CA -1.265 61.809 63.100 -0.043 0.000 0.776 23 P CB -0.148 31.519 31.700 -0.054 0.000 0.876 24 P HA -0.227 nan 4.420 nan 0.000 0.216 24 P C 1.478 178.773 177.300 -0.009 0.000 1.157 24 P CA 3.058 66.157 63.100 -0.002 0.000 0.880 24 P CB -0.057 31.645 31.700 0.002 0.000 0.791 25 G N -6.812 101.980 108.800 -0.014 0.000 2.776 25 G HA2 -0.107 nan 3.960 nan 0.000 0.209 25 G HA3 -0.107 nan 3.960 nan 0.000 0.209 25 G C 0.723 175.610 174.900 -0.021 0.000 1.145 25 G CA 0.723 45.814 45.100 -0.016 0.000 0.791 25 G HN 0.135 8.417 8.290 -0.013 0.000 0.530 26 K N -0.976 119.409 120.400 -0.026 0.000 2.365 26 K HA 0.235 nan 4.320 nan 0.000 0.195 26 K C 0.917 177.497 176.600 -0.034 0.000 1.079 26 K CA 0.798 57.066 56.287 -0.033 0.000 0.979 26 K CB 1.285 33.760 32.500 -0.041 0.000 0.929 26 K HN -0.431 7.621 8.250 -0.025 0.183 0.523 27 V N 0.962 120.860 119.914 -0.027 0.000 2.626 27 V HA -0.292 nan 4.120 nan 0.000 0.252 27 V C 0.921 177.000 176.094 -0.025 0.000 1.067 27 V CA 3.794 66.080 62.300 -0.024 0.000 1.081 27 V CB -0.336 31.485 31.823 -0.002 0.000 0.686 27 V HN 0.225 8.401 8.190 -0.022 0.000 0.468 28 T N 1.588 116.130 114.554 -0.021 0.000 2.821 28 T HA -0.272 nan 4.350 nan 0.000 0.267 28 T C 1.689 176.370 174.700 -0.032 0.000 1.046 28 T CA 5.243 67.329 62.100 -0.022 0.000 1.139 28 T CB -0.578 68.280 68.868 -0.017 0.000 0.871 28 T HN -0.217 8.012 8.240 -0.018 0.000 0.454 29 E N 1.595 121.775 120.200 -0.034 0.000 2.072 29 E HA -0.241 nan 4.350 nan 0.000 0.191 29 E C 1.422 177.988 176.600 -0.056 0.000 0.985 29 E CA 2.325 58.701 56.400 -0.040 0.000 0.801 29 E CB -0.738 28.942 29.700 -0.034 0.000 0.750 29 E HN -0.210 8.132 8.360 -0.030 0.000 0.452 30 A N -0.296 122.485 122.820 -0.064 0.000 1.892 30 A HA -0.297 nan 4.320 nan 0.000 0.218 30 A C 2.318 179.826 177.584 -0.127 0.000 1.188 30 A CA 3.408 55.388 52.037 -0.095 0.000 0.631 30 A CB -0.799 18.148 19.000 -0.090 0.000 0.822 30 A HN -0.068 8.050 8.150 -0.054 0.000 0.447 31 V N -1.080 118.777 119.914 -0.096 0.000 2.287 31 V HA -0.553 nan 4.120 nan 0.000 0.248 31 V C 2.184 178.224 176.094 -0.090 0.000 1.053 31 V CA 4.704 66.948 62.300 -0.094 0.000 1.027 31 V CB -0.976 30.818 31.823 -0.048 0.000 0.646 31 V HN -0.078 8.070 8.190 -0.070 0.000 0.447 32 K N -0.855 119.504 120.400 -0.068 0.000 2.026 32 K HA -0.375 nan 4.320 nan 0.000 0.208 32 K C 2.154 178.713 176.600 -0.069 0.000 1.048 32 K CA 3.637 59.890 56.287 -0.056 0.000 0.929 32 K CB -0.388 32.087 32.500 -0.042 0.000 0.713 32 K HN -0.489 7.726 8.250 -0.060 0.000 0.439 33 V N -0.426 119.438 119.914 -0.083 0.000 2.287 33 V HA -0.429 nan 4.120 nan 0.000 0.248 33 V C 1.938 177.959 176.094 -0.122 0.000 1.053 33 V CA 4.283 66.531 62.300 -0.086 0.000 1.027 33 V CB -0.905 30.868 31.823 -0.084 0.000 0.646 33 V HN 0.153 8.293 8.190 -0.083 0.000 0.447 34 A N -0.716 121.975 122.820 -0.214 0.000 1.883 34 A HA -0.372 nan 4.320 nan 0.000 0.217 34 A C 2.008 179.512 177.584 -0.132 0.000 1.186 34 A CA 3.413 55.235 52.037 -0.359 0.000 0.624 34 A CB -0.822 17.784 19.000 -0.657 0.000 0.822 34 A HN -0.078 7.944 8.150 -0.213 0.000 0.444 35 I N -2.430 118.089 120.570 -0.086 0.000 2.315 35 I HA -0.562 nan 4.170 nan 0.000 0.248 35 I C 2.055 178.143 176.117 -0.048 0.000 1.117 35 I CA 4.050 65.332 61.300 -0.030 0.000 1.404 35 I CB -0.422 37.567 38.000 -0.017 0.000 1.071 35 I HN -0.038 8.110 8.210 -0.103 0.000 0.419 36 D N 0.529 120.896 120.400 -0.056 0.000 2.218 36 D HA -0.205 nan 4.640 nan 0.000 0.204 36 D C 1.846 178.104 176.300 -0.069 0.000 0.976 36 D CA 3.164 57.135 54.000 -0.048 0.000 0.853 36 D CB -0.220 40.557 40.800 -0.037 0.000 0.939 36 D HN -0.428 7.836 8.370 -0.061 0.070 0.481 37 L N -3.753 117.405 121.223 -0.109 0.000 2.554 37 L HA -0.025 nan 4.340 nan 0.000 0.226 37 L C 0.741 177.331 176.870 -0.467 0.000 1.137 37 L CA 0.600 55.326 54.840 -0.190 0.000 0.863 37 L CB 0.382 42.360 42.059 -0.135 0.000 0.985 37 L HN -0.223 7.824 8.230 -0.097 0.124 0.451 38 G N -3.087 105.507 108.800 -0.343 0.000 2.201 38 G HA2 -0.347 nan 3.960 nan 0.000 0.212 38 G HA3 -0.347 nan 3.960 nan 0.000 0.212 38 G C 0.010 174.740 174.900 -0.282 0.000 0.994 38 G CA -0.490 44.421 45.100 -0.316 0.000 0.644 38 G HN -0.525 7.470 8.290 -0.181 0.187 0.508 39 Y N 0.267 120.251 120.300 -0.526 0.000 2.620 39 Y HA -0.245 nan 4.550 nan 0.000 0.330 39 Y C 0.188 176.110 175.900 0.036 0.000 1.186 39 Y CA 1.460 59.499 58.100 -0.101 0.000 1.467 39 Y CB 0.273 38.691 38.460 -0.069 0.000 1.262 39 Y HN -0.099 8.083 8.280 -0.163 0.000 0.550 40 R N 1.840 122.522 120.500 0.302 0.000 2.565 40 R HA 0.126 nan 4.340 nan 0.000 0.347 40 R C -2.132 174.379 176.300 0.352 0.000 1.010 40 R CA -0.597 55.655 56.100 0.252 0.000 1.126 40 R CB 0.536 30.955 30.300 0.198 0.000 1.331 40 R HN 0.349 8.826 8.270 0.345 0.000 0.552 41 H N -0.695 118.546 119.070 0.284 0.000 2.689 41 H HA 0.648 nan 4.556 nan 0.000 0.346 41 H C -2.490 173.004 175.328 0.277 0.000 1.037 41 H CA -2.102 54.131 56.048 0.308 0.000 1.234 41 H CB 3.004 32.934 29.762 0.280 0.000 1.572 41 H HN -0.511 8.031 8.280 0.437 0.000 0.524 42 I N 5.480 126.251 120.570 0.336 0.000 2.498 42 I HA 0.452 nan 4.170 nan 0.000 0.290 42 I C -2.239 174.007 176.117 0.216 0.000 1.032 42 I CA -2.423 58.973 61.300 0.160 0.000 1.073 42 I CB 2.849 40.919 38.000 0.115 0.000 1.251 42 I HN 0.824 9.316 8.210 0.469 0.000 0.426 43 D N 7.144 127.628 120.400 0.140 0.000 2.280 43 D HA 0.490 nan 4.640 nan 0.000 0.236 43 D C -1.547 174.878 176.300 0.209 0.000 1.082 43 D CA -1.116 53.005 54.000 0.201 0.000 0.834 43 D CB 1.995 42.908 40.800 0.187 0.000 1.100 43 D HN 0.464 8.885 8.370 0.085 0.000 0.486 44 C N 4.307 123.696 119.300 0.147 0.000 3.161 44 C HA 1.008 nan 4.460 nan 0.000 0.330 44 C C -2.056 172.826 174.990 -0.181 0.000 1.396 44 C CA -2.594 56.476 59.018 0.086 0.000 1.536 44 C CB 4.541 32.319 27.740 0.062 0.000 1.978 44 C HN 0.495 8.692 8.230 0.121 0.105 0.454 45 A N -2.248 120.318 122.820 -0.423 0.000 2.582 45 A HA 0.302 nan 4.320 nan 0.000 0.297 45 A C -0.598 176.793 177.584 -0.322 0.000 1.059 45 A CA -0.061 51.646 52.037 -0.550 0.000 0.705 45 A CB 2.236 20.514 19.000 -1.205 0.000 1.279 45 A HN 0.112 8.100 8.150 -0.271 0.000 0.404 46 H N 6.062 125.052 119.070 -0.133 0.000 2.321 46 H HA -0.367 nan 4.556 nan 0.000 0.295 46 H C 1.597 176.854 175.328 -0.118 0.000 1.102 46 H CA 4.446 60.464 56.048 -0.050 0.000 1.266 46 H CB 0.256 30.052 29.762 0.057 0.000 1.363 46 H HN 0.413 8.769 8.280 0.127 0.000 0.492 47 V N -2.138 117.600 119.914 -0.293 0.000 3.078 47 V HA -0.245 nan 4.120 nan 0.000 0.265 47 V C 0.773 176.812 176.094 -0.092 0.000 1.122 47 V CA 1.789 63.800 62.300 -0.482 0.000 1.141 47 V CB -0.878 30.267 31.823 -1.130 0.000 0.735 47 V HN 0.180 8.269 8.190 -0.154 0.009 0.498 48 Y N -3.705 116.550 120.300 -0.076 0.000 2.583 48 Y HA -0.083 nan 4.550 nan 0.000 0.293 48 Y C 0.555 176.458 175.900 0.005 0.000 1.157 48 Y CA -1.893 56.246 58.100 0.066 0.000 1.315 48 Y CB -0.620 37.927 38.460 0.146 0.000 1.021 48 Y HN -0.501 7.496 8.280 -0.175 0.177 0.536 49 Q N -4.002 115.815 119.800 0.028 0.000 2.494 49 Q HA -0.334 nan 4.340 nan 0.000 0.266 49 Q C -1.057 174.956 176.000 0.022 0.000 1.053 49 Q CA 1.339 57.125 55.803 -0.028 0.000 1.029 49 Q CB -1.657 27.078 28.738 -0.005 0.000 1.423 49 Q HN -0.069 8.104 8.270 -0.090 0.043 0.516 50 N N -6.687 112.048 118.700 0.058 0.000 2.142 50 N HA 0.110 nan 4.740 nan 0.000 0.233 50 N C 0.168 175.711 175.510 0.054 0.000 1.335 50 N CA -0.533 52.553 53.050 0.060 0.000 0.837 50 N CB -0.530 38.008 38.487 0.085 0.000 1.238 50 N HN -0.103 8.291 8.380 0.078 0.032 0.501 51 E N 1.151 121.376 120.200 0.042 0.000 2.204 51 E HA -0.367 nan 4.350 nan 0.000 0.194 51 E C 1.177 177.792 176.600 0.026 0.000 0.989 51 E CA 3.424 59.848 56.400 0.040 0.000 0.824 51 E CB -0.651 29.075 29.700 0.043 0.000 0.756 51 E HN 0.334 8.709 8.360 0.024 0.000 0.477 52 N N -0.556 118.157 118.700 0.022 0.000 2.120 52 N HA -0.262 nan 4.740 nan 0.000 0.188 52 N C 2.182 177.696 175.510 0.008 0.000 1.024 52 N CA 3.311 56.369 53.050 0.013 0.000 0.852 52 N CB -0.193 38.302 38.487 0.013 0.000 1.003 52 N HN 0.293 8.668 8.380 0.023 0.019 0.424 53 E N 0.002 120.208 120.200 0.011 0.000 2.158 53 E HA -0.111 nan 4.350 nan 0.000 0.191 53 E C 2.979 179.582 176.600 0.005 0.000 0.982 53 E CA 2.632 59.035 56.400 0.006 0.000 0.823 53 E CB -0.049 29.655 29.700 0.007 0.000 0.766 53 E HN -0.515 7.734 8.360 0.018 0.122 0.468 54 V N 1.203 121.126 119.914 0.015 0.000 2.343 54 V HA -0.358 nan 4.120 nan 0.000 0.247 54 V C 1.811 177.904 176.094 -0.001 0.000 1.051 54 V CA 4.736 67.044 62.300 0.013 0.000 1.036 54 V CB -1.022 30.822 31.823 0.034 0.000 0.654 54 V HN 0.411 8.542 8.190 0.025 0.075 0.451 55 G N -0.581 108.217 108.800 -0.003 0.000 2.476 55 G HA2 -0.365 nan 3.960 nan 0.000 0.218 55 G HA3 -0.365 nan 3.960 nan 0.000 0.218 55 G C 1.002 175.892 174.900 -0.017 0.000 1.164 55 G CA 2.354 47.444 45.100 -0.015 0.000 0.768 55 G HN 0.278 8.389 8.290 0.004 0.181 0.560 56 L N 1.926 123.142 121.223 -0.012 0.000 2.013 56 L HA -0.329 nan 4.340 nan 0.000 0.212 56 L C 2.589 179.449 176.870 -0.016 0.000 1.073 56 L CA 2.511 57.343 54.840 -0.013 0.000 0.753 56 L CB -0.845 41.208 42.059 -0.010 0.000 0.890 56 L HN 0.244 8.469 8.230 -0.008 0.000 0.432 57 G N -2.304 106.486 108.800 -0.017 0.000 2.418 57 G HA2 -0.330 nan 3.960 nan 0.000 0.217 57 G HA3 -0.330 nan 3.960 nan 0.000 0.217 57 G C 1.452 176.339 174.900 -0.022 0.000 1.158 57 G CA 1.999 47.086 45.100 -0.021 0.000 0.771 57 G HN -0.636 7.645 8.290 -0.014 0.000 0.545 58 L N 1.368 122.578 121.223 -0.021 0.000 1.994 58 L HA -0.510 nan 4.340 nan 0.000 0.208 58 L C 1.770 178.624 176.870 -0.026 0.000 1.071 58 L CA 2.867 57.693 54.840 -0.024 0.000 0.745 58 L CB -0.560 41.480 42.059 -0.031 0.000 0.892 58 L HN -0.275 7.943 8.230 -0.020 0.000 0.431 59 Q N -0.864 118.920 119.800 -0.027 0.000 2.062 59 Q HA -0.538 nan 4.340 nan 0.000 0.209 59 Q C 2.018 178.006 176.000 -0.020 0.000 0.996 59 Q CA 3.706 59.494 55.803 -0.026 0.000 0.859 59 Q CB -0.322 28.402 28.738 -0.023 0.000 0.920 59 Q HN 0.179 8.433 8.270 -0.027 0.000 0.415 60 E N -0.854 119.336 120.200 -0.018 0.000 2.058 60 E HA -0.389 nan 4.350 nan 0.000 0.194 60 E C 2.556 179.147 176.600 -0.015 0.000 0.997 60 E CA 3.143 59.534 56.400 -0.015 0.000 0.801 60 E CB -0.177 29.514 29.700 -0.016 0.000 0.746 60 E HN -0.365 7.984 8.360 -0.019 0.000 0.450 61 K N -0.855 119.536 120.400 -0.016 0.000 2.147 61 K HA -0.229 nan 4.320 nan 0.000 0.205 61 K C 2.615 179.208 176.600 -0.011 0.000 1.049 61 K CA 2.332 58.611 56.287 -0.013 0.000 0.936 61 K CB -0.481 32.011 32.500 -0.014 0.000 0.722 61 K HN -0.619 7.620 8.250 -0.018 0.000 0.446 62 L N -1.749 119.465 121.223 -0.014 0.000 2.095 62 L HA -0.269 nan 4.340 nan 0.000 0.204 62 L C 2.792 179.656 176.870 -0.010 0.000 1.080 62 L CA 3.118 57.950 54.840 -0.013 0.000 0.759 62 L CB -0.013 42.033 42.059 -0.022 0.000 0.914 62 L HN 0.152 8.261 8.230 -0.017 0.111 0.439 63 Q N -0.826 118.967 119.800 -0.012 0.000 2.311 63 Q HA -0.111 nan 4.340 nan 0.000 0.203 63 Q C 1.908 177.903 176.000 -0.007 0.000 0.954 63 Q CA 2.346 58.143 55.803 -0.009 0.000 0.885 63 Q CB -0.290 28.442 28.738 -0.010 0.000 0.963 63 Q HN 0.523 8.784 8.270 -0.014 0.000 0.471 64 G N -1.139 107.656 108.800 -0.008 0.000 2.848 64 G HA2 -0.121 nan 3.960 nan 0.000 0.208 64 G HA3 -0.121 nan 3.960 nan 0.000 0.208 64 G C -0.756 174.141 174.900 -0.005 0.000 1.152 64 G CA -0.272 44.824 45.100 -0.007 0.000 0.789 64 G HN 0.072 8.237 8.290 -0.010 0.120 0.531 65 Q N -2.756 117.042 119.800 -0.004 0.000 2.450 65 Q HA -0.478 nan 4.340 nan 0.000 0.255 65 Q C 0.477 176.476 176.000 -0.001 0.000 1.003 65 Q CA 0.767 56.569 55.803 -0.002 0.000 1.097 65 Q CB -1.651 27.087 28.738 -0.001 0.000 1.544 65 Q HN -0.433 7.622 8.270 -0.005 0.211 0.531 66 V N -5.637 114.276 119.914 -0.002 0.000 2.871 66 V HA -0.145 nan 4.120 nan 0.000 0.256 66 V C -0.705 175.390 176.094 0.003 0.000 1.082 66 V CA 1.920 64.219 62.300 -0.002 0.000 1.105 66 V CB 0.239 32.058 31.823 -0.006 0.000 0.713 66 V HN -0.054 8.095 8.190 -0.004 0.038 0.473 67 V N -8.890 111.027 119.914 0.005 0.000 3.188 67 V HA 0.479 nan 4.120 nan 0.000 0.305 67 V C -1.807 174.293 176.094 0.011 0.000 1.232 67 V CA -2.527 59.780 62.300 0.012 0.000 1.043 67 V CB 2.673 34.507 31.823 0.018 0.000 1.068 67 V HN -0.786 7.366 8.190 0.002 0.039 0.439 68 K N -0.663 119.748 120.400 0.018 0.000 2.156 68 K HA 0.418 nan 4.320 nan 0.000 0.250 68 K C 0.997 177.612 176.600 0.026 0.000 0.955 68 K CA -2.266 54.032 56.287 0.019 0.000 0.855 68 K CB 2.665 35.179 32.500 0.023 0.000 1.101 68 K HN -0.242 8.199 8.250 0.024 -0.177 0.434 69 R N 3.205 123.719 120.500 0.024 0.000 2.117 69 R HA -0.317 nan 4.340 nan 0.000 0.243 69 R C 1.853 178.199 176.300 0.076 0.000 1.143 69 R CA 2.921 59.033 56.100 0.019 0.000 0.968 69 R CB -0.616 29.697 30.300 0.022 0.000 0.863 69 R HN 0.688 8.971 8.270 0.021 0.000 0.444 70 E N -2.209 118.048 120.200 0.095 0.000 2.338 70 E HA -0.194 nan 4.350 nan 0.000 0.197 70 E C 0.912 177.567 176.600 0.091 0.000 1.007 70 E CA 2.389 58.853 56.400 0.106 0.000 0.849 70 E CB -0.810 28.928 29.700 0.064 0.000 0.774 70 E HN 0.328 8.703 8.360 0.073 0.029 0.506 71 D N -2.939 117.506 120.400 0.074 0.000 2.340 71 D HA 0.073 nan 4.640 nan 0.000 0.217 71 D C -0.659 175.706 176.300 0.109 0.000 1.081 71 D CA 0.498 54.545 54.000 0.078 0.000 0.842 71 D CB 0.596 41.428 40.800 0.055 0.000 0.934 71 D HN -0.093 8.129 8.370 0.062 0.186 0.511 72 L N -0.428 120.860 121.223 0.108 0.000 2.334 72 L HA 0.334 nan 4.340 nan 0.000 0.276 72 L C -1.963 175.001 176.870 0.157 0.000 1.014 72 L CA -0.657 54.254 54.840 0.119 0.000 0.815 72 L CB 2.988 45.070 42.059 0.038 0.000 1.268 72 L HN -0.556 7.572 8.230 0.095 0.159 0.428 73 F N 6.836 126.838 119.950 0.087 0.000 2.434 73 F HA 0.307 nan 4.527 nan 0.000 0.367 73 F C -1.997 173.878 175.800 0.125 0.000 1.093 73 F CA -1.679 56.363 58.000 0.070 0.000 1.085 73 F CB 2.065 41.068 39.000 0.006 0.000 1.322 73 F HN 0.930 9.331 8.300 0.329 0.096 0.452 74 I N 7.301 127.817 120.570 -0.090 0.000 2.315 74 I HA 0.495 nan 4.170 nan 0.000 0.291 74 I C -1.559 174.528 176.117 -0.050 0.000 1.006 74 I CA -2.017 59.277 61.300 -0.009 0.000 1.265 74 I CB -0.195 37.746 38.000 -0.099 0.000 1.387 74 I HN 0.446 8.833 8.210 -0.269 -0.339 0.475 75 V N 7.992 127.982 119.914 0.128 0.000 2.547 75 V HA 0.673 nan 4.120 nan 0.000 0.299 75 V C -1.462 174.696 176.094 0.106 0.000 1.040 75 V CA -1.761 60.619 62.300 0.134 0.000 0.913 75 V CB 1.565 33.551 31.823 0.271 0.000 0.992 75 V HN 0.680 9.000 8.190 0.216 0.000 0.449 76 S N 4.209 119.987 115.700 0.129 0.000 2.732 76 S HA 0.558 nan 4.470 nan 0.000 0.293 76 S C -2.277 172.399 174.600 0.127 0.000 1.159 76 S CA -2.195 56.082 58.200 0.128 0.000 0.847 76 S CB 1.861 65.162 63.200 0.168 0.000 1.169 76 S HN 0.422 8.836 8.310 0.172 0.000 0.501 77 K N 0.264 120.675 120.400 0.017 0.000 2.482 77 K HA 0.520 nan 4.320 nan 0.000 0.251 77 K C -1.670 174.872 176.600 -0.097 0.000 0.936 77 K CA -1.320 54.846 56.287 -0.201 0.000 0.791 77 K CB 3.443 35.728 32.500 -0.358 0.000 1.213 77 K HN 0.309 8.602 8.250 0.071 0.000 0.428 78 L N 3.570 124.540 121.223 -0.422 0.000 2.433 78 L HA -0.013 nan 4.340 nan 0.000 0.275 78 L C -1.169 175.818 176.870 0.195 0.000 1.128 78 L CA -0.012 54.750 54.840 -0.129 0.000 0.875 78 L CB 0.923 42.781 42.059 -0.336 0.000 1.171 78 L HN 0.451 8.224 8.230 -0.761 0.000 0.463 79 W N 5.372 126.717 121.300 0.075 0.000 2.129 79 W HA 0.038 nan 4.660 nan 0.000 0.349 79 W C 0.917 177.404 176.519 -0.053 0.000 1.279 79 W CA -0.196 57.175 57.345 0.042 0.000 1.306 79 W CB 2.025 31.521 29.460 0.060 0.000 1.140 79 W HN 0.006 8.409 8.180 0.372 0.000 0.613 80 C N 2.782 121.111 119.300 -1.619 0.000 2.411 80 C HA -0.355 nan 4.460 nan 0.000 0.279 80 C C 2.386 176.780 174.990 -0.995 0.000 1.288 80 C CA 3.166 61.154 59.018 -1.718 0.000 1.764 80 C CB -0.960 24.981 27.740 -2.999 0.000 1.974 80 C HN 0.715 7.003 8.230 -3.236 0.000 0.498 81 T N -5.459 108.787 114.554 -0.514 0.000 3.160 81 T HA -0.144 nan 4.350 nan 0.000 0.257 81 T C 0.535 175.233 174.700 -0.004 0.000 1.147 81 T CA 1.775 63.821 62.100 -0.091 0.000 1.064 81 T CB -1.095 67.853 68.868 0.132 0.000 0.949 81 T HN 0.192 8.131 8.240 -0.502 0.000 0.526 82 D N 0.486 120.895 120.400 0.015 0.000 2.462 82 D HA 0.283 nan 4.640 nan 0.000 0.221 82 D C -0.112 176.275 176.300 0.145 0.000 1.173 82 D CA 0.232 54.286 54.000 0.090 0.000 0.831 82 D CB 0.472 41.331 40.800 0.098 0.000 1.001 82 D HN -0.185 7.966 8.370 -0.048 0.190 0.499 83 H N -1.354 117.687 119.070 -0.048 0.000 2.502 83 H HA -0.089 nan 4.556 nan 0.000 0.283 83 H C -0.242 175.099 175.328 0.022 0.000 1.015 83 H CA 1.092 57.132 56.048 -0.014 0.000 1.298 83 H CB 0.720 30.463 29.762 -0.032 0.000 1.411 83 H HN -0.841 7.440 8.280 0.122 0.072 0.556 84 E N -1.101 119.178 120.200 0.131 0.000 2.480 84 E HA -0.108 nan 4.350 nan 0.000 0.258 84 E C 0.743 177.381 176.600 0.064 0.000 0.984 84 E CA 0.674 57.125 56.400 0.085 0.000 0.930 84 E CB 0.108 29.846 29.700 0.064 0.000 0.936 84 E HN -0.238 8.193 8.360 0.118 0.000 0.466 85 K N 6.143 126.575 120.400 0.052 0.000 2.071 85 K HA -0.482 nan 4.320 nan 0.000 0.217 85 K C 1.608 178.226 176.600 0.030 0.000 1.054 85 K CA 4.261 60.571 56.287 0.038 0.000 0.937 85 K CB -0.337 32.183 32.500 0.033 0.000 0.719 85 K HN 0.674 8.957 8.250 0.055 0.000 0.454 86 N N -3.129 115.588 118.700 0.029 0.000 2.381 86 N HA -0.216 nan 4.740 nan 0.000 0.182 86 N C 1.420 176.945 175.510 0.025 0.000 1.025 86 N CA 2.523 55.586 53.050 0.023 0.000 0.888 86 N CB -1.236 37.264 38.487 0.021 0.000 0.965 86 N HN 0.165 8.551 8.380 0.032 0.014 0.438 87 L N -1.761 119.483 121.223 0.035 0.000 2.446 87 L HA 0.032 nan 4.340 nan 0.000 0.219 87 L C 1.341 178.236 176.870 0.040 0.000 1.116 87 L CA 1.212 56.074 54.840 0.037 0.000 0.844 87 L CB -0.174 41.914 42.059 0.048 0.000 0.970 87 L HN 0.075 8.180 8.230 0.041 0.150 0.457 88 V N 0.627 120.567 119.914 0.044 0.000 2.358 88 V HA -0.502 nan 4.120 nan 0.000 0.246 88 V C 1.823 177.951 176.094 0.058 0.000 1.047 88 V CA 4.681 67.018 62.300 0.062 0.000 1.035 88 V CB -0.923 30.926 31.823 0.043 0.000 0.658 88 V HN -0.361 7.810 8.190 0.038 0.042 0.452 89 K N -0.233 120.178 120.400 0.018 0.000 2.057 89 K HA -0.325 nan 4.320 nan 0.000 0.206 89 K C 1.980 178.565 176.600 -0.024 0.000 1.050 89 K CA 3.453 59.732 56.287 -0.013 0.000 0.935 89 K CB -0.509 31.979 32.500 -0.020 0.000 0.715 89 K HN -0.009 8.250 8.250 0.015 0.000 0.439 90 G N -2.225 106.569 108.800 -0.011 0.000 2.440 90 G HA2 -0.298 nan 3.960 nan 0.000 0.218 90 G HA3 -0.298 nan 3.960 nan 0.000 0.218 90 G C 0.719 175.601 174.900 -0.031 0.000 1.154 90 G CA 1.937 47.026 45.100 -0.018 0.000 0.767 90 G HN 0.080 8.370 8.290 -0.000 0.000 0.552 91 A N 0.647 123.460 122.820 -0.013 0.000 1.933 91 A HA -0.194 nan 4.320 nan 0.000 0.218 91 A C 1.607 179.185 177.584 -0.009 0.000 1.175 91 A CA 3.121 55.141 52.037 -0.028 0.000 0.628 91 A CB -0.679 18.345 19.000 0.039 0.000 0.814 91 A HN -0.301 7.856 8.150 0.012 0.000 0.444 92 C N -0.754 118.529 119.300 -0.029 0.000 2.446 92 C HA -0.333 nan 4.460 nan 0.000 0.277 92 C C 1.945 176.808 174.990 -0.212 0.000 1.275 92 C CA 3.204 62.057 59.018 -0.275 0.000 1.727 92 C CB -1.700 25.780 27.740 -0.433 0.000 2.010 92 C HN -0.103 8.053 8.230 0.009 0.079 0.486 93 Q N -0.771 118.953 119.800 -0.127 0.000 2.084 93 Q HA -0.420 nan 4.340 nan 0.000 0.202 93 Q C 2.631 178.591 176.000 -0.067 0.000 0.978 93 Q CA 3.706 59.452 55.803 -0.094 0.000 0.844 93 Q CB -0.159 28.541 28.738 -0.063 0.000 0.898 93 Q HN 0.330 8.469 8.270 -0.099 0.072 0.426 94 T N 2.773 117.296 114.554 -0.051 0.000 2.684 94 T HA -0.350 nan 4.350 nan 0.000 0.267 94 T C 2.071 176.771 174.700 -0.001 0.000 1.036 94 T CA 5.298 67.388 62.100 -0.018 0.000 1.148 94 T CB -0.650 68.205 68.868 -0.023 0.000 0.863 94 T HN 0.302 8.509 8.240 -0.055 0.000 0.436 95 T N 5.270 119.816 114.554 -0.015 0.000 2.746 95 T HA -0.256 nan 4.350 nan 0.000 0.267 95 T C 1.884 176.555 174.700 -0.049 0.000 1.039 95 T CA 5.220 67.323 62.100 0.005 0.000 1.142 95 T CB -0.674 68.197 68.868 0.005 0.000 0.866 95 T HN -0.525 7.688 8.240 -0.045 0.000 0.444 96 L N 0.395 121.557 121.223 -0.101 0.000 2.046 96 L HA -0.420 nan 4.340 nan 0.000 0.208 96 L C 1.775 178.604 176.870 -0.070 0.000 1.077 96 L CA 3.425 58.200 54.840 -0.108 0.000 0.747 96 L CB -0.551 41.434 42.059 -0.125 0.000 0.896 96 L HN 0.195 8.349 8.230 -0.126 0.000 0.432 97 R N -0.463 120.008 120.500 -0.048 0.000 2.073 97 R HA -0.407 nan 4.340 nan 0.000 0.234 97 R C 2.367 178.656 176.300 -0.018 0.000 1.134 97 R CA 3.783 59.865 56.100 -0.029 0.000 0.952 97 R CB -0.185 30.105 30.300 -0.017 0.000 0.850 97 R HN 0.193 8.359 8.270 -0.050 0.075 0.433 98 D N -0.312 120.088 120.400 -0.001 0.000 2.178 98 D HA -0.209 nan 4.640 nan 0.000 0.201 98 D C 2.279 178.575 176.300 -0.005 0.000 0.980 98 D CA 3.232 57.238 54.000 0.009 0.000 0.842 98 D CB -0.299 40.524 40.800 0.037 0.000 0.948 98 D HN 0.206 8.579 8.370 0.004 0.000 0.472 99 L N -3.522 117.688 121.223 -0.022 0.000 2.492 99 L HA -0.103 nan 4.340 nan 0.000 0.223 99 L C -0.891 175.947 176.870 -0.053 0.000 1.132 99 L CA -0.471 54.347 54.840 -0.037 0.000 0.850 99 L CB -0.164 41.862 42.059 -0.056 0.000 0.966 99 L HN -0.247 7.952 8.230 -0.027 0.015 0.454 100 K N -4.908 115.462 120.400 -0.050 0.000 3.150 100 K HA -0.376 nan 4.320 nan 0.000 0.267 100 K C -1.024 175.531 176.600 -0.076 0.000 1.028 100 K CA 0.708 56.965 56.287 -0.051 0.000 0.753 100 K CB -2.179 30.298 32.500 -0.038 0.000 1.288 100 K HN -0.376 7.662 8.250 -0.043 0.187 0.473 101 L N -1.345 119.817 121.223 -0.101 0.000 2.388 101 L HA 0.202 nan 4.340 nan 0.000 0.264 101 L C -0.660 176.129 176.870 -0.135 0.000 0.998 101 L CA -1.473 53.273 54.840 -0.156 0.000 0.817 101 L CB 2.089 44.016 42.059 -0.219 0.000 1.338 101 L HN -0.143 8.032 8.230 -0.092 0.000 0.414 102 D N 2.008 122.334 120.400 -0.123 0.000 2.249 102 D HA -0.058 nan 4.640 nan 0.000 0.205 102 D C -1.545 174.770 176.300 0.025 0.000 0.962 102 D CA 2.446 56.432 54.000 -0.022 0.000 0.860 102 D CB 0.769 41.609 40.800 0.065 0.000 0.955 102 D HN 0.478 8.755 8.370 -0.156 0.000 0.505 103 Y N -8.591 111.640 120.300 -0.115 0.000 2.625 103 Y HA 0.544 nan 4.550 nan 0.000 0.338 103 Y C -2.299 173.502 175.900 -0.166 0.000 1.123 103 Y CA -3.400 54.612 58.100 -0.148 0.000 1.046 103 Y CB 2.111 40.486 38.460 -0.142 0.000 1.299 103 Y HN -1.077 6.957 8.280 -0.410 0.000 0.464 104 L N -1.451 119.721 121.223 -0.084 0.000 2.334 104 L HA 0.462 nan 4.340 nan 0.000 0.270 104 L C 0.425 177.264 176.870 -0.053 0.000 1.018 104 L CA -1.652 53.084 54.840 -0.172 0.000 0.811 104 L CB 1.451 43.411 42.059 -0.164 0.000 1.271 104 L HN 0.392 8.620 8.230 -0.004 0.000 0.443 105 D N 1.559 121.797 120.400 -0.270 0.000 2.240 105 D HA 0.041 nan 4.640 nan 0.000 0.206 105 D C -0.301 175.766 176.300 -0.389 0.000 0.963 105 D CA 2.921 56.631 54.000 -0.484 0.000 0.863 105 D CB 1.676 41.697 40.800 -1.298 0.000 0.973 105 D HN 0.105 8.271 8.370 -0.341 0.000 0.501 106 L N -3.954 117.132 121.223 -0.228 0.000 2.526 106 L HA 0.344 nan 4.340 nan 0.000 0.263 106 L C -2.938 173.995 176.870 0.105 0.000 0.943 106 L CA 0.121 54.958 54.840 -0.004 0.000 0.859 106 L CB 4.086 46.228 42.059 0.139 0.000 1.313 106 L HN -0.843 7.254 8.230 -0.220 0.000 0.406 107 Y N 6.184 126.445 120.300 -0.064 0.000 2.361 107 Y HA 0.622 nan 4.550 nan 0.000 0.337 107 Y C -2.439 173.435 175.900 -0.043 0.000 0.965 107 Y CA -2.487 55.574 58.100 -0.065 0.000 1.091 107 Y CB 2.965 41.368 38.460 -0.095 0.000 1.182 107 Y HN -0.074 8.285 8.280 0.131 0.000 0.450 108 L N 5.545 126.624 121.223 -0.240 0.000 2.334 108 L HA 0.584 nan 4.340 nan 0.000 0.276 108 L C -0.920 175.758 176.870 -0.320 0.000 1.014 108 L CA -1.830 52.884 54.840 -0.210 0.000 0.815 108 L CB 3.146 45.126 42.059 -0.133 0.000 1.268 108 L HN 0.597 8.672 8.230 -0.259 0.000 0.428 109 I N 0.967 121.425 120.570 -0.187 0.000 2.436 109 I HA -0.241 nan 4.170 nan 0.000 0.289 109 I C -0.125 176.010 176.117 0.030 0.000 1.083 109 I CA 0.817 62.054 61.300 -0.106 0.000 1.372 109 I CB -0.600 37.383 38.000 -0.028 0.000 1.408 109 I HN 0.149 8.286 8.210 -0.122 0.000 0.516 110 H N 8.099 127.167 119.070 -0.003 0.000 2.353 110 H HA -0.306 nan 4.556 nan 0.000 0.300 110 H C -1.219 174.033 175.328 -0.127 0.000 1.090 110 H CA 3.116 59.173 56.048 0.016 0.000 1.327 110 H CB 1.118 31.027 29.762 0.245 0.000 1.383 110 H HN -0.130 8.254 8.280 0.173 0.000 0.508 111 W N -8.418 112.944 121.300 0.104 0.000 3.107 111 W HA 0.222 nan 4.660 nan 0.000 0.331 111 W C -2.388 174.081 176.519 -0.084 0.000 1.204 111 W CA -2.848 54.445 57.345 -0.087 0.000 1.184 111 W CB 2.685 31.907 29.460 -0.396 0.000 1.421 111 W HN -0.682 7.688 8.180 0.316 0.000 0.544 112 P HA -0.086 nan 4.420 nan 0.000 0.223 112 P C -1.104 176.090 177.300 -0.176 0.000 1.151 112 P CA 1.136 63.913 63.100 -0.539 0.000 0.787 112 P CB 0.471 31.363 31.700 -1.346 0.000 0.788 113 T N -4.068 110.280 114.554 -0.343 0.000 2.751 113 T HA 0.008 nan 4.350 nan 0.000 0.290 113 T C -0.006 174.204 174.700 -0.818 0.000 0.919 113 T CA -0.842 60.856 62.100 -0.669 0.000 1.136 113 T CB -0.544 68.010 68.868 -0.523 0.000 0.875 113 T HN -0.626 7.431 8.240 -0.242 0.038 0.532 114 G N 4.304 112.789 108.800 -0.525 0.000 2.338 114 G HA2 0.337 nan 3.960 nan 0.000 0.298 114 G HA3 0.337 nan 3.960 nan 0.000 0.298 114 G C -2.117 172.757 174.900 -0.042 0.000 1.140 114 G CA -0.958 43.755 45.100 -0.644 0.000 0.860 114 G HN 0.030 8.204 8.290 -0.193 0.000 0.470 115 F N 3.195 122.973 119.950 -0.287 0.000 2.497 115 F HA 0.490 nan 4.527 nan 0.000 0.331 115 F C -0.632 175.113 175.800 -0.091 0.000 1.060 115 F CA -3.770 54.141 58.000 -0.149 0.000 0.989 115 F CB 2.860 41.737 39.000 -0.206 0.000 1.245 115 F HN 0.192 8.061 8.300 -0.512 0.124 0.486 116 K N 3.046 123.549 120.400 0.172 0.000 2.466 116 K HA -0.148 nan 4.320 nan 0.000 0.278 116 K C -1.014 175.647 176.600 0.101 0.000 1.048 116 K CA -0.918 55.426 56.287 0.095 0.000 1.088 116 K CB 0.171 32.707 32.500 0.061 0.000 0.884 116 K HN -0.060 8.190 8.250 0.165 0.099 0.478 117 P HA -0.052 nan 4.420 nan 0.000 0.267 117 P C -1.406 175.944 177.300 0.083 0.000 1.200 117 P CA 0.513 63.660 63.100 0.077 0.000 0.772 117 P CB 0.373 32.109 31.700 0.060 0.000 0.855 118 G N 0.701 109.560 108.800 0.098 0.000 2.359 118 G HA2 -0.197 nan 3.960 nan 0.000 0.293 118 G HA3 -0.197 nan 3.960 nan 0.000 0.293 118 G C -0.382 174.592 174.900 0.122 0.000 1.300 118 G CA -0.016 45.141 45.100 0.096 0.000 0.888 118 G HN -0.505 7.851 8.290 0.109 0.000 0.541 119 K N -0.977 119.490 120.400 0.112 0.000 2.296 119 K HA -0.058 nan 4.320 nan 0.000 0.200 119 K C -0.418 176.268 176.600 0.144 0.000 1.048 119 K CA 0.338 56.700 56.287 0.125 0.000 0.966 119 K CB -0.036 32.523 32.500 0.099 0.000 0.754 119 K HN 0.070 8.377 8.250 0.094 0.000 0.466 120 D N 0.232 120.718 120.400 0.145 0.000 2.343 120 D HA 0.129 nan 4.640 nan 0.000 0.255 120 D C -0.524 175.914 176.300 0.230 0.000 1.187 120 D CA -2.398 51.703 54.000 0.169 0.000 0.875 120 D CB 1.118 42.007 40.800 0.147 0.000 1.136 120 D HN -0.539 7.868 8.370 0.132 0.042 0.469 121 P HA -0.084 nan 4.420 nan 0.000 0.222 121 P C -1.177 176.284 177.300 0.269 0.000 1.147 121 P CA 1.065 64.348 63.100 0.305 0.000 0.790 121 P CB 0.751 32.472 31.700 0.034 0.000 0.780 122 F N -1.039 119.113 119.950 0.335 0.000 2.686 122 F HA 0.297 nan 4.527 nan 0.000 0.365 122 F C -2.904 172.893 175.800 -0.006 0.000 1.196 122 F CA -2.697 55.377 58.000 0.123 0.000 1.198 122 F CB 1.064 40.102 39.000 0.062 0.000 1.454 122 F HN -0.614 8.135 8.300 0.459 -0.174 0.539 123 P HA -0.021 nan 4.420 nan 0.000 0.264 123 P C -1.678 175.607 177.300 -0.024 0.000 1.229 123 P CA 0.031 63.159 63.100 0.046 0.000 0.780 123 P CB 0.052 31.777 31.700 0.043 0.000 0.808 124 L N 4.061 125.280 121.223 -0.007 0.000 2.334 124 L HA 0.502 nan 4.340 nan 0.000 0.275 124 L C -0.382 176.466 176.870 -0.037 0.000 1.036 124 L CA -1.451 53.363 54.840 -0.042 0.000 0.807 124 L CB 1.968 44.008 42.059 -0.032 0.000 1.231 124 L HN -0.119 8.123 8.230 0.021 0.000 0.438 125 D N 2.986 123.355 120.400 -0.051 0.000 2.466 125 D HA 0.171 nan 4.640 nan 0.000 0.262 125 D C 1.764 178.044 176.300 -0.034 0.000 1.177 125 D CA -1.485 52.491 54.000 -0.040 0.000 1.035 125 D CB 0.424 41.195 40.800 -0.048 0.000 1.105 125 D HN 0.556 8.884 8.370 -0.069 0.000 0.551 126 G N -1.739 107.045 108.800 -0.027 0.000 2.475 126 G HA2 -0.281 nan 3.960 nan 0.000 0.220 126 G HA3 -0.281 nan 3.960 nan 0.000 0.220 126 G C -0.344 174.539 174.900 -0.028 0.000 1.125 126 G CA 1.623 46.709 45.100 -0.023 0.000 0.755 126 G HN 0.325 8.600 8.290 -0.026 0.000 0.565 127 D N 0.097 120.476 120.400 -0.035 0.000 2.363 127 D HA -0.068 nan 4.640 nan 0.000 0.220 127 D C 1.060 177.331 176.300 -0.047 0.000 0.994 127 D CA 0.123 54.100 54.000 -0.039 0.000 0.890 127 D CB 0.034 40.808 40.800 -0.043 0.000 0.906 127 D HN -0.023 8.407 8.370 -0.038 -0.083 0.530 128 G N -1.275 107.494 108.800 -0.051 0.000 2.176 128 G HA2 -0.455 nan 3.960 nan 0.000 0.253 128 G HA3 -0.455 nan 3.960 nan 0.000 0.253 128 G C -0.347 174.502 174.900 -0.086 0.000 0.979 128 G CA 0.054 45.116 45.100 -0.062 0.000 0.641 128 G HN 0.127 8.225 8.290 -0.046 0.164 0.530 129 N N 0.424 119.070 118.700 -0.089 0.000 2.482 129 N HA 0.062 nan 4.740 nan 0.000 0.260 129 N C -0.489 174.938 175.510 -0.139 0.000 1.236 129 N CA 0.293 53.275 53.050 -0.114 0.000 0.938 129 N CB 1.013 39.438 38.487 -0.104 0.000 1.128 129 N HN -0.501 7.943 8.380 -0.075 -0.108 0.448 130 V N 1.042 120.836 119.914 -0.201 0.000 2.775 130 V HA 0.270 nan 4.120 nan 0.000 0.299 130 V C -0.413 175.537 176.094 -0.239 0.000 1.062 130 V CA 0.581 62.698 62.300 -0.305 0.000 1.063 130 V CB 0.403 31.847 31.823 -0.632 0.000 0.994 130 V HN -0.400 7.670 8.190 -0.200 0.000 0.483 131 V N 6.420 126.216 119.914 -0.197 0.000 2.432 131 V HA 0.370 nan 4.120 nan 0.000 0.271 131 V C -1.256 174.801 176.094 -0.062 0.000 1.046 131 V CA -2.898 59.337 62.300 -0.108 0.000 0.945 131 V CB -0.181 31.609 31.823 -0.056 0.000 0.992 131 V HN 0.535 8.597 8.190 -0.213 0.000 0.471 132 P HA 0.448 nan 4.420 nan 0.000 0.282 132 P C -1.956 175.354 177.300 0.016 0.000 1.286 132 P CA -0.205 62.862 63.100 -0.054 0.000 0.777 132 P CB 0.841 32.319 31.700 -0.370 0.000 1.184 133 D N -2.788 117.636 120.400 0.040 0.000 2.579 133 D HA 0.017 nan 4.640 nan 0.000 0.257 133 D C -0.337 175.982 176.300 0.031 0.000 1.176 133 D CA -1.635 52.390 54.000 0.041 0.000 0.914 133 D CB 1.813 42.651 40.800 0.065 0.000 1.431 133 D HN -0.146 8.253 8.370 0.049 0.000 0.454 134 E N -0.908 119.309 120.200 0.027 0.000 2.346 134 E HA 0.076 nan 4.350 nan 0.000 0.317 134 E C -1.317 175.307 176.600 0.040 0.000 1.404 134 E CA -0.308 56.106 56.400 0.023 0.000 1.534 134 E CB -1.720 27.989 29.700 0.014 0.000 1.309 134 E HN 0.350 8.726 8.360 0.028 0.000 0.499 135 S N -0.633 115.106 115.700 0.065 0.000 2.579 135 S HA 0.260 nan 4.470 nan 0.000 0.272 135 S C -1.366 173.281 174.600 0.079 0.000 1.141 135 S CA -1.388 56.858 58.200 0.077 0.000 0.843 135 S CB 2.848 66.120 63.200 0.120 0.000 1.122 135 S HN -0.328 8.034 8.310 0.076 -0.006 0.468 136 D N 2.538 122.954 120.400 0.026 0.000 2.350 136 D HA 0.441 nan 4.640 nan 0.000 0.245 136 D C 0.839 177.114 176.300 -0.041 0.000 1.036 136 D CA -0.712 53.234 54.000 -0.089 0.000 0.848 136 D CB 3.055 43.735 40.800 -0.200 0.000 1.307 136 D HN -0.104 8.546 8.370 0.027 -0.264 0.469 137 F N 0.887 120.899 119.950 0.102 0.000 2.408 137 F HA -0.175 nan 4.527 nan 0.000 0.300 137 F C 0.984 176.882 175.800 0.164 0.000 1.090 137 F CA 1.959 60.038 58.000 0.132 0.000 1.427 137 F CB -0.860 38.255 39.000 0.191 0.000 1.070 137 F HN 0.230 8.388 8.300 -0.236 0.000 0.549 138 V N 1.031 120.891 119.914 -0.089 0.000 2.343 138 V HA -0.431 nan 4.120 nan 0.000 0.247 138 V C 1.887 178.070 176.094 0.148 0.000 1.051 138 V CA 3.953 66.288 62.300 0.059 0.000 1.036 138 V CB -0.769 30.964 31.823 -0.151 0.000 0.654 138 V HN 0.044 7.854 8.190 -0.577 0.034 0.451 139 E N -1.872 118.373 120.200 0.075 0.000 2.072 139 E HA -0.383 nan 4.350 nan 0.000 0.191 139 E C 2.389 179.056 176.600 0.111 0.000 0.985 139 E CA 3.176 59.626 56.400 0.082 0.000 0.801 139 E CB -0.407 29.322 29.700 0.047 0.000 0.750 139 E HN -0.293 8.074 8.360 0.011 0.000 0.452 140 T N 2.641 117.270 114.554 0.125 0.000 2.665 140 T HA -0.313 nan 4.350 nan 0.000 0.268 140 T C 1.321 176.095 174.700 0.123 0.000 1.035 140 T CA 4.629 66.777 62.100 0.080 0.000 1.151 140 T CB -0.750 68.111 68.868 -0.011 0.000 0.862 140 T HN -0.607 7.709 8.240 0.127 0.000 0.438 141 W N 1.623 122.950 121.300 0.046 0.000 2.338 141 W HA -0.529 nan 4.660 nan 0.000 0.304 141 W C 1.224 177.780 176.519 0.063 0.000 1.212 141 W CA 3.241 60.621 57.345 0.058 0.000 1.264 141 W CB 0.191 29.713 29.460 0.104 0.000 1.142 141 W HN 0.347 8.675 8.180 0.430 0.110 0.512 142 E N -3.038 117.255 120.200 0.155 0.000 2.118 142 E HA -0.452 nan 4.350 nan 0.000 0.195 142 E C 2.241 178.830 176.600 -0.019 0.000 0.992 142 E CA 2.917 59.353 56.400 0.060 0.000 0.804 142 E CB -0.466 29.283 29.700 0.082 0.000 0.741 142 E HN -0.338 8.091 8.360 0.246 0.078 0.458 143 A N -0.728 122.080 122.820 -0.020 0.000 1.970 143 A HA -0.115 nan 4.320 nan 0.000 0.216 143 A C 2.206 179.738 177.584 -0.087 0.000 1.170 143 A CA 2.759 54.776 52.037 -0.033 0.000 0.645 143 A CB -0.597 18.400 19.000 -0.004 0.000 0.816 143 A HN -0.344 7.706 8.150 0.015 0.109 0.447 144 M N -1.812 117.680 119.600 -0.179 0.000 2.149 144 M HA -0.406 nan 4.480 nan 0.000 0.261 144 M C 2.516 178.618 176.300 -0.331 0.000 1.064 144 M CA 2.440 57.567 55.300 -0.288 0.000 1.102 144 M CB -1.054 31.191 32.600 -0.592 0.000 1.369 144 M HN 0.033 8.144 8.290 -0.169 0.078 0.408 145 E N -1.168 118.836 120.200 -0.326 0.000 2.150 145 E HA -0.334 nan 4.350 nan 0.000 0.193 145 E C 2.367 178.969 176.600 0.004 0.000 0.985 145 E CA 2.917 59.265 56.400 -0.087 0.000 0.814 145 E CB -0.492 29.243 29.700 0.060 0.000 0.752 145 E HN 0.095 8.217 8.360 -0.382 0.008 0.466 146 E N -0.579 119.603 120.200 -0.030 0.000 2.110 146 E HA -0.299 nan 4.350 nan 0.000 0.193 146 E C 2.261 178.831 176.600 -0.051 0.000 0.988 146 E CA 3.074 59.465 56.400 -0.015 0.000 0.804 146 E CB -0.264 29.424 29.700 -0.018 0.000 0.745 146 E HN -0.719 7.521 8.360 -0.056 0.086 0.458 147 L N -1.885 119.285 121.223 -0.088 0.000 2.083 147 L HA -0.239 nan 4.340 nan 0.000 0.209 147 L C 2.073 178.856 176.870 -0.144 0.000 1.083 147 L CA 3.157 57.931 54.840 -0.110 0.000 0.752 147 L CB -1.188 40.805 42.059 -0.110 0.000 0.899 147 L HN -0.705 7.355 8.230 -0.097 0.112 0.433 148 V N -0.837 118.952 119.914 -0.208 0.000 2.261 148 V HA -0.438 nan 4.120 nan 0.000 0.246 148 V C 3.009 178.994 176.094 -0.182 0.000 1.047 148 V CA 4.014 66.126 62.300 -0.312 0.000 1.015 148 V CB -0.758 30.621 31.823 -0.741 0.000 0.642 148 V HN -0.672 7.307 8.190 -0.215 0.082 0.446 149 D N 0.128 120.490 120.400 -0.063 0.000 2.190 149 D HA -0.204 nan 4.640 nan 0.000 0.200 149 D C 1.998 178.281 176.300 -0.029 0.000 0.992 149 D CA 2.881 56.886 54.000 0.009 0.000 0.854 149 D CB -0.466 40.369 40.800 0.058 0.000 0.936 149 D HN -0.203 8.148 8.370 -0.031 0.000 0.462 150 E N -3.653 116.517 120.200 -0.051 0.000 2.479 150 E HA 0.048 nan 4.350 nan 0.000 0.193 150 E C 0.598 177.156 176.600 -0.070 0.000 1.049 150 E CA -0.133 56.236 56.400 -0.052 0.000 0.870 150 E CB 0.432 30.103 29.700 -0.049 0.000 0.944 150 E HN -0.447 7.862 8.360 -0.059 0.015 0.492 151 G N -2.177 106.566 108.800 -0.096 0.000 2.136 151 G HA2 -0.368 nan 3.960 nan 0.000 0.242 151 G HA3 -0.368 nan 3.960 nan 0.000 0.242 151 G C 0.335 175.177 174.900 -0.098 0.000 0.989 151 G CA 0.882 45.913 45.100 -0.116 0.000 0.682 151 G HN -0.127 7.910 8.290 -0.107 0.188 0.522 152 L N -0.442 120.723 121.223 -0.096 0.000 2.179 152 L HA 0.017 nan 4.340 nan 0.000 0.208 152 L C -0.656 176.162 176.870 -0.087 0.000 1.096 152 L CA 1.895 56.681 54.840 -0.089 0.000 0.779 152 L CB 0.816 42.795 42.059 -0.133 0.000 0.922 152 L HN -0.128 8.003 8.230 -0.108 0.035 0.443 153 V N -9.311 110.531 119.914 -0.120 0.000 2.876 153 V HA 0.435 nan 4.120 nan 0.000 0.312 153 V C -0.758 175.252 176.094 -0.141 0.000 1.085 153 V CA -2.846 59.390 62.300 -0.106 0.000 0.945 153 V CB 2.702 34.452 31.823 -0.121 0.000 1.017 153 V HN -0.888 7.195 8.190 -0.141 0.023 0.428 154 K N 0.930 121.257 120.400 -0.122 0.000 2.305 154 K HA 0.017 nan 4.320 nan 0.000 0.199 154 K C -0.438 176.051 176.600 -0.185 0.000 1.047 154 K CA 0.205 56.385 56.287 -0.178 0.000 0.976 154 K CB 0.696 33.099 32.500 -0.161 0.000 0.765 154 K HN 0.654 8.868 8.250 -0.058 0.000 0.474 155 A N -4.388 118.347 122.820 -0.142 0.000 2.612 155 A HA 0.417 nan 4.320 nan 0.000 0.293 155 A C -2.613 174.937 177.584 -0.057 0.000 1.075 155 A CA -0.797 51.173 52.037 -0.111 0.000 0.680 155 A CB 2.715 21.704 19.000 -0.019 0.000 1.279 155 A HN -0.615 7.466 8.150 -0.116 0.000 0.411 156 I N -5.776 114.781 120.570 -0.022 0.000 2.785 156 I HA 0.954 nan 4.170 nan 0.000 0.302 156 I C -1.548 174.695 176.117 0.211 0.000 1.069 156 I CA -2.810 58.483 61.300 -0.012 0.000 1.045 156 I CB 3.484 41.285 38.000 -0.330 0.000 1.236 156 I HN 0.488 8.710 8.210 0.021 0.000 0.429 157 G N 0.357 109.284 108.800 0.212 0.000 2.782 157 G HA2 0.717 nan 3.960 nan 0.000 0.304 157 G HA3 0.717 nan 3.960 nan 0.000 0.304 157 G C -2.648 172.298 174.900 0.076 0.000 1.315 157 G CA -0.906 44.324 45.100 0.218 0.000 0.791 157 G HN 0.047 8.394 8.290 0.095 0.000 0.519 158 V N -7.210 112.594 119.914 -0.183 0.000 3.167 158 V HA 0.954 nan 4.120 nan 0.000 0.310 158 V C -2.098 173.834 176.094 -0.270 0.000 1.207 158 V CA -2.961 59.043 62.300 -0.493 0.000 1.059 158 V CB 3.780 34.755 31.823 -1.413 0.000 1.079 158 V HN 0.329 8.434 8.190 -0.143 0.000 0.446 159 S N 1.555 117.152 115.700 -0.172 0.000 2.536 159 S HA 0.390 nan 4.470 nan 0.000 0.271 159 S C -0.211 174.400 174.600 0.018 0.000 1.134 159 S CA -1.223 56.950 58.200 -0.045 0.000 0.897 159 S CB 1.899 65.049 63.200 -0.084 0.000 1.094 159 S HN -0.058 8.161 8.310 -0.152 0.000 0.473 160 N N 0.630 119.322 118.700 -0.014 0.000 2.735 160 N HA -0.397 nan 4.740 nan 0.000 0.248 160 N C -1.081 174.404 175.510 -0.040 0.000 1.083 160 N CA 2.135 55.127 53.050 -0.096 0.000 0.703 160 N CB -1.347 36.732 38.487 -0.680 0.000 1.005 160 N HN 0.480 8.887 8.380 0.045 0.000 0.550 161 F N -0.864 118.948 119.950 -0.231 0.000 2.404 161 F HA -0.019 nan 4.527 nan 0.000 0.339 161 F C -0.466 175.215 175.800 -0.198 0.000 1.105 161 F CA -0.649 57.173 58.000 -0.298 0.000 1.087 161 F CB 1.378 40.172 39.000 -0.344 0.000 1.143 161 F HN -0.772 7.877 8.300 0.225 -0.214 0.491 162 N N 2.654 121.257 118.700 -0.162 0.000 2.445 162 N HA 0.068 nan 4.740 nan 0.000 0.264 162 N C 0.572 175.942 175.510 -0.233 0.000 1.227 162 N CA -1.675 51.289 53.050 -0.143 0.000 0.963 162 N CB 1.586 39.951 38.487 -0.203 0.000 1.188 162 N HN 0.538 9.091 8.380 -0.345 -0.379 0.491 163 H N 0.340 119.144 119.070 -0.444 0.000 2.457 163 H HA -0.255 nan 4.556 nan 0.000 0.297 163 H C 0.992 175.956 175.328 -0.608 0.000 1.092 163 H CA 2.921 58.485 56.048 -0.808 0.000 1.309 163 H CB -0.358 28.513 29.762 -1.486 0.000 1.382 163 H HN 0.416 8.402 8.280 -0.260 0.137 0.535 164 L N -0.724 119.912 121.223 -0.979 0.000 2.240 164 L HA -0.229 nan 4.340 nan 0.000 0.211 164 L C 2.290 179.021 176.870 -0.230 0.000 1.106 164 L CA 1.827 56.299 54.840 -0.615 0.000 0.793 164 L CB -0.478 41.232 42.059 -0.581 0.000 0.927 164 L HN -0.293 7.543 8.230 -0.929 -0.163 0.446 165 Q N -0.164 119.517 119.800 -0.197 0.000 2.096 165 Q HA -0.247 nan 4.340 nan 0.000 0.197 165 Q C 2.607 178.662 176.000 0.092 0.000 0.964 165 Q CA 3.432 59.211 55.803 -0.040 0.000 0.838 165 Q CB 0.057 28.491 28.738 -0.507 0.000 0.906 165 Q HN -0.172 8.047 8.270 -0.307 -0.133 0.444 166 V N 0.741 120.689 119.914 0.056 0.000 2.343 166 V HA -0.461 nan 4.120 nan 0.000 0.247 166 V C 2.122 178.254 176.094 0.064 0.000 1.051 166 V CA 4.643 66.977 62.300 0.056 0.000 1.036 166 V CB -0.999 30.932 31.823 0.179 0.000 0.654 166 V HN -0.017 8.164 8.190 -0.014 0.000 0.451 167 E N -1.240 119.010 120.200 0.084 0.000 2.097 167 E HA -0.412 nan 4.350 nan 0.000 0.196 167 E C 2.258 178.886 176.600 0.047 0.000 1.000 167 E CA 3.327 59.777 56.400 0.082 0.000 0.804 167 E CB -0.682 29.036 29.700 0.031 0.000 0.740 167 E HN -0.243 8.129 8.360 0.019 0.000 0.454 168 K N -1.343 119.101 120.400 0.073 0.000 2.152 168 K HA -0.231 nan 4.320 nan 0.000 0.206 168 K C 2.012 178.646 176.600 0.056 0.000 1.048 168 K CA 2.882 59.214 56.287 0.076 0.000 0.933 168 K CB -0.192 32.397 32.500 0.147 0.000 0.721 168 K HN -0.619 7.682 8.250 0.084 0.000 0.447 169 I N -1.530 119.074 120.570 0.056 0.000 2.193 169 I HA -0.350 nan 4.170 nan 0.000 0.240 169 I C 1.938 177.984 176.117 -0.119 0.000 1.084 169 I CA 2.821 64.046 61.300 -0.124 0.000 1.365 169 I CB 0.242 37.975 38.000 -0.445 0.000 1.064 169 I HN -0.845 7.336 8.210 0.113 0.097 0.410 170 L N -1.193 119.976 121.223 -0.090 0.000 2.127 170 L HA -0.381 nan 4.340 nan 0.000 0.211 170 L C 1.187 178.042 176.870 -0.024 0.000 1.089 170 L CA 2.846 57.651 54.840 -0.058 0.000 0.757 170 L CB -0.473 41.566 42.059 -0.032 0.000 0.899 170 L HN 0.134 8.319 8.230 -0.075 0.000 0.434 171 N N -4.621 114.074 118.700 -0.008 0.000 2.276 171 N HA 0.077 nan 4.740 nan 0.000 0.212 171 N C -0.821 174.687 175.510 -0.002 0.000 1.127 171 N CA -0.257 52.791 53.050 -0.002 0.000 0.834 171 N CB 0.137 38.627 38.487 0.005 0.000 1.014 171 N HN -0.253 8.098 8.380 -0.005 0.026 0.491 172 K N 2.921 123.320 120.400 -0.001 0.000 2.383 172 K HA 0.197 nan 4.320 nan 0.000 0.286 172 K C -1.642 174.968 176.600 0.017 0.000 1.051 172 K CA -1.911 54.383 56.287 0.012 0.000 0.974 172 K CB 0.565 33.087 32.500 0.038 0.000 0.968 172 K HN -0.153 7.910 8.250 -0.009 0.181 0.475 173 P HA -0.096 nan 4.420 nan 0.000 0.262 173 P C 0.010 177.320 177.300 0.017 0.000 1.199 173 P CA 0.854 63.959 63.100 0.009 0.000 0.763 173 P CB -0.369 31.333 31.700 0.004 0.000 0.790 174 G N 3.108 111.914 108.800 0.011 0.000 2.132 174 G HA2 -0.344 nan 3.960 nan 0.000 0.228 174 G HA3 -0.344 nan 3.960 nan 0.000 0.228 174 G C -0.439 174.472 174.900 0.018 0.000 1.000 174 G CA -0.171 44.933 45.100 0.008 0.000 0.693 174 G HN 0.152 8.445 8.290 0.005 0.000 0.515 175 L N -1.287 119.954 121.223 0.030 0.000 2.534 175 L HA -0.158 nan 4.340 nan 0.000 0.271 175 L C -0.100 176.763 176.870 -0.011 0.000 1.178 175 L CA 0.982 55.860 54.840 0.063 0.000 0.907 175 L CB 0.225 42.321 42.059 0.062 0.000 1.164 175 L HN -0.620 7.624 8.230 0.022 0.000 0.482 176 K N 5.860 126.223 120.400 -0.061 0.000 2.141 176 K HA -0.022 nan 4.320 nan 0.000 0.202 176 K C -0.030 176.269 176.600 -0.502 0.000 1.045 176 K CA 1.791 57.852 56.287 -0.376 0.000 0.971 176 K CB 1.131 33.268 32.500 -0.605 0.000 0.795 176 K HN 0.060 8.501 8.250 0.032 -0.172 0.459 177 Y N -2.705 117.737 120.300 0.236 0.000 2.477 177 Y HA 0.127 nan 4.550 nan 0.000 0.347 177 Y C -1.765 174.409 175.900 0.456 0.000 0.981 177 Y CA -1.573 56.715 58.100 0.314 0.000 1.033 177 Y CB 2.810 41.419 38.460 0.250 0.000 1.245 177 Y HN -0.359 8.382 8.280 0.249 -0.312 0.455 178 K N 2.590 123.265 120.400 0.459 0.000 2.090 178 K HA 0.320 nan 4.320 nan 0.000 0.250 178 K C -2.402 174.458 176.600 0.433 0.000 1.004 178 K CA -2.550 53.862 56.287 0.208 0.000 0.919 178 K CB -0.596 31.766 32.500 -0.229 0.000 1.045 178 K HN -0.222 8.320 8.250 0.487 0.000 0.471 179 P HA -0.229 nan 4.420 nan 0.000 0.261 179 P C -1.618 175.814 177.300 0.221 0.000 1.183 179 P CA 0.511 63.716 63.100 0.176 0.000 0.761 179 P CB 0.077 31.651 31.700 -0.211 0.000 0.785 180 A N 5.212 128.248 122.820 0.360 0.000 2.095 180 A HA 0.040 nan 4.320 nan 0.000 0.212 180 A C -1.537 176.164 177.584 0.195 0.000 1.162 180 A CA 1.293 53.564 52.037 0.390 0.000 0.753 180 A CB 1.324 20.529 19.000 0.342 0.000 0.840 180 A HN 0.702 9.084 8.150 0.388 0.000 0.468 181 V N -4.253 115.737 119.914 0.126 0.000 3.049 181 V HA 0.359 nan 4.120 nan 0.000 0.309 181 V C -2.297 173.803 176.094 0.011 0.000 1.148 181 V CA -0.827 61.514 62.300 0.069 0.000 0.990 181 V CB 4.029 35.906 31.823 0.089 0.000 1.039 181 V HN -0.672 7.557 8.190 0.135 0.042 0.430 182 N N 3.088 121.791 118.700 0.004 0.000 2.540 182 N HA 0.404 nan 4.740 nan 0.000 0.275 182 N C -2.507 173.018 175.510 0.024 0.000 1.053 182 N CA -0.876 52.163 53.050 -0.018 0.000 0.876 182 N CB 2.913 41.401 38.487 0.003 0.000 1.284 182 N HN 0.425 8.817 8.380 0.020 0.000 0.518 183 Q N 7.213 127.039 119.800 0.044 0.000 2.322 183 Q HA 0.671 nan 4.340 nan 0.000 0.256 183 Q C -1.480 174.612 176.000 0.155 0.000 0.960 183 Q CA -0.668 55.207 55.803 0.120 0.000 0.934 183 Q CB 1.299 30.127 28.738 0.151 0.000 1.200 183 Q HN 0.197 8.473 8.270 0.010 0.000 0.435 184 I N -0.785 119.806 120.570 0.035 0.000 3.074 184 I HA 0.580 nan 4.170 nan 0.000 0.310 184 I C -2.147 173.527 176.117 -0.738 0.000 1.153 184 I CA -2.697 58.484 61.300 -0.197 0.000 0.993 184 I CB 3.762 41.706 38.000 -0.094 0.000 1.237 184 I HN 0.894 9.113 8.210 0.015 0.000 0.443 185 E N 1.526 121.046 120.200 -1.132 0.000 2.265 185 E HA 0.067 nan 4.350 nan 0.000 0.272 185 E C -1.035 175.334 176.600 -0.386 0.000 1.067 185 E CA 0.589 56.365 56.400 -1.040 0.000 0.900 185 E CB 0.549 29.855 29.700 -0.657 0.000 1.017 185 E HN 0.258 8.169 8.360 -0.749 0.000 0.431 186 V N 7.323 127.125 119.914 -0.187 0.000 2.760 186 V HA 0.495 nan 4.120 nan 0.000 0.309 186 V C -1.758 174.355 176.094 0.032 0.000 1.077 186 V CA -1.320 60.889 62.300 -0.150 0.000 0.910 186 V CB 2.441 34.169 31.823 -0.158 0.000 1.008 186 V HN 0.133 8.252 8.190 -0.118 0.000 0.424 187 H N 0.691 119.797 119.070 0.061 0.000 2.951 187 H HA 0.363 nan 4.556 nan 0.000 0.292 187 H C -2.667 172.851 175.328 0.318 0.000 1.412 187 H CA -1.085 55.066 56.048 0.172 0.000 1.206 187 H CB -0.264 29.564 29.762 0.111 0.000 1.862 187 H HN 0.575 8.707 8.280 -0.248 0.000 0.502 188 P HA -0.295 nan 4.420 nan 0.000 0.218 188 P C -0.544 177.071 177.300 0.524 0.000 1.152 188 P CA 2.697 66.054 63.100 0.428 0.000 0.857 188 P CB 0.140 32.026 31.700 0.312 0.000 0.787 189 Y N -7.632 112.895 120.300 0.378 0.000 2.529 189 Y HA 0.119 nan 4.550 nan 0.000 0.290 189 Y C -1.043 174.941 175.900 0.140 0.000 1.177 189 Y CA -2.047 56.262 58.100 0.350 0.000 1.305 189 Y CB -0.461 38.379 38.460 0.634 0.000 1.047 189 Y HN -0.125 8.473 8.280 0.553 0.013 0.522 190 L N -0.278 120.921 121.223 -0.040 0.000 2.491 190 L HA 0.315 nan 4.340 nan 0.000 0.260 190 L C -1.315 175.445 176.870 -0.185 0.000 1.200 190 L CA -0.074 54.658 54.840 -0.181 0.000 0.882 190 L CB 0.490 42.310 42.059 -0.400 0.000 1.058 190 L HN 0.045 8.065 8.230 -0.044 0.184 0.487 191 T N 1.801 116.342 114.554 -0.021 0.000 3.043 191 T HA -0.000 nan 4.350 nan 0.000 0.263 191 T C 0.496 175.163 174.700 -0.055 0.000 1.094 191 T CA 1.333 63.437 62.100 0.008 0.000 1.127 191 T CB 0.162 69.096 68.868 0.109 0.000 0.905 191 T HN -0.084 8.365 8.240 0.029 -0.191 0.490 192 Q N -2.615 117.152 119.800 -0.055 0.000 2.450 192 Q HA -0.527 nan 4.340 nan 0.000 0.255 192 Q C 0.531 176.497 176.000 -0.057 0.000 1.003 192 Q CA 1.938 57.708 55.803 -0.055 0.000 1.097 192 Q CB -1.986 26.708 28.738 -0.073 0.000 1.544 192 Q HN 0.416 8.662 8.270 -0.040 0.000 0.531 193 E N -2.500 117.662 120.200 -0.064 0.000 2.209 193 E HA -0.367 nan 4.350 nan 0.000 0.196 193 E C 1.145 177.684 176.600 -0.101 0.000 0.993 193 E CA 2.611 58.967 56.400 -0.073 0.000 0.819 193 E CB -0.875 28.788 29.700 -0.061 0.000 0.745 193 E HN 0.386 8.673 8.360 -0.050 0.043 0.477 194 K N -0.109 120.189 120.400 -0.171 0.000 2.062 194 K HA -0.143 nan 4.320 nan 0.000 0.205 194 K C 1.993 178.495 176.600 -0.162 0.000 1.051 194 K CA 2.457 58.535 56.287 -0.349 0.000 0.941 194 K CB -0.224 31.855 32.500 -0.701 0.000 0.719 194 K HN -0.309 7.823 8.250 -0.156 0.024 0.440 195 L N -0.087 121.179 121.223 0.071 0.000 2.109 195 L HA -0.277 nan 4.340 nan 0.000 0.207 195 L C 1.913 178.909 176.870 0.210 0.000 1.086 195 L CA 2.674 57.704 54.840 0.317 0.000 0.760 195 L CB 0.015 42.226 42.059 0.253 0.000 0.910 195 L HN -0.570 7.670 8.230 0.017 0.000 0.437 196 I N -0.620 119.995 120.570 0.074 0.000 2.163 196 I HA -0.674 nan 4.170 nan 0.000 0.243 196 I C 1.487 177.618 176.117 0.024 0.000 1.085 196 I CA 4.879 66.193 61.300 0.023 0.000 1.347 196 I CB -0.334 37.643 38.000 -0.038 0.000 1.044 196 I HN 0.276 8.506 8.210 0.033 0.000 0.408 197 E N -0.099 120.110 120.200 0.016 0.000 2.051 197 E HA -0.416 nan 4.350 nan 0.000 0.192 197 E C 2.234 178.857 176.600 0.037 0.000 0.991 197 E CA 3.604 60.005 56.400 0.002 0.000 0.799 197 E CB -0.074 29.610 29.700 -0.027 0.000 0.748 197 E HN -0.429 7.929 8.360 -0.002 0.000 0.449 198 Y N 0.309 120.628 120.300 0.032 0.000 2.128 198 Y HA -0.445 nan 4.550 nan 0.000 0.284 198 Y C 2.215 178.141 175.900 0.043 0.000 1.154 198 Y CA 3.827 61.973 58.100 0.077 0.000 1.149 198 Y CB -0.110 38.474 38.460 0.206 0.000 0.976 198 Y HN -0.283 8.149 8.280 0.253 0.000 0.505 199 C N -1.483 117.791 119.300 -0.044 0.000 2.429 199 C HA -0.445 nan 4.460 nan 0.000 0.277 199 C C 2.310 177.199 174.990 -0.168 0.000 1.262 199 C CA 4.235 63.173 59.018 -0.134 0.000 1.733 199 C CB -1.719 26.031 27.740 0.018 0.000 2.010 199 C HN 0.253 8.588 8.230 0.175 0.000 0.483 200 K N 0.033 120.370 120.400 -0.104 0.000 2.057 200 K HA -0.383 nan 4.320 nan 0.000 0.207 200 K C 2.873 179.396 176.600 -0.128 0.000 1.049 200 K CA 3.361 59.591 56.287 -0.095 0.000 0.931 200 K CB -0.242 32.218 32.500 -0.066 0.000 0.714 200 K HN 0.367 8.580 8.250 -0.061 0.000 0.440 201 S N 0.061 115.663 115.700 -0.164 0.000 2.419 201 S HA -0.200 nan 4.470 nan 0.000 0.233 201 S C 1.558 176.038 174.600 -0.200 0.000 1.016 201 S CA 2.873 60.977 58.200 -0.159 0.000 0.974 201 S CB -0.216 62.896 63.200 -0.147 0.000 0.786 201 S HN 0.098 8.213 8.310 -0.172 0.092 0.492 202 K N -1.174 119.043 120.400 -0.304 0.000 2.426 202 K HA 0.130 nan 4.320 nan 0.000 0.193 202 K C -0.150 176.330 176.600 -0.200 0.000 1.028 202 K CA -1.179 54.939 56.287 -0.282 0.000 1.047 202 K CB 0.076 32.318 32.500 -0.430 0.000 0.821 202 K HN -0.545 7.371 8.250 -0.399 0.095 0.513 203 G N -1.326 107.385 108.800 -0.149 0.000 2.171 203 G HA2 -0.377 nan 3.960 nan 0.000 0.238 203 G HA3 -0.377 nan 3.960 nan 0.000 0.238 203 G C -0.775 174.092 174.900 -0.054 0.000 1.039 203 G CA 0.160 45.208 45.100 -0.087 0.000 0.759 203 G HN -0.158 7.858 8.290 -0.155 0.181 0.501 204 I N -0.090 120.438 120.570 -0.070 0.000 2.339 204 I HA 0.145 nan 4.170 nan 0.000 0.290 204 I C -0.558 175.556 176.117 -0.005 0.000 0.994 204 I CA -0.479 60.807 61.300 -0.023 0.000 1.191 204 I CB 1.199 39.161 38.000 -0.063 0.000 1.343 204 I HN -0.204 7.841 8.210 -0.105 0.102 0.458 205 V N 8.372 128.302 119.914 0.027 0.000 2.811 205 V HA 0.036 nan 4.120 nan 0.000 0.302 205 V C -1.252 174.845 176.094 0.005 0.000 1.063 205 V CA 0.382 62.685 62.300 0.005 0.000 1.088 205 V CB 0.702 32.527 31.823 0.004 0.000 0.982 205 V HN 0.304 8.534 8.190 0.066 0.000 0.485 206 V N 5.725 125.634 119.914 -0.009 0.000 2.483 206 V HA 0.441 nan 4.120 nan 0.000 0.295 206 V C -0.871 175.225 176.094 0.004 0.000 1.035 206 V CA -0.792 61.506 62.300 -0.003 0.000 0.896 206 V CB 2.337 34.148 31.823 -0.021 0.000 0.986 206 V HN 0.525 8.700 8.190 -0.024 0.000 0.447 207 T N 8.401 122.977 114.554 0.037 0.000 2.807 207 T HA 0.680 nan 4.350 nan 0.000 0.279 207 T C -1.935 172.804 174.700 0.066 0.000 0.993 207 T CA -1.218 60.927 62.100 0.075 0.000 0.970 207 T CB 1.960 70.914 68.868 0.144 0.000 0.950 207 T HN 0.138 8.403 8.240 0.042 0.000 0.441 208 A N 6.477 129.326 122.820 0.048 0.000 2.252 208 A HA 0.773 nan 4.320 nan 0.000 0.309 208 A C -1.855 175.812 177.584 0.138 0.000 1.285 208 A CA -1.785 50.262 52.037 0.016 0.000 0.900 208 A CB 1.252 20.232 19.000 -0.034 0.000 1.157 208 A HN 0.999 9.179 8.150 0.051 0.000 0.536 209 Y N 0.876 121.234 120.300 0.097 0.000 2.432 209 Y HA 0.311 nan 4.550 nan 0.000 0.322 209 Y C -0.229 175.762 175.900 0.151 0.000 1.246 209 Y CA -3.600 54.577 58.100 0.128 0.000 1.268 209 Y CB 1.005 39.548 38.460 0.138 0.000 1.276 209 Y HN 0.524 8.672 8.280 -0.044 0.106 0.499 210 S N -1.462 114.518 115.700 0.467 0.000 3.550 210 S HA -0.380 nan 4.470 nan 0.000 0.372 210 S C -1.208 173.499 174.600 0.177 0.000 0.966 210 S CA 0.028 58.411 58.200 0.305 0.000 1.229 210 S CB -1.485 61.944 63.200 0.383 0.000 0.917 210 S HN 0.883 9.466 8.310 0.454 0.000 0.496 211 P HA -0.144 nan 4.420 nan 0.000 0.221 211 P C -0.463 176.901 177.300 0.107 0.000 1.145 211 P CA 1.616 64.800 63.100 0.141 0.000 0.795 211 P CB 0.236 32.002 31.700 0.111 0.000 0.775 212 L N -7.268 113.989 121.223 0.057 0.000 2.818 212 L HA 0.239 nan 4.340 nan 0.000 0.243 212 L C 0.000 176.844 176.870 -0.044 0.000 1.185 212 L CA -0.435 54.413 54.840 0.014 0.000 0.988 212 L CB -0.391 41.681 42.059 0.022 0.000 1.292 212 L HN -0.684 7.541 8.230 0.069 0.046 0.519 213 G N -0.264 108.461 108.800 -0.125 0.000 2.225 213 G HA2 -0.404 nan 3.960 nan 0.000 0.267 213 G HA3 -0.404 nan 3.960 nan 0.000 0.267 213 G C -0.581 174.266 174.900 -0.087 0.000 1.024 213 G CA 0.465 45.420 45.100 -0.243 0.000 0.784 213 G HN -0.280 7.765 8.290 -0.102 0.184 0.507 214 S N -2.926 112.753 115.700 -0.035 0.000 3.524 214 S HA -0.326 nan 4.470 nan 0.000 0.377 214 S C -0.972 173.568 174.600 -0.101 0.000 0.949 214 S CA -0.412 57.759 58.200 -0.049 0.000 1.264 214 S CB -0.379 62.825 63.200 0.007 0.000 0.918 214 S HN 0.014 8.277 8.310 -0.013 0.040 0.517 215 P HA -0.163 nan 4.420 nan 0.000 0.217 215 P C -0.788 176.428 177.300 -0.140 0.000 1.148 215 P CA 1.745 64.801 63.100 -0.073 0.000 0.834 215 P CB -0.244 31.423 31.700 -0.054 0.000 0.783 216 D N -5.380 114.893 120.400 -0.212 0.000 2.358 216 D HA -0.035 nan 4.640 nan 0.000 0.224 216 D C -0.662 175.359 176.300 -0.465 0.000 1.123 216 D CA -0.748 53.077 54.000 -0.292 0.000 0.833 216 D CB -0.806 39.823 40.800 -0.286 0.000 0.946 216 D HN 0.269 8.486 8.370 -0.201 0.032 0.505 217 R N -0.125 120.049 120.500 -0.544 0.000 2.570 217 R HA 0.164 nan 4.340 nan 0.000 0.277 217 R C -0.865 174.899 176.300 -0.894 0.000 1.039 217 R CA -0.952 54.593 56.100 -0.924 0.000 1.065 217 R CB -0.863 28.829 30.300 -1.013 0.000 0.964 217 R HN -0.312 7.651 8.270 -0.401 0.067 0.428 218 P HA -0.222 nan 4.420 nan 0.000 0.217 218 P C -1.153 176.092 177.300 -0.091 0.000 1.148 218 P CA 1.848 64.764 63.100 -0.306 0.000 0.828 218 P CB -0.141 31.529 31.700 -0.051 0.000 0.783 219 W N -8.046 113.277 121.300 0.039 0.000 3.400 219 W HA 0.154 nan 4.660 nan 0.000 0.347 219 W C -1.023 175.538 176.519 0.070 0.000 1.218 219 W CA -2.385 54.991 57.345 0.053 0.000 1.837 219 W CB -1.685 27.816 29.460 0.069 0.000 1.067 219 W HN -0.688 6.886 8.180 -0.933 0.046 0.701 220 A N 2.600 125.393 122.820 -0.045 0.000 2.981 220 A HA -0.050 nan 4.320 nan 0.000 0.280 220 A C -0.302 177.330 177.584 0.079 0.000 1.797 220 A CA -0.102 51.952 52.037 0.028 0.000 1.456 220 A CB -1.291 17.672 19.000 -0.061 0.000 1.057 220 A HN -0.589 7.375 8.150 -0.185 0.075 0.602 221 K N 5.283 125.768 120.400 0.142 0.000 2.383 221 K HA 0.091 nan 4.320 nan 0.000 0.286 221 K C -0.168 176.489 176.600 0.095 0.000 1.051 221 K CA -2.553 53.803 56.287 0.114 0.000 0.974 221 K CB -0.878 31.704 32.500 0.136 0.000 0.968 221 K HN -0.311 8.088 8.250 0.207 -0.025 0.475 222 P HA -0.229 nan 4.420 nan 0.000 0.219 222 P C 0.231 177.557 177.300 0.043 0.000 1.145 222 P CA 2.047 65.174 63.100 0.044 0.000 0.813 222 P CB -0.019 31.698 31.700 0.027 0.000 0.771 223 E N -0.245 119.985 120.200 0.050 0.000 2.320 223 E HA 0.086 nan 4.350 nan 0.000 0.234 223 E C -1.108 175.516 176.600 0.040 0.000 1.290 223 E CA -1.343 55.075 56.400 0.031 0.000 1.545 223 E CB -1.860 27.856 29.700 0.027 0.000 1.379 223 E HN -0.076 8.236 8.360 0.066 0.088 0.437 224 D N 2.613 123.055 120.400 0.070 0.000 2.217 224 D HA 0.270 nan 4.640 nan 0.000 0.243 224 D C -1.942 174.349 176.300 -0.015 0.000 1.054 224 D CA -1.865 52.206 54.000 0.119 0.000 0.838 224 D CB 1.843 42.817 40.800 0.291 0.000 1.162 224 D HN -0.729 7.580 8.370 0.067 0.101 0.472 225 P HA -0.010 nan 4.420 nan 0.000 0.266 225 P C -1.448 175.848 177.300 -0.007 0.000 1.215 225 P CA -0.021 62.935 63.100 -0.241 0.000 0.763 225 P CB 0.660 32.037 31.700 -0.539 0.000 0.806 226 S N 1.294 117.023 115.700 0.049 0.000 2.429 226 S HA 0.122 nan 4.470 nan 0.000 0.302 226 S C 0.558 175.172 174.600 0.023 0.000 1.115 226 S CA -1.793 56.446 58.200 0.064 0.000 1.095 226 S CB 0.689 63.909 63.200 0.033 0.000 0.987 226 S HN -0.154 8.166 8.310 0.017 0.000 0.474 227 L N 6.500 127.692 121.223 -0.052 0.000 2.141 227 L HA -0.174 nan 4.340 nan 0.000 0.209 227 L C 1.750 178.573 176.870 -0.079 0.000 1.094 227 L CA 2.566 57.296 54.840 -0.184 0.000 0.763 227 L CB 0.193 42.101 42.059 -0.253 0.000 0.908 227 L HN 0.760 8.989 8.230 -0.001 0.000 0.437 228 L N -3.330 117.871 121.223 -0.036 0.000 2.156 228 L HA -0.216 nan 4.340 nan 0.000 0.208 228 L C 1.181 178.044 176.870 -0.012 0.000 1.095 228 L CA 2.310 57.139 54.840 -0.018 0.000 0.770 228 L CB -0.147 41.907 42.059 -0.009 0.000 0.914 228 L HN -0.375 7.823 8.230 -0.026 0.017 0.439 229 E N -4.266 115.928 120.200 -0.010 0.000 2.437 229 E HA 0.040 nan 4.350 nan 0.000 0.189 229 E C -0.837 175.755 176.600 -0.012 0.000 1.054 229 E CA -0.950 55.445 56.400 -0.008 0.000 0.874 229 E CB -0.345 29.352 29.700 -0.005 0.000 1.011 229 E HN -0.686 7.669 8.360 -0.008 0.000 0.474 230 D N 1.753 122.143 120.400 -0.017 0.000 2.338 230 D HA 0.111 nan 4.640 nan 0.000 0.255 230 D C -0.201 176.081 176.300 -0.030 0.000 1.237 230 D CA -2.509 51.477 54.000 -0.025 0.000 0.883 230 D CB 1.135 41.918 40.800 -0.027 0.000 1.087 230 D HN -0.919 7.250 8.370 -0.023 0.187 0.485 231 P HA -0.214 nan 4.420 nan 0.000 0.217 231 P C 1.337 178.635 177.300 -0.003 0.000 1.148 231 P CA 2.075 65.166 63.100 -0.015 0.000 0.828 231 P CB 0.051 31.741 31.700 -0.018 0.000 0.783 232 R N -2.256 118.232 120.500 -0.020 0.000 2.073 232 R HA -0.222 nan 4.340 nan 0.000 0.234 232 R C 2.325 178.668 176.300 0.072 0.000 1.134 232 R CA 3.455 59.571 56.100 0.026 0.000 0.952 232 R CB -0.636 29.640 30.300 -0.040 0.000 0.850 232 R HN -0.008 8.193 8.270 -0.059 0.034 0.433 233 I N -1.106 119.489 120.570 0.042 0.000 2.439 233 I HA -0.283 nan 4.170 nan 0.000 0.251 233 I C 1.805 177.948 176.117 0.043 0.000 1.139 233 I CA 1.206 62.540 61.300 0.056 0.000 1.438 233 I CB -1.337 36.676 38.000 0.020 0.000 1.085 233 I HN -0.310 8.040 8.210 -0.009 -0.145 0.427 234 K N 0.734 121.150 120.400 0.027 0.000 2.147 234 K HA -0.376 nan 4.320 nan 0.000 0.205 234 K C 2.207 178.832 176.600 0.042 0.000 1.049 234 K CA 3.769 60.072 56.287 0.027 0.000 0.936 234 K CB -0.145 32.363 32.500 0.013 0.000 0.722 234 K HN -0.070 8.188 8.250 0.014 0.000 0.446 235 A N -0.154 122.695 122.820 0.049 0.000 1.873 235 A HA -0.189 nan 4.320 nan 0.000 0.215 235 A C 1.974 179.612 177.584 0.090 0.000 1.186 235 A CA 3.049 55.121 52.037 0.058 0.000 0.616 235 A CB -0.732 18.300 19.000 0.055 0.000 0.823 235 A HN -0.059 8.023 8.150 0.044 0.094 0.442 236 I N -1.619 119.019 120.570 0.112 0.000 2.394 236 I HA -0.378 nan 4.170 nan 0.000 0.251 236 I C 1.360 177.623 176.117 0.243 0.000 1.136 236 I CA 1.845 63.251 61.300 0.178 0.000 1.425 236 I CB -0.560 37.522 38.000 0.137 0.000 1.079 236 I HN -0.428 7.841 8.210 0.098 0.000 0.425 237 A N -1.164 121.738 122.820 0.138 0.000 1.877 237 A HA -0.299 nan 4.320 nan 0.000 0.216 237 A C 2.201 179.870 177.584 0.141 0.000 1.186 237 A CA 2.941 55.047 52.037 0.115 0.000 0.620 237 A CB -0.787 18.243 19.000 0.050 0.000 0.822 237 A HN 0.204 8.401 8.150 0.095 0.010 0.443 238 A N -0.949 121.929 122.820 0.097 0.000 1.892 238 A HA -0.339 nan 4.320 nan 0.000 0.218 238 A C 2.466 180.087 177.584 0.063 0.000 1.188 238 A CA 2.921 54.995 52.037 0.061 0.000 0.631 238 A CB -0.838 18.186 19.000 0.040 0.000 0.822 238 A HN -0.084 8.115 8.150 0.083 0.000 0.447 239 K N -2.340 118.112 120.400 0.087 0.000 2.286 239 K HA -0.317 nan 4.320 nan 0.000 0.203 239 K C 1.363 177.859 176.600 -0.173 0.000 1.045 239 K CA 2.536 58.801 56.287 -0.037 0.000 0.935 239 K CB -0.019 32.437 32.500 -0.074 0.000 0.737 239 K HN -0.416 7.909 8.250 0.125 0.000 0.460 240 Y N -4.845 115.433 120.300 -0.036 0.000 2.442 240 Y HA -0.013 nan 4.550 nan 0.000 0.250 240 Y C -0.708 175.096 175.900 -0.159 0.000 1.113 240 Y CA -0.549 57.493 58.100 -0.096 0.000 1.273 240 Y CB 0.394 38.770 38.460 -0.139 0.000 1.138 240 Y HN -0.376 7.954 8.280 0.359 0.166 0.522 241 N N -1.476 117.239 118.700 0.025 0.000 2.681 241 N HA -0.381 nan 4.740 nan 0.000 0.259 241 N C -1.640 173.823 175.510 -0.079 0.000 1.066 241 N CA 0.753 53.788 53.050 -0.025 0.000 0.717 241 N CB -0.654 37.812 38.487 -0.035 0.000 0.885 241 N HN -0.428 7.855 8.380 0.062 0.135 0.547 242 K N -1.039 119.314 120.400 -0.078 0.000 2.509 242 K HA 0.620 nan 4.320 nan 0.000 0.266 242 K C -1.242 175.328 176.600 -0.051 0.000 0.987 242 K CA -1.717 54.485 56.287 -0.142 0.000 0.868 242 K CB 3.575 35.873 32.500 -0.337 0.000 1.421 242 K HN -0.749 7.488 8.250 -0.020 0.000 0.444 243 T N -1.249 113.288 114.554 -0.028 0.000 2.881 243 T HA 0.376 nan 4.350 nan 0.000 0.278 243 T C 1.352 176.061 174.700 0.015 0.000 0.982 243 T CA -1.259 60.842 62.100 0.002 0.000 0.989 243 T CB 2.051 70.926 68.868 0.012 0.000 1.058 243 T HN 0.396 8.942 8.240 -0.033 -0.326 0.529 244 T N 3.185 117.750 114.554 0.018 0.000 2.624 244 T HA -0.405 nan 4.350 nan 0.000 0.268 244 T C 1.361 176.079 174.700 0.029 0.000 1.041 244 T CA 4.242 66.354 62.100 0.019 0.000 1.159 244 T CB -0.710 68.164 68.868 0.010 0.000 0.863 244 T HN 0.484 8.732 8.240 0.014 0.000 0.434 245 A N 1.236 124.075 122.820 0.032 0.000 1.869 245 A HA -0.421 nan 4.320 nan 0.000 0.218 245 A C 2.043 179.666 177.584 0.065 0.000 1.203 245 A CA 3.146 55.210 52.037 0.046 0.000 0.638 245 A CB -1.045 17.983 19.000 0.046 0.000 0.831 245 A HN 0.303 8.468 8.150 0.025 0.000 0.450 246 Q N -2.423 117.421 119.800 0.073 0.000 2.135 246 Q HA -0.380 nan 4.340 nan 0.000 0.204 246 Q C 2.538 178.638 176.000 0.168 0.000 0.981 246 Q CA 3.067 58.941 55.803 0.118 0.000 0.856 246 Q CB -0.081 28.719 28.738 0.103 0.000 0.902 246 Q HN -0.567 7.736 8.270 0.056 0.000 0.425 247 V N 1.037 121.023 119.914 0.121 0.000 2.358 247 V HA -0.334 nan 4.120 nan 0.000 0.246 247 V C 1.665 177.800 176.094 0.067 0.000 1.047 247 V CA 4.699 67.052 62.300 0.088 0.000 1.035 247 V CB -0.708 31.124 31.823 0.014 0.000 0.658 247 V HN -0.210 7.929 8.190 0.076 0.097 0.452 248 L N -1.809 119.461 121.223 0.078 0.000 2.275 248 L HA -0.374 nan 4.340 nan 0.000 0.215 248 L C 1.978 178.930 176.870 0.137 0.000 1.119 248 L CA 3.223 58.141 54.840 0.130 0.000 0.790 248 L CB -0.313 41.803 42.059 0.095 0.000 0.919 248 L HN -0.052 8.216 8.230 0.065 0.000 0.443 249 I N -1.798 118.815 120.570 0.072 0.000 2.400 249 I HA -0.322 nan 4.170 nan 0.000 0.248 249 I C 1.544 177.623 176.117 -0.062 0.000 1.109 249 I CA 3.101 64.409 61.300 0.014 0.000 1.425 249 I CB -0.022 37.982 38.000 0.006 0.000 1.094 249 I HN -0.160 7.977 8.210 0.072 0.116 0.425 250 R N -0.432 120.015 120.500 -0.088 0.000 2.081 250 R HA -0.332 nan 4.340 nan 0.000 0.235 250 R C 2.214 178.441 176.300 -0.123 0.000 1.131 250 R CA 2.634 58.591 56.100 -0.238 0.000 0.960 250 R CB -0.588 29.444 30.300 -0.447 0.000 0.856 250 R HN -0.346 7.911 8.270 -0.023 0.000 0.436 251 F N 1.035 120.881 119.950 -0.174 0.000 2.027 251 F HA -0.232 nan 4.527 nan 0.000 0.297 251 F C -1.785 173.949 175.800 -0.109 0.000 1.129 251 F CA 4.373 62.298 58.000 -0.124 0.000 1.195 251 F CB -2.721 36.240 39.000 -0.066 0.000 0.960 251 F HN -0.057 8.328 8.300 0.143 0.000 0.485 252 P HA -0.272 nan 4.420 nan 0.000 0.217 252 P C 1.682 178.832 177.300 -0.251 0.000 1.150 252 P CA 2.867 65.733 63.100 -0.390 0.000 0.832 252 P CB -0.214 31.331 31.700 -0.257 0.000 0.787 253 M N -2.164 117.311 119.600 -0.207 0.000 2.080 253 M HA -0.491 nan 4.480 nan 0.000 0.260 253 M C 2.647 178.837 176.300 -0.184 0.000 1.068 253 M CA 4.378 59.555 55.300 -0.204 0.000 1.109 253 M CB -0.401 32.032 32.600 -0.278 0.000 1.342 253 M HN -0.749 7.424 8.290 -0.195 0.000 0.405 254 Q N -1.180 118.513 119.800 -0.178 0.000 2.291 254 Q HA -0.262 nan 4.340 nan 0.000 0.206 254 Q C 1.871 177.800 176.000 -0.119 0.000 0.976 254 Q CA 2.546 58.269 55.803 -0.133 0.000 0.875 254 Q CB -0.163 28.521 28.738 -0.091 0.000 0.927 254 Q HN -0.007 8.153 8.270 -0.183 0.000 0.450 255 R N -3.536 116.862 120.500 -0.170 0.000 2.356 255 R HA 0.066 nan 4.340 nan 0.000 0.234 255 R C -0.922 175.292 176.300 -0.143 0.000 0.929 255 R CA -0.573 55.427 56.100 -0.167 0.000 1.084 255 R CB -0.394 29.745 30.300 -0.268 0.000 1.105 255 R HN -0.577 7.409 8.270 -0.221 0.152 0.515 256 N N -2.098 116.522 118.700 -0.133 0.000 2.738 256 N HA -0.404 nan 4.740 nan 0.000 0.249 256 N C -1.511 173.933 175.510 -0.111 0.000 1.047 256 N CA 1.513 54.493 53.050 -0.115 0.000 0.707 256 N CB -1.440 36.989 38.487 -0.097 0.000 0.937 256 N HN 0.146 8.254 8.380 -0.136 0.190 0.545 257 L N -4.101 117.047 121.223 -0.126 0.000 2.362 257 L HA 0.335 nan 4.340 nan 0.000 0.271 257 L C -0.563 176.259 176.870 -0.079 0.000 1.002 257 L CA -1.616 53.162 54.840 -0.104 0.000 0.818 257 L CB 2.780 44.756 42.059 -0.139 0.000 1.298 257 L HN -0.134 7.922 8.230 -0.147 0.086 0.420 258 I N 2.345 122.897 120.570 -0.031 0.000 2.556 258 I HA 0.041 nan 4.170 nan 0.000 0.284 258 I C -0.485 175.658 176.117 0.044 0.000 1.114 258 I CA -0.277 61.037 61.300 0.023 0.000 1.418 258 I CB -0.515 37.527 38.000 0.070 0.000 1.394 258 I HN 0.361 8.556 8.210 -0.026 0.000 0.552 259 V N 2.977 122.916 119.914 0.042 0.000 2.547 259 V HA 0.785 nan 4.120 nan 0.000 0.299 259 V C -0.766 175.386 176.094 0.095 0.000 1.040 259 V CA -2.498 59.834 62.300 0.052 0.000 0.913 259 V CB 1.059 32.886 31.823 0.007 0.000 0.992 259 V HN 0.837 9.046 8.190 0.031 0.000 0.449 260 I N -2.690 117.950 120.570 0.118 0.000 2.905 260 I HA 0.588 nan 4.170 nan 0.000 0.297 260 I C -2.337 173.862 176.117 0.137 0.000 1.358 260 I CA -3.389 57.975 61.300 0.107 0.000 0.975 260 I CB -0.234 37.830 38.000 0.106 0.000 1.857 260 I HN -0.428 7.862 8.210 0.134 0.000 0.612 261 P HA -0.043 nan 4.420 nan 0.000 0.271 261 P C -1.220 176.150 177.300 0.115 0.000 1.216 261 P CA -0.298 62.883 63.100 0.134 0.000 0.771 261 P CB 0.403 32.185 31.700 0.138 0.000 0.864 262 K N 3.283 123.729 120.400 0.077 0.000 2.211 262 K HA 0.304 nan 4.320 nan 0.000 0.275 262 K C -1.366 175.234 176.600 -0.000 0.000 1.024 262 K CA -0.692 55.613 56.287 0.030 0.000 0.887 262 K CB 0.903 33.407 32.500 0.006 0.000 1.084 262 K HN 0.149 8.445 8.250 0.077 0.000 0.463 263 S N 4.960 120.646 115.700 -0.023 0.000 2.563 263 S HA 0.187 nan 4.470 nan 0.000 0.279 263 S C -0.258 174.306 174.600 -0.061 0.000 1.155 263 S CA 0.022 58.201 58.200 -0.036 0.000 0.928 263 S CB 1.803 64.999 63.200 -0.006 0.000 1.107 263 S HN -0.129 8.161 8.310 -0.035 0.000 0.462 264 V N -1.541 118.335 119.914 -0.062 0.000 3.621 264 V HA 0.310 nan 4.120 nan 0.000 0.285 264 V C -0.620 175.442 176.094 -0.053 0.000 1.346 264 V CA -0.643 61.618 62.300 -0.064 0.000 1.104 264 V CB -0.242 31.541 31.823 -0.066 0.000 0.913 264 V HN 0.224 8.376 8.190 -0.063 0.000 0.432 265 T N 5.916 120.445 114.554 -0.042 0.000 2.728 265 T HA 0.548 nan 4.350 nan 0.000 0.296 265 T C -1.352 173.335 174.700 -0.022 0.000 0.940 265 T CA -1.519 60.564 62.100 -0.029 0.000 1.013 265 T CB 0.154 69.010 68.868 -0.021 0.000 0.912 265 T HN -0.606 7.551 8.240 -0.039 0.060 0.484 266 P HA -0.345 nan 4.420 nan 0.000 0.216 266 P C 1.212 178.518 177.300 0.009 0.000 1.157 266 P CA 3.026 66.116 63.100 -0.016 0.000 0.880 266 P CB -0.099 31.592 31.700 -0.015 0.000 0.791 267 E N -3.607 116.602 120.200 0.015 0.000 2.077 267 E HA -0.255 nan 4.350 nan 0.000 0.193 267 E C 2.554 179.184 176.600 0.051 0.000 0.989 267 E CA 3.323 59.742 56.400 0.032 0.000 0.800 267 E CB -1.351 28.363 29.700 0.023 0.000 0.746 267 E HN 0.717 9.080 8.360 0.005 0.000 0.452 268 R N -0.931 119.594 120.500 0.041 0.000 2.153 268 R HA -0.126 nan 4.340 nan 0.000 0.218 268 R C 2.655 179.013 176.300 0.098 0.000 1.072 268 R CA 2.489 58.624 56.100 0.060 0.000 0.990 268 R CB -0.130 30.191 30.300 0.035 0.000 0.889 268 R HN -0.606 7.678 8.270 0.023 0.000 0.452 269 I N 0.307 120.922 120.570 0.075 0.000 2.226 269 I HA -0.494 nan 4.170 nan 0.000 0.245 269 I C 1.524 177.795 176.117 0.256 0.000 1.100 269 I CA 3.741 65.105 61.300 0.105 0.000 1.374 269 I CB -0.466 37.499 38.000 -0.059 0.000 1.057 269 I HN -0.042 8.189 8.210 0.035 0.000 0.413 270 A N -1.230 121.700 122.820 0.184 0.000 1.877 270 A HA -0.396 nan 4.320 nan 0.000 0.216 270 A C 1.754 179.492 177.584 0.257 0.000 1.186 270 A CA 3.177 55.349 52.037 0.224 0.000 0.620 270 A CB -1.082 18.000 19.000 0.136 0.000 0.822 270 A HN -0.136 8.080 8.150 0.111 0.000 0.443 271 E N -1.213 119.097 120.200 0.183 0.000 2.049 271 E HA -0.400 nan 4.350 nan 0.000 0.198 271 E C 2.940 179.657 176.600 0.195 0.000 1.007 271 E CA 3.135 59.629 56.400 0.156 0.000 0.809 271 E CB -0.014 29.749 29.700 0.106 0.000 0.749 271 E HN -0.085 8.362 8.360 0.145 0.000 0.450 272 N N -1.908 116.934 118.700 0.235 0.000 2.453 272 N HA -0.236 nan 4.740 nan 0.000 0.183 272 N C 0.958 176.639 175.510 0.285 0.000 1.041 272 N CA 2.252 55.450 53.050 0.247 0.000 0.900 272 N CB -0.154 38.506 38.487 0.288 0.000 0.961 272 N HN 0.065 8.584 8.380 0.233 0.000 0.443 273 F N -1.198 118.854 119.950 0.171 0.000 2.569 273 F HA 0.024 nan 4.527 nan 0.000 0.295 273 F C 0.134 176.073 175.800 0.230 0.000 1.115 273 F CA 0.653 58.715 58.000 0.102 0.000 1.450 273 F CB 1.692 40.728 39.000 0.060 0.000 1.107 273 F HN -0.723 7.737 8.300 0.504 0.143 0.563 274 Q N 0.772 120.731 119.800 0.266 0.000 3.254 274 Q HA 0.035 nan 4.340 nan 0.000 0.315 274 Q C -0.436 175.678 176.000 0.189 0.000 1.405 274 Q CA -0.050 55.875 55.803 0.204 0.000 0.966 274 Q CB -1.729 27.115 28.738 0.176 0.000 1.706 274 Q HN -0.191 8.101 8.270 0.293 0.154 0.525 275 V N -6.079 113.921 119.914 0.143 0.000 3.480 275 V HA 0.184 nan 4.120 nan 0.000 0.263 275 V C 0.608 176.694 176.094 -0.013 0.000 1.442 275 V CA 0.702 63.081 62.300 0.131 0.000 1.053 275 V CB 0.829 32.559 31.823 -0.156 0.000 0.846 275 V HN -0.201 7.973 8.190 0.114 0.084 0.440 276 F N 2.112 122.009 119.950 -0.087 0.000 2.703 276 F HA 0.064 nan 4.527 nan 0.000 0.299 276 F C 0.017 175.815 175.800 -0.003 0.000 1.229 276 F CA 0.381 58.311 58.000 -0.117 0.000 1.430 276 F CB -1.470 37.408 39.000 -0.202 0.000 1.053 276 F HN -0.162 8.355 8.300 0.362 0.000 0.513 277 D N -1.537 119.045 120.400 0.303 0.000 2.513 277 D HA 0.058 nan 4.640 nan 0.000 0.222 277 D C -0.572 175.958 176.300 0.383 0.000 1.210 277 D CA 0.147 54.316 54.000 0.283 0.000 0.825 277 D CB 0.483 41.422 40.800 0.230 0.000 1.037 277 D HN -0.257 8.267 8.370 0.416 0.095 0.506 278 F N -1.900 118.078 119.950 0.048 0.000 2.831 278 F HA 0.431 nan 4.527 nan 0.000 0.318 278 F C -2.387 173.440 175.800 0.045 0.000 1.174 278 F CA -1.474 56.571 58.000 0.075 0.000 0.918 278 F CB 1.652 40.727 39.000 0.126 0.000 1.364 278 F HN -0.722 7.700 8.300 0.205 0.000 0.475 279 E N -1.095 119.111 120.200 0.010 0.000 2.321 279 E HA 0.288 nan 4.350 nan 0.000 0.278 279 E C -1.896 174.740 176.600 0.060 0.000 0.902 279 E CA -1.082 55.241 56.400 -0.129 0.000 0.758 279 E CB 3.438 33.130 29.700 -0.013 0.000 1.213 279 E HN 0.111 8.671 8.360 0.333 0.000 0.426 280 L N 2.680 123.855 121.223 -0.079 0.000 2.319 280 L HA 0.100 nan 4.340 nan 0.000 0.280 280 L C 0.254 177.216 176.870 0.153 0.000 1.099 280 L CA -0.273 54.602 54.840 0.058 0.000 0.828 280 L CB 0.728 42.722 42.059 -0.108 0.000 1.150 280 L HN 0.538 9.069 8.230 -0.209 -0.426 0.442 281 S N 5.308 121.177 115.700 0.281 0.000 2.549 281 S HA 0.109 nan 4.470 nan 0.000 0.286 281 S C -0.489 174.166 174.600 0.092 0.000 1.314 281 S CA -1.705 56.586 58.200 0.152 0.000 1.062 281 S CB -0.246 63.034 63.200 0.134 0.000 0.865 281 S HN 0.533 9.160 8.310 0.528 0.000 0.498 282 P HA -0.216 nan 4.420 nan 0.000 0.218 282 P C 1.264 178.575 177.300 0.018 0.000 1.146 282 P CA 2.548 65.665 63.100 0.029 0.000 0.813 282 P CB -0.029 31.682 31.700 0.018 0.000 0.778 283 E N -1.908 118.305 120.200 0.021 0.000 2.051 283 E HA -0.361 nan 4.350 nan 0.000 0.192 283 E C 2.434 179.030 176.600 -0.007 0.000 0.991 283 E CA 3.570 59.973 56.400 0.005 0.000 0.799 283 E CB -0.643 29.064 29.700 0.012 0.000 0.748 283 E HN 0.520 8.870 8.360 0.032 0.030 0.449 284 D N 0.006 120.421 120.400 0.026 0.000 2.144 284 D HA -0.205 nan 4.640 nan 0.000 0.199 284 D C 2.300 178.555 176.300 -0.075 0.000 0.984 284 D CA 2.871 56.877 54.000 0.010 0.000 0.834 284 D CB -0.545 40.326 40.800 0.118 0.000 0.955 284 D HN -0.254 8.153 8.370 0.061 0.000 0.465 285 M N -0.608 118.969 119.600 -0.037 0.000 2.080 285 M HA -0.397 nan 4.480 nan 0.000 0.260 285 M C 2.120 178.378 176.300 -0.070 0.000 1.068 285 M CA 3.141 58.421 55.300 -0.034 0.000 1.109 285 M CB -0.749 31.880 32.600 0.049 0.000 1.342 285 M HN -0.365 7.862 8.290 0.009 0.068 0.405 286 N N -0.326 118.339 118.700 -0.058 0.000 2.244 286 N HA -0.237 nan 4.740 nan 0.000 0.183 286 N C 2.470 177.879 175.510 -0.168 0.000 1.016 286 N CA 3.227 56.231 53.050 -0.076 0.000 0.866 286 N CB -0.247 38.209 38.487 -0.052 0.000 0.980 286 N HN 0.031 8.309 8.380 -0.036 0.081 0.430 287 T N 3.976 118.405 114.554 -0.209 0.000 2.622 287 T HA -0.289 nan 4.350 nan 0.000 0.266 287 T C 2.540 176.835 174.700 -0.674 0.000 1.047 287 T CA 4.263 66.155 62.100 -0.347 0.000 1.159 287 T CB -0.386 68.350 68.868 -0.219 0.000 0.863 287 T HN 0.105 8.170 8.240 -0.147 0.086 0.422 288 L N 1.248 122.130 121.223 -0.567 0.000 1.990 288 L HA -0.431 nan 4.340 nan 0.000 0.213 288 L C 2.055 178.636 176.870 -0.483 0.000 1.072 288 L CA 3.248 57.690 54.840 -0.664 0.000 0.755 288 L CB -0.547 40.899 42.059 -1.021 0.000 0.889 288 L HN -0.166 7.817 8.230 -0.412 0.000 0.432 289 L N -2.847 118.219 121.223 -0.262 0.000 2.129 289 L HA -0.432 nan 4.340 nan 0.000 0.212 289 L C 2.232 179.072 176.870 -0.050 0.000 1.087 289 L CA 2.963 57.813 54.840 0.017 0.000 0.757 289 L CB -0.637 41.464 42.059 0.070 0.000 0.896 289 L HN 0.062 8.128 8.230 -0.274 0.000 0.434 290 S N -0.843 114.729 115.700 -0.212 0.000 2.481 290 S HA -0.197 nan 4.470 nan 0.000 0.231 290 S C 0.991 175.563 174.600 -0.047 0.000 0.996 290 S CA 2.840 60.945 58.200 -0.158 0.000 0.942 290 S CB -0.243 62.824 63.200 -0.221 0.000 0.768 290 S HN -0.325 7.647 8.310 -0.334 0.137 0.520 291 Y N -1.842 118.501 120.300 0.071 0.000 2.632 291 Y HA -0.088 nan 4.550 nan 0.000 0.301 291 Y C -0.458 175.521 175.900 0.131 0.000 1.172 291 Y CA -1.464 56.703 58.100 0.111 0.000 1.328 291 Y CB -1.187 37.419 38.460 0.242 0.000 1.016 291 Y HN -0.499 7.465 8.280 -0.269 0.155 0.529 292 N N 1.402 120.243 118.700 0.235 0.000 2.360 292 N HA -0.242 nan 4.740 nan 0.000 0.292 292 N C -0.084 175.508 175.510 0.136 0.000 1.330 292 N CA 0.739 53.900 53.050 0.184 0.000 1.009 292 N CB -0.384 38.169 38.487 0.110 0.000 1.419 292 N HN -0.787 7.615 8.380 0.169 0.080 0.487 293 R N 3.954 124.545 120.500 0.153 0.000 2.317 293 R HA 0.024 nan 4.340 nan 0.000 0.208 293 R C -0.027 176.369 176.300 0.160 0.000 0.914 293 R CA -0.331 55.824 56.100 0.091 0.000 1.060 293 R CB -0.257 30.026 30.300 -0.027 0.000 1.015 293 R HN -0.245 8.069 8.270 0.233 0.095 0.498 294 N N -3.440 115.362 118.700 0.170 0.000 2.714 294 N HA -0.321 nan 4.740 nan 0.000 0.250 294 N C -1.111 174.530 175.510 0.219 0.000 1.117 294 N CA 1.358 54.493 53.050 0.142 0.000 0.719 294 N CB -1.481 37.069 38.487 0.105 0.000 1.081 294 N HN -0.073 8.596 8.380 0.161 -0.193 0.557 295 W N 1.226 122.595 121.300 0.114 0.000 2.358 295 W HA -0.024 nan 4.660 nan 0.000 0.307 295 W C -2.001 174.667 176.519 0.249 0.000 1.203 295 W CA -0.358 57.094 57.345 0.179 0.000 1.279 295 W CB 0.410 30.011 29.460 0.234 0.000 1.264 295 W HN 0.180 8.601 8.180 0.453 0.030 0.474 296 R N 6.767 127.139 120.500 -0.213 0.000 2.255 296 R HA 0.239 nan 4.340 nan 0.000 0.326 296 R C -0.379 175.625 176.300 -0.493 0.000 0.986 296 R CA -0.456 55.473 56.100 -0.284 0.000 0.847 296 R CB 1.205 31.376 30.300 -0.214 0.000 1.111 296 R HN 0.130 8.344 8.270 -0.093 0.000 0.452 297 V N 4.118 123.783 119.914 -0.416 0.000 2.407 297 V HA -0.138 nan 4.120 nan 0.000 0.245 297 V C -0.160 176.121 176.094 0.311 0.000 1.041 297 V CA 3.011 65.211 62.300 -0.167 0.000 1.040 297 V CB 0.893 32.592 31.823 -0.206 0.000 0.671 297 V HN 0.450 8.700 8.190 -0.322 -0.253 0.455 298 C N -0.621 118.894 119.300 0.359 0.000 2.184 298 C HA 0.400 nan 4.460 nan 0.000 0.328 298 C C -0.823 174.431 174.990 0.440 0.000 1.081 298 C CA -1.186 58.151 59.018 0.531 0.000 1.533 298 C CB -2.072 26.103 27.740 0.725 0.000 1.905 298 C HN -0.404 8.443 8.230 0.268 -0.456 0.439 299 A N 3.947 126.933 122.820 0.277 0.000 2.252 299 A HA 0.211 nan 4.320 nan 0.000 0.213 299 A C -0.555 177.317 177.584 0.479 0.000 1.188 299 A CA 0.221 52.470 52.037 0.353 0.000 0.863 299 A CB 1.016 20.126 19.000 0.184 0.000 0.893 299 A HN 0.368 8.600 8.150 0.136 0.000 0.495 300 L N -2.356 118.966 121.223 0.165 0.000 3.739 300 L HA -0.394 nan 4.340 nan 0.000 0.442 300 L C 0.318 177.206 176.870 0.031 0.000 1.241 300 L CA 0.448 55.260 54.840 -0.047 0.000 0.819 300 L CB -0.681 41.146 42.059 -0.386 0.000 1.679 300 L HN -0.002 8.265 8.230 0.062 0.000 0.889 301 M N -0.773 118.806 119.600 -0.035 0.000 2.195 301 M HA -0.343 nan 4.480 nan 0.000 0.260 301 M C 1.670 177.867 176.300 -0.172 0.000 1.066 301 M CA 3.221 58.467 55.300 -0.090 0.000 1.089 301 M CB -1.188 31.355 32.600 -0.094 0.000 1.377 301 M HN 0.333 8.564 8.290 -0.096 0.002 0.411 302 S N -0.217 115.376 115.700 -0.178 0.000 2.469 302 S HA -0.231 nan 4.470 nan 0.000 0.238 302 S C 0.817 175.307 174.600 -0.183 0.000 0.998 302 S CA 2.123 60.215 58.200 -0.180 0.000 0.957 302 S CB -0.590 62.491 63.200 -0.198 0.000 0.764 302 S HN 0.220 8.390 8.310 -0.194 0.024 0.514 303 C N -0.405 118.786 119.300 -0.182 0.000 3.000 303 C HA 0.449 nan 4.460 nan 0.000 0.286 303 C C 1.293 176.105 174.990 -0.296 0.000 1.343 303 C CA -1.713 57.227 59.018 -0.131 0.000 1.742 303 C CB -1.708 26.033 27.740 0.003 0.000 2.200 303 C HN 0.252 8.211 8.230 -0.165 0.172 0.621 304 A N 1.871 124.321 122.820 -0.615 0.000 2.076 304 A HA -0.299 nan 4.320 nan 0.000 0.220 304 A C 0.021 177.357 177.584 -0.413 0.000 1.160 304 A CA 3.513 54.894 52.037 -1.093 0.000 0.653 304 A CB -0.316 18.337 19.000 -0.578 0.000 0.801 304 A HN -0.115 7.615 8.150 -0.423 0.166 0.455 305 S N -6.101 109.502 115.700 -0.163 0.000 2.577 305 S HA -0.094 nan 4.470 nan 0.000 0.219 305 S C 0.063 174.690 174.600 0.045 0.000 0.962 305 S CA 0.031 58.221 58.200 -0.018 0.000 0.921 305 S CB 0.004 63.175 63.200 -0.049 0.000 0.789 305 S HN -0.495 7.673 8.310 -0.182 0.032 0.497 306 H N 4.624 123.680 119.070 -0.023 0.000 2.764 306 H HA -0.002 nan 4.556 nan 0.000 0.341 306 H C 0.992 176.369 175.328 0.080 0.000 1.072 306 H CA 0.564 56.630 56.048 0.031 0.000 1.444 306 H CB 1.866 31.664 29.762 0.060 0.000 1.458 306 H HN -0.128 8.014 8.280 0.077 0.184 0.572 307 K N 5.144 125.684 120.400 0.234 0.000 2.228 307 K HA -0.291 nan 4.320 nan 0.000 0.205 307 K C 0.418 177.168 176.600 0.250 0.000 1.045 307 K CA 2.571 58.984 56.287 0.211 0.000 0.931 307 K CB -0.304 32.263 32.500 0.111 0.000 0.727 307 K HN 0.573 8.808 8.250 -0.024 0.000 0.458 308 D N -2.297 118.311 120.400 0.346 0.000 2.462 308 D HA 0.071 nan 4.640 nan 0.000 0.221 308 D C -1.259 174.983 176.300 -0.097 0.000 1.173 308 D CA -0.376 53.674 54.000 0.083 0.000 0.831 308 D CB 0.662 41.494 40.800 0.053 0.000 1.001 308 D HN -0.704 7.942 8.370 0.606 0.088 0.499 309 Y N 3.142 123.358 120.300 -0.140 0.000 2.632 309 Y HA -0.118 nan 4.550 nan 0.000 0.329 309 Y C -1.202 174.464 175.900 -0.389 0.000 1.174 309 Y CA -0.885 57.039 58.100 -0.293 0.000 1.469 309 Y CB 1.934 40.233 38.460 -0.269 0.000 1.242 309 Y HN -0.362 7.916 8.280 0.236 0.143 0.540 310 P HA -0.029 nan 4.420 nan 0.000 0.230 310 P C -0.733 176.206 177.300 -0.602 0.000 1.168 310 P CA 1.416 63.996 63.100 -0.867 0.000 0.793 310 P CB 0.316 31.420 31.700 -0.993 0.000 0.851 311 F N -2.948 116.538 119.950 -0.773 0.000 2.692 311 F HA 0.183 nan 4.527 nan 0.000 0.303 311 F C 0.307 176.101 175.800 -0.010 0.000 1.114 311 F CA -1.509 56.280 58.000 -0.351 0.000 1.361 311 F CB -1.511 37.293 39.000 -0.325 0.000 1.063 311 F HN -0.116 6.980 8.300 -1.934 0.043 0.550 312 H N -2.753 116.455 119.070 0.229 0.000 2.525 312 H HA 0.093 nan 4.556 nan 0.000 0.275 312 H C 0.474 175.887 175.328 0.140 0.000 0.984 312 H CA 0.504 56.690 56.048 0.230 0.000 1.264 312 H CB 0.420 30.314 29.762 0.221 0.000 1.432 312 H HN -0.106 8.121 8.280 0.012 0.061 0.549 313 E N 0.608 120.927 120.200 0.199 0.000 2.374 313 E HA 0.018 nan 4.350 nan 0.000 0.260 313 E C 0.148 176.845 176.600 0.162 0.000 1.101 313 E CA -0.504 55.967 56.400 0.119 0.000 0.907 313 E CB 1.166 30.864 29.700 -0.004 0.000 1.014 313 E HN -0.698 7.718 8.360 0.145 0.032 0.427 314 E N 4.144 124.455 120.200 0.185 0.000 2.085 314 E HA -0.264 nan 4.350 nan 0.000 0.194 314 E C -0.687 176.120 176.600 0.344 0.000 0.994 314 E CA 2.156 58.711 56.400 0.258 0.000 0.801 314 E CB 0.403 30.295 29.700 0.320 0.000 0.743 314 E HN 0.469 8.926 8.360 0.162 0.000 0.453 315 Y N 0.000 120.374 120.300 0.123 0.000 2.660 315 Y HA 0.000 nan 4.550 nan 0.000 0.201 315 Y CA 0.000 58.170 58.100 0.116 0.000 1.940 315 Y CB 0.000 38.483 38.460 0.038 0.000 1.050 315 Y HN 0.000 8.384 8.280 0.200 0.016 0.758