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 1b0i_1_A DATA FIRST_RESID 1 DATA SEQUENCE TPTTFVHLFE WNWQDVAQEc EQYLGPKGYA AVQVSPPNEH ITGSQWWTRY DATA SEQUENCE QPVSYELQSR GGNRAQFIDM VNRcSAAGVD IYVDTLINHM AAGSGTGTAG DATA SEQUENCE NSFGNKSFPI YSPQDFHESc TINNSDYGND RYRVQNcELV GLADLDTASN DATA SEQUENCE YVQNTIAAYI NDLQAIGVKG FRFDASKHVA ASDIQSLMAK VNGSPVVFQE DATA SEQUENCE VIDQGGEAVG ASEYLSTGLV TEFKYSTELG NTFRNGSLAW LSNFGEGWGF DATA SEQUENCE MPSSSAVVFV DNHDNQRGHG GAGNVITFED GRLYDLANVF MLAYPYGYPK DATA SEQUENCE VMSSYDFHGD TDAGGPNVPV HNNGNLEcFA SNWKcEHRWS YIAGGVDFRN DATA SEQUENCE NTADNWAVTN WWDNTNNQIS FGRGSSGHMA INKEDSTLTA TVQTDMASGQ DATA SEQUENCE YcNVLKGELS ADAKScSGEV ITVNSDGTIN LNIGAWDAMA IHKNAKLN 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.691 174.700 -0.015 0.000 1.109 1 T CA 0.000 62.084 62.100 -0.027 0.000 1.349 1 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 2 P HA 0.109 nan 4.420 nan 0.000 0.271 2 P C -1.122 176.225 177.300 0.078 0.000 1.220 2 P CA -0.310 62.808 63.100 0.030 0.000 0.768 2 P CB 0.694 32.416 31.700 0.037 0.000 0.848 3 T N -3.112 111.514 114.554 0.121 0.000 3.092 3 T HA 0.117 nan 4.350 nan 0.000 0.273 3 T C -0.825 174.101 174.700 0.376 0.000 0.898 3 T CA 0.266 62.500 62.100 0.223 0.000 0.868 3 T CB 1.665 70.660 68.868 0.212 0.000 1.228 3 T HN 0.292 8.579 8.240 0.078 0.000 0.555 4 T N 5.070 119.787 114.554 0.272 0.000 2.876 4 T HA 0.756 nan 4.350 nan 0.000 0.289 4 T C -2.102 172.781 174.700 0.306 0.000 1.014 4 T CA -0.465 61.773 62.100 0.229 0.000 0.986 4 T CB 2.804 71.686 68.868 0.023 0.000 1.021 4 T HN -0.591 7.746 8.240 0.163 0.000 0.458 5 F N 1.898 121.825 119.950 -0.038 0.000 2.613 5 F HA 1.078 nan 4.527 nan 0.000 0.342 5 F C -2.497 173.305 175.800 0.005 0.000 1.066 5 F CA -3.070 54.903 58.000 -0.045 0.000 1.002 5 F CB 1.876 40.730 39.000 -0.243 0.000 1.319 5 F HN 0.331 8.603 8.300 -0.045 0.000 0.495 6 V N -2.470 117.449 119.914 0.009 0.000 2.925 6 V HA 0.617 nan 4.120 nan 0.000 0.311 6 V C -2.636 173.409 176.094 -0.082 0.000 1.104 6 V CA -2.307 59.892 62.300 -0.167 0.000 0.954 6 V CB 4.141 35.734 31.823 -0.384 0.000 1.022 6 V HN 0.209 8.469 8.190 0.117 0.000 0.427 7 H N 7.731 126.676 119.070 -0.209 0.000 2.685 7 H HA 0.510 nan 4.556 nan 0.000 0.286 7 H C -0.549 174.660 175.328 -0.199 0.000 1.102 7 H CA -2.653 53.337 56.048 -0.097 0.000 1.254 7 H CB -0.039 29.700 29.762 -0.038 0.000 1.397 7 H HN 0.427 8.667 8.280 -0.066 0.000 0.473 8 L N 9.190 130.241 121.223 -0.286 0.000 2.399 8 L HA -0.007 nan 4.340 nan 0.000 0.257 8 L C -1.171 175.506 176.870 -0.320 0.000 1.236 8 L CA -1.624 52.752 54.840 -0.773 0.000 1.144 8 L CB -1.343 40.092 42.059 -1.041 0.000 1.379 8 L HN -0.202 7.984 8.230 -0.074 0.000 0.414 9 F N 4.846 124.509 119.950 -0.479 0.000 2.571 9 F HA -0.430 nan 4.527 nan 0.000 0.390 9 F C -0.360 175.676 175.800 0.394 0.000 1.043 9 F CA 1.044 58.904 58.000 -0.233 0.000 1.164 9 F CB -0.065 38.729 39.000 -0.344 0.000 1.049 9 F HN -0.341 7.733 8.300 -0.307 0.043 0.552 10 E N 1.135 121.285 120.200 -0.083 0.000 2.971 10 E HA -0.532 nan 4.350 nan 0.000 0.278 10 E C -0.845 175.894 176.600 0.232 0.000 1.009 10 E CA 1.702 58.098 56.400 -0.007 0.000 0.862 10 E CB -1.735 27.863 29.700 -0.170 0.000 1.436 10 E HN 0.217 8.562 8.360 -0.025 0.000 0.434 11 W N -0.343 120.901 121.300 -0.094 0.000 2.311 11 W HA -0.093 nan 4.660 nan 0.000 0.310 11 W C -0.687 175.710 176.519 -0.203 0.000 1.274 11 W CA -0.227 56.969 57.345 -0.249 0.000 1.215 11 W CB -0.053 29.270 29.460 -0.228 0.000 1.227 11 W HN -0.643 7.761 8.180 0.445 0.042 0.523 12 N N 1.110 119.722 118.700 -0.148 0.000 2.326 12 N HA -0.124 nan 4.740 nan 0.000 0.239 12 N C 0.583 176.106 175.510 0.022 0.000 1.301 12 N CA -0.701 52.157 53.050 -0.319 0.000 0.909 12 N CB 0.435 38.755 38.487 -0.279 0.000 1.156 12 N HN -0.008 8.220 8.380 -0.253 0.000 0.462 13 W N -1.087 120.262 121.300 0.081 0.000 2.388 13 W HA -0.375 nan 4.660 nan 0.000 0.294 13 W C 2.313 178.848 176.519 0.026 0.000 1.212 13 W CA 2.416 59.797 57.345 0.059 0.000 1.271 13 W CB -0.154 29.354 29.460 0.079 0.000 1.126 13 W HN 0.047 7.933 8.180 -0.490 0.000 0.535 14 Q N -1.920 118.001 119.800 0.201 0.000 2.167 14 Q HA -0.387 nan 4.340 nan 0.000 0.202 14 Q C 2.471 178.527 176.000 0.093 0.000 0.970 14 Q CA 3.349 59.218 55.803 0.110 0.000 0.855 14 Q CB -0.637 28.133 28.738 0.055 0.000 0.911 14 Q HN 0.071 8.490 8.270 0.142 -0.063 0.438 15 D N 0.402 120.853 120.400 0.084 0.000 2.123 15 D HA -0.133 nan 4.640 nan 0.000 0.200 15 D C 2.438 178.919 176.300 0.301 0.000 0.976 15 D CA 3.435 57.501 54.000 0.110 0.000 0.831 15 D CB -0.016 40.657 40.800 -0.211 0.000 0.974 15 D HN 0.111 8.852 8.370 0.055 -0.339 0.469 16 V N 0.315 120.428 119.914 0.332 0.000 2.343 16 V HA -0.377 nan 4.120 nan 0.000 0.247 16 V C 1.806 177.987 176.094 0.144 0.000 1.051 16 V CA 4.216 66.685 62.300 0.282 0.000 1.036 16 V CB -0.879 31.095 31.823 0.253 0.000 0.654 16 V HN -0.313 8.065 8.190 0.312 0.000 0.451 17 A N -1.680 121.206 122.820 0.110 0.000 1.865 17 A HA -0.454 nan 4.320 nan 0.000 0.217 17 A C 2.170 179.765 177.584 0.019 0.000 1.191 17 A CA 3.439 55.498 52.037 0.036 0.000 0.623 17 A CB -0.844 18.175 19.000 0.032 0.000 0.826 17 A HN 0.027 8.269 8.150 0.154 0.000 0.444 18 Q N -1.990 117.812 119.800 0.004 0.000 2.084 18 Q HA -0.366 nan 4.340 nan 0.000 0.202 18 Q C 2.448 178.419 176.000 -0.048 0.000 0.978 18 Q CA 3.099 58.832 55.803 -0.117 0.000 0.844 18 Q CB 0.056 28.579 28.738 -0.357 0.000 0.898 18 Q HN -0.381 7.912 8.270 0.038 0.000 0.426 19 E N 0.126 120.414 120.200 0.146 0.000 2.110 19 E HA -0.253 nan 4.350 nan 0.000 0.193 19 E C 2.241 178.946 176.600 0.175 0.000 0.988 19 E CA 2.829 59.405 56.400 0.292 0.000 0.804 19 E CB -0.372 29.570 29.700 0.403 0.000 0.745 19 E HN -0.209 8.271 8.360 0.201 0.000 0.458 20 c N -0.646 118.003 118.600 0.081 0.000 2.429 20 c HA -0.298 nan 4.570 nan 0.000 0.277 20 c C 2.339 176.456 174.090 0.044 0.000 1.262 20 c CA 4.303 60.655 56.329 0.037 0.000 1.733 20 c CB -1.566 40.938 42.510 -0.010 0.000 2.010 20 c HN -0.020 8.239 8.230 0.071 0.013 0.483 21 E N -0.765 119.454 120.200 0.032 0.000 2.028 21 E HA -0.292 nan 4.350 nan 0.000 0.190 21 E C 2.294 178.922 176.600 0.046 0.000 0.984 21 E CA 2.614 59.027 56.400 0.021 0.000 0.800 21 E CB -0.059 29.639 29.700 -0.003 0.000 0.758 21 E HN -0.578 7.795 8.360 0.022 0.000 0.448 22 Q N -4.577 115.267 119.800 0.073 0.000 2.360 22 Q HA -0.102 nan 4.340 nan 0.000 0.202 22 Q C 0.388 176.523 176.000 0.225 0.000 0.915 22 Q CA 1.143 57.017 55.803 0.118 0.000 0.943 22 Q CB 0.982 29.778 28.738 0.097 0.000 1.064 22 Q HN -0.315 7.990 8.270 0.058 0.000 0.511 23 Y N -1.039 119.330 120.300 0.114 0.000 3.199 23 Y HA 0.069 nan 4.550 nan 0.000 0.211 23 Y C -0.597 175.403 175.900 0.167 0.000 0.959 23 Y CA 2.018 60.214 58.100 0.159 0.000 1.528 23 Y CB 2.565 41.153 38.460 0.214 0.000 1.487 23 Y HN -0.641 7.738 8.280 0.233 0.041 0.403 24 L N -0.578 120.777 121.223 0.220 0.000 2.042 24 L HA -0.465 nan 4.340 nan 0.000 0.210 24 L C 2.215 179.146 176.870 0.101 0.000 1.076 24 L CA 3.550 58.478 54.840 0.147 0.000 0.749 24 L CB -0.402 41.684 42.059 0.045 0.000 0.893 24 L HN 0.217 8.635 8.230 0.313 0.000 0.432 25 G N -1.819 107.011 108.800 0.051 0.000 2.484 25 G HA2 -0.134 nan 3.960 nan 0.000 0.215 25 G HA3 -0.134 nan 3.960 nan 0.000 0.215 25 G C -1.145 173.757 174.900 0.004 0.000 1.219 25 G CA 2.618 47.734 45.100 0.026 0.000 0.791 25 G HN -0.043 8.282 8.290 0.058 0.000 0.550 26 P HA -0.187 nan 4.420 nan 0.000 0.216 26 P C 0.756 178.016 177.300 -0.067 0.000 1.150 26 P CA 2.038 65.115 63.100 -0.038 0.000 0.843 26 P CB -0.178 31.497 31.700 -0.042 0.000 0.787 27 K N -5.921 114.408 120.400 -0.119 0.000 2.366 27 K HA -0.026 nan 4.320 nan 0.000 0.198 27 K C 0.883 177.450 176.600 -0.056 0.000 1.044 27 K CA -0.159 56.056 56.287 -0.119 0.000 0.973 27 K CB 0.132 32.483 32.500 -0.249 0.000 0.767 27 K HN -0.336 7.809 8.250 -0.145 0.017 0.475 28 G N -2.061 106.736 108.800 -0.005 0.000 2.131 28 G HA2 -0.386 nan 3.960 nan 0.000 0.223 28 G HA3 -0.386 nan 3.960 nan 0.000 0.223 28 G C -0.541 174.353 174.900 -0.009 0.000 0.990 28 G CA -0.142 44.945 45.100 -0.021 0.000 0.671 28 G HN -0.501 7.655 8.290 0.020 0.145 0.521 29 Y N -0.210 120.094 120.300 0.006 0.000 2.377 29 Y HA -0.283 nan 4.550 nan 0.000 0.330 29 Y C -0.300 175.612 175.900 0.020 0.000 1.108 29 Y CA 0.619 58.739 58.100 0.034 0.000 1.308 29 Y CB 0.258 38.742 38.460 0.039 0.000 1.216 29 Y HN -0.596 7.862 8.280 0.296 0.000 0.518 30 A N 5.081 128.019 122.820 0.196 0.000 1.929 30 A HA -0.121 nan 4.320 nan 0.000 0.216 30 A C -1.780 175.812 177.584 0.014 0.000 1.176 30 A CA 1.886 53.995 52.037 0.120 0.000 0.628 30 A CB 0.742 19.859 19.000 0.196 0.000 0.816 30 A HN 0.892 9.178 8.150 0.226 0.000 0.444 31 A N -6.821 115.984 122.820 -0.024 0.000 2.564 31 A HA 0.643 nan 4.320 nan 0.000 0.291 31 A C -2.509 174.946 177.584 -0.216 0.000 1.102 31 A CA -0.421 51.434 52.037 -0.304 0.000 0.660 31 A CB 2.537 20.968 19.000 -0.949 0.000 1.283 31 A HN -0.787 7.438 8.150 0.125 0.000 0.430 32 V N -1.537 118.192 119.914 -0.309 0.000 2.531 32 V HA 0.523 nan 4.120 nan 0.000 0.301 32 V C -1.947 174.091 176.094 -0.093 0.000 1.034 32 V CA -0.953 61.246 62.300 -0.168 0.000 0.865 32 V CB 3.079 34.795 31.823 -0.180 0.000 0.995 32 V HN 0.272 8.202 8.190 -0.433 0.000 0.424 33 Q N 6.947 126.826 119.800 0.132 0.000 2.296 33 Q HA 0.683 nan 4.340 nan 0.000 0.257 33 Q C -1.081 175.092 176.000 0.289 0.000 0.942 33 Q CA -0.825 55.142 55.803 0.274 0.000 0.939 33 Q CB 2.009 30.990 28.738 0.405 0.000 1.198 33 Q HN 0.629 8.999 8.270 0.167 0.000 0.429 34 V N 1.405 121.469 119.914 0.249 0.000 2.966 34 V HA 0.610 nan 4.120 nan 0.000 0.317 34 V C -1.068 175.295 176.094 0.448 0.000 1.070 34 V CA -3.102 59.406 62.300 0.347 0.000 1.008 34 V CB 1.651 33.604 31.823 0.215 0.000 1.070 34 V HN 0.237 8.543 8.190 0.193 0.000 0.457 35 S N 1.856 117.890 115.700 0.557 0.000 2.584 35 S HA 0.172 nan 4.470 nan 0.000 0.270 35 S C -1.710 173.145 174.600 0.425 0.000 1.346 35 S CA -0.666 57.804 58.200 0.450 0.000 1.018 35 S CB -0.580 62.812 63.200 0.319 0.000 0.899 35 S HN 0.303 8.988 8.310 0.624 0.000 0.542 36 P HA 0.071 nan 4.420 nan 0.000 0.260 36 P C -1.097 176.401 177.300 0.329 0.000 1.185 36 P CA -0.703 62.500 63.100 0.172 0.000 0.763 36 P CB -0.236 31.420 31.700 -0.073 0.000 0.776 37 P HA -0.073 nan 4.420 nan 0.000 0.251 37 P C -0.957 176.484 177.300 0.235 0.000 1.223 37 P CA 0.362 63.697 63.100 0.392 0.000 0.796 37 P CB 0.502 32.161 31.700 -0.068 0.000 1.068 38 N N -0.151 118.673 118.700 0.207 0.000 2.445 38 N HA -0.155 nan 4.740 nan 0.000 0.264 38 N C -0.910 174.671 175.510 0.118 0.000 1.227 38 N CA -1.026 52.087 53.050 0.105 0.000 0.963 38 N CB 0.841 39.312 38.487 -0.028 0.000 1.188 38 N HN -0.551 7.913 8.380 0.230 0.054 0.491 39 E N -0.237 119.966 120.200 0.006 0.000 2.415 39 E HA -0.146 nan 4.350 nan 0.000 0.263 39 E C -0.738 175.833 176.600 -0.049 0.000 0.995 39 E CA 0.789 57.143 56.400 -0.077 0.000 0.915 39 E CB 0.966 30.612 29.700 -0.090 0.000 0.951 39 E HN -0.127 8.218 8.360 -0.025 0.000 0.449 40 H N 1.416 120.476 119.070 -0.017 0.000 2.941 40 H HA 0.847 nan 4.556 nan 0.000 0.344 40 H C -0.336 174.998 175.328 0.011 0.000 1.235 40 H CA -2.680 53.355 56.048 -0.023 0.000 1.149 40 H CB 2.793 32.548 29.762 -0.011 0.000 1.885 40 H HN -0.052 7.831 8.280 -0.662 0.000 0.558 41 I N -5.385 115.301 120.570 0.193 0.000 2.993 41 I HA 0.051 nan 4.170 nan 0.000 0.286 41 I C 0.144 176.374 176.117 0.188 0.000 1.215 41 I CA 0.359 61.780 61.300 0.202 0.000 1.393 41 I CB 0.229 38.391 38.000 0.270 0.000 1.371 41 I HN -0.372 7.963 8.210 0.209 0.000 0.602 42 T N -1.010 113.621 114.554 0.128 0.000 2.904 42 T HA 0.179 nan 4.350 nan 0.000 0.290 42 T C -0.063 174.662 174.700 0.040 0.000 1.018 42 T CA -0.411 61.729 62.100 0.065 0.000 1.075 42 T CB 0.507 69.397 68.868 0.036 0.000 0.986 42 T HN 0.060 8.397 8.240 0.161 0.000 0.523 43 G N 1.089 109.885 108.800 -0.007 0.000 2.334 43 G HA2 -0.145 nan 3.960 nan 0.000 0.566 43 G HA3 -0.145 nan 3.960 nan 0.000 0.566 43 G C -1.552 173.277 174.900 -0.119 0.000 1.413 43 G CA -0.326 44.727 45.100 -0.078 0.000 0.993 43 G HN -0.699 7.593 8.290 0.002 0.000 0.642 44 S N -1.999 113.608 115.700 -0.154 0.000 2.548 44 S HA 0.042 nan 4.470 nan 0.000 0.215 44 S C 0.002 174.471 174.600 -0.218 0.000 0.976 44 S CA 0.529 58.639 58.200 -0.150 0.000 0.908 44 S CB 0.974 64.110 63.200 -0.106 0.000 0.781 44 S HN 0.140 8.360 8.310 -0.151 0.000 0.519 45 Q N 0.923 120.477 119.800 -0.410 0.000 2.373 45 Q HA -0.008 nan 4.340 nan 0.000 0.255 45 Q C 1.032 176.701 176.000 -0.552 0.000 0.980 45 Q CA 0.123 55.552 55.803 -0.624 0.000 0.882 45 Q CB 0.395 28.280 28.738 -1.421 0.000 1.249 45 Q HN -0.540 7.406 8.270 -0.457 0.050 0.438 46 W N 2.366 123.530 121.300 -0.227 0.000 2.338 46 W HA -0.224 nan 4.660 nan 0.000 0.304 46 W C 1.031 177.663 176.519 0.189 0.000 1.212 46 W CA 2.312 59.679 57.345 0.036 0.000 1.264 46 W CB -0.736 28.937 29.460 0.355 0.000 1.142 46 W HN 0.038 8.241 8.180 0.038 0.000 0.512 47 W N -2.730 117.955 121.300 -1.025 0.000 2.721 47 W HA -0.144 nan 4.660 nan 0.000 0.245 47 W C 1.303 177.696 176.519 -0.209 0.000 1.276 47 W CA -0.299 56.521 57.345 -0.876 0.000 1.342 47 W CB -1.196 27.519 29.460 -1.243 0.000 1.135 47 W HN -0.034 7.036 8.180 -1.849 0.000 0.654 48 T N -1.100 113.387 114.554 -0.112 0.000 2.962 48 T HA -0.213 nan 4.350 nan 0.000 0.270 48 T C 2.105 176.782 174.700 -0.039 0.000 1.088 48 T CA 2.812 64.919 62.100 0.011 0.000 1.127 48 T CB -0.448 68.350 68.868 -0.117 0.000 0.883 48 T HN -0.430 7.466 8.240 -0.450 0.073 0.493 49 R N 0.606 120.981 120.500 -0.208 0.000 2.235 49 R HA -0.177 nan 4.340 nan 0.000 0.213 49 R C 0.964 177.056 176.300 -0.347 0.000 1.059 49 R CA 1.077 56.902 56.100 -0.458 0.000 0.997 49 R CB -0.518 29.502 30.300 -0.467 0.000 0.884 49 R HN -0.487 7.682 8.270 -0.104 0.039 0.462 50 Y N -4.150 116.236 120.300 0.145 0.000 2.532 50 Y HA 0.027 nan 4.550 nan 0.000 0.283 50 Y C -1.097 174.957 175.900 0.256 0.000 1.181 50 Y CA -0.402 57.834 58.100 0.226 0.000 1.256 50 Y CB -0.102 38.527 38.460 0.281 0.000 1.112 50 Y HN -0.768 7.507 8.280 0.277 0.172 0.521 51 Q N -0.476 119.469 119.800 0.242 0.000 2.798 51 Q HA 0.459 nan 4.340 nan 0.000 0.250 51 Q C -2.871 173.174 176.000 0.076 0.000 1.006 51 Q CA -3.205 52.715 55.803 0.195 0.000 0.759 51 Q CB 1.067 29.932 28.738 0.211 0.000 1.201 51 Q HN -0.547 7.740 8.270 0.170 0.085 0.486 52 P HA 0.022 nan 4.420 nan 0.000 0.271 52 P C -1.158 176.000 177.300 -0.237 0.000 1.218 52 P CA 0.422 63.464 63.100 -0.097 0.000 0.780 52 P CB 0.510 32.133 31.700 -0.128 0.000 0.901 53 V N -0.270 119.524 119.914 -0.201 0.000 3.151 53 V HA 0.235 nan 4.120 nan 0.000 0.241 53 V C -0.914 175.082 176.094 -0.163 0.000 1.173 53 V CA 0.454 62.667 62.300 -0.145 0.000 1.154 53 V CB 1.380 33.154 31.823 -0.082 0.000 0.898 53 V HN 0.406 8.411 8.190 -0.143 0.099 0.473 54 S N -2.670 112.862 115.700 -0.280 0.000 2.703 54 S HA 0.264 nan 4.470 nan 0.000 0.273 54 S C -1.718 172.585 174.600 -0.494 0.000 1.178 54 S CA -0.693 57.238 58.200 -0.448 0.000 0.838 54 S CB 1.751 64.816 63.200 -0.226 0.000 1.178 54 S HN -0.720 7.458 8.310 -0.220 0.000 0.494 55 Y N -3.077 117.050 120.300 -0.288 0.000 2.468 55 Y HA 0.120 nan 4.550 nan 0.000 0.268 55 Y C -0.311 175.459 175.900 -0.217 0.000 1.177 55 Y CA -1.956 55.874 58.100 -0.450 0.000 1.265 55 Y CB -0.315 37.814 38.460 -0.552 0.000 1.103 55 Y HN 0.210 8.206 8.280 -0.474 0.000 0.522 56 E N 0.326 120.512 120.200 -0.024 0.000 2.384 56 E HA -0.045 nan 4.350 nan 0.000 0.266 56 E C 0.307 176.923 176.600 0.028 0.000 1.012 56 E CA -0.166 56.243 56.400 0.014 0.000 0.901 56 E CB 0.835 30.532 29.700 -0.006 0.000 0.967 56 E HN -0.828 7.414 8.360 -0.085 0.067 0.435 57 L N 4.278 125.525 121.223 0.039 0.000 2.533 57 L HA -0.053 nan 4.340 nan 0.000 0.239 57 L C -1.181 175.741 176.870 0.086 0.000 1.376 57 L CA -0.358 54.497 54.840 0.025 0.000 1.240 57 L CB -1.791 40.217 42.059 -0.085 0.000 1.487 57 L HN 0.243 8.498 8.230 0.043 0.000 0.419 58 Q N 2.430 122.275 119.800 0.075 0.000 2.397 58 Q HA 0.287 nan 4.340 nan 0.000 0.260 58 Q C -1.949 174.068 176.000 0.028 0.000 1.002 58 Q CA -0.748 55.094 55.803 0.065 0.000 0.716 58 Q CB 2.176 30.926 28.738 0.020 0.000 1.258 58 Q HN 0.036 8.269 8.270 0.049 0.066 0.477 59 S N 4.414 120.174 115.700 0.101 0.000 2.851 59 S HA 0.620 nan 4.470 nan 0.000 0.313 59 S C 0.248 174.900 174.600 0.087 0.000 1.163 59 S CA -1.925 56.347 58.200 0.121 0.000 0.850 59 S CB 2.869 66.292 63.200 0.372 0.000 1.245 59 S HN 0.679 9.087 8.310 0.163 0.000 0.558 60 R N 1.193 121.836 120.500 0.238 0.000 2.193 60 R HA -0.165 nan 4.340 nan 0.000 0.229 60 R C 1.025 177.205 176.300 -0.200 0.000 1.110 60 R CA 2.273 58.392 56.100 0.030 0.000 0.988 60 R CB -0.077 30.258 30.300 0.059 0.000 0.871 60 R HN 0.108 8.832 8.270 0.756 0.000 0.458 61 G N -4.330 104.228 108.800 -0.403 0.000 2.511 61 G HA2 0.009 nan 3.960 nan 0.000 0.217 61 G HA3 0.009 nan 3.960 nan 0.000 0.217 61 G C -1.324 172.932 174.900 -1.073 0.000 1.133 61 G CA -0.507 43.918 45.100 -1.125 0.000 0.792 61 G HN -0.415 7.715 8.290 -0.200 0.040 0.539 62 G N -1.482 107.067 108.800 -0.417 0.000 2.340 62 G HA2 -0.162 nan 3.960 nan 0.000 0.282 62 G HA3 -0.162 nan 3.960 nan 0.000 0.282 62 G C -2.819 172.205 174.900 0.207 0.000 1.312 62 G CA -0.484 44.576 45.100 -0.066 0.000 0.942 62 G HN -0.699 7.311 8.290 -0.214 0.151 0.495 63 N N -1.413 117.437 118.700 0.249 0.000 2.604 63 N HA 0.379 nan 4.740 nan 0.000 0.297 63 N C 0.919 176.605 175.510 0.294 0.000 1.266 63 N CA -2.532 50.653 53.050 0.224 0.000 0.961 63 N CB 1.380 39.947 38.487 0.133 0.000 1.166 63 N HN 0.019 8.833 8.380 0.227 -0.298 0.601 64 R N -0.360 120.257 120.500 0.195 0.000 2.105 64 R HA -0.359 nan 4.340 nan 0.000 0.239 64 R C 1.281 177.707 176.300 0.210 0.000 1.135 64 R CA 3.824 60.034 56.100 0.183 0.000 0.967 64 R CB -0.257 30.109 30.300 0.109 0.000 0.861 64 R HN 0.494 8.851 8.270 0.144 0.000 0.442 65 A N -1.696 121.226 122.820 0.169 0.000 1.929 65 A HA -0.178 nan 4.320 nan 0.000 0.216 65 A C 2.548 180.228 177.584 0.161 0.000 1.176 65 A CA 2.703 54.823 52.037 0.138 0.000 0.628 65 A CB -0.848 18.212 19.000 0.101 0.000 0.816 65 A HN -0.425 7.904 8.150 0.152 -0.088 0.444 66 Q N -0.887 119.048 119.800 0.225 0.000 2.172 66 Q HA -0.286 nan 4.340 nan 0.000 0.200 66 Q C 2.344 178.523 176.000 0.298 0.000 0.964 66 Q CA 2.688 58.651 55.803 0.267 0.000 0.855 66 Q CB 0.088 29.017 28.738 0.318 0.000 0.918 66 Q HN -0.313 8.387 8.270 0.238 -0.287 0.444 67 F N 1.823 121.862 119.950 0.149 0.000 2.113 67 F HA -0.323 nan 4.527 nan 0.000 0.297 67 F C 1.169 176.876 175.800 -0.155 0.000 1.103 67 F CA 3.844 61.716 58.000 -0.215 0.000 1.248 67 F CB 0.371 39.223 39.000 -0.246 0.000 0.999 67 F HN -0.130 8.458 8.300 0.480 0.000 0.475 68 I N -2.064 118.573 120.570 0.112 0.000 2.286 68 I HA -0.627 nan 4.170 nan 0.000 0.248 68 I C 1.475 177.556 176.117 -0.061 0.000 1.115 68 I CA 3.802 65.113 61.300 0.018 0.000 1.392 68 I CB -0.606 37.450 38.000 0.093 0.000 1.065 68 I HN -0.231 8.132 8.210 0.256 0.000 0.418 69 D N 0.034 120.425 120.400 -0.015 0.000 2.117 69 D HA -0.314 nan 4.640 nan 0.000 0.197 69 D C 1.943 178.200 176.300 -0.072 0.000 0.987 69 D CA 3.304 57.294 54.000 -0.017 0.000 0.829 69 D CB 0.059 40.878 40.800 0.032 0.000 0.961 69 D HN -0.485 7.815 8.370 0.042 0.096 0.460 70 M N -0.259 119.266 119.600 -0.125 0.000 2.086 70 M HA -0.360 nan 4.480 nan 0.000 0.261 70 M C 1.831 177.971 176.300 -0.266 0.000 1.067 70 M CA 4.089 59.280 55.300 -0.182 0.000 1.116 70 M CB 0.140 32.598 32.600 -0.237 0.000 1.348 70 M HN -0.452 7.774 8.290 -0.107 0.000 0.407 71 V N -0.766 118.912 119.914 -0.394 0.000 2.490 71 V HA -0.521 nan 4.120 nan 0.000 0.250 71 V C 2.311 178.297 176.094 -0.179 0.000 1.061 71 V CA 4.287 66.387 62.300 -0.333 0.000 1.064 71 V CB -1.480 30.114 31.823 -0.383 0.000 0.670 71 V HN 0.002 7.899 8.190 -0.488 0.000 0.461 72 N N -0.371 118.251 118.700 -0.131 0.000 2.106 72 N HA -0.207 nan 4.740 nan 0.000 0.188 72 N C 2.320 177.790 175.510 -0.067 0.000 1.029 72 N CA 3.214 56.218 53.050 -0.077 0.000 0.848 72 N CB -0.497 37.961 38.487 -0.049 0.000 1.007 72 N HN -0.242 8.039 8.380 -0.141 0.014 0.423 73 R N 0.632 121.091 120.500 -0.068 0.000 2.075 73 R HA -0.207 nan 4.340 nan 0.000 0.232 73 R C 2.472 178.739 176.300 -0.055 0.000 1.126 73 R CA 3.424 59.493 56.100 -0.051 0.000 0.963 73 R CB -0.034 30.243 30.300 -0.039 0.000 0.858 73 R HN -0.153 8.070 8.270 -0.079 0.000 0.435 74 c N -1.081 117.471 118.600 -0.080 0.000 2.429 74 c HA -0.215 nan 4.570 nan 0.000 0.277 74 c C 2.156 176.204 174.090 -0.072 0.000 1.262 74 c CA 4.211 60.492 56.329 -0.079 0.000 1.733 74 c CB -1.951 40.489 42.510 -0.118 0.000 2.010 74 c HN 0.162 8.330 8.230 -0.103 0.000 0.483 75 S N 0.157 115.808 115.700 -0.081 0.000 2.382 75 S HA -0.282 nan 4.470 nan 0.000 0.228 75 S C 2.119 176.693 174.600 -0.043 0.000 1.027 75 S CA 3.359 61.521 58.200 -0.064 0.000 0.991 75 S CB -0.365 62.794 63.200 -0.068 0.000 0.823 75 S HN -0.303 7.949 8.310 -0.097 0.000 0.469 76 A N 1.167 123.963 122.820 -0.039 0.000 2.067 76 A HA -0.091 nan 4.320 nan 0.000 0.219 76 A C 0.750 178.321 177.584 -0.022 0.000 1.158 76 A CA 2.271 54.291 52.037 -0.027 0.000 0.661 76 A CB -0.633 18.352 19.000 -0.024 0.000 0.801 76 A HN -0.338 7.784 8.150 -0.046 0.000 0.452 77 A N -4.099 118.706 122.820 -0.024 0.000 2.275 77 A HA 0.138 nan 4.320 nan 0.000 0.212 77 A C 0.194 177.769 177.584 -0.014 0.000 1.201 77 A CA -0.672 51.356 52.037 -0.015 0.000 0.843 77 A CB 0.124 19.117 19.000 -0.011 0.000 0.873 77 A HN -0.737 7.236 8.150 -0.032 0.158 0.492 78 G N -2.262 106.525 108.800 -0.021 0.000 2.132 78 G HA2 -0.202 nan 3.960 nan 0.000 0.234 78 G HA3 -0.202 nan 3.960 nan 0.000 0.234 78 G C -0.700 174.187 174.900 -0.022 0.000 0.989 78 G CA -0.010 45.078 45.100 -0.019 0.000 0.676 78 G HN -0.500 7.568 8.290 -0.028 0.205 0.522 79 V N 0.643 120.534 119.914 -0.038 0.000 2.409 79 V HA 0.172 nan 4.120 nan 0.000 0.291 79 V C -0.827 175.206 176.094 -0.103 0.000 1.020 79 V CA -1.080 61.186 62.300 -0.057 0.000 0.848 79 V CB 0.524 32.317 31.823 -0.051 0.000 0.990 79 V HN -0.259 7.905 8.190 -0.042 0.000 0.430 80 D N 5.563 125.883 120.400 -0.133 0.000 2.344 80 D HA 0.196 nan 4.640 nan 0.000 0.244 80 D C -1.085 175.053 176.300 -0.269 0.000 1.134 80 D CA -0.435 53.466 54.000 -0.166 0.000 0.930 80 D CB 1.601 42.336 40.800 -0.109 0.000 1.175 80 D HN -0.091 8.207 8.370 -0.121 0.000 0.437 81 I N -0.404 120.035 120.570 -0.219 0.000 2.404 81 I HA 0.542 nan 4.170 nan 0.000 0.293 81 I C -1.261 174.801 176.117 -0.090 0.000 0.992 81 I CA -1.376 59.786 61.300 -0.229 0.000 1.149 81 I CB 1.109 38.944 38.000 -0.274 0.000 1.315 81 I HN 0.314 8.428 8.210 -0.160 0.000 0.446 82 Y N 5.713 125.908 120.300 -0.175 0.000 2.328 82 Y HA 0.336 nan 4.550 nan 0.000 0.337 82 Y C -1.443 174.369 175.900 -0.146 0.000 0.966 82 Y CA -3.321 54.651 58.100 -0.213 0.000 1.136 82 Y CB 0.705 39.129 38.460 -0.059 0.000 1.170 82 Y HN 0.635 8.858 8.280 -0.095 0.000 0.470 83 V N 4.540 124.401 119.914 -0.089 0.000 2.465 83 V HA 0.067 nan 4.120 nan 0.000 0.279 83 V C -0.785 175.400 176.094 0.152 0.000 1.045 83 V CA -0.921 61.416 62.300 0.062 0.000 0.938 83 V CB 0.895 32.760 31.823 0.071 0.000 0.986 83 V HN 0.232 8.181 8.190 -0.402 0.000 0.467 84 D N 7.994 128.504 120.400 0.184 0.000 2.346 84 D HA 0.101 nan 4.640 nan 0.000 0.260 84 D C -0.524 175.911 176.300 0.225 0.000 1.252 84 D CA 0.198 54.307 54.000 0.181 0.000 0.895 84 D CB 0.797 41.721 40.800 0.205 0.000 1.097 84 D HN -0.004 8.489 8.370 0.205 0.000 0.489 85 T N 8.120 122.827 114.554 0.256 0.000 2.771 85 T HA 0.305 nan 4.350 nan 0.000 0.281 85 T C -0.855 173.921 174.700 0.127 0.000 0.982 85 T CA -0.838 61.413 62.100 0.252 0.000 0.978 85 T CB 1.584 70.636 68.868 0.306 0.000 0.930 85 T HN 0.639 8.920 8.240 0.242 0.104 0.447 86 L N 6.943 128.198 121.223 0.052 0.000 2.302 86 L HA 0.329 nan 4.340 nan 0.000 0.285 86 L C -0.201 176.565 176.870 -0.174 0.000 1.090 86 L CA -0.512 54.283 54.840 -0.076 0.000 0.866 86 L CB -1.604 40.379 42.059 -0.127 0.000 1.244 86 L HN 0.627 8.912 8.230 0.093 0.000 0.435 87 I N -0.519 119.923 120.570 -0.214 0.000 3.968 87 I HA 0.037 nan 4.170 nan 0.000 0.328 87 I C -0.295 175.704 176.117 -0.198 0.000 1.290 87 I CA 0.146 61.281 61.300 -0.275 0.000 1.163 87 I CB 0.617 38.340 38.000 -0.461 0.000 1.024 87 I HN -0.290 7.827 8.210 -0.155 0.000 0.413 88 N N -2.038 116.565 118.700 -0.161 0.000 2.415 88 N HA -0.038 nan 4.740 nan 0.000 0.174 88 N C -1.352 174.161 175.510 0.005 0.000 1.048 88 N CA 1.061 54.095 53.050 -0.026 0.000 0.895 88 N CB 1.642 40.232 38.487 0.171 0.000 1.036 88 N HN 0.047 8.297 8.380 -0.217 0.000 0.449 89 H N -7.257 111.787 119.070 -0.043 0.000 2.918 89 H HA 0.582 nan 4.556 nan 0.000 0.303 89 H C -1.850 173.440 175.328 -0.063 0.000 1.380 89 H CA -1.399 54.626 56.048 -0.037 0.000 1.134 89 H CB 1.749 31.501 29.762 -0.017 0.000 1.842 89 H HN -0.637 7.259 8.280 -0.641 0.000 0.533 90 M N -3.073 116.573 119.600 0.077 0.000 2.755 90 M HA 0.397 nan 4.480 nan 0.000 0.298 90 M C -1.144 175.169 176.300 0.021 0.000 1.251 90 M CA -2.442 52.756 55.300 -0.170 0.000 0.817 90 M CB 3.907 36.066 32.600 -0.735 0.000 1.760 90 M HN 0.181 8.580 8.290 0.181 0.000 0.473 91 A N -1.594 121.200 122.820 -0.043 0.000 2.475 91 A HA -0.002 nan 4.320 nan 0.000 0.239 91 A C -0.896 176.818 177.584 0.217 0.000 1.087 91 A CA 0.450 52.530 52.037 0.072 0.000 0.779 91 A CB 0.190 19.084 19.000 -0.176 0.000 1.036 91 A HN 0.171 8.183 8.150 -0.230 0.000 0.506 92 A N -0.105 122.842 122.820 0.211 0.000 2.303 92 A HA 0.485 nan 4.320 nan 0.000 0.317 92 A C -0.259 177.487 177.584 0.271 0.000 1.149 92 A CA -0.935 51.210 52.037 0.180 0.000 0.822 92 A CB 0.835 19.879 19.000 0.073 0.000 1.131 92 A HN -0.394 8.137 8.150 0.191 -0.267 0.493 93 G N 3.031 111.932 108.800 0.168 0.000 2.528 93 G HA2 -0.259 nan 3.960 nan 0.000 0.262 93 G HA3 -0.259 nan 3.960 nan 0.000 0.262 93 G C -1.866 173.051 174.900 0.027 0.000 1.200 93 G CA 0.202 45.353 45.100 0.085 0.000 0.951 93 G HN 0.487 8.842 8.290 0.109 0.000 0.566 94 S N 0.383 115.954 115.700 -0.214 0.000 2.548 94 S HA 0.537 nan 4.470 nan 0.000 0.286 94 S C -0.969 173.121 174.600 -0.849 0.000 1.098 94 S CA -0.998 56.770 58.200 -0.721 0.000 0.930 94 S CB 2.951 65.883 63.200 -0.446 0.000 1.070 94 S HN -0.159 8.074 8.310 -0.130 0.000 0.480 95 G N 0.337 108.273 108.800 -1.439 0.000 2.392 95 G HA2 0.055 nan 3.960 nan 0.000 0.260 95 G HA3 0.055 nan 3.960 nan 0.000 0.260 95 G C -2.906 171.765 174.900 -0.381 0.000 1.226 95 G CA 1.042 45.755 45.100 -0.644 0.000 0.913 95 G HN -0.191 6.831 8.290 -2.113 0.000 0.483 96 T N 2.122 116.698 114.554 0.036 0.000 2.908 96 T HA 0.820 nan 4.350 nan 0.000 0.290 96 T C -0.958 173.891 174.700 0.249 0.000 1.034 96 T CA -0.551 61.627 62.100 0.130 0.000 1.010 96 T CB 3.042 71.933 68.868 0.037 0.000 1.068 96 T HN 0.280 8.561 8.240 0.069 0.000 0.481 97 G N 0.815 109.724 108.800 0.183 0.000 2.509 97 G HA2 0.624 nan 3.960 nan 0.000 0.328 97 G HA3 0.624 nan 3.960 nan 0.000 0.328 97 G C 0.770 175.654 174.900 -0.026 0.000 1.194 97 G CA -1.298 43.849 45.100 0.078 0.000 0.967 97 G HN -0.024 8.359 8.290 0.155 0.000 0.488 98 T N -3.081 111.382 114.554 -0.152 0.000 3.051 98 T HA -0.229 nan 4.350 nan 0.000 0.269 98 T C 0.556 175.197 174.700 -0.098 0.000 1.127 98 T CA 2.541 64.534 62.100 -0.179 0.000 1.107 98 T CB -0.288 68.345 68.868 -0.391 0.000 0.898 98 T HN 0.138 8.235 8.240 -0.239 0.000 0.517 99 A N 0.169 122.949 122.820 -0.067 0.000 2.348 99 A HA 0.313 nan 4.320 nan 0.000 0.224 99 A C 0.193 177.770 177.584 -0.012 0.000 1.227 99 A CA -0.168 51.850 52.037 -0.032 0.000 0.885 99 A CB 0.733 19.718 19.000 -0.026 0.000 0.933 99 A HN -0.203 8.105 8.150 -0.070 -0.199 0.506 100 G N -1.742 107.055 108.800 -0.005 0.000 2.201 100 G HA2 -0.317 nan 3.960 nan 0.000 0.212 100 G HA3 -0.317 nan 3.960 nan 0.000 0.212 100 G C -0.476 174.437 174.900 0.021 0.000 0.994 100 G CA -0.370 44.733 45.100 0.006 0.000 0.644 100 G HN -0.303 7.815 8.290 -0.010 0.166 0.508 101 N N 2.255 120.977 118.700 0.037 0.000 2.520 101 N HA 0.076 nan 4.740 nan 0.000 0.273 101 N C -1.017 174.562 175.510 0.116 0.000 1.155 101 N CA 0.554 53.641 53.050 0.063 0.000 0.967 101 N CB 0.939 39.465 38.487 0.065 0.000 1.092 101 N HN -0.402 8.149 8.380 0.026 -0.155 0.457 102 S N 1.243 116.991 115.700 0.079 0.000 2.651 102 S HA 0.737 nan 4.470 nan 0.000 0.291 102 S C -0.843 173.809 174.600 0.088 0.000 1.141 102 S CA -0.649 57.579 58.200 0.046 0.000 1.027 102 S CB 2.375 65.538 63.200 -0.061 0.000 1.043 102 S HN 0.002 8.340 8.310 0.046 0.000 0.530 103 F N -3.703 116.144 119.950 -0.172 0.000 2.715 103 F HA 0.644 nan 4.527 nan 0.000 0.318 103 F C -1.602 173.982 175.800 -0.360 0.000 1.141 103 F CA -1.468 56.300 58.000 -0.387 0.000 0.950 103 F CB 2.239 40.842 39.000 -0.662 0.000 1.374 103 F HN 0.082 8.111 8.300 -0.453 0.000 0.477 104 G N -2.434 106.111 108.800 -0.424 0.000 2.443 104 G HA2 -0.005 nan 3.960 nan 0.000 0.303 104 G HA3 -0.005 nan 3.960 nan 0.000 0.303 104 G C -2.110 172.651 174.900 -0.232 0.000 1.613 104 G CA 0.412 45.297 45.100 -0.359 0.000 0.879 104 G HN -0.148 7.862 8.290 -0.466 0.000 0.632 105 N N 1.957 120.562 118.700 -0.158 0.000 2.686 105 N HA -0.507 nan 4.740 nan 0.000 0.261 105 N C -0.152 175.287 175.510 -0.119 0.000 1.001 105 N CA 0.958 53.942 53.050 -0.110 0.000 0.764 105 N CB -1.505 36.931 38.487 -0.085 0.000 0.898 105 N HN 0.330 8.622 8.380 -0.147 0.000 0.544 106 K N -9.174 111.127 120.400 -0.165 0.000 3.088 106 K HA -0.470 nan 4.320 nan 0.000 0.273 106 K C -1.542 175.071 176.600 0.022 0.000 1.111 106 K CA 1.392 57.544 56.287 -0.224 0.000 0.803 106 K CB -1.199 31.118 32.500 -0.305 0.000 1.226 106 K HN 0.480 8.646 8.250 -0.141 0.000 0.485 107 S N -1.408 114.217 115.700 -0.125 0.000 2.640 107 S HA 0.371 nan 4.470 nan 0.000 0.320 107 S C -1.404 173.083 174.600 -0.189 0.000 1.097 107 S CA -0.812 57.389 58.200 0.001 0.000 1.092 107 S CB 0.818 63.997 63.200 -0.034 0.000 0.988 107 S HN -0.521 7.455 8.310 -0.312 0.146 0.470 108 F N 7.067 127.151 119.950 0.223 0.000 2.639 108 F HA 0.479 nan 4.527 nan 0.000 0.339 108 F C -0.736 175.118 175.800 0.091 0.000 1.071 108 F CA -2.724 55.382 58.000 0.178 0.000 0.994 108 F CB 0.776 39.896 39.000 0.200 0.000 1.341 108 F HN 0.697 9.326 8.300 0.549 0.000 0.498 109 P HA -0.068 nan 4.420 nan 0.000 0.230 109 P C -1.121 176.189 177.300 0.018 0.000 1.158 109 P CA 2.233 65.383 63.100 0.083 0.000 0.769 109 P CB 0.032 31.756 31.700 0.040 0.000 0.807 110 I N -11.599 108.946 120.570 -0.042 0.000 4.338 110 I HA 0.285 nan 4.170 nan 0.000 0.329 110 I C -2.006 173.941 176.117 -0.285 0.000 1.378 110 I CA -0.915 60.242 61.300 -0.239 0.000 1.170 110 I CB 1.467 39.141 38.000 -0.543 0.000 1.206 110 I HN -0.346 7.839 8.210 0.050 0.056 0.432 111 Y N -1.229 119.201 120.300 0.216 0.000 2.534 111 Y HA 0.551 nan 4.550 nan 0.000 0.345 111 Y C -1.716 174.398 175.900 0.357 0.000 1.031 111 Y CA -1.490 56.764 58.100 0.256 0.000 1.022 111 Y CB 3.644 42.203 38.460 0.164 0.000 1.292 111 Y HN -0.968 7.367 8.280 0.271 0.108 0.459 112 S N 0.698 116.681 115.700 0.471 0.000 2.689 112 S HA 0.631 nan 4.470 nan 0.000 0.306 112 S C -0.967 173.903 174.600 0.450 0.000 1.104 112 S CA -3.132 55.285 58.200 0.362 0.000 0.973 112 S CB 0.432 63.743 63.200 0.185 0.000 1.121 112 S HN 0.380 9.271 8.310 0.413 -0.333 0.523 113 P HA -0.238 nan 4.420 nan 0.000 0.217 113 P C 0.937 178.441 177.300 0.340 0.000 1.151 113 P CA 2.988 66.289 63.100 0.335 0.000 0.849 113 P CB -0.142 31.657 31.700 0.165 0.000 0.787 114 Q N -4.022 115.905 119.800 0.212 0.000 2.437 114 Q HA -0.213 nan 4.340 nan 0.000 0.210 114 Q C 0.570 176.621 176.000 0.085 0.000 0.972 114 Q CA 2.272 58.156 55.803 0.135 0.000 0.903 114 Q CB -1.135 27.651 28.738 0.079 0.000 0.967 114 Q HN 0.271 8.626 8.270 0.183 0.024 0.486 115 D N -0.363 120.063 120.400 0.043 0.000 2.340 115 D HA 0.093 nan 4.640 nan 0.000 0.220 115 D C -1.596 174.325 176.300 -0.632 0.000 1.039 115 D CA 1.446 55.291 54.000 -0.258 0.000 0.866 115 D CB 0.675 41.295 40.800 -0.299 0.000 0.913 115 D HN -0.101 8.202 8.370 0.172 0.171 0.523 116 F N -1.911 117.992 119.950 -0.079 0.000 2.575 116 F HA 0.434 nan 4.527 nan 0.000 0.330 116 F C 0.272 176.045 175.800 -0.045 0.000 1.056 116 F CA -1.464 56.454 58.000 -0.138 0.000 0.964 116 F CB 3.148 42.115 39.000 -0.055 0.000 1.258 116 F HN -0.676 7.666 8.300 0.200 0.079 0.484 117 H N -0.826 118.350 119.070 0.177 0.000 2.607 117 H HA 0.024 nan 4.556 nan 0.000 0.367 117 H C -1.176 174.222 175.328 0.116 0.000 1.181 117 H CA -0.983 55.127 56.048 0.102 0.000 1.402 117 H CB 1.290 31.079 29.762 0.044 0.000 1.474 117 H HN 0.386 8.700 8.280 0.057 0.000 0.596 118 E N 1.967 122.302 120.200 0.224 0.000 2.392 118 E HA -0.275 nan 4.350 nan 0.000 0.264 118 E C -0.930 175.740 176.600 0.117 0.000 1.024 118 E CA -0.033 56.454 56.400 0.144 0.000 0.903 118 E CB 0.717 30.486 29.700 0.115 0.000 0.963 118 E HN 0.354 8.846 8.360 0.221 0.000 0.432 119 S N 3.378 119.128 115.700 0.082 0.000 2.552 119 S HA -0.018 nan 4.470 nan 0.000 0.289 119 S C -0.975 173.652 174.600 0.045 0.000 1.304 119 S CA 1.413 59.646 58.200 0.054 0.000 1.063 119 S CB 0.741 63.959 63.200 0.029 0.000 0.848 119 S HN 0.093 8.449 8.310 0.076 0.000 0.499 120 c N -0.293 118.326 118.600 0.032 0.000 3.283 120 c HA 0.210 nan 4.570 nan 0.000 0.359 120 c C -1.325 172.767 174.090 0.004 0.000 1.160 120 c CA -2.275 54.067 56.329 0.022 0.000 1.232 120 c CB 2.726 45.256 42.510 0.034 0.000 1.571 120 c HN -0.246 8.001 8.230 0.028 0.000 0.522 121 T N 2.035 116.589 114.554 0.000 0.000 2.845 121 T HA 0.482 nan 4.350 nan 0.000 0.288 121 T C -0.870 173.818 174.700 -0.019 0.000 0.980 121 T CA 0.093 62.187 62.100 -0.010 0.000 1.071 121 T CB 0.785 69.651 68.868 -0.004 0.000 0.941 121 T HN 0.275 8.520 8.240 0.007 0.000 0.487 122 I N 4.836 125.386 120.570 -0.034 0.000 2.352 122 I HA -0.137 nan 4.170 nan 0.000 0.290 122 I C -0.829 175.278 176.117 -0.016 0.000 1.036 122 I CA 0.118 61.379 61.300 -0.066 0.000 1.336 122 I CB 0.106 38.038 38.000 -0.114 0.000 1.407 122 I HN -0.344 7.846 8.210 -0.033 0.000 0.497 123 N N 8.007 126.703 118.700 -0.007 0.000 2.492 123 N HA 0.197 nan 4.740 nan 0.000 0.289 123 N C 0.692 176.271 175.510 0.114 0.000 1.133 123 N CA -0.450 52.628 53.050 0.047 0.000 0.961 123 N CB 1.472 39.980 38.487 0.035 0.000 1.186 123 N HN -0.502 8.063 8.380 -0.031 -0.204 0.493 124 N N 1.993 120.794 118.700 0.168 0.000 2.334 124 N HA -0.341 nan 4.740 nan 0.000 0.187 124 N C 0.673 176.329 175.510 0.242 0.000 1.016 124 N CA 2.921 56.126 53.050 0.258 0.000 0.879 124 N CB -0.381 38.183 38.487 0.129 0.000 0.965 124 N HN 0.556 9.007 8.380 0.119 0.000 0.438 125 S N -3.651 112.130 115.700 0.136 0.000 2.527 125 S HA -0.046 nan 4.470 nan 0.000 0.222 125 S C 0.898 175.550 174.600 0.087 0.000 0.985 125 S CA 2.264 60.525 58.200 0.101 0.000 0.921 125 S CB -0.464 62.773 63.200 0.062 0.000 0.772 125 S HN -0.092 8.236 8.310 0.104 0.045 0.529 126 D N 2.689 123.123 120.400 0.056 0.000 2.234 126 D HA -0.058 nan 4.640 nan 0.000 0.205 126 D C 2.099 178.377 176.300 -0.036 0.000 0.962 126 D CA 2.631 56.615 54.000 -0.027 0.000 0.855 126 D CB -0.377 40.352 40.800 -0.119 0.000 0.951 126 D HN -0.052 8.192 8.370 0.067 0.166 0.500 127 Y N -0.638 119.669 120.300 0.012 0.000 2.224 127 Y HA -0.323 nan 4.550 nan 0.000 0.289 127 Y C 1.739 177.641 175.900 0.004 0.000 1.146 127 Y CA 3.787 61.885 58.100 -0.003 0.000 1.182 127 Y CB -0.369 38.087 38.460 -0.008 0.000 0.983 127 Y HN -0.725 7.685 8.280 0.216 0.000 0.524 128 G N -4.009 104.892 108.800 0.170 0.000 2.396 128 G HA2 -0.296 nan 3.960 nan 0.000 0.214 128 G HA3 -0.296 nan 3.960 nan 0.000 0.214 128 G C 0.138 175.079 174.900 0.068 0.000 1.166 128 G CA 1.419 46.581 45.100 0.102 0.000 0.793 128 G HN 0.363 8.753 8.290 0.188 0.013 0.533 129 N N -3.480 115.254 118.700 0.056 0.000 2.297 129 N HA 0.020 nan 4.740 nan 0.000 0.208 129 N C -0.887 174.644 175.510 0.034 0.000 1.176 129 N CA 0.027 53.102 53.050 0.040 0.000 0.882 129 N CB 1.741 40.249 38.487 0.035 0.000 1.134 129 N HN -0.637 7.779 8.380 0.060 0.000 0.489 130 D N 1.795 122.211 120.400 0.027 0.000 2.479 130 D HA 0.309 nan 4.640 nan 0.000 0.247 130 D C -0.683 175.628 176.300 0.017 0.000 1.119 130 D CA -1.866 52.154 54.000 0.033 0.000 0.922 130 D CB 0.900 41.722 40.800 0.037 0.000 1.014 130 D HN -0.378 7.899 8.370 0.022 0.106 0.510 131 R N 6.046 126.567 120.500 0.035 0.000 2.096 131 R HA -0.340 nan 4.340 nan 0.000 0.235 131 R C 0.844 177.150 176.300 0.010 0.000 1.127 131 R CA 2.779 58.889 56.100 0.017 0.000 0.968 131 R CB -0.522 29.799 30.300 0.036 0.000 0.861 131 R HN 0.124 8.422 8.270 0.046 0.000 0.440 132 Y N 0.745 121.021 120.300 -0.039 0.000 2.207 132 Y HA -0.368 nan 4.550 nan 0.000 0.287 132 Y C 1.718 177.581 175.900 -0.060 0.000 1.156 132 Y CA 3.161 61.232 58.100 -0.049 0.000 1.182 132 Y CB -0.067 38.365 38.460 -0.047 0.000 0.979 132 Y HN -0.446 7.995 8.280 0.178 -0.054 0.521 133 R N -2.264 118.181 120.500 -0.092 0.000 2.153 133 R HA -0.274 nan 4.340 nan 0.000 0.218 133 R C 2.472 178.652 176.300 -0.201 0.000 1.072 133 R CA 3.039 59.039 56.100 -0.165 0.000 0.990 133 R CB 0.007 30.294 30.300 -0.021 0.000 0.889 133 R HN -0.616 7.912 8.270 0.071 -0.216 0.452 134 V N 0.626 120.423 119.914 -0.196 0.000 2.515 134 V HA -0.349 nan 4.120 nan 0.000 0.250 134 V C 1.606 177.650 176.094 -0.084 0.000 1.058 134 V CA 4.172 66.334 62.300 -0.230 0.000 1.064 134 V CB -0.712 30.936 31.823 -0.291 0.000 0.675 134 V HN -0.370 7.634 8.190 -0.155 0.093 0.461 135 Q N -4.261 115.465 119.800 -0.123 0.000 2.396 135 Q HA -0.028 nan 4.340 nan 0.000 0.209 135 Q C 1.241 177.169 176.000 -0.119 0.000 0.906 135 Q CA 2.142 57.909 55.803 -0.060 0.000 0.927 135 Q CB 0.543 29.252 28.738 -0.049 0.000 1.069 135 Q HN -0.238 7.902 8.270 -0.180 0.021 0.523 136 N N -3.460 115.032 118.700 -0.346 0.000 2.227 136 N HA 0.185 nan 4.740 nan 0.000 0.196 136 N C -0.294 175.108 175.510 -0.180 0.000 1.142 136 N CA 0.953 53.732 53.050 -0.452 0.000 0.887 136 N CB 2.767 40.640 38.487 -1.023 0.000 1.022 136 N HN -0.523 7.606 8.380 -0.417 0.000 0.500 137 c N -0.565 117.951 118.600 -0.140 0.000 2.325 137 c HA 0.270 nan 4.570 nan 0.000 0.370 137 c C -0.772 173.313 174.090 -0.009 0.000 1.217 137 c CA -0.585 55.713 56.329 -0.050 0.000 2.254 137 c CB 1.867 44.338 42.510 -0.065 0.000 2.282 137 c HN -0.461 7.662 8.230 -0.179 0.000 0.564 138 E N 0.285 120.478 120.200 -0.012 0.000 2.257 138 E HA -0.081 nan 4.350 nan 0.000 0.278 138 E C -0.997 175.551 176.600 -0.086 0.000 1.049 138 E CA -0.383 55.995 56.400 -0.037 0.000 0.876 138 E CB 0.396 30.079 29.700 -0.028 0.000 1.035 138 E HN 0.218 8.573 8.360 -0.007 0.000 0.419 139 L N 6.781 127.906 121.223 -0.163 0.000 2.407 139 L HA -0.002 nan 4.340 nan 0.000 0.282 139 L C -0.304 176.446 176.870 -0.200 0.000 1.110 139 L CA 0.146 54.851 54.840 -0.225 0.000 0.863 139 L CB 0.306 42.098 42.059 -0.445 0.000 1.207 139 L HN 0.428 8.554 8.230 -0.174 0.000 0.454 140 V N 2.514 122.354 119.914 -0.124 0.000 5.325 140 V HA -0.365 nan 4.120 nan 0.000 0.291 140 V C 0.175 176.197 176.094 -0.119 0.000 0.541 140 V CA 0.352 62.580 62.300 -0.120 0.000 0.687 140 V CB -3.221 28.511 31.823 -0.151 0.000 0.491 140 V HN 0.605 8.746 8.190 -0.082 0.000 1.145 141 G N -2.730 106.016 108.800 -0.090 0.000 2.179 141 G HA2 -0.437 nan 3.960 nan 0.000 0.260 141 G HA3 -0.437 nan 3.960 nan 0.000 0.260 141 G C -0.498 174.366 174.900 -0.059 0.000 0.977 141 G CA 0.253 45.316 45.100 -0.063 0.000 0.641 141 G HN -0.052 8.171 8.290 -0.082 0.017 0.533 142 L N 1.950 123.110 121.223 -0.106 0.000 2.360 142 L HA -0.082 nan 4.340 nan 0.000 0.276 142 L C -0.375 176.480 176.870 -0.025 0.000 1.121 142 L CA -0.638 54.146 54.840 -0.094 0.000 0.845 142 L CB -0.291 41.578 42.059 -0.316 0.000 1.143 142 L HN -0.617 7.347 8.230 -0.152 0.175 0.452 143 A N 6.359 129.184 122.820 0.009 0.000 2.526 143 A HA -0.216 nan 4.320 nan 0.000 0.267 143 A C -0.792 176.902 177.584 0.183 0.000 1.095 143 A CA 0.693 52.712 52.037 -0.030 0.000 0.775 143 A CB 0.442 19.229 19.000 -0.355 0.000 1.036 143 A HN 0.080 8.248 8.150 0.029 0.000 0.510 144 D N 4.940 125.454 120.400 0.190 0.000 2.338 144 D HA 0.118 nan 4.640 nan 0.000 0.255 144 D C -0.691 175.672 176.300 0.105 0.000 1.237 144 D CA -0.199 53.905 54.000 0.173 0.000 0.883 144 D CB 0.610 41.511 40.800 0.167 0.000 1.087 144 D HN -0.010 8.438 8.370 0.131 0.000 0.485 145 L N 4.638 125.809 121.223 -0.086 0.000 2.483 145 L HA -0.114 nan 4.340 nan 0.000 0.276 145 L C 0.225 176.680 176.870 -0.691 0.000 1.213 145 L CA 0.725 55.264 54.840 -0.501 0.000 0.843 145 L CB 0.576 42.308 42.059 -0.545 0.000 1.107 145 L HN -0.114 8.105 8.230 -0.018 0.000 0.487 146 D N 2.579 122.531 120.400 -0.748 0.000 2.558 146 D HA 0.125 nan 4.640 nan 0.000 0.221 146 D C 0.919 177.027 176.300 -0.320 0.000 1.143 146 D CA -1.154 52.438 54.000 -0.681 0.000 1.010 146 D CB -0.680 39.922 40.800 -0.330 0.000 1.068 146 D HN 0.296 8.213 8.370 -0.756 0.000 0.511 147 T N -1.630 112.779 114.554 -0.242 0.000 3.139 147 T HA -0.152 nan 4.350 nan 0.000 0.267 147 T C 0.352 175.025 174.700 -0.045 0.000 1.164 147 T CA 1.665 63.690 62.100 -0.125 0.000 1.075 147 T CB -0.811 68.010 68.868 -0.079 0.000 0.904 147 T HN -0.229 7.803 8.240 -0.290 0.034 0.540 148 A N -0.317 122.506 122.820 0.006 0.000 2.195 148 A HA 0.196 nan 4.320 nan 0.000 0.210 148 A C -0.093 177.502 177.584 0.018 0.000 1.165 148 A CA 0.002 52.059 52.037 0.032 0.000 0.806 148 A CB 0.180 19.227 19.000 0.078 0.000 0.847 148 A HN -0.633 7.633 8.150 0.026 -0.099 0.482 149 S N -0.306 115.392 115.700 -0.003 0.000 2.531 149 S HA -0.044 nan 4.470 nan 0.000 0.279 149 S C 1.040 175.655 174.600 0.024 0.000 1.305 149 S CA 0.365 58.577 58.200 0.020 0.000 1.058 149 S CB 1.515 64.725 63.200 0.017 0.000 0.899 149 S HN -0.369 7.752 8.310 -0.036 0.167 0.493 150 N N 9.552 128.282 118.700 0.051 0.000 2.223 150 N HA -0.270 nan 4.740 nan 0.000 0.185 150 N C 1.491 177.038 175.510 0.062 0.000 1.016 150 N CA 3.229 56.306 53.050 0.045 0.000 0.863 150 N CB -0.028 38.491 38.487 0.053 0.000 0.983 150 N HN 0.591 9.007 8.380 0.059 0.000 0.429 151 Y N -0.988 119.312 120.300 -0.001 0.000 2.184 151 Y HA -0.264 nan 4.550 nan 0.000 0.290 151 Y C 1.477 177.401 175.900 0.040 0.000 1.129 151 Y CA 3.726 61.835 58.100 0.015 0.000 1.144 151 Y CB 0.276 38.748 38.460 0.021 0.000 0.995 151 Y HN -0.543 7.838 8.280 0.209 0.025 0.513 152 V N -0.887 118.986 119.914 -0.069 0.000 2.343 152 V HA -0.533 nan 4.120 nan 0.000 0.247 152 V C 2.029 178.041 176.094 -0.137 0.000 1.051 152 V CA 3.795 66.032 62.300 -0.106 0.000 1.036 152 V CB -0.771 30.954 31.823 -0.163 0.000 0.654 152 V HN -0.729 7.507 8.190 0.077 0.000 0.451 153 Q N -1.683 118.046 119.800 -0.119 0.000 2.119 153 Q HA -0.366 nan 4.340 nan 0.000 0.201 153 Q C 2.762 178.683 176.000 -0.132 0.000 0.972 153 Q CA 3.408 59.140 55.803 -0.118 0.000 0.847 153 Q CB -0.318 28.374 28.738 -0.078 0.000 0.903 153 Q HN 0.200 8.407 8.270 -0.084 0.012 0.433 154 N N -0.047 118.568 118.700 -0.141 0.000 2.270 154 N HA -0.130 nan 4.740 nan 0.000 0.181 154 N C 2.382 177.785 175.510 -0.179 0.000 1.016 154 N CA 3.120 56.090 53.050 -0.135 0.000 0.870 154 N CB -0.060 38.370 38.487 -0.096 0.000 0.979 154 N HN -0.170 8.039 8.380 -0.140 0.087 0.431 155 T N 3.834 118.224 114.554 -0.273 0.000 2.777 155 T HA -0.191 nan 4.350 nan 0.000 0.266 155 T C 2.007 176.620 174.700 -0.145 0.000 1.040 155 T CA 4.694 66.652 62.100 -0.236 0.000 1.141 155 T CB -0.292 68.352 68.868 -0.373 0.000 0.868 155 T HN -0.238 7.797 8.240 -0.341 0.000 0.444 156 I N 0.790 121.261 120.570 -0.165 0.000 2.353 156 I HA -0.388 nan 4.170 nan 0.000 0.248 156 I C 1.102 177.068 176.117 -0.252 0.000 1.119 156 I CA 3.717 64.850 61.300 -0.279 0.000 1.417 156 I CB -0.357 37.485 38.000 -0.263 0.000 1.078 156 I HN -0.079 8.043 8.210 -0.147 0.000 0.421 157 A N -0.810 121.890 122.820 -0.200 0.000 1.972 157 A HA -0.293 nan 4.320 nan 0.000 0.219 157 A C 1.733 179.223 177.584 -0.157 0.000 1.169 157 A CA 3.110 55.038 52.037 -0.182 0.000 0.635 157 A CB -1.090 17.830 19.000 -0.133 0.000 0.810 157 A HN 0.114 8.050 8.150 -0.179 0.107 0.446 158 A N -1.320 121.428 122.820 -0.120 0.000 1.930 158 A HA -0.234 nan 4.320 nan 0.000 0.217 158 A C 1.453 179.005 177.584 -0.054 0.000 1.175 158 A CA 2.740 54.733 52.037 -0.074 0.000 0.627 158 A CB -0.806 18.165 19.000 -0.049 0.000 0.815 158 A HN -0.205 7.853 8.150 -0.128 0.015 0.443 159 Y N -0.186 119.968 120.300 -0.244 0.000 2.163 159 Y HA -0.367 nan 4.550 nan 0.000 0.288 159 Y C 1.678 177.450 175.900 -0.214 0.000 1.136 159 Y CA 2.395 60.332 58.100 -0.271 0.000 1.147 159 Y CB -0.072 38.037 38.460 -0.585 0.000 0.987 159 Y HN -0.776 7.458 8.280 -0.077 0.000 0.509 160 I N -1.439 118.871 120.570 -0.434 0.000 2.226 160 I HA -0.693 nan 4.170 nan 0.000 0.245 160 I C 1.995 177.919 176.117 -0.322 0.000 1.100 160 I CA 4.154 65.085 61.300 -0.615 0.000 1.374 160 I CB -0.420 37.148 38.000 -0.721 0.000 1.057 160 I HN -0.182 7.846 8.210 -0.303 0.000 0.413 161 N N -1.067 117.513 118.700 -0.200 0.000 2.270 161 N HA -0.253 nan 4.740 nan 0.000 0.181 161 N C 2.166 177.651 175.510 -0.041 0.000 1.016 161 N CA 2.849 55.846 53.050 -0.088 0.000 0.870 161 N CB -0.635 37.809 38.487 -0.072 0.000 0.979 161 N HN -0.118 8.139 8.380 -0.205 0.000 0.431 162 D N 1.525 121.891 120.400 -0.056 0.000 2.144 162 D HA -0.165 nan 4.640 nan 0.000 0.200 162 D C 2.021 178.318 176.300 -0.005 0.000 0.978 162 D CA 2.903 56.893 54.000 -0.016 0.000 0.833 162 D CB 0.207 41.011 40.800 0.006 0.000 0.961 162 D HN -0.340 7.881 8.370 -0.091 0.094 0.470 163 L N -1.078 120.120 121.223 -0.043 0.000 2.046 163 L HA -0.417 nan 4.340 nan 0.000 0.208 163 L C 2.344 179.281 176.870 0.113 0.000 1.077 163 L CA 3.004 57.866 54.840 0.036 0.000 0.747 163 L CB -0.259 41.811 42.059 0.019 0.000 0.896 163 L HN -0.409 7.734 8.230 -0.133 0.007 0.432 164 Q N -2.211 117.678 119.800 0.150 0.000 2.167 164 Q HA -0.347 nan 4.340 nan 0.000 0.202 164 Q C 1.406 177.440 176.000 0.057 0.000 0.970 164 Q CA 2.614 58.491 55.803 0.123 0.000 0.855 164 Q CB -0.103 28.717 28.738 0.135 0.000 0.911 164 Q HN -0.452 7.903 8.270 0.142 0.000 0.438 165 A N -1.904 120.942 122.820 0.043 0.000 1.969 165 A HA -0.111 nan 4.320 nan 0.000 0.218 165 A C 1.405 179.007 177.584 0.030 0.000 1.169 165 A CA 2.063 54.117 52.037 0.029 0.000 0.635 165 A CB -0.030 18.984 19.000 0.023 0.000 0.810 165 A HN -0.557 7.508 8.150 0.042 0.111 0.445 166 I N -3.856 116.741 120.570 0.046 0.000 2.493 166 I HA -0.268 nan 4.170 nan 0.000 0.254 166 I C 1.003 177.129 176.117 0.016 0.000 1.160 166 I CA 2.021 63.352 61.300 0.052 0.000 1.445 166 I CB 0.477 38.548 38.000 0.118 0.000 1.086 166 I HN -0.402 7.726 8.210 0.055 0.115 0.433 167 G N -3.072 105.733 108.800 0.008 0.000 2.273 167 G HA2 -0.255 nan 3.960 nan 0.000 0.162 167 G HA3 -0.255 nan 3.960 nan 0.000 0.162 167 G C -0.580 174.288 174.900 -0.054 0.000 1.006 167 G CA -0.573 44.511 45.100 -0.026 0.000 0.704 167 G HN -0.734 7.432 8.290 0.028 0.141 0.487 168 V N 0.034 119.919 119.914 -0.049 0.000 2.673 168 V HA -0.209 nan 4.120 nan 0.000 0.303 168 V C 0.363 176.365 176.094 -0.153 0.000 1.046 168 V CA 1.537 63.756 62.300 -0.135 0.000 1.126 168 V CB -0.069 31.657 31.823 -0.163 0.000 0.934 168 V HN -0.390 7.801 8.190 0.002 0.000 0.487 169 K N 4.870 125.174 120.400 -0.161 0.000 2.355 169 K HA 0.265 nan 4.320 nan 0.000 0.198 169 K C -0.773 175.742 176.600 -0.142 0.000 1.039 169 K CA -0.225 56.009 56.287 -0.088 0.000 1.075 169 K CB 1.668 34.165 32.500 -0.005 0.000 0.870 169 K HN 0.139 8.301 8.250 -0.148 0.000 0.540 170 G N -3.289 105.300 108.800 -0.352 0.000 2.684 170 G HA2 0.667 nan 3.960 nan 0.000 0.290 170 G HA3 0.667 nan 3.960 nan 0.000 0.290 170 G C -2.888 171.473 174.900 -0.899 0.000 1.425 170 G CA -0.129 44.642 45.100 -0.548 0.000 0.822 170 G HN -0.739 7.301 8.290 -0.417 0.000 0.482 171 F N -3.116 116.635 119.950 -0.332 0.000 2.581 171 F HA 0.551 nan 4.527 nan 0.000 0.311 171 F C -2.219 173.254 175.800 -0.546 0.000 1.113 171 F CA -0.951 56.887 58.000 -0.271 0.000 0.935 171 F CB 5.292 44.202 39.000 -0.150 0.000 1.232 171 F HN 0.529 8.516 8.300 -0.359 0.098 0.445 172 R N 1.719 122.021 120.500 -0.330 0.000 2.229 172 R HA 0.550 nan 4.340 nan 0.000 0.332 172 R C -1.134 175.129 176.300 -0.063 0.000 0.989 172 R CA -1.553 54.090 56.100 -0.762 0.000 0.842 172 R CB 1.886 31.733 30.300 -0.755 0.000 1.119 172 R HN 0.638 8.757 8.270 -0.073 0.107 0.456 173 F N 8.074 127.886 119.950 -0.231 0.000 2.423 173 F HA 0.237 nan 4.527 nan 0.000 0.356 173 F C -0.556 175.233 175.800 -0.019 0.000 1.170 173 F CA -3.662 54.293 58.000 -0.075 0.000 1.163 173 F CB -1.373 37.599 39.000 -0.046 0.000 1.318 173 F HN 0.837 8.985 8.300 -0.253 0.000 0.569 174 D N 5.092 125.625 120.400 0.222 0.000 2.472 174 D HA -0.173 nan 4.640 nan 0.000 0.237 174 D C 0.202 176.622 176.300 0.201 0.000 1.141 174 D CA 1.297 55.434 54.000 0.229 0.000 0.875 174 D CB 1.440 42.429 40.800 0.314 0.000 1.192 174 D HN -0.067 8.437 8.370 0.223 0.000 0.450 175 A N 4.900 127.852 122.820 0.220 0.000 2.704 175 A HA -0.380 nan 4.320 nan 0.000 0.299 175 A C 1.166 178.885 177.584 0.225 0.000 1.507 175 A CA 1.116 53.306 52.037 0.256 0.000 0.776 175 A CB -1.534 17.625 19.000 0.266 0.000 1.027 175 A HN 0.487 9.070 8.150 0.222 -0.300 0.475 176 S N -0.279 115.483 115.700 0.102 0.000 2.419 176 S HA -0.330 nan 4.470 nan 0.000 0.233 176 S C 1.971 176.507 174.600 -0.106 0.000 1.016 176 S CA 3.555 61.746 58.200 -0.014 0.000 0.974 176 S CB -0.189 62.907 63.200 -0.174 0.000 0.786 176 S HN -0.117 8.252 8.310 0.098 0.000 0.492 177 K N 1.556 121.872 120.400 -0.140 0.000 2.152 177 K HA -0.278 nan 4.320 nan 0.000 0.206 177 K C 0.836 177.408 176.600 -0.046 0.000 1.048 177 K CA 2.297 58.510 56.287 -0.124 0.000 0.933 177 K CB -0.146 32.243 32.500 -0.185 0.000 0.721 177 K HN -0.835 7.343 8.250 -0.078 0.025 0.447 178 H N -3.568 115.552 119.070 0.083 0.000 2.547 178 H HA 0.015 nan 4.556 nan 0.000 0.274 178 H C -0.525 174.857 175.328 0.090 0.000 1.024 178 H CA 0.308 56.400 56.048 0.074 0.000 1.155 178 H CB -0.081 29.721 29.762 0.067 0.000 1.344 178 H HN -0.632 7.684 8.280 0.266 0.124 0.598 179 V N 0.258 120.304 119.914 0.220 0.000 2.531 179 V HA 0.145 nan 4.120 nan 0.000 0.301 179 V C -1.699 174.530 176.094 0.225 0.000 1.034 179 V CA -1.487 60.924 62.300 0.185 0.000 0.865 179 V CB 2.703 34.611 31.823 0.142 0.000 0.995 179 V HN -0.399 7.725 8.190 0.227 0.201 0.424 180 A N 5.795 128.699 122.820 0.140 0.000 2.546 180 A HA -0.008 nan 4.320 nan 0.000 0.243 180 A C 0.751 178.381 177.584 0.077 0.000 1.063 180 A CA 0.615 52.706 52.037 0.090 0.000 0.757 180 A CB 0.717 19.745 19.000 0.047 0.000 0.991 180 A HN 0.625 8.844 8.150 0.116 0.000 0.503 181 A N 2.895 125.678 122.820 -0.062 0.000 1.978 181 A HA -0.357 nan 4.320 nan 0.000 0.220 181 A C 1.628 179.189 177.584 -0.039 0.000 1.170 181 A CA 2.901 54.849 52.037 -0.149 0.000 0.636 181 A CB -0.675 18.003 19.000 -0.535 0.000 0.810 181 A HN 0.735 8.796 8.150 -0.148 0.000 0.448 182 S N -3.109 112.571 115.700 -0.033 0.000 2.383 182 S HA -0.375 nan 4.470 nan 0.000 0.227 182 S C 1.624 176.232 174.600 0.013 0.000 1.026 182 S CA 2.804 60.998 58.200 -0.010 0.000 0.981 182 S CB -0.446 62.749 63.200 -0.008 0.000 0.818 182 S HN -0.043 8.215 8.310 -0.045 0.025 0.472 183 D N 3.318 123.734 120.400 0.026 0.000 2.117 183 D HA -0.161 nan 4.640 nan 0.000 0.198 183 D C 2.040 178.353 176.300 0.022 0.000 0.982 183 D CA 2.822 56.836 54.000 0.023 0.000 0.828 183 D CB -0.358 40.461 40.800 0.032 0.000 0.967 183 D HN -0.614 7.661 8.370 0.031 0.113 0.464 184 I N -0.155 120.452 120.570 0.061 0.000 2.361 184 I HA -0.510 nan 4.170 nan 0.000 0.251 184 I C 1.783 177.956 176.117 0.093 0.000 1.133 184 I CA 3.749 65.108 61.300 0.098 0.000 1.413 184 I CB -0.188 37.951 38.000 0.231 0.000 1.073 184 I HN -0.448 7.741 8.210 0.083 0.070 0.424 185 Q N -0.336 119.501 119.800 0.061 0.000 2.123 185 Q HA -0.308 nan 4.340 nan 0.000 0.199 185 Q C 2.635 178.649 176.000 0.024 0.000 0.966 185 Q CA 3.421 59.249 55.803 0.042 0.000 0.845 185 Q CB -0.090 28.659 28.738 0.019 0.000 0.907 185 Q HN -0.086 8.084 8.270 0.048 0.130 0.439 186 S N 0.443 116.151 115.700 0.013 0.000 2.357 186 S HA -0.251 nan 4.470 nan 0.000 0.221 186 S C 2.143 176.737 174.600 -0.010 0.000 1.031 186 S CA 3.317 61.517 58.200 0.000 0.000 0.982 186 S CB -0.094 63.105 63.200 -0.003 0.000 0.853 186 S HN -0.553 7.675 8.310 0.014 0.091 0.458 187 L N 2.075 123.286 121.223 -0.020 0.000 2.013 187 L HA -0.312 nan 4.340 nan 0.000 0.212 187 L C 2.208 179.064 176.870 -0.022 0.000 1.073 187 L CA 3.275 58.085 54.840 -0.050 0.000 0.753 187 L CB 0.011 42.010 42.059 -0.100 0.000 0.890 187 L HN -0.080 8.141 8.230 -0.015 0.000 0.432 188 M N -3.401 116.216 119.600 0.029 0.000 2.267 188 M HA -0.296 nan 4.480 nan 0.000 0.263 188 M C 2.347 178.652 176.300 0.008 0.000 1.063 188 M CA 1.530 56.855 55.300 0.042 0.000 1.090 188 M CB -1.967 30.678 32.600 0.075 0.000 1.392 188 M HN -0.072 8.246 8.290 0.048 0.000 0.422 189 A N -1.117 121.703 122.820 0.001 0.000 2.015 189 A HA -0.162 nan 4.320 nan 0.000 0.219 189 A C 0.962 178.537 177.584 -0.016 0.000 1.163 189 A CA 2.434 54.467 52.037 -0.006 0.000 0.646 189 A CB -0.679 18.318 19.000 -0.004 0.000 0.806 189 A HN -0.310 7.691 8.150 0.003 0.151 0.448 190 K N -4.596 115.788 120.400 -0.026 0.000 2.426 190 K HA 0.024 nan 4.320 nan 0.000 0.193 190 K C -1.044 175.526 176.600 -0.050 0.000 1.028 190 K CA -0.069 56.195 56.287 -0.038 0.000 1.047 190 K CB 0.666 33.136 32.500 -0.050 0.000 0.821 190 K HN -0.352 7.726 8.250 -0.026 0.156 0.513 191 V N 0.376 120.261 119.914 -0.048 0.000 2.498 191 V HA -0.096 nan 4.120 nan 0.000 0.279 191 V C -0.079 175.992 176.094 -0.037 0.000 1.048 191 V CA -0.317 61.946 62.300 -0.062 0.000 0.967 191 V CB 0.097 31.880 31.823 -0.067 0.000 0.988 191 V HN -0.707 7.275 8.190 -0.035 0.187 0.473 192 N N 6.196 124.876 118.700 -0.034 0.000 2.508 192 N HA -0.010 nan 4.740 nan 0.000 0.264 192 N C 0.279 175.787 175.510 -0.005 0.000 1.216 192 N CA 0.327 53.367 53.050 -0.016 0.000 0.943 192 N CB 0.514 38.993 38.487 -0.012 0.000 1.113 192 N HN 0.133 8.796 8.380 -0.047 -0.311 0.447 193 G N 1.794 110.592 108.800 -0.003 0.000 2.601 193 G HA2 -0.355 nan 3.960 nan 0.000 0.261 193 G HA3 -0.355 nan 3.960 nan 0.000 0.261 193 G C -1.457 173.443 174.900 -0.001 0.000 1.289 193 G CA 0.533 45.633 45.100 0.000 0.000 0.920 193 G HN 0.326 8.613 8.290 -0.006 0.000 0.571 194 S N -0.141 115.559 115.700 -0.000 0.000 2.279 194 S HA 0.274 nan 4.470 nan 0.000 0.176 194 S C -2.128 172.469 174.600 -0.005 0.000 1.554 194 S CA -1.718 56.477 58.200 -0.008 0.000 1.242 194 S CB 0.881 64.069 63.200 -0.021 0.000 1.163 194 S HN 0.228 8.539 8.310 0.001 0.000 0.449 195 P HA 0.290 nan 4.420 nan 0.000 0.276 195 P C -1.466 175.812 177.300 -0.037 0.000 1.252 195 P CA -0.415 62.707 63.100 0.037 0.000 0.802 195 P CB 1.253 33.079 31.700 0.209 0.000 1.035 196 V N 0.581 120.424 119.914 -0.119 0.000 2.585 196 V HA -0.039 nan 4.120 nan 0.000 0.296 196 V C -0.538 175.412 176.094 -0.241 0.000 1.035 196 V CA 1.113 63.280 62.300 -0.222 0.000 1.084 196 V CB 0.084 31.664 31.823 -0.404 0.000 0.953 196 V HN 0.012 8.133 8.190 -0.116 0.000 0.483 197 V N 5.502 125.290 119.914 -0.210 0.000 2.569 197 V HA 0.659 nan 4.120 nan 0.000 0.301 197 V C -1.514 174.479 176.094 -0.168 0.000 1.044 197 V CA -1.336 60.770 62.300 -0.323 0.000 0.874 197 V CB 2.100 33.630 31.823 -0.489 0.000 1.002 197 V HN 0.008 8.100 8.190 -0.164 0.000 0.424 198 F N 4.544 124.294 119.950 -0.333 0.000 2.507 198 F HA 0.851 nan 4.527 nan 0.000 0.325 198 F C -2.373 173.365 175.800 -0.104 0.000 1.116 198 F CA -3.193 54.710 58.000 -0.162 0.000 0.930 198 F CB 2.631 41.587 39.000 -0.074 0.000 1.146 198 F HN 0.785 8.848 8.300 -0.395 0.000 0.447 199 Q N 2.515 122.365 119.800 0.084 0.000 2.307 199 Q HA 0.283 nan 4.340 nan 0.000 0.262 199 Q C -1.348 174.736 176.000 0.140 0.000 0.961 199 Q CA -1.661 54.186 55.803 0.073 0.000 0.882 199 Q CB 1.970 30.756 28.738 0.081 0.000 1.264 199 Q HN 0.782 9.035 8.270 0.160 0.114 0.446 200 E N 5.507 125.797 120.200 0.151 0.000 2.029 200 E HA 0.102 nan 4.350 nan 0.000 0.276 200 E C -1.730 174.949 176.600 0.130 0.000 1.163 200 E CA 0.122 56.671 56.400 0.249 0.000 0.909 200 E CB 0.657 30.518 29.700 0.269 0.000 1.046 200 E HN -0.140 8.296 8.360 0.126 0.000 0.406 201 V N 7.321 127.318 119.914 0.139 0.000 2.407 201 V HA 0.277 nan 4.120 nan 0.000 0.291 201 V C -0.864 175.279 176.094 0.081 0.000 1.018 201 V CA -1.428 60.868 62.300 -0.008 0.000 0.842 201 V CB 1.644 33.393 31.823 -0.124 0.000 0.996 201 V HN -0.342 8.013 8.190 0.275 0.000 0.426 202 I N 7.824 128.322 120.570 -0.119 0.000 2.281 202 I HA 0.031 nan 4.170 nan 0.000 0.293 202 I C -1.428 174.628 176.117 -0.103 0.000 1.085 202 I CA -0.191 60.913 61.300 -0.327 0.000 1.257 202 I CB 0.435 38.073 38.000 -0.604 0.000 1.430 202 I HN 0.277 8.418 8.210 -0.116 0.000 0.489 203 D N 7.992 128.404 120.400 0.019 0.000 2.389 203 D HA 0.145 nan 4.640 nan 0.000 0.256 203 D C -0.586 175.758 176.300 0.072 0.000 1.239 203 D CA -1.505 52.527 54.000 0.054 0.000 0.925 203 D CB 0.982 41.842 40.800 0.099 0.000 1.145 203 D HN 0.102 8.531 8.370 0.099 0.000 0.542 204 Q N 1.539 121.366 119.800 0.046 0.000 2.360 204 Q HA 0.059 nan 4.340 nan 0.000 0.202 204 Q C 0.758 176.803 176.000 0.075 0.000 0.915 204 Q CA -0.279 55.564 55.803 0.067 0.000 0.943 204 Q CB 0.676 29.439 28.738 0.043 0.000 1.064 204 Q HN 0.325 8.603 8.270 0.013 0.000 0.511 205 G N -1.039 107.802 108.800 0.068 0.000 2.576 205 G HA2 -0.171 nan 3.960 nan 0.000 0.686 205 G HA3 -0.171 nan 3.960 nan 0.000 0.686 205 G C -0.594 174.338 174.900 0.053 0.000 1.242 205 G CA -0.676 44.464 45.100 0.068 0.000 0.819 205 G HN -0.390 8.059 8.290 0.063 -0.122 0.655 206 G N -0.038 108.794 108.800 0.053 0.000 2.189 206 G HA2 -0.402 nan 3.960 nan 0.000 0.267 206 G HA3 -0.402 nan 3.960 nan 0.000 0.267 206 G C -0.340 174.594 174.900 0.057 0.000 0.975 206 G CA -0.174 44.955 45.100 0.048 0.000 0.644 206 G HN 0.183 8.506 8.290 0.055 0.000 0.537 207 E N 0.310 120.549 120.200 0.065 0.000 2.343 207 E HA 0.026 nan 4.350 nan 0.000 0.269 207 E C -0.066 176.581 176.600 0.078 0.000 1.047 207 E CA -0.570 55.881 56.400 0.084 0.000 0.874 207 E CB 0.933 30.684 29.700 0.086 0.000 1.033 207 E HN -0.464 7.856 8.360 0.063 0.079 0.409 208 A N 3.041 125.908 122.820 0.079 0.000 2.119 208 A HA -0.067 nan 4.320 nan 0.000 0.217 208 A C -1.270 176.350 177.584 0.060 0.000 1.153 208 A CA 2.155 54.228 52.037 0.059 0.000 0.692 208 A CB 0.797 19.825 19.000 0.046 0.000 0.799 208 A HN 0.839 9.047 8.150 0.097 0.000 0.458 209 V N -4.019 115.941 119.914 0.076 0.000 2.444 209 V HA 0.317 nan 4.120 nan 0.000 0.294 209 V C -0.366 175.810 176.094 0.136 0.000 1.022 209 V CA -0.953 61.409 62.300 0.102 0.000 0.850 209 V CB 0.522 32.413 31.823 0.113 0.000 0.992 209 V HN -0.457 7.740 8.190 0.082 0.043 0.426 210 G N 4.044 112.930 108.800 0.145 0.000 2.410 210 G HA2 0.463 nan 3.960 nan 0.000 0.330 210 G HA3 0.463 nan 3.960 nan 0.000 0.330 210 G C -0.650 174.401 174.900 0.251 0.000 1.142 210 G CA -1.373 43.823 45.100 0.159 0.000 0.902 210 G HN 0.081 8.713 8.290 0.115 -0.273 0.491 211 A N 2.958 125.922 122.820 0.240 0.000 2.070 211 A HA -0.234 nan 4.320 nan 0.000 0.220 211 A C 1.843 179.609 177.584 0.302 0.000 1.159 211 A CA 2.805 55.025 52.037 0.304 0.000 0.656 211 A CB -0.066 19.057 19.000 0.204 0.000 0.800 211 A HN 0.057 8.616 8.150 0.182 -0.300 0.453 212 S N -1.713 114.103 115.700 0.193 0.000 2.447 212 S HA -0.317 nan 4.470 nan 0.000 0.233 212 S C 2.103 176.753 174.600 0.083 0.000 1.006 212 S CA 2.857 61.135 58.200 0.131 0.000 0.957 212 S CB -0.673 62.583 63.200 0.092 0.000 0.773 212 S HN 0.165 8.529 8.310 0.170 0.047 0.507 213 E N 1.786 122.011 120.200 0.041 0.000 2.338 213 E HA -0.226 nan 4.350 nan 0.000 0.197 213 E C 1.233 177.637 176.600 -0.326 0.000 1.007 213 E CA 2.171 58.463 56.400 -0.181 0.000 0.849 213 E CB -0.136 29.357 29.700 -0.344 0.000 0.774 213 E HN -0.438 7.948 8.360 0.117 0.044 0.506 214 Y N -4.336 116.004 120.300 0.066 0.000 2.458 214 Y HA 0.042 nan 4.550 nan 0.000 0.256 214 Y C 1.125 177.061 175.900 0.060 0.000 1.159 214 Y CA -0.138 58.006 58.100 0.073 0.000 1.261 214 Y CB 0.179 38.697 38.460 0.097 0.000 1.119 214 Y HN -0.617 7.655 8.280 0.268 0.169 0.524 215 L N -0.578 120.731 121.223 0.144 0.000 2.141 215 L HA -0.345 nan 4.340 nan 0.000 0.209 215 L C 1.757 178.663 176.870 0.060 0.000 1.094 215 L CA 2.844 57.743 54.840 0.098 0.000 0.763 215 L CB -0.711 41.392 42.059 0.073 0.000 0.908 215 L HN -0.829 7.307 8.230 0.111 0.161 0.437 216 S N -2.831 112.894 115.700 0.042 0.000 2.527 216 S HA -0.088 nan 4.470 nan 0.000 0.222 216 S C 0.767 175.385 174.600 0.030 0.000 0.985 216 S CA 2.178 60.392 58.200 0.023 0.000 0.921 216 S CB -0.137 63.066 63.200 0.006 0.000 0.772 216 S HN 0.132 8.440 8.310 0.034 0.023 0.529 217 T N -4.451 110.139 114.554 0.060 0.000 3.069 217 T HA 0.327 nan 4.350 nan 0.000 0.252 217 T C -0.106 174.618 174.700 0.039 0.000 1.053 217 T CA -0.477 61.664 62.100 0.069 0.000 0.964 217 T CB 0.428 69.373 68.868 0.128 0.000 1.005 217 T HN -0.485 7.765 8.240 0.084 0.041 0.532 218 G N 0.715 109.536 108.800 0.034 0.000 2.350 218 G HA2 -0.124 nan 3.960 nan 0.000 0.282 218 G HA3 -0.124 nan 3.960 nan 0.000 0.282 218 G C -2.273 172.647 174.900 0.032 0.000 1.314 218 G CA -0.146 44.951 45.100 -0.005 0.000 0.915 218 G HN -0.859 7.405 8.290 0.051 0.057 0.499 219 L N -0.220 121.021 121.223 0.031 0.000 2.472 219 L HA 0.501 nan 4.340 nan 0.000 0.260 219 L C -0.687 176.264 176.870 0.134 0.000 1.209 219 L CA 0.854 55.737 54.840 0.071 0.000 0.817 219 L CB 0.797 42.905 42.059 0.082 0.000 1.106 219 L HN 0.328 8.559 8.230 0.002 0.000 0.479 220 V N -1.510 118.487 119.914 0.139 0.000 2.876 220 V HA 0.572 nan 4.120 nan 0.000 0.312 220 V C -0.805 175.395 176.094 0.177 0.000 1.085 220 V CA -1.650 60.753 62.300 0.172 0.000 0.945 220 V CB 3.752 35.676 31.823 0.167 0.000 1.017 220 V HN 0.668 8.918 8.190 0.099 0.000 0.428 221 T N 1.053 115.755 114.554 0.247 0.000 2.794 221 T HA 0.279 nan 4.350 nan 0.000 0.296 221 T C -0.205 174.577 174.700 0.137 0.000 0.949 221 T CA -1.578 60.658 62.100 0.226 0.000 1.101 221 T CB 0.223 69.317 68.868 0.376 0.000 0.905 221 T HN 0.313 8.718 8.240 0.275 0.000 0.516 222 E N 7.014 127.166 120.200 -0.079 0.000 1.998 222 E HA 0.180 nan 4.350 nan 0.000 0.257 222 E C -0.008 176.413 176.600 -0.298 0.000 1.038 222 E CA -2.721 53.598 56.400 -0.135 0.000 0.869 222 E CB -0.600 29.002 29.700 -0.164 0.000 1.135 222 E HN 0.063 8.328 8.360 -0.159 0.000 0.430 223 F N 5.836 125.711 119.950 -0.124 0.000 2.546 223 F HA -0.273 nan 4.527 nan 0.000 0.298 223 F C 0.977 176.682 175.800 -0.158 0.000 1.120 223 F CA 2.811 60.753 58.000 -0.096 0.000 1.456 223 F CB 0.047 39.084 39.000 0.062 0.000 1.088 223 F HN -0.088 8.430 8.300 0.363 0.000 0.572 224 K N -0.105 120.206 120.400 -0.147 0.000 2.217 224 K HA -0.339 nan 4.320 nan 0.000 0.202 224 K C 1.716 178.044 176.600 -0.453 0.000 1.051 224 K CA 2.959 59.092 56.287 -0.258 0.000 0.952 224 K CB -0.291 31.974 32.500 -0.392 0.000 0.736 224 K HN -0.188 8.156 8.250 -0.192 -0.209 0.453 225 Y N 0.899 120.690 120.300 -0.847 0.000 2.089 225 Y HA -0.449 nan 4.550 nan 0.000 0.282 225 Y C 1.571 177.393 175.900 -0.131 0.000 1.139 225 Y CA 3.787 61.555 58.100 -0.553 0.000 1.123 225 Y CB -0.092 38.083 38.460 -0.475 0.000 0.980 225 Y HN -0.609 7.173 8.280 -0.623 0.124 0.493 226 S N -2.615 113.074 115.700 -0.018 0.000 2.359 226 S HA -0.444 nan 4.470 nan 0.000 0.224 226 S C 2.444 177.104 174.600 0.100 0.000 1.035 226 S CA 3.962 62.177 58.200 0.025 0.000 1.018 226 S CB -0.204 62.945 63.200 -0.084 0.000 0.876 226 S HN -0.161 8.004 8.310 -0.242 0.000 0.448 227 T N 4.748 119.369 114.554 0.112 0.000 2.746 227 T HA -0.264 nan 4.350 nan 0.000 0.267 227 T C 2.411 177.217 174.700 0.176 0.000 1.039 227 T CA 4.844 67.034 62.100 0.150 0.000 1.142 227 T CB -0.456 68.506 68.868 0.155 0.000 0.866 227 T HN -0.362 7.926 8.240 0.081 0.000 0.444 228 E N 1.030 121.362 120.200 0.221 0.000 2.158 228 E HA -0.102 nan 4.350 nan 0.000 0.191 228 E C 2.267 178.980 176.600 0.190 0.000 0.982 228 E CA 2.145 58.742 56.400 0.328 0.000 0.823 228 E CB -0.610 29.437 29.700 0.578 0.000 0.766 228 E HN -0.055 8.304 8.360 0.177 0.107 0.468 229 L N -0.320 120.964 121.223 0.100 0.000 2.046 229 L HA -0.256 nan 4.340 nan 0.000 0.208 229 L C 1.866 178.768 176.870 0.055 0.000 1.077 229 L CA 3.105 57.891 54.840 -0.089 0.000 0.747 229 L CB -0.326 41.658 42.059 -0.125 0.000 0.896 229 L HN 0.513 8.827 8.230 0.140 0.000 0.432 230 G N -2.429 106.425 108.800 0.089 0.000 2.402 230 G HA2 -0.451 nan 3.960 nan 0.000 0.216 230 G HA3 -0.451 nan 3.960 nan 0.000 0.216 230 G C 0.863 175.844 174.900 0.135 0.000 1.162 230 G CA 2.055 47.222 45.100 0.113 0.000 0.777 230 G HN -0.290 8.050 8.290 0.096 0.007 0.539 231 N N 0.153 118.942 118.700 0.149 0.000 2.166 231 N HA -0.222 nan 4.740 nan 0.000 0.186 231 N C 2.196 177.794 175.510 0.146 0.000 1.019 231 N CA 3.137 56.284 53.050 0.160 0.000 0.856 231 N CB 0.236 38.846 38.487 0.204 0.000 0.993 231 N HN -0.427 8.048 8.380 0.158 0.000 0.426 232 T N 2.750 117.383 114.554 0.131 0.000 2.770 232 T HA -0.230 nan 4.350 nan 0.000 0.263 232 T C 2.531 177.148 174.700 -0.138 0.000 1.039 232 T CA 4.656 66.759 62.100 0.006 0.000 1.142 232 T CB -0.390 68.431 68.868 -0.077 0.000 0.868 232 T HN -0.259 7.974 8.240 0.136 0.089 0.435 233 F N 1.453 121.289 119.950 -0.190 0.000 2.293 233 F HA -0.233 nan 4.527 nan 0.000 0.300 233 F C 1.533 177.262 175.800 -0.118 0.000 1.086 233 F CA 3.805 61.687 58.000 -0.198 0.000 1.375 233 F CB -0.160 38.739 39.000 -0.168 0.000 1.045 233 F HN 0.081 8.538 8.300 0.261 0.000 0.516 234 R N -1.592 118.976 120.500 0.113 0.000 2.064 234 R HA -0.129 nan 4.340 nan 0.000 0.221 234 R C 1.851 178.174 176.300 0.039 0.000 1.136 234 R CA 3.284 59.440 56.100 0.094 0.000 0.980 234 R CB 0.463 30.826 30.300 0.106 0.000 0.876 234 R HN -0.188 8.135 8.270 0.131 0.025 0.437 235 N N -3.940 114.773 118.700 0.021 0.000 2.210 235 N HA 0.084 nan 4.740 nan 0.000 0.203 235 N C -0.258 175.212 175.510 -0.066 0.000 1.175 235 N CA 0.332 53.387 53.050 0.008 0.000 0.894 235 N CB 2.322 40.849 38.487 0.068 0.000 1.041 235 N HN 0.023 8.322 8.380 0.042 0.106 0.506 236 G N 0.114 108.808 108.800 -0.177 0.000 2.736 236 G HA2 0.211 nan 3.960 nan 0.000 0.229 236 G HA3 0.211 nan 3.960 nan 0.000 0.229 236 G C -1.893 172.466 174.900 -0.901 0.000 1.380 236 G CA -1.086 43.663 45.100 -0.585 0.000 1.040 236 G HN -0.653 7.467 8.290 -0.123 0.096 0.568 237 S N -1.108 113.604 115.700 -1.647 0.000 2.473 237 S HA 0.308 nan 4.470 nan 0.000 0.307 237 S C 0.858 174.890 174.600 -0.948 0.000 1.094 237 S CA -0.487 56.972 58.200 -1.236 0.000 1.070 237 S CB 2.215 64.602 63.200 -1.355 0.000 1.019 237 S HN -0.195 6.372 8.310 -2.904 0.000 0.480 238 L N 4.858 125.673 121.223 -0.681 0.000 2.275 238 L HA -0.295 nan 4.340 nan 0.000 0.215 238 L C 1.421 178.155 176.870 -0.226 0.000 1.119 238 L CA 3.005 57.501 54.840 -0.573 0.000 0.790 238 L CB -0.828 40.856 42.059 -0.625 0.000 0.919 238 L HN 0.720 8.861 8.230 -0.644 -0.297 0.443 239 A N 0.174 122.886 122.820 -0.180 0.000 2.076 239 A HA -0.204 nan 4.320 nan 0.000 0.220 239 A C 2.004 179.736 177.584 0.248 0.000 1.160 239 A CA 2.855 54.958 52.037 0.111 0.000 0.653 239 A CB -1.130 17.869 19.000 -0.000 0.000 0.801 239 A HN 0.031 7.932 8.150 -0.354 0.036 0.455 240 W N -3.110 118.183 121.300 -0.012 0.000 2.425 240 W HA -0.157 nan 4.660 nan 0.000 0.277 240 W C 1.216 177.796 176.519 0.100 0.000 1.231 240 W CA 0.888 58.261 57.345 0.047 0.000 1.248 240 W CB -0.935 28.605 29.460 0.133 0.000 1.117 240 W HN -0.387 7.608 8.180 -0.047 0.158 0.568 241 L N -2.989 118.286 121.223 0.086 0.000 2.650 241 L HA -0.212 nan 4.340 nan 0.000 0.235 241 L C 1.768 178.378 176.870 -0.434 0.000 1.149 241 L CA 1.046 55.728 54.840 -0.264 0.000 0.887 241 L CB -1.221 40.415 42.059 -0.705 0.000 1.021 241 L HN -0.483 7.617 8.230 0.041 0.155 0.441 242 S N 1.543 116.791 115.700 -0.755 0.000 2.407 242 S HA -0.348 nan 4.470 nan 0.000 0.235 242 S C 0.774 174.990 174.600 -0.639 0.000 1.036 242 S CA 3.260 60.511 58.200 -1.582 0.000 1.013 242 S CB -0.240 62.113 63.200 -1.411 0.000 0.820 242 S HN -0.236 7.749 8.310 -0.406 0.082 0.476 243 N N -0.886 117.690 118.700 -0.205 0.000 2.553 243 N HA 0.111 nan 4.740 nan 0.000 0.298 243 N C -2.020 173.564 175.510 0.123 0.000 1.596 243 N CA -2.204 50.857 53.050 0.018 0.000 0.910 243 N CB -0.275 38.216 38.487 0.006 0.000 1.336 243 N HN -0.751 7.534 8.380 -0.110 0.029 0.497 244 F N 2.159 121.914 119.950 -0.326 0.000 2.563 244 F HA -0.206 nan 4.527 nan 0.000 0.363 244 F C 0.220 175.736 175.800 -0.473 0.000 1.123 244 F CA 1.596 59.106 58.000 -0.817 0.000 1.307 244 F CB 0.612 39.034 39.000 -0.963 0.000 1.115 244 F HN -0.652 7.602 8.300 -0.077 0.000 0.592 245 G N 5.695 113.865 108.800 -1.050 0.000 2.253 245 G HA2 -0.202 nan 3.960 nan 0.000 0.190 245 G HA3 -0.202 nan 3.960 nan 0.000 0.190 245 G C -0.163 174.402 174.900 -0.558 0.000 1.274 245 G CA -0.060 44.464 45.100 -0.960 0.000 1.275 245 G HN -0.154 7.086 8.290 -1.751 0.000 0.518 246 E N 4.849 124.960 120.200 -0.147 0.000 2.130 246 E HA -0.331 nan 4.350 nan 0.000 0.196 246 E C 2.557 179.115 176.600 -0.069 0.000 0.998 246 E CA 3.086 59.476 56.400 -0.016 0.000 0.806 246 E CB -0.165 29.576 29.700 0.070 0.000 0.738 246 E HN 0.489 8.815 8.360 -0.057 0.000 0.459 247 G N -1.922 106.837 108.800 -0.068 0.000 2.509 247 G HA2 -0.212 nan 3.960 nan 0.000 0.218 247 G HA3 -0.212 nan 3.960 nan 0.000 0.218 247 G C 0.226 175.054 174.900 -0.121 0.000 1.124 247 G CA 0.906 45.969 45.100 -0.060 0.000 0.776 247 G HN 0.214 8.456 8.290 -0.054 0.015 0.547 248 W N 0.522 121.506 121.300 -0.527 0.000 3.290 248 W HA 0.144 nan 4.660 nan 0.000 0.287 248 W C -0.260 175.976 176.519 -0.473 0.000 1.288 248 W CA -0.437 56.534 57.345 -0.623 0.000 1.725 248 W CB -0.157 28.618 29.460 -1.141 0.000 1.103 248 W HN -0.560 7.351 8.180 -0.196 0.152 0.670 249 G N -2.758 105.971 108.800 -0.119 0.000 2.131 249 G HA2 -0.404 nan 3.960 nan 0.000 0.223 249 G HA3 -0.404 nan 3.960 nan 0.000 0.223 249 G C -0.762 174.306 174.900 0.279 0.000 0.990 249 G CA -0.149 44.989 45.100 0.064 0.000 0.671 249 G HN -0.323 7.682 8.290 -0.139 0.202 0.521 250 F N -0.463 119.508 119.950 0.036 0.000 2.370 250 F HA 0.291 nan 4.527 nan 0.000 0.324 250 F C 0.500 176.367 175.800 0.112 0.000 1.116 250 F CA -1.851 56.180 58.000 0.051 0.000 1.123 250 F CB 0.817 39.786 39.000 -0.051 0.000 1.238 250 F HN -0.962 7.243 8.300 -0.096 0.038 0.536 251 M N 0.351 120.163 119.600 0.353 0.000 2.113 251 M HA 0.328 nan 4.480 nan 0.000 0.288 251 M C -1.612 174.854 176.300 0.278 0.000 1.225 251 M CA -0.427 55.020 55.300 0.246 0.000 1.148 251 M CB -0.766 31.944 32.600 0.182 0.000 1.388 251 M HN 0.383 9.174 8.290 0.333 -0.302 0.469 252 P HA -0.157 nan 4.420 nan 0.000 0.265 252 P C 0.373 177.719 177.300 0.078 0.000 1.187 252 P CA 0.788 63.969 63.100 0.134 0.000 0.766 252 P CB 0.060 31.795 31.700 0.059 0.000 0.820 253 S N 5.316 121.057 115.700 0.069 0.000 2.365 253 S HA -0.349 nan 4.470 nan 0.000 0.225 253 S C 1.672 176.085 174.600 -0.311 0.000 1.039 253 S CA 3.254 61.294 58.200 -0.267 0.000 1.033 253 S CB -0.090 63.053 63.200 -0.094 0.000 0.887 253 S HN 0.111 8.766 8.310 0.162 -0.249 0.447 254 S N -0.644 114.938 115.700 -0.197 0.000 2.595 254 S HA -0.089 nan 4.470 nan 0.000 0.235 254 S C 1.034 175.541 174.600 -0.154 0.000 0.974 254 S CA 2.276 60.350 58.200 -0.209 0.000 0.942 254 S CB -0.542 62.550 63.200 -0.181 0.000 0.766 254 S HN 0.310 8.542 8.310 -0.129 0.000 0.536 255 S N 0.389 116.023 115.700 -0.111 0.000 2.559 255 S HA 0.142 nan 4.470 nan 0.000 0.226 255 S C -1.893 172.682 174.600 -0.041 0.000 1.000 255 S CA 0.026 58.195 58.200 -0.052 0.000 0.948 255 S CB 0.950 64.151 63.200 0.002 0.000 0.870 255 S HN -0.443 7.614 8.310 -0.111 0.186 0.497 256 A N 0.718 123.466 122.820 -0.119 0.000 2.312 256 A HA 0.634 nan 4.320 nan 0.000 0.326 256 A C -2.019 175.490 177.584 -0.125 0.000 1.172 256 A CA -1.101 50.859 52.037 -0.128 0.000 0.821 256 A CB 2.053 20.917 19.000 -0.226 0.000 1.166 256 A HN -0.650 7.382 8.150 -0.197 0.000 0.493 257 V N 3.367 123.231 119.914 -0.083 0.000 2.384 257 V HA 0.555 nan 4.120 nan 0.000 0.287 257 V C -1.286 174.686 176.094 -0.204 0.000 1.020 257 V CA -0.711 61.534 62.300 -0.093 0.000 0.850 257 V CB 1.517 33.285 31.823 -0.091 0.000 0.987 257 V HN 0.131 8.296 8.190 -0.041 0.000 0.436 258 V N 0.785 120.498 119.914 -0.335 0.000 2.960 258 V HA 0.942 nan 4.120 nan 0.000 0.315 258 V C -2.500 173.338 176.094 -0.427 0.000 1.087 258 V CA -3.125 58.774 62.300 -0.669 0.000 0.982 258 V CB 3.186 34.332 31.823 -1.129 0.000 1.039 258 V HN 0.325 8.231 8.190 -0.279 0.116 0.437 259 F N -3.271 116.496 119.950 -0.305 0.000 2.719 259 F HA 0.507 nan 4.527 nan 0.000 0.309 259 F C -1.396 174.421 175.800 0.028 0.000 1.138 259 F CA -0.896 57.002 58.000 -0.169 0.000 0.943 259 F CB 1.754 40.626 39.000 -0.215 0.000 1.304 259 F HN -0.356 7.241 8.300 -1.173 0.000 0.445 260 V N -1.311 118.743 119.914 0.233 0.000 2.446 260 V HA -0.009 nan 4.120 nan 0.000 0.244 260 V C -1.139 175.139 176.094 0.307 0.000 1.039 260 V CA 2.497 64.921 62.300 0.206 0.000 1.045 260 V CB 0.190 32.053 31.823 0.066 0.000 0.681 260 V HN 0.638 8.949 8.190 0.202 0.000 0.459 261 D N -5.304 115.327 120.400 0.386 0.000 2.609 261 D HA 0.197 nan 4.640 nan 0.000 0.239 261 D C -2.152 174.226 176.300 0.130 0.000 1.229 261 D CA -1.459 52.732 54.000 0.320 0.000 0.808 261 D CB 2.883 43.817 40.800 0.224 0.000 1.448 261 D HN -0.643 7.940 8.370 0.354 0.000 0.433 262 N N -1.250 117.405 118.700 -0.074 0.000 2.701 262 N HA 0.248 nan 4.740 nan 0.000 0.290 262 N C 0.669 176.003 175.510 -0.293 0.000 1.338 262 N CA -1.922 50.952 53.050 -0.294 0.000 0.799 262 N CB 2.458 40.575 38.487 -0.617 0.000 1.491 262 N HN 0.033 8.725 8.380 0.012 -0.305 0.540 263 H N -2.516 116.307 119.070 -0.412 0.000 2.422 263 H HA -0.363 nan 4.556 nan 0.000 0.298 263 H C 0.662 175.556 175.328 -0.723 0.000 1.098 263 H CA 4.006 59.554 56.048 -0.832 0.000 1.315 263 H CB -0.569 28.353 29.762 -1.401 0.000 1.382 263 H HN 0.485 8.780 8.280 0.025 0.000 0.523 264 D N 0.500 120.174 120.400 -1.212 0.000 2.146 264 D HA -0.156 nan 4.640 nan 0.000 0.209 264 D C 1.924 178.020 176.300 -0.340 0.000 0.973 264 D CA 2.198 55.751 54.000 -0.745 0.000 0.860 264 D CB 0.266 40.680 40.800 -0.643 0.000 1.015 264 D HN -0.155 7.454 8.370 -1.384 -0.069 0.465 265 N N -0.103 118.483 118.700 -0.190 0.000 2.512 265 N HA -0.214 nan 4.740 nan 0.000 0.183 265 N C 1.693 177.182 175.510 -0.034 0.000 1.073 265 N CA 1.892 54.919 53.050 -0.037 0.000 0.911 265 N CB -0.455 38.106 38.487 0.124 0.000 0.964 265 N HN 0.323 9.047 8.380 -0.194 -0.461 0.447 266 Q N -2.016 117.728 119.800 -0.094 0.000 2.472 266 Q HA -0.025 nan 4.340 nan 0.000 0.208 266 Q C 1.165 177.159 176.000 -0.010 0.000 0.958 266 Q CA 1.769 57.556 55.803 -0.025 0.000 0.932 266 Q CB -0.097 28.641 28.738 0.001 0.000 1.007 266 Q HN -0.309 7.802 8.270 -0.188 0.047 0.508 267 R N -1.668 118.747 120.500 -0.141 0.000 2.308 267 R HA 0.152 nan 4.340 nan 0.000 0.202 267 R C -0.229 176.053 176.300 -0.030 0.000 0.898 267 R CA 0.093 56.096 56.100 -0.161 0.000 1.046 267 R CB 0.688 30.778 30.300 -0.350 0.000 1.026 267 R HN -0.450 7.642 8.270 -0.197 0.059 0.512 268 G N -1.478 107.310 108.800 -0.020 0.000 2.427 268 G HA2 -0.274 nan 3.960 nan 0.000 0.193 268 G HA3 -0.274 nan 3.960 nan 0.000 0.193 268 G C -0.492 174.408 174.900 -0.001 0.000 1.086 268 G CA 0.034 45.140 45.100 0.009 0.000 0.818 268 G HN -0.106 8.031 8.290 -0.043 0.126 0.490 269 H N -1.978 117.080 119.070 -0.021 0.000 0.000 269 H HA 0.984 5.620 4.556 0.133 0.000 0.000 269 H C 0.208 nan 175.328 nan 0.000 0.000 269 H CA 0.097 nan 56.048 nan 0.000 0.000 269 H CB 1.114 nan 29.762 nan 0.000 0.000 269 H HN 1.859 nan 8.280 nan 0.000 0.000 270 G N 0.008 108.838 108.800 0.049 0.000 0.000 270 G HA2 0.082 4.122 3.960 0.133 0.000 0.000 270 G HA3 0.082 4.122 3.960 0.133 0.000 0.000 270 G C -0.049 174.879 174.900 0.046 0.000 0.000 270 G CA 0.061 45.196 45.100 0.059 0.000 0.000 270 G HN 0.470 nan 8.290 nan 0.000 0.000 271 G N 3.447 112.267 108.800 0.034 0.000 2.559 271 G HA2 -0.314 nan 3.960 nan 0.000 0.282 271 G HA3 -0.314 nan 3.960 nan 0.000 0.282 271 G C -0.633 174.286 174.900 0.032 0.000 1.177 271 G CA -0.329 44.789 45.100 0.030 0.000 0.960 271 G HN 0.033 8.337 8.290 0.025 0.000 0.540 272 A N 4.492 127.333 122.820 0.034 0.000 2.457 272 A HA 0.163 nan 4.320 nan 0.000 0.298 272 A C -0.273 177.336 177.584 0.041 0.000 1.288 272 A CA 0.205 52.264 52.037 0.037 0.000 0.956 272 A CB -0.302 18.718 19.000 0.034 0.000 1.135 272 A HN 0.182 8.352 8.150 0.034 0.000 0.535 273 G N 1.663 110.491 108.800 0.047 0.000 2.433 273 G HA2 -0.103 nan 3.960 nan 0.000 0.306 273 G HA3 -0.103 nan 3.960 nan 0.000 0.306 273 G C -1.537 173.402 174.900 0.064 0.000 1.627 273 G CA 0.183 45.316 45.100 0.054 0.000 0.893 273 G HN -0.357 7.962 8.290 0.048 0.000 0.648 274 N N 1.565 120.312 118.700 0.078 0.000 2.446 274 N HA -0.059 nan 4.740 nan 0.000 0.179 274 N C 0.378 175.947 175.510 0.097 0.000 1.054 274 N CA 0.257 53.362 53.050 0.091 0.000 0.905 274 N CB 0.188 38.739 38.487 0.107 0.000 0.973 274 N HN 0.066 8.494 8.380 0.080 0.000 0.448 275 V N 0.250 120.223 119.914 0.098 0.000 2.720 275 V HA -0.140 nan 4.120 nan 0.000 0.307 275 V C -0.473 175.681 176.094 0.100 0.000 1.071 275 V CA 0.724 63.091 62.300 0.111 0.000 1.199 275 V CB -0.153 31.740 31.823 0.117 0.000 0.900 275 V HN -0.376 7.870 8.190 0.092 0.000 0.494 276 I N 6.910 127.558 120.570 0.129 0.000 2.359 276 I HA 0.437 nan 4.170 nan 0.000 0.294 276 I C -0.713 175.535 176.117 0.217 0.000 0.987 276 I CA -0.180 61.213 61.300 0.156 0.000 1.225 276 I CB 0.800 38.891 38.000 0.152 0.000 1.366 276 I HN 0.436 8.730 8.210 0.140 0.000 0.466 277 T N 0.837 115.393 114.554 0.005 0.000 2.693 277 T HA 0.626 nan 4.350 nan 0.000 0.278 277 T C 0.750 174.961 174.700 -0.815 0.000 0.994 277 T CA -1.999 59.888 62.100 -0.355 0.000 1.033 277 T CB 3.451 72.151 68.868 -0.280 0.000 1.342 277 T HN 0.135 8.661 8.240 -0.030 -0.303 0.538 278 F N -1.284 118.115 119.950 -0.920 0.000 2.333 278 F HA -0.088 nan 4.527 nan 0.000 0.300 278 F C 1.546 177.292 175.800 -0.090 0.000 1.083 278 F CA 2.228 59.890 58.000 -0.564 0.000 1.395 278 F CB -0.627 38.172 39.000 -0.335 0.000 1.056 278 F HN 0.606 8.653 8.300 -0.421 0.000 0.529 279 E N -1.075 118.585 120.200 -0.899 0.000 2.409 279 E HA -0.226 nan 4.350 nan 0.000 0.198 279 E C 0.740 177.222 176.600 -0.198 0.000 1.024 279 E CA 1.479 57.541 56.400 -0.563 0.000 0.861 279 E CB -0.443 28.838 29.700 -0.698 0.000 0.788 279 E HN -0.597 6.937 8.360 -1.305 0.043 0.521 280 D N -1.485 118.853 120.400 -0.104 0.000 2.328 280 D HA 0.195 nan 4.640 nan 0.000 0.221 280 D C 0.237 176.619 176.300 0.136 0.000 1.072 280 D CA 0.532 54.556 54.000 0.040 0.000 0.850 280 D CB 0.889 41.746 40.800 0.095 0.000 0.922 280 D HN -0.473 7.623 8.370 -0.172 0.171 0.516 281 G N 0.204 109.103 108.800 0.166 0.000 2.690 281 G HA2 -0.611 nan 3.960 nan 0.000 0.334 281 G HA3 -0.611 nan 3.960 nan 0.000 0.334 281 G C 0.542 175.578 174.900 0.228 0.000 1.250 281 G CA 1.680 46.887 45.100 0.177 0.000 0.994 281 G HN -0.513 7.792 8.290 0.148 0.074 0.549 282 R N 2.446 123.027 120.500 0.135 0.000 2.159 282 R HA -0.169 nan 4.340 nan 0.000 0.237 282 R C 1.745 178.205 176.300 0.268 0.000 1.131 282 R CA 1.435 57.623 56.100 0.146 0.000 0.982 282 R CB -0.672 29.715 30.300 0.145 0.000 0.868 282 R HN 0.096 8.411 8.270 0.076 0.000 0.453 283 L N -1.199 120.243 121.223 0.366 0.000 2.046 283 L HA -0.339 nan 4.340 nan 0.000 0.208 283 L C 1.143 178.115 176.870 0.171 0.000 1.077 283 L CA 3.210 58.246 54.840 0.327 0.000 0.747 283 L CB -0.357 41.922 42.059 0.367 0.000 0.896 283 L HN -0.270 8.151 8.230 0.349 0.018 0.432 284 Y N -0.430 119.933 120.300 0.104 0.000 2.224 284 Y HA -0.531 nan 4.550 nan 0.000 0.289 284 Y C 1.862 177.815 175.900 0.088 0.000 1.146 284 Y CA 3.407 61.557 58.100 0.082 0.000 1.182 284 Y CB -0.434 38.134 38.460 0.180 0.000 0.983 284 Y HN -0.543 7.879 8.280 0.382 0.088 0.524 285 D N -0.130 120.379 120.400 0.181 0.000 2.092 285 D HA -0.357 nan 4.640 nan 0.000 0.193 285 D C 2.526 178.846 176.300 0.032 0.000 0.994 285 D CA 3.749 57.809 54.000 0.099 0.000 0.828 285 D CB -0.338 40.404 40.800 -0.098 0.000 0.963 285 D HN -0.658 7.794 8.370 0.276 0.083 0.450 286 L N -1.377 119.854 121.223 0.015 0.000 2.042 286 L HA -0.372 nan 4.340 nan 0.000 0.210 286 L C 2.242 179.017 176.870 -0.158 0.000 1.076 286 L CA 3.058 57.927 54.840 0.048 0.000 0.749 286 L CB -0.575 41.578 42.059 0.157 0.000 0.893 286 L HN -0.439 7.811 8.230 0.033 0.000 0.432 287 A N -1.580 120.877 122.820 -0.604 0.000 1.933 287 A HA -0.408 nan 4.320 nan 0.000 0.218 287 A C 2.035 179.447 177.584 -0.287 0.000 1.175 287 A CA 3.262 54.748 52.037 -0.918 0.000 0.628 287 A CB -0.981 17.521 19.000 -0.828 0.000 0.814 287 A HN 0.111 7.978 8.150 -0.472 0.000 0.444 288 N N -1.514 117.036 118.700 -0.251 0.000 2.142 288 N HA -0.217 nan 4.740 nan 0.000 0.186 288 N C 2.187 177.710 175.510 0.021 0.000 1.023 288 N CA 3.739 56.709 53.050 -0.132 0.000 0.852 288 N CB 0.325 38.682 38.487 -0.218 0.000 0.998 288 N HN -0.554 7.621 8.380 -0.322 0.011 0.424 289 V N 0.584 120.535 119.914 0.062 0.000 2.407 289 V HA -0.374 nan 4.120 nan 0.000 0.248 289 V C 1.710 177.869 176.094 0.108 0.000 1.055 289 V CA 4.255 66.605 62.300 0.083 0.000 1.049 289 V CB -0.862 31.028 31.823 0.111 0.000 0.662 289 V HN 0.106 8.238 8.190 0.041 0.082 0.455 290 F N 0.588 120.595 119.950 0.095 0.000 2.102 290 F HA -0.449 nan 4.527 nan 0.000 0.298 290 F C 1.259 177.247 175.800 0.314 0.000 1.105 290 F CA 3.636 61.772 58.000 0.226 0.000 1.239 290 F CB 0.474 39.643 39.000 0.282 0.000 0.991 290 F HN -0.234 8.236 8.300 0.283 0.000 0.474 291 M N 0.147 119.891 119.600 0.240 0.000 2.080 291 M HA -0.503 nan 4.480 nan 0.000 0.260 291 M C 1.787 178.206 176.300 0.198 0.000 1.068 291 M CA 4.177 59.656 55.300 0.298 0.000 1.109 291 M CB 0.092 32.888 32.600 0.327 0.000 1.342 291 M HN -0.261 8.211 8.290 0.303 0.000 0.405 292 L N -4.217 117.089 121.223 0.137 0.000 2.217 292 L HA -0.249 nan 4.340 nan 0.000 0.211 292 L C 2.421 179.411 176.870 0.199 0.000 1.107 292 L CA 2.202 57.128 54.840 0.143 0.000 0.783 292 L CB -0.530 41.593 42.059 0.107 0.000 0.919 292 L HN -0.043 8.256 8.230 0.115 0.000 0.442 293 A N -0.348 122.556 122.820 0.140 0.000 1.943 293 A HA -0.075 nan 4.320 nan 0.000 0.213 293 A C -0.434 177.382 177.584 0.387 0.000 1.181 293 A CA 1.698 53.854 52.037 0.198 0.000 0.653 293 A CB 0.289 19.135 19.000 -0.257 0.000 0.833 293 A HN -0.373 7.693 8.150 0.064 0.122 0.451 294 Y N 1.037 121.413 120.300 0.128 0.000 2.526 294 Y HA 0.002 nan 4.550 nan 0.000 0.330 294 Y C -1.937 174.101 175.900 0.230 0.000 1.156 294 Y CA -1.755 56.396 58.100 0.086 0.000 1.419 294 Y CB 1.069 39.302 38.460 -0.378 0.000 1.250 294 Y HN -0.055 8.312 8.280 0.144 0.000 0.540 295 P HA -0.014 nan 4.420 nan 0.000 0.231 295 P C -2.362 175.125 177.300 0.312 0.000 1.811 295 P CA -0.095 63.127 63.100 0.203 0.000 1.051 295 P CB -1.645 30.149 31.700 0.156 0.000 1.951 296 Y N 2.997 123.469 120.300 0.285 0.000 2.399 296 Y HA -0.056 nan 4.550 nan 0.000 0.327 296 Y C -1.344 174.657 175.900 0.169 0.000 1.111 296 Y CA 0.189 58.446 58.100 0.262 0.000 1.047 296 Y CB 2.500 41.241 38.460 0.468 0.000 1.259 296 Y HN -0.274 8.246 8.280 0.475 0.045 0.434 297 G N 7.956 116.362 108.800 -0.657 0.000 2.782 297 G HA2 -0.401 nan 3.960 nan 0.000 0.228 297 G HA3 -0.401 nan 3.960 nan 0.000 0.228 297 G C -2.766 172.058 174.900 -0.126 0.000 1.372 297 G CA -0.135 44.652 45.100 -0.521 0.000 0.862 297 G HN 0.118 7.974 8.290 -0.725 0.000 0.547 298 Y N 0.698 120.864 120.300 -0.225 0.000 2.478 298 Y HA 0.453 nan 4.550 nan 0.000 0.329 298 Y C -2.180 173.696 175.900 -0.039 0.000 0.967 298 Y CA -4.748 53.309 58.100 -0.072 0.000 1.255 298 Y CB 1.328 39.755 38.460 -0.055 0.000 1.103 298 Y HN -0.072 8.063 8.280 -0.075 0.100 0.497 299 P HA 0.468 nan 4.420 nan 0.000 0.282 299 P C -2.124 174.871 177.300 -0.508 0.000 1.249 299 P CA -0.717 62.249 63.100 -0.222 0.000 0.806 299 P CB 1.338 32.992 31.700 -0.078 0.000 0.984 300 K N -1.325 118.690 120.400 -0.642 0.000 2.426 300 K HA 0.555 nan 4.320 nan 0.000 0.254 300 K C -0.588 175.790 176.600 -0.370 0.000 0.936 300 K CA -1.674 54.038 56.287 -0.958 0.000 0.801 300 K CB 2.316 33.737 32.500 -1.798 0.000 1.139 300 K HN 0.024 8.036 8.250 -0.397 0.000 0.424 301 V N 5.488 125.278 119.914 -0.208 0.000 2.649 301 V HA 0.119 nan 4.120 nan 0.000 0.292 301 V C -1.054 175.009 176.094 -0.051 0.000 1.055 301 V CA 0.455 62.738 62.300 -0.030 0.000 1.023 301 V CB 0.962 32.877 31.823 0.152 0.000 0.992 301 V HN 0.764 8.831 8.190 -0.205 0.000 0.480 302 M N 6.146 125.757 119.600 0.018 0.000 2.318 302 M HA 0.407 nan 4.480 nan 0.000 0.347 302 M C -1.489 174.801 176.300 -0.016 0.000 1.175 302 M CA -0.942 54.366 55.300 0.013 0.000 1.075 302 M CB 2.342 34.984 32.600 0.071 0.000 1.614 302 M HN 0.380 8.711 8.290 0.067 0.000 0.456 303 S N 5.046 120.703 115.700 -0.072 0.000 2.707 303 S HA 0.330 nan 4.470 nan 0.000 0.312 303 S C -1.349 173.289 174.600 0.063 0.000 1.116 303 S CA -1.472 56.712 58.200 -0.027 0.000 1.078 303 S CB 0.605 63.700 63.200 -0.174 0.000 0.997 303 S HN 0.152 8.395 8.310 -0.112 0.000 0.477 304 S N 7.626 123.341 115.700 0.026 0.000 2.786 304 S HA 0.710 nan 4.470 nan 0.000 0.307 304 S C -1.651 172.999 174.600 0.084 0.000 1.121 304 S CA -1.584 56.614 58.200 -0.004 0.000 0.975 304 S CB 2.587 65.602 63.200 -0.308 0.000 1.220 304 S HN 0.583 9.374 8.310 -0.084 -0.531 0.550 305 Y N -4.326 115.975 120.300 0.001 0.000 2.545 305 Y HA 0.530 nan 4.550 nan 0.000 0.348 305 Y C -1.757 173.991 175.900 -0.252 0.000 1.002 305 Y CA -2.719 55.276 58.100 -0.176 0.000 1.039 305 Y CB 2.220 40.478 38.460 -0.338 0.000 1.271 305 Y HN 0.094 8.089 8.280 -0.475 0.000 0.467 306 D N 2.163 122.469 120.400 -0.157 0.000 2.346 306 D HA -0.085 nan 4.640 nan 0.000 0.260 306 D C -0.517 175.663 176.300 -0.200 0.000 1.252 306 D CA 0.522 54.337 54.000 -0.308 0.000 0.895 306 D CB 0.798 41.322 40.800 -0.460 0.000 1.097 306 D HN 0.068 8.347 8.370 -0.151 0.000 0.489 307 F N -0.833 119.113 119.950 -0.006 0.000 2.765 307 F HA 0.126 nan 4.527 nan 0.000 0.302 307 F C 0.246 176.150 175.800 0.174 0.000 1.111 307 F CA -0.650 57.451 58.000 0.168 0.000 1.359 307 F CB 0.039 39.170 39.000 0.217 0.000 1.097 307 F HN -0.323 7.612 8.300 -0.608 0.000 0.577 308 H N -0.151 118.926 119.070 0.010 0.000 2.756 308 H HA -0.379 nan 4.556 nan 0.000 0.315 308 H C 0.808 176.194 175.328 0.097 0.000 1.210 308 H CA 0.402 56.464 56.048 0.024 0.000 1.150 308 H CB -3.188 26.611 29.762 0.063 0.000 1.463 308 H HN -0.186 7.865 8.280 -0.589 -0.124 0.427 309 G N -2.875 106.026 108.800 0.168 0.000 2.284 309 G HA2 -0.544 nan 3.960 nan 0.000 0.261 309 G HA3 -0.544 nan 3.960 nan 0.000 0.261 309 G C -0.869 174.265 174.900 0.390 0.000 0.997 309 G CA 0.065 45.322 45.100 0.262 0.000 0.621 309 G HN 0.305 8.533 8.290 -0.102 0.000 0.534 310 D N 2.382 123.056 120.400 0.457 0.000 2.339 310 D HA 0.131 nan 4.640 nan 0.000 0.241 310 D C 0.908 177.441 176.300 0.390 0.000 1.183 310 D CA -0.434 53.791 54.000 0.376 0.000 0.859 310 D CB 0.469 41.461 40.800 0.320 0.000 1.067 310 D HN -0.649 7.907 8.370 0.478 0.102 0.484 311 T N 0.698 115.413 114.554 0.269 0.000 3.148 311 T HA 0.103 nan 4.350 nan 0.000 0.253 311 T C 0.860 175.808 174.700 0.413 0.000 1.134 311 T CA 1.120 63.304 62.100 0.140 0.000 1.051 311 T CB -0.070 68.861 68.868 0.106 0.000 0.959 311 T HN 0.406 8.801 8.240 0.260 0.000 0.525 312 D N 1.921 122.584 120.400 0.438 0.000 2.380 312 D HA 0.163 nan 4.640 nan 0.000 0.212 312 D C -0.481 176.046 176.300 0.378 0.000 1.021 312 D CA 1.308 55.615 54.000 0.512 0.000 0.884 312 D CB 0.692 41.754 40.800 0.436 0.000 1.001 312 D HN 0.078 8.900 8.370 0.346 -0.245 0.506 313 A N -0.265 122.766 122.820 0.352 0.000 2.586 313 A HA -0.137 nan 4.320 nan 0.000 0.231 313 A C -0.272 177.518 177.584 0.345 0.000 1.055 313 A CA 1.133 53.338 52.037 0.280 0.000 0.756 313 A CB 0.668 19.849 19.000 0.302 0.000 0.988 313 A HN -0.930 7.607 8.150 0.352 -0.176 0.509 314 G N -0.844 108.017 108.800 0.102 0.000 2.532 314 G HA2 0.001 nan 3.960 nan 0.000 0.291 314 G HA3 0.001 nan 3.960 nan 0.000 0.291 314 G C -0.478 174.147 174.900 -0.459 0.000 1.349 314 G CA -1.531 43.558 45.100 -0.018 0.000 1.038 314 G HN -0.153 8.150 8.290 0.023 0.000 0.518 315 G N -1.054 107.244 108.800 -0.838 0.000 2.651 315 G HA2 -0.033 nan 3.960 nan 0.000 0.260 315 G HA3 -0.033 nan 3.960 nan 0.000 0.260 315 G C -2.072 172.289 174.900 -0.900 0.000 1.216 315 G CA -0.618 43.577 45.100 -1.508 0.000 0.913 315 G HN 0.060 8.052 8.290 -0.497 0.000 0.535 316 P HA 0.007 nan 4.420 nan 0.000 0.269 316 P C -0.621 176.477 177.300 -0.336 0.000 1.217 316 P CA 0.004 62.716 63.100 -0.646 0.000 0.783 316 P CB 0.642 31.782 31.700 -0.934 0.000 0.898 317 N N -0.109 118.469 118.700 -0.203 0.000 2.354 317 N HA -0.120 nan 4.740 nan 0.000 0.179 317 N C -0.322 175.155 175.510 -0.055 0.000 1.021 317 N CA 1.300 54.284 53.050 -0.111 0.000 0.887 317 N CB 0.170 38.604 38.487 -0.089 0.000 0.974 317 N HN 0.428 8.686 8.380 -0.203 0.000 0.437 318 V N 2.079 121.969 119.914 -0.040 0.000 2.607 318 V HA 0.438 nan 4.120 nan 0.000 0.289 318 V C -1.885 174.285 176.094 0.127 0.000 1.053 318 V CA -3.624 58.686 62.300 0.017 0.000 0.996 318 V CB 1.100 32.924 31.823 0.002 0.000 0.995 318 V HN -0.522 7.586 8.190 -0.090 0.028 0.476 319 P HA 0.129 nan 4.420 nan 0.000 0.274 319 P C -0.885 176.304 177.300 -0.185 0.000 1.246 319 P CA -0.547 62.509 63.100 -0.073 0.000 0.795 319 P CB 1.094 32.734 31.700 -0.099 0.000 1.006 320 V N -2.548 116.973 119.914 -0.656 0.000 2.307 320 V HA -0.239 nan 4.120 nan 0.000 0.245 320 V C 1.183 176.903 176.094 -0.624 0.000 1.045 320 V CA 3.523 65.269 62.300 -0.924 0.000 1.024 320 V CB -0.013 30.833 31.823 -1.629 0.000 0.651 320 V HN 0.242 8.363 8.190 -0.835 -0.432 0.449 321 H N -2.072 116.828 119.070 -0.283 0.000 2.821 321 H HA 0.326 nan 4.556 nan 0.000 0.262 321 H C -0.710 174.559 175.328 -0.099 0.000 1.402 321 H CA -1.170 54.792 56.048 -0.144 0.000 1.293 321 H CB -1.515 28.185 29.762 -0.103 0.000 1.533 321 H HN -0.398 8.002 8.280 -0.313 -0.308 0.528 322 N N 5.662 124.353 118.700 -0.015 0.000 3.298 322 N HA -0.113 nan 4.740 nan 0.000 0.292 322 N C -1.476 174.042 175.510 0.014 0.000 1.271 322 N CA -1.313 51.733 53.050 -0.007 0.000 1.184 322 N CB -0.931 37.544 38.487 -0.020 0.000 1.452 322 N HN -0.271 8.075 8.380 -0.057 0.000 0.534 323 N N 2.534 121.251 118.700 0.028 0.000 2.610 323 N HA -0.327 nan 4.740 nan 0.000 0.271 323 N C 0.160 175.692 175.510 0.035 0.000 1.146 323 N CA 0.070 53.136 53.050 0.027 0.000 0.711 323 N CB -1.169 37.328 38.487 0.016 0.000 0.883 323 N HN -0.250 8.098 8.380 0.034 0.052 0.548 324 G N -3.574 105.258 108.800 0.053 0.000 2.233 324 G HA2 -0.472 nan 3.960 nan 0.000 0.270 324 G HA3 -0.472 nan 3.960 nan 0.000 0.270 324 G C -1.247 173.687 174.900 0.058 0.000 1.011 324 G CA 0.590 45.726 45.100 0.059 0.000 0.762 324 G HN 0.425 8.752 8.290 0.062 0.000 0.511 325 N N -1.913 116.817 118.700 0.050 0.000 2.577 325 N HA 0.074 nan 4.740 nan 0.000 0.275 325 N C -1.826 173.682 175.510 -0.003 0.000 1.091 325 N CA -0.949 52.118 53.050 0.029 0.000 0.843 325 N CB 1.866 40.364 38.487 0.018 0.000 1.295 325 N HN -0.426 7.945 8.380 0.054 0.042 0.530 326 L N 4.286 125.501 121.223 -0.012 0.000 2.433 326 L HA 0.030 nan 4.340 nan 0.000 0.275 326 L C 0.141 176.929 176.870 -0.136 0.000 1.128 326 L CA 0.622 55.394 54.840 -0.115 0.000 0.875 326 L CB 0.611 42.623 42.059 -0.079 0.000 1.171 326 L HN 0.469 8.714 8.230 0.026 0.000 0.463 327 E N 7.650 127.744 120.200 -0.176 0.000 2.325 327 E HA 0.099 nan 4.350 nan 0.000 0.295 327 E C -1.492 175.057 176.600 -0.086 0.000 1.461 327 E CA -0.805 55.550 56.400 -0.075 0.000 1.698 327 E CB -1.937 27.779 29.700 0.028 0.000 1.496 327 E HN 0.490 8.698 8.360 -0.253 0.000 0.474 328 c N -0.125 118.302 118.600 -0.289 0.000 2.595 328 c HA 0.483 nan 4.570 nan 0.000 0.338 328 c C -0.430 173.366 174.090 -0.490 0.000 1.219 328 c CA -0.050 55.931 56.329 -0.580 0.000 1.811 328 c CB 2.188 43.881 42.510 -1.363 0.000 2.313 328 c HN -0.415 7.559 8.230 -0.296 0.079 0.499 329 F N -2.978 117.080 119.950 0.180 0.000 2.705 329 F HA -0.476 nan 4.527 nan 0.000 0.413 329 F C -0.505 175.350 175.800 0.091 0.000 0.588 329 F CA 1.583 59.675 58.000 0.153 0.000 1.187 329 F CB -2.089 36.944 39.000 0.056 0.000 1.737 329 F HN 0.128 8.302 8.300 -0.211 0.000 0.285 330 A N -1.091 121.836 122.820 0.178 0.000 3.711 330 A HA 0.213 nan 4.320 nan 0.000 0.185 330 A C 0.097 177.732 177.584 0.085 0.000 1.697 330 A CA 0.388 52.497 52.037 0.119 0.000 1.787 330 A CB 0.949 20.001 19.000 0.087 0.000 1.545 330 A HN -0.247 7.882 8.150 0.113 0.089 0.553 331 S N -1.270 114.469 115.700 0.066 0.000 2.575 331 S HA -0.128 nan 4.470 nan 0.000 0.215 331 S C 0.368 174.983 174.600 0.026 0.000 0.966 331 S CA 1.353 59.604 58.200 0.086 0.000 0.911 331 S CB -0.199 63.096 63.200 0.159 0.000 0.780 331 S HN 0.327 8.672 8.310 0.059 0.000 0.514 332 N N 2.469 121.133 118.700 -0.061 0.000 2.019 332 N HA 0.213 nan 4.740 nan 0.000 0.197 332 N C -0.943 174.381 175.510 -0.309 0.000 1.232 332 N CA 0.696 53.596 53.050 -0.251 0.000 1.059 332 N CB 1.221 39.541 38.487 -0.277 0.000 1.352 332 N HN -0.601 7.706 8.380 -0.023 0.059 0.428 333 W N -0.003 121.258 121.300 -0.065 0.000 2.287 333 W HA 0.050 nan 4.660 nan 0.000 0.313 333 W C 0.513 177.005 176.519 -0.045 0.000 1.267 333 W CA -0.221 57.103 57.345 -0.035 0.000 1.201 333 W CB 0.131 29.517 29.460 -0.123 0.000 1.196 333 W HN -0.447 7.663 8.180 -0.118 0.000 0.536 334 K N 1.648 122.138 120.400 0.149 0.000 2.116 334 K HA -0.092 nan 4.320 nan 0.000 0.203 334 K C 0.519 177.304 176.600 0.308 0.000 1.052 334 K CA 0.051 56.429 56.287 0.151 0.000 0.952 334 K CB 0.357 32.752 32.500 -0.175 0.000 0.729 334 K HN 0.451 8.674 8.250 0.138 0.110 0.446 335 c N -2.381 116.343 118.600 0.206 0.000 4.209 335 c HA -0.303 nan 4.570 nan 0.000 0.305 335 c C 1.193 175.239 174.090 -0.073 0.000 1.339 335 c CA -0.237 56.166 56.329 0.124 0.000 2.062 335 c CB -3.060 39.397 42.510 -0.088 0.000 1.307 335 c HN -0.065 8.324 8.230 0.265 0.000 0.706 336 E N 1.048 121.031 120.200 -0.360 0.000 2.209 336 E HA -0.363 nan 4.350 nan 0.000 0.196 336 E C 1.542 177.966 176.600 -0.294 0.000 0.993 336 E CA 3.287 59.140 56.400 -0.912 0.000 0.819 336 E CB -0.350 28.953 29.700 -0.662 0.000 0.745 336 E HN 0.625 8.865 8.360 -0.201 0.000 0.477 337 H N -3.533 115.480 119.070 -0.095 0.000 2.561 337 H HA -0.070 nan 4.556 nan 0.000 0.278 337 H C 1.162 176.645 175.328 0.259 0.000 1.014 337 H CA 2.080 58.166 56.048 0.063 0.000 1.211 337 H CB -0.509 29.122 29.762 -0.219 0.000 1.365 337 H HN -0.258 8.042 8.280 0.085 0.031 0.594 338 R N -2.286 118.068 120.500 -0.243 0.000 2.365 338 R HA -0.010 nan 4.340 nan 0.000 0.223 338 R C -0.465 176.081 176.300 0.410 0.000 0.899 338 R CA -0.479 55.613 56.100 -0.014 0.000 1.059 338 R CB 0.597 30.780 30.300 -0.194 0.000 1.086 338 R HN -0.402 7.488 8.270 -0.308 0.196 0.522 339 W N 1.431 122.833 121.300 0.170 0.000 2.223 339 W HA 0.016 nan 4.660 nan 0.000 0.334 339 W C 1.732 178.363 176.519 0.186 0.000 1.334 339 W CA -0.869 56.565 57.345 0.149 0.000 1.246 339 W CB -1.023 28.557 29.460 0.200 0.000 1.184 339 W HN -0.503 7.803 8.180 0.437 0.136 0.563 340 S N 5.476 121.381 115.700 0.342 0.000 2.378 340 S HA -0.504 nan 4.470 nan 0.000 0.229 340 S C 1.778 176.554 174.600 0.294 0.000 1.052 340 S CA 4.038 62.401 58.200 0.271 0.000 1.084 340 S CB -0.169 63.159 63.200 0.213 0.000 0.950 340 S HN 0.505 8.939 8.310 0.207 0.000 0.440 341 Y N -1.562 118.852 120.300 0.190 0.000 2.263 341 Y HA -0.216 nan 4.550 nan 0.000 0.292 341 Y C 2.425 178.420 175.900 0.159 0.000 1.130 341 Y CA 3.004 61.197 58.100 0.156 0.000 1.179 341 Y CB -0.187 38.365 38.460 0.154 0.000 0.998 341 Y HN 0.034 8.763 8.280 0.749 0.000 0.532 342 I N -0.687 120.113 120.570 0.384 0.000 2.233 342 I HA -0.563 nan 4.170 nan 0.000 0.243 342 I C 1.456 177.722 176.117 0.249 0.000 1.093 342 I CA 3.118 64.581 61.300 0.271 0.000 1.380 342 I CB -0.433 37.723 38.000 0.260 0.000 1.067 342 I HN -0.812 7.692 8.210 0.491 0.000 0.413 343 A N -0.857 122.150 122.820 0.313 0.000 1.902 343 A HA -0.252 nan 4.320 nan 0.000 0.217 343 A C 2.134 179.816 177.584 0.162 0.000 1.181 343 A CA 3.486 55.702 52.037 0.298 0.000 0.623 343 A CB -0.956 18.283 19.000 0.398 0.000 0.818 343 A HN 0.509 8.874 8.150 0.358 0.000 0.443 344 G N -2.637 106.251 108.800 0.147 0.000 2.432 344 G HA2 -0.342 nan 3.960 nan 0.000 0.219 344 G HA3 -0.342 nan 3.960 nan 0.000 0.219 344 G C 1.156 176.118 174.900 0.104 0.000 1.135 344 G CA 1.729 46.884 45.100 0.092 0.000 0.767 344 G HN -0.174 8.222 8.290 0.176 0.000 0.550 345 G N 1.270 110.130 108.800 0.101 0.000 2.402 345 G HA2 -0.235 nan 3.960 nan 0.000 0.216 345 G HA3 -0.235 nan 3.960 nan 0.000 0.216 345 G C 1.090 176.060 174.900 0.118 0.000 1.162 345 G CA 1.629 46.790 45.100 0.101 0.000 0.777 345 G HN -0.503 7.716 8.290 0.122 0.145 0.539 346 V N 2.804 122.740 119.914 0.036 0.000 2.343 346 V HA -0.493 nan 4.120 nan 0.000 0.247 346 V C 1.504 177.554 176.094 -0.074 0.000 1.051 346 V CA 3.997 66.243 62.300 -0.090 0.000 1.036 346 V CB -0.623 30.991 31.823 -0.348 0.000 0.654 346 V HN -0.037 8.108 8.190 0.051 0.075 0.451 347 D N -0.369 120.021 120.400 -0.018 0.000 2.144 347 D HA -0.312 nan 4.640 nan 0.000 0.199 347 D C 1.679 177.944 176.300 -0.058 0.000 0.984 347 D CA 3.067 57.055 54.000 -0.020 0.000 0.834 347 D CB 0.099 40.949 40.800 0.084 0.000 0.955 347 D HN -0.330 7.974 8.370 0.022 0.080 0.465 348 F N 0.680 120.591 119.950 -0.065 0.000 2.084 348 F HA -0.356 nan 4.527 nan 0.000 0.296 348 F C 1.338 177.034 175.800 -0.175 0.000 1.111 348 F CA 3.235 61.193 58.000 -0.071 0.000 1.224 348 F CB 0.422 39.415 39.000 -0.011 0.000 0.991 348 F HN -0.515 7.841 8.300 0.244 0.090 0.471 349 R N -1.737 118.755 120.500 -0.013 0.000 2.105 349 R HA -0.457 nan 4.340 nan 0.000 0.239 349 R C 1.985 178.129 176.300 -0.260 0.000 1.135 349 R CA 3.218 59.234 56.100 -0.139 0.000 0.967 349 R CB -0.229 30.088 30.300 0.027 0.000 0.861 349 R HN -0.002 8.361 8.270 0.156 0.000 0.442 350 N N -3.503 115.063 118.700 -0.224 0.000 2.188 350 N HA -0.112 nan 4.740 nan 0.000 0.184 350 N C 1.666 176.993 175.510 -0.305 0.000 1.018 350 N CA 2.285 55.209 53.050 -0.211 0.000 0.858 350 N CB -0.149 38.234 38.487 -0.174 0.000 0.989 350 N HN -0.131 8.125 8.380 -0.184 0.013 0.426 351 N N -2.153 116.254 118.700 -0.488 0.000 2.336 351 N HA 0.077 nan 4.740 nan 0.000 0.189 351 N C -0.064 175.138 175.510 -0.514 0.000 1.113 351 N CA 1.598 54.321 53.050 -0.545 0.000 0.858 351 N CB 1.130 39.052 38.487 -0.942 0.000 0.970 351 N HN -0.478 7.478 8.380 -0.552 0.093 0.471 352 T N -6.664 107.526 114.554 -0.606 0.000 3.132 352 T HA 0.372 nan 4.350 nan 0.000 0.274 352 T C 0.395 174.715 174.700 -0.633 0.000 1.011 352 T CA -1.171 60.558 62.100 -0.617 0.000 0.899 352 T CB 0.092 68.439 68.868 -0.868 0.000 1.089 352 T HN -0.625 7.188 8.240 -0.617 0.057 0.543 353 A N 1.450 123.965 122.820 -0.508 0.000 2.216 353 A HA -0.166 nan 4.320 nan 0.000 0.214 353 A C -0.326 177.121 177.584 -0.227 0.000 1.160 353 A CA 2.538 54.312 52.037 -0.439 0.000 0.725 353 A CB -0.163 18.806 19.000 -0.052 0.000 0.784 353 A HN -0.401 7.442 8.150 -0.403 0.065 0.472 354 D N -4.915 115.355 120.400 -0.218 0.000 2.336 354 D HA -0.074 nan 4.640 nan 0.000 0.228 354 D C -0.715 175.526 176.300 -0.097 0.000 1.120 354 D CA -0.563 53.386 54.000 -0.084 0.000 0.839 354 D CB -0.808 39.955 40.800 -0.061 0.000 0.932 354 D HN -0.212 7.932 8.370 -0.269 0.064 0.509 355 N N -0.422 118.129 118.700 -0.247 0.000 2.932 355 N HA 0.094 nan 4.740 nan 0.000 0.242 355 N C -1.547 173.786 175.510 -0.294 0.000 1.351 355 N CA 0.321 53.274 53.050 -0.162 0.000 0.785 355 N CB 1.034 39.443 38.487 -0.131 0.000 1.501 355 N HN -0.734 7.260 8.380 -0.491 0.091 0.584 356 W N 2.129 123.412 121.300 -0.028 0.000 3.447 356 W HA 0.098 nan 4.660 nan 0.000 0.348 356 W C -0.809 175.687 176.519 -0.039 0.000 1.220 356 W CA -1.021 56.303 57.345 -0.035 0.000 1.809 356 W CB -0.920 28.516 29.460 -0.040 0.000 1.040 356 W HN 0.037 8.356 8.180 0.232 0.000 0.735 357 A N -0.793 122.073 122.820 0.076 0.000 2.294 357 A HA 0.251 nan 4.320 nan 0.000 0.330 357 A C -2.042 175.558 177.584 0.026 0.000 1.133 357 A CA -1.012 51.058 52.037 0.055 0.000 0.836 357 A CB 2.238 21.277 19.000 0.064 0.000 1.190 357 A HN -0.771 7.466 8.150 0.026 -0.072 0.492 358 V N 0.090 120.008 119.914 0.008 0.000 2.333 358 V HA 0.225 nan 4.120 nan 0.000 0.274 358 V C -0.151 176.028 176.094 0.141 0.000 1.028 358 V CA -0.728 61.591 62.300 0.031 0.000 0.851 358 V CB -0.423 31.337 31.823 -0.105 0.000 1.000 358 V HN 0.236 8.428 8.190 0.004 0.000 0.456 359 T N 3.496 118.174 114.554 0.206 0.000 2.940 359 T HA 0.409 nan 4.350 nan 0.000 0.288 359 T C -0.135 174.736 174.700 0.285 0.000 1.033 359 T CA -2.016 60.211 62.100 0.211 0.000 1.033 359 T CB 3.279 72.245 68.868 0.163 0.000 1.079 359 T HN 0.358 8.632 8.240 0.236 0.108 0.496 360 N N -0.045 118.817 118.700 0.270 0.000 2.699 360 N HA -0.417 nan 4.740 nan 0.000 0.256 360 N C -1.114 174.622 175.510 0.377 0.000 0.993 360 N CA 0.946 54.177 53.050 0.301 0.000 0.759 360 N CB -0.837 37.822 38.487 0.286 0.000 0.906 360 N HN 0.279 8.793 8.380 0.223 0.000 0.541 361 W N -1.443 120.006 121.300 0.248 0.000 2.251 361 W HA -0.167 nan 4.660 nan 0.000 0.327 361 W C -1.115 175.595 176.519 0.318 0.000 1.361 361 W CA -0.684 56.830 57.345 0.282 0.000 1.234 361 W CB 0.408 29.973 29.460 0.176 0.000 1.212 361 W HN -0.600 7.874 8.180 0.490 0.000 0.557 362 W N 9.742 130.775 121.300 -0.445 0.000 3.129 362 W HA 0.123 nan 4.660 nan 0.000 0.333 362 W C -2.846 173.446 176.519 -0.378 0.000 1.141 362 W CA -0.541 56.675 57.345 -0.215 0.000 1.224 362 W CB 3.232 32.641 29.460 -0.086 0.000 1.393 362 W HN 0.271 8.107 8.180 -0.573 0.000 0.499 363 D N 3.175 122.918 120.400 -1.096 0.000 2.626 363 D HA 0.373 nan 4.640 nan 0.000 0.278 363 D C -1.349 174.123 176.300 -1.379 0.000 1.211 363 D CA -1.088 52.262 54.000 -1.083 0.000 0.903 363 D CB 2.610 43.257 40.800 -0.254 0.000 1.408 363 D HN -0.329 7.417 8.370 -1.039 0.000 0.454 364 N N -1.690 116.481 118.700 -0.881 0.000 2.273 364 N HA 0.066 nan 4.740 nan 0.000 0.231 364 N C 0.182 175.528 175.510 -0.273 0.000 1.134 364 N CA -0.875 51.863 53.050 -0.521 0.000 0.856 364 N CB 0.121 38.436 38.487 -0.286 0.000 1.068 364 N HN -0.090 7.896 8.380 -0.657 0.000 0.510 365 T N -5.168 109.239 114.554 -0.244 0.000 6.974 365 T HA -0.438 nan 4.350 nan 0.000 0.287 365 T C -1.387 173.227 174.700 -0.144 0.000 2.146 365 T CA 2.137 64.163 62.100 -0.123 0.000 3.451 365 T CB -1.845 66.981 68.868 -0.070 0.000 1.630 365 T HN 0.336 8.549 8.240 -0.314 -0.161 1.173 366 N N 1.065 119.643 118.700 -0.203 0.000 2.196 366 N HA 0.224 nan 4.740 nan 0.000 0.115 366 N C -1.011 174.312 175.510 -0.312 0.000 1.544 366 N CA 0.078 52.979 53.050 -0.249 0.000 1.134 366 N CB 1.786 40.162 38.487 -0.185 0.000 1.116 366 N HN -0.221 8.212 8.380 -0.221 -0.186 0.315 367 N N -0.205 118.326 118.700 -0.282 0.000 2.380 367 N HA 0.281 nan 4.740 nan 0.000 0.255 367 N C -1.905 173.449 175.510 -0.259 0.000 1.158 367 N CA -0.817 52.035 53.050 -0.331 0.000 0.878 367 N CB 0.383 38.649 38.487 -0.367 0.000 1.138 367 N HN -0.249 8.279 8.380 -0.225 -0.283 0.509 368 Q N -1.414 118.273 119.800 -0.189 0.000 2.309 368 Q HA 0.700 nan 4.340 nan 0.000 0.270 368 Q C -1.988 173.983 176.000 -0.048 0.000 1.023 368 Q CA -0.775 54.993 55.803 -0.058 0.000 0.758 368 Q CB 2.945 31.737 28.738 0.090 0.000 1.247 368 Q HN -0.583 7.765 8.270 -0.221 -0.211 0.455 369 I N -1.302 119.263 120.570 -0.008 0.000 3.042 369 I HA 1.037 nan 4.170 nan 0.000 0.310 369 I C -2.261 173.859 176.117 0.005 0.000 1.117 369 I CA -2.508 58.743 61.300 -0.081 0.000 1.003 369 I CB 3.970 41.833 38.000 -0.228 0.000 1.228 369 I HN 0.658 8.856 8.210 -0.021 0.000 0.443 370 S N -0.135 115.504 115.700 -0.101 0.000 2.548 370 S HA 0.719 nan 4.470 nan 0.000 0.278 370 S C -2.355 172.146 174.600 -0.165 0.000 1.150 370 S CA -0.059 58.069 58.200 -0.120 0.000 0.907 370 S CB 2.231 65.451 63.200 0.033 0.000 1.108 370 S HN 0.073 8.174 8.310 -0.347 0.000 0.459 371 F N 1.338 121.051 119.950 -0.396 0.000 2.713 371 F HA 0.932 nan 4.527 nan 0.000 0.311 371 F C -2.350 173.040 175.800 -0.683 0.000 1.141 371 F CA -1.666 56.127 58.000 -0.345 0.000 0.939 371 F CB 2.588 41.601 39.000 0.022 0.000 1.325 371 F HN 0.215 8.048 8.300 -0.779 0.000 0.453 372 G N -2.859 105.915 108.800 -0.042 0.000 2.644 372 G HA2 0.686 nan 3.960 nan 0.000 0.307 372 G HA3 0.686 nan 3.960 nan 0.000 0.307 372 G C -1.424 173.621 174.900 0.241 0.000 1.250 372 G CA -1.567 43.512 45.100 -0.035 0.000 0.996 372 G HN 0.627 9.061 8.290 0.240 0.000 0.489 373 R N -0.106 120.488 120.500 0.156 0.000 3.026 373 R HA 0.367 nan 4.340 nan 0.000 0.317 373 R C 0.099 176.410 176.300 0.018 0.000 1.278 373 R CA -3.231 52.910 56.100 0.068 0.000 1.407 373 R CB -0.688 29.585 30.300 -0.044 0.000 1.368 373 R HN 0.452 8.802 8.270 0.133 0.000 0.612 374 G N 2.913 111.754 108.800 0.068 0.000 2.547 374 G HA2 -0.413 nan 3.960 nan 0.000 0.271 374 G HA3 -0.413 nan 3.960 nan 0.000 0.271 374 G C -0.465 174.464 174.900 0.049 0.000 1.209 374 G CA 0.812 45.943 45.100 0.052 0.000 0.959 374 G HN 0.030 8.337 8.290 0.108 0.048 0.563 375 S N 2.174 117.888 115.700 0.023 0.000 2.593 375 S HA -0.005 nan 4.470 nan 0.000 0.217 375 S C 0.516 175.117 174.600 0.001 0.000 0.966 375 S CA 1.865 60.076 58.200 0.019 0.000 0.914 375 S CB -0.610 62.604 63.200 0.022 0.000 0.776 375 S HN 0.218 8.536 8.310 0.013 0.000 0.523 376 S N 1.090 116.770 115.700 -0.033 0.000 2.446 376 S HA 0.027 nan 4.470 nan 0.000 0.225 376 S C -0.784 173.769 174.600 -0.078 0.000 1.016 376 S CA 2.242 60.396 58.200 -0.077 0.000 0.943 376 S CB 1.075 64.173 63.200 -0.171 0.000 0.786 376 S HN -0.671 7.539 8.310 -0.036 0.079 0.508 377 G N -3.745 105.035 108.800 -0.035 0.000 2.466 377 G HA2 0.299 nan 3.960 nan 0.000 0.291 377 G HA3 0.299 nan 3.960 nan 0.000 0.291 377 G C -3.450 171.583 174.900 0.221 0.000 1.460 377 G CA 0.334 45.480 45.100 0.077 0.000 0.791 377 G HN -1.011 7.274 8.290 -0.008 0.000 0.505 378 H N -0.261 118.899 119.070 0.151 0.000 3.016 378 H HA 0.965 nan 4.556 nan 0.000 0.362 378 H C -2.295 172.925 175.328 -0.180 0.000 1.233 378 H CA -0.933 55.104 56.048 -0.019 0.000 1.124 378 H CB 4.348 34.043 29.762 -0.111 0.000 1.850 378 H HN 0.299 8.773 8.280 0.323 0.000 0.549 379 M N -0.944 118.366 119.600 -0.484 0.000 2.721 379 M HA 0.797 nan 4.480 nan 0.000 0.271 379 M C -2.531 173.523 176.300 -0.411 0.000 1.259 379 M CA -1.639 53.352 55.300 -0.514 0.000 0.835 379 M CB 5.088 37.157 32.600 -0.886 0.000 1.689 379 M HN 0.525 8.276 8.290 -0.899 0.000 0.470 380 A N -2.391 120.260 122.820 -0.282 0.000 2.566 380 A HA 0.815 nan 4.320 nan 0.000 0.297 380 A C -2.777 174.743 177.584 -0.106 0.000 1.059 380 A CA -0.075 51.861 52.037 -0.169 0.000 0.691 380 A CB 3.223 22.161 19.000 -0.103 0.000 1.282 380 A HN 0.538 8.527 8.150 -0.268 0.000 0.401 381 I N 0.456 120.992 120.570 -0.056 0.000 2.545 381 I HA 0.478 nan 4.170 nan 0.000 0.292 381 I C -2.285 173.808 176.117 -0.041 0.000 1.040 381 I CA -1.169 60.118 61.300 -0.021 0.000 1.068 381 I CB 3.812 41.825 38.000 0.021 0.000 1.251 381 I HN 0.609 8.678 8.210 -0.054 0.109 0.424 382 N N 6.671 125.343 118.700 -0.048 0.000 2.626 382 N HA 0.266 nan 4.740 nan 0.000 0.242 382 N C -1.563 173.827 175.510 -0.200 0.000 1.005 382 N CA -0.901 52.105 53.050 -0.072 0.000 0.905 382 N CB 0.837 39.320 38.487 -0.007 0.000 1.128 382 N HN 0.422 8.790 8.380 -0.021 0.000 0.512 383 K N 5.493 125.685 120.400 -0.345 0.000 2.827 383 K HA 0.100 nan 4.320 nan 0.000 0.222 383 K C -1.119 175.138 176.600 -0.571 0.000 1.114 383 K CA -1.163 54.698 56.287 -0.710 0.000 1.206 383 K CB 0.035 32.096 32.500 -0.733 0.000 1.035 383 K HN 0.167 8.245 8.250 -0.287 0.000 0.464 384 E N -1.266 118.793 120.200 -0.234 0.000 2.359 384 E HA 0.123 nan 4.350 nan 0.000 0.266 384 E C -1.030 175.695 176.600 0.210 0.000 0.920 384 E CA -1.333 55.072 56.400 0.008 0.000 0.788 384 E CB 3.076 32.765 29.700 -0.018 0.000 1.279 384 E HN -0.596 7.769 8.360 -0.178 -0.112 0.438 385 D N -0.767 119.766 120.400 0.221 0.000 2.352 385 D HA -0.036 nan 4.640 nan 0.000 0.232 385 D C -0.822 175.546 176.300 0.113 0.000 1.055 385 D CA 1.310 55.425 54.000 0.191 0.000 0.891 385 D CB -0.047 40.830 40.800 0.128 0.000 0.897 385 D HN 0.364 8.836 8.370 0.171 0.000 0.529 386 S N -1.303 114.452 115.700 0.092 0.000 2.542 386 S HA 0.131 nan 4.470 nan 0.000 0.293 386 S C -0.424 174.210 174.600 0.058 0.000 1.089 386 S CA -0.902 57.335 58.200 0.062 0.000 0.961 386 S CB 2.630 65.857 63.200 0.046 0.000 1.062 386 S HN -0.633 7.650 8.310 0.094 0.083 0.483 387 T N 1.562 116.144 114.554 0.046 0.000 2.933 387 T HA -0.085 nan 4.350 nan 0.000 0.306 387 T C -0.092 174.626 174.700 0.030 0.000 1.045 387 T CA 1.614 63.735 62.100 0.036 0.000 1.143 387 T CB 0.231 69.113 68.868 0.023 0.000 1.003 387 T HN 0.197 8.462 8.240 0.041 0.000 0.540 388 L N 7.104 128.340 121.223 0.022 0.000 2.260 388 L HA 0.308 nan 4.340 nan 0.000 0.289 388 L C -0.471 176.382 176.870 -0.029 0.000 1.057 388 L CA -0.949 53.900 54.840 0.015 0.000 0.811 388 L CB 1.473 43.540 42.059 0.014 0.000 1.184 388 L HN 0.489 8.731 8.230 0.019 0.000 0.429 389 T N 2.296 116.830 114.554 -0.033 0.000 3.091 389 T HA 0.184 nan 4.350 nan 0.000 0.277 389 T C -0.566 174.068 174.700 -0.109 0.000 0.996 389 T CA -1.584 60.478 62.100 -0.063 0.000 0.897 389 T CB -0.297 68.552 68.868 -0.032 0.000 1.109 389 T HN 0.295 8.535 8.240 -0.001 0.000 0.534 390 A N 1.901 124.624 122.820 -0.162 0.000 2.536 390 A HA -0.036 nan 4.320 nan 0.000 0.234 390 A C -0.644 176.731 177.584 -0.349 0.000 1.076 390 A CA 0.258 52.135 52.037 -0.267 0.000 0.769 390 A CB 0.626 19.315 19.000 -0.517 0.000 1.020 390 A HN -0.294 7.775 8.150 -0.135 0.000 0.508 391 T N 1.360 115.726 114.554 -0.314 0.000 2.756 391 T HA 0.399 nan 4.350 nan 0.000 0.290 391 T C -0.732 173.742 174.700 -0.376 0.000 0.985 391 T CA -0.201 61.732 62.100 -0.278 0.000 0.955 391 T CB 0.389 69.163 68.868 -0.156 0.000 0.930 391 T HN -0.229 7.864 8.240 -0.246 0.000 0.451 392 V N 3.221 122.894 119.914 -0.402 0.000 2.769 392 V HA 0.554 nan 4.120 nan 0.000 0.312 392 V C -1.689 174.259 176.094 -0.242 0.000 1.058 392 V CA -3.211 58.861 62.300 -0.380 0.000 0.952 392 V CB 2.912 34.478 31.823 -0.429 0.000 1.019 392 V HN 0.383 8.355 8.190 -0.364 0.000 0.445 393 Q N 2.697 122.419 119.800 -0.130 0.000 2.243 393 Q HA 0.468 nan 4.340 nan 0.000 0.252 393 Q C -0.514 175.429 176.000 -0.094 0.000 0.909 393 Q CA -0.622 55.131 55.803 -0.083 0.000 0.922 393 Q CB 1.614 30.356 28.738 0.007 0.000 1.215 393 Q HN 0.271 8.499 8.270 -0.070 0.000 0.427 394 T N 1.362 115.823 114.554 -0.154 0.000 2.907 394 T HA 0.387 nan 4.350 nan 0.000 0.290 394 T C -0.981 173.709 174.700 -0.017 0.000 1.066 394 T CA -2.098 59.919 62.100 -0.140 0.000 1.012 394 T CB 3.023 71.637 68.868 -0.425 0.000 1.184 394 T HN -0.005 8.151 8.240 -0.141 0.000 0.522 395 D N 0.503 120.930 120.400 0.045 0.000 2.463 395 D HA 0.320 nan 4.640 nan 0.000 0.224 395 D C -0.508 175.803 176.300 0.018 0.000 1.174 395 D CA 0.532 54.555 54.000 0.039 0.000 0.829 395 D CB 0.161 40.999 40.800 0.064 0.000 0.993 395 D HN 0.373 8.806 8.370 0.105 0.000 0.497 396 M N 0.311 119.900 119.600 -0.018 0.000 2.359 396 M HA 0.031 nan 4.480 nan 0.000 0.322 396 M C -0.496 175.820 176.300 0.026 0.000 1.166 396 M CA -0.097 55.191 55.300 -0.019 0.000 1.067 396 M CB 1.892 34.414 32.600 -0.130 0.000 1.523 396 M HN -0.616 7.555 8.290 -0.050 0.089 0.467 397 A N 2.152 125.029 122.820 0.095 0.000 2.425 397 A HA 0.169 nan 4.320 nan 0.000 0.249 397 A C 0.227 177.907 177.584 0.159 0.000 1.084 397 A CA -0.163 51.941 52.037 0.111 0.000 0.781 397 A CB 0.502 19.570 19.000 0.114 0.000 1.019 397 A HN 0.476 8.697 8.150 0.118 0.000 0.490 398 S N 1.382 117.136 115.700 0.089 0.000 2.568 398 S HA 0.132 nan 4.470 nan 0.000 0.282 398 S C 0.344 174.992 174.600 0.080 0.000 1.338 398 S CA 0.588 58.838 58.200 0.084 0.000 1.045 398 S CB 0.364 63.583 63.200 0.031 0.000 0.873 398 S HN 0.242 8.585 8.310 0.055 0.000 0.516 399 G N 1.203 110.053 108.800 0.083 0.000 2.362 399 G HA2 -0.030 nan 3.960 nan 0.000 0.288 399 G HA3 -0.030 nan 3.960 nan 0.000 0.288 399 G C -3.269 171.619 174.900 -0.020 0.000 1.305 399 G CA -0.040 45.037 45.100 -0.039 0.000 0.910 399 G HN 0.035 8.390 8.290 0.108 0.000 0.518 400 Q N -0.128 119.571 119.800 -0.168 0.000 2.309 400 Q HA 0.921 nan 4.340 nan 0.000 0.264 400 Q C -1.224 174.634 176.000 -0.237 0.000 1.008 400 Q CA -1.253 54.504 55.803 -0.076 0.000 0.853 400 Q CB 3.487 32.189 28.738 -0.061 0.000 1.314 400 Q HN 0.258 8.387 8.270 -0.235 0.000 0.448 401 Y N -0.971 119.291 120.300 -0.063 0.000 2.545 401 Y HA 0.565 nan 4.550 nan 0.000 0.348 401 Y C -1.189 174.659 175.900 -0.087 0.000 1.002 401 Y CA -1.821 56.231 58.100 -0.081 0.000 1.039 401 Y CB 4.496 42.905 38.460 -0.086 0.000 1.271 401 Y HN 0.714 9.126 8.280 0.220 0.000 0.467 402 c N 1.456 120.083 118.600 0.046 0.000 2.527 402 c HA 0.205 nan 4.570 nan 0.000 0.396 402 c C -0.361 173.714 174.090 -0.024 0.000 1.289 402 c CA -0.187 56.135 56.329 -0.011 0.000 2.047 402 c CB -0.447 42.038 42.510 -0.042 0.000 2.568 402 c HN 0.365 8.610 8.230 0.025 0.000 0.573 403 N N 3.309 121.987 118.700 -0.037 0.000 2.415 403 N HA 0.019 nan 4.740 nan 0.000 0.250 403 N C 1.543 177.007 175.510 -0.077 0.000 1.127 403 N CA -0.440 52.572 53.050 -0.065 0.000 0.945 403 N CB 0.122 38.563 38.487 -0.076 0.000 1.196 403 N HN -0.109 8.251 8.380 -0.032 0.000 0.499 404 V N 1.098 120.977 119.914 -0.058 0.000 3.241 404 V HA -0.045 nan 4.120 nan 0.000 0.269 404 V C 0.049 176.102 176.094 -0.068 0.000 1.151 404 V CA 1.596 63.881 62.300 -0.025 0.000 1.158 404 V CB -0.956 30.911 31.823 0.073 0.000 0.764 404 V HN 0.164 8.327 8.190 -0.045 0.000 0.508 405 L N -2.307 118.808 121.223 -0.180 0.000 2.418 405 L HA 0.021 nan 4.340 nan 0.000 0.218 405 L C 1.118 177.727 176.870 -0.435 0.000 1.125 405 L CA 1.236 55.841 54.840 -0.392 0.000 0.835 405 L CB -0.320 41.376 42.059 -0.606 0.000 0.953 405 L HN -0.686 7.574 8.230 -0.173 -0.134 0.454 406 K N -4.506 115.752 120.400 -0.236 0.000 2.440 406 K HA 0.124 nan 4.320 nan 0.000 0.207 406 K C -0.306 176.262 176.600 -0.053 0.000 1.112 406 K CA -0.165 56.040 56.287 -0.136 0.000 1.036 406 K CB 2.687 35.124 32.500 -0.106 0.000 0.935 406 K HN -0.383 7.601 8.250 -0.176 0.160 0.564 407 G N -1.271 107.505 108.800 -0.041 0.000 2.342 407 G HA2 0.134 nan 3.960 nan 0.000 0.297 407 G HA3 0.134 nan 3.960 nan 0.000 0.297 407 G C -2.498 172.400 174.900 -0.004 0.000 1.313 407 G CA 0.501 45.594 45.100 -0.011 0.000 0.830 407 G HN -0.841 7.415 8.290 -0.057 0.000 0.506 408 E N -2.106 118.097 120.200 0.005 0.000 2.410 408 E HA 0.248 nan 4.350 nan 0.000 0.269 408 E C -1.543 175.056 176.600 -0.003 0.000 0.937 408 E CA -2.021 54.384 56.400 0.008 0.000 0.793 408 E CB 2.889 32.606 29.700 0.028 0.000 1.314 408 E HN 0.452 8.816 8.360 0.007 0.000 0.447 409 L N -0.759 120.460 121.223 -0.007 0.000 2.426 409 L HA 0.002 nan 4.340 nan 0.000 0.271 409 L C 0.069 176.935 176.870 -0.006 0.000 1.169 409 L CA -0.095 54.735 54.840 -0.017 0.000 0.836 409 L CB 0.890 42.935 42.059 -0.022 0.000 1.112 409 L HN 0.095 8.325 8.230 -0.000 0.000 0.465 410 S N 4.433 120.127 115.700 -0.011 0.000 2.624 410 S HA 0.112 nan 4.470 nan 0.000 0.263 410 S C 0.847 175.444 174.600 -0.005 0.000 1.287 410 S CA -0.642 57.555 58.200 -0.006 0.000 0.990 410 S CB 1.296 64.490 63.200 -0.009 0.000 0.950 410 S HN 0.056 8.354 8.310 -0.019 0.000 0.561 411 A N 2.881 125.701 122.820 -0.001 0.000 1.902 411 A HA -0.217 nan 4.320 nan 0.000 0.217 411 A C 0.786 178.366 177.584 -0.006 0.000 1.181 411 A CA 2.472 54.509 52.037 -0.001 0.000 0.623 411 A CB -0.821 18.180 19.000 0.002 0.000 0.818 411 A HN 0.528 8.678 8.150 0.001 0.000 0.443 412 D N -5.074 115.320 120.400 -0.009 0.000 2.312 412 D HA -0.178 nan 4.640 nan 0.000 0.211 412 D C 0.114 176.402 176.300 -0.020 0.000 0.964 412 D CA -0.156 53.836 54.000 -0.013 0.000 0.877 412 D CB -0.557 40.236 40.800 -0.012 0.000 0.924 412 D HN -0.217 8.149 8.370 -0.007 0.000 0.515 413 A N -1.971 120.836 122.820 -0.022 0.000 2.887 413 A HA -0.397 nan 4.320 nan 0.000 0.257 413 A C 0.018 177.576 177.584 -0.043 0.000 1.372 413 A CA 1.186 53.202 52.037 -0.034 0.000 0.879 413 A CB -1.397 17.581 19.000 -0.037 0.000 1.082 413 A HN -0.210 7.750 8.150 -0.018 0.179 0.703 414 K N -2.164 118.215 120.400 -0.035 0.000 2.352 414 K HA 0.023 nan 4.320 nan 0.000 0.194 414 K C -0.270 176.307 176.600 -0.037 0.000 1.038 414 K CA 0.492 56.757 56.287 -0.037 0.000 1.023 414 K CB 0.794 33.278 32.500 -0.028 0.000 0.840 414 K HN -0.188 8.204 8.250 -0.027 -0.158 0.519 415 S N -3.516 112.165 115.700 -0.033 0.000 2.705 415 S HA 0.202 nan 4.470 nan 0.000 0.280 415 S C -2.101 172.482 174.600 -0.028 0.000 1.174 415 S CA -1.327 56.855 58.200 -0.029 0.000 0.823 415 S CB 3.128 66.316 63.200 -0.020 0.000 1.162 415 S HN -0.561 7.731 8.310 -0.030 0.000 0.487 416 c N -0.804 117.782 118.600 -0.023 0.000 2.889 416 c HA 0.604 nan 4.570 nan 0.000 0.307 416 c C 0.392 174.474 174.090 -0.012 0.000 1.251 416 c CA -1.119 55.198 56.329 -0.020 0.000 1.593 416 c CB 3.882 46.377 42.510 -0.024 0.000 2.104 416 c HN 0.346 8.563 8.230 -0.022 0.000 0.476 417 S N 0.208 115.904 115.700 -0.007 0.000 2.593 417 S HA -0.019 nan 4.470 nan 0.000 0.217 417 S C -0.178 174.419 174.600 -0.004 0.000 0.966 417 S CA 1.006 59.205 58.200 -0.002 0.000 0.914 417 S CB 0.171 63.375 63.200 0.007 0.000 0.776 417 S HN 0.511 8.817 8.310 -0.007 0.000 0.523 418 G N 1.342 110.136 108.800 -0.011 0.000 2.947 418 G HA2 0.048 nan 3.960 nan 0.000 0.293 418 G HA3 0.048 nan 3.960 nan 0.000 0.293 418 G C -2.219 172.671 174.900 -0.017 0.000 1.243 418 G CA -0.865 44.227 45.100 -0.014 0.000 0.802 418 G HN -0.876 7.335 8.290 -0.014 0.071 0.560 419 E N -1.285 118.903 120.200 -0.020 0.000 2.502 419 E HA -0.117 nan 4.350 nan 0.000 0.261 419 E C -0.499 176.089 176.600 -0.021 0.000 0.974 419 E CA 0.355 56.743 56.400 -0.020 0.000 0.936 419 E CB 1.066 30.752 29.700 -0.022 0.000 0.926 419 E HN 0.017 8.363 8.360 -0.022 0.000 0.459 420 V N 6.319 126.224 119.914 -0.015 0.000 2.513 420 V HA 0.574 nan 4.120 nan 0.000 0.299 420 V C -0.461 175.632 176.094 -0.003 0.000 1.035 420 V CA -1.335 60.961 62.300 -0.007 0.000 0.889 420 V CB 1.599 33.415 31.823 -0.012 0.000 0.988 420 V HN 0.096 8.278 8.190 -0.015 0.000 0.440 421 I N 6.357 126.938 120.570 0.018 0.000 2.433 421 I HA 0.320 nan 4.170 nan 0.000 0.292 421 I C -0.899 175.249 176.117 0.051 0.000 1.001 421 I CA -1.637 59.670 61.300 0.010 0.000 1.119 421 I CB 2.298 40.290 38.000 -0.013 0.000 1.289 421 I HN 0.988 9.223 8.210 0.042 0.000 0.438 422 T N 7.292 121.856 114.554 0.016 0.000 2.767 422 T HA 0.399 nan 4.350 nan 0.000 0.284 422 T C -0.704 174.004 174.700 0.014 0.000 0.973 422 T CA -0.683 61.436 62.100 0.033 0.000 0.996 422 T CB 0.841 69.710 68.868 0.001 0.000 0.927 422 T HN 0.265 8.497 8.240 -0.014 0.000 0.456 423 V N 7.588 127.542 119.914 0.067 0.000 2.350 423 V HA 0.241 nan 4.120 nan 0.000 0.276 423 V C -0.379 175.722 176.094 0.011 0.000 1.028 423 V CA -1.127 61.180 62.300 0.011 0.000 0.860 423 V CB 0.282 32.128 31.823 0.039 0.000 0.990 423 V HN 0.749 9.027 8.190 0.146 0.000 0.453 424 N N 9.446 128.129 118.700 -0.027 0.000 2.326 424 N HA 0.037 nan 4.740 nan 0.000 0.239 424 N C 1.262 176.763 175.510 -0.014 0.000 1.301 424 N CA 0.123 53.159 53.050 -0.023 0.000 0.909 424 N CB 0.700 39.164 38.487 -0.038 0.000 1.156 424 N HN 0.515 8.862 8.380 -0.055 0.000 0.462 425 S N -0.176 115.517 115.700 -0.012 0.000 2.442 425 S HA -0.255 nan 4.470 nan 0.000 0.236 425 S C 0.002 174.597 174.600 -0.009 0.000 1.007 425 S CA 2.981 61.178 58.200 -0.007 0.000 0.965 425 S CB -0.336 62.860 63.200 -0.007 0.000 0.773 425 S HN 0.496 8.798 8.310 -0.014 0.000 0.504 426 D N -2.159 118.231 120.400 -0.016 0.000 2.340 426 D HA 0.015 nan 4.640 nan 0.000 0.220 426 D C 0.968 177.253 176.300 -0.025 0.000 1.039 426 D CA -0.575 53.415 54.000 -0.017 0.000 0.866 426 D CB -0.572 40.216 40.800 -0.019 0.000 0.913 426 D HN -0.247 8.071 8.370 -0.021 0.039 0.523 427 G N -0.915 107.866 108.800 -0.032 0.000 2.157 427 G HA2 -0.363 nan 3.960 nan 0.000 0.248 427 G HA3 -0.363 nan 3.960 nan 0.000 0.248 427 G C -0.743 174.099 174.900 -0.098 0.000 0.979 427 G CA 0.233 45.302 45.100 -0.051 0.000 0.650 427 G HN -0.059 8.018 8.290 -0.026 0.197 0.529 428 T N -2.840 111.655 114.554 -0.098 0.000 2.881 428 T HA 0.756 nan 4.350 nan 0.000 0.278 428 T C -1.414 173.190 174.700 -0.161 0.000 0.982 428 T CA -1.946 60.069 62.100 -0.141 0.000 0.989 428 T CB 2.037 70.837 68.868 -0.113 0.000 1.058 428 T HN -0.530 7.887 8.240 -0.072 -0.220 0.529 429 I N -0.534 119.911 120.570 -0.208 0.000 2.533 429 I HA 0.330 nan 4.170 nan 0.000 0.290 429 I C -1.769 174.235 176.117 -0.188 0.000 1.056 429 I CA -0.605 60.578 61.300 -0.196 0.000 1.057 429 I CB 3.359 41.209 38.000 -0.250 0.000 1.240 429 I HN 0.195 8.262 8.210 -0.239 0.000 0.423 430 N N 7.171 125.786 118.700 -0.141 0.000 2.558 430 N HA 0.280 nan 4.740 nan 0.000 0.233 430 N C 0.071 175.503 175.510 -0.130 0.000 1.038 430 N CA -0.260 52.712 53.050 -0.131 0.000 0.934 430 N CB 0.025 38.459 38.487 -0.089 0.000 1.175 430 N HN 0.416 8.726 8.380 -0.116 0.000 0.512 431 L N 2.559 123.680 121.223 -0.169 0.000 2.483 431 L HA -0.118 nan 4.340 nan 0.000 0.276 431 L C 0.094 176.905 176.870 -0.098 0.000 1.213 431 L CA 0.799 55.550 54.840 -0.148 0.000 0.843 431 L CB 0.551 42.490 42.059 -0.200 0.000 1.107 431 L HN -0.065 8.034 8.230 -0.218 0.000 0.487 432 N N 2.020 120.678 118.700 -0.070 0.000 2.722 432 N HA 0.166 nan 4.740 nan 0.000 0.242 432 N C -1.679 173.816 175.510 -0.025 0.000 1.398 432 N CA -0.164 52.861 53.050 -0.041 0.000 0.755 432 N CB 0.462 38.929 38.487 -0.034 0.000 1.268 432 N HN -0.007 8.330 8.380 -0.072 0.000 0.522 433 I N 3.892 124.450 120.570 -0.019 0.000 2.389 433 I HA 0.237 nan 4.170 nan 0.000 0.288 433 I C -0.631 175.503 176.117 0.028 0.000 0.999 433 I CA -1.215 60.087 61.300 0.003 0.000 1.129 433 I CB 2.667 40.663 38.000 -0.007 0.000 1.288 433 I HN 0.020 8.214 8.210 -0.027 0.000 0.444 434 G N 4.762 113.590 108.800 0.046 0.000 2.716 434 G HA2 -0.059 nan 3.960 nan 0.000 0.251 434 G HA3 -0.059 nan 3.960 nan 0.000 0.251 434 G C -1.538 173.421 174.900 0.098 0.000 1.224 434 G CA -0.786 44.353 45.100 0.064 0.000 0.891 434 G HN 0.303 8.619 8.290 0.044 0.000 0.561 435 A N -0.477 122.420 122.820 0.127 0.000 2.477 435 A HA -0.200 nan 4.320 nan 0.000 0.246 435 A C -0.314 177.476 177.584 0.343 0.000 1.078 435 A CA 0.127 52.296 52.037 0.221 0.000 0.770 435 A CB 0.100 19.237 19.000 0.229 0.000 1.011 435 A HN 0.060 8.272 8.150 0.104 0.000 0.494 436 W N -0.612 120.700 121.300 0.019 0.000 5.963 436 W HA -0.468 nan 4.660 nan 0.000 0.400 436 W C -1.954 174.587 176.519 0.037 0.000 1.530 436 W CA 1.403 58.763 57.345 0.025 0.000 1.004 436 W CB -1.950 27.516 29.460 0.009 0.000 2.706 436 W HN 0.122 8.434 8.180 0.219 0.000 1.495 437 D N -2.468 118.033 120.400 0.168 0.000 2.732 437 D HA 0.517 nan 4.640 nan 0.000 0.292 437 D C -2.680 173.715 176.300 0.158 0.000 1.135 437 D CA -1.865 52.251 54.000 0.192 0.000 1.071 437 D CB 4.188 45.092 40.800 0.173 0.000 1.457 437 D HN -0.731 7.706 8.370 0.111 0.000 0.547 438 A N -2.693 120.241 122.820 0.190 0.000 2.564 438 A HA 0.790 nan 4.320 nan 0.000 0.291 438 A C -2.290 175.291 177.584 -0.004 0.000 1.102 438 A CA 0.043 52.129 52.037 0.081 0.000 0.660 438 A CB 3.100 22.165 19.000 0.108 0.000 1.283 438 A HN -0.167 8.139 8.150 0.260 0.000 0.430 439 M N -4.818 114.733 119.600 -0.082 0.000 2.569 439 M HA 0.591 nan 4.480 nan 0.000 0.279 439 M C -2.372 173.805 176.300 -0.206 0.000 1.253 439 M CA -1.378 53.845 55.300 -0.129 0.000 0.867 439 M CB 4.265 36.807 32.600 -0.096 0.000 1.727 439 M HN 0.613 8.845 8.290 -0.096 0.000 0.467 440 A N -0.542 122.158 122.820 -0.200 0.000 2.488 440 A HA 0.985 nan 4.320 nan 0.000 0.295 440 A C -2.706 174.851 177.584 -0.045 0.000 1.045 440 A CA -0.173 51.708 52.037 -0.261 0.000 0.703 440 A CB 2.435 21.189 19.000 -0.410 0.000 1.271 440 A HN 0.396 8.726 8.150 -0.152 -0.271 0.400 441 I N -2.543 118.061 120.570 0.057 0.000 2.828 441 I HA 0.889 nan 4.170 nan 0.000 0.302 441 I C -2.557 173.655 176.117 0.158 0.000 1.101 441 I CA -1.859 59.455 61.300 0.022 0.000 1.031 441 I CB 3.169 41.085 38.000 -0.141 0.000 1.231 441 I HN 0.835 9.089 8.210 0.073 0.000 0.427 442 H N -0.493 118.638 119.070 0.102 0.000 2.985 442 H HA 0.507 nan 4.556 nan 0.000 0.360 442 H C 0.236 175.636 175.328 0.121 0.000 1.221 442 H CA -1.356 54.701 56.048 0.015 0.000 1.121 442 H CB 3.149 32.840 29.762 -0.118 0.000 1.854 442 H HN 0.223 8.336 8.280 -0.279 0.000 0.551 443 K N -1.639 118.922 120.400 0.268 0.000 2.281 443 K HA -0.370 nan 4.320 nan 0.000 0.203 443 K C 0.869 177.609 176.600 0.233 0.000 1.046 443 K CA 2.859 59.306 56.287 0.268 0.000 0.938 443 K CB -0.332 32.250 32.500 0.137 0.000 0.737 443 K HN 0.286 8.646 8.250 0.183 0.000 0.458 444 N N -1.813 117.095 118.700 0.347 0.000 2.279 444 N HA 0.077 nan 4.740 nan 0.000 0.226 444 N C -0.950 174.644 175.510 0.140 0.000 1.126 444 N CA -0.102 53.081 53.050 0.221 0.000 0.846 444 N CB -0.012 38.587 38.487 0.186 0.000 1.050 444 N HN -0.656 8.104 8.380 0.708 0.044 0.502 445 A N -1.591 121.219 122.820 -0.015 0.000 3.045 445 A HA 0.229 nan 4.320 nan 0.000 0.244 445 A C -2.322 175.202 177.584 -0.101 0.000 0.917 445 A CA -0.243 51.722 52.037 -0.119 0.000 1.075 445 A CB 1.043 19.833 19.000 -0.349 0.000 1.202 445 A HN -0.564 7.529 8.150 0.036 0.079 0.486 446 K N -0.154 120.148 120.400 -0.163 0.000 2.182 446 K HA 0.572 nan 4.320 nan 0.000 0.262 446 K C -0.883 175.551 176.600 -0.277 0.000 0.957 446 K CA -2.069 53.959 56.287 -0.433 0.000 0.842 446 K CB 1.820 33.990 32.500 -0.550 0.000 1.099 446 K HN -0.219 7.971 8.250 -0.100 0.000 0.438 447 L N 5.170 126.224 121.223 -0.281 0.000 2.483 447 L HA 0.098 nan 4.340 nan 0.000 0.275 447 L C 0.547 177.332 176.870 -0.141 0.000 1.220 447 L CA 0.739 55.477 54.840 -0.170 0.000 0.833 447 L CB -0.573 41.402 42.059 -0.140 0.000 1.102 447 L HN 0.366 8.374 8.230 -0.370 0.000 0.490 448 N N 0.000 118.643 118.700 -0.094 0.000 1.763 448 N HA 0.000 nan 4.740 nan 0.000 0.220 448 N CA 0.000 53.008 53.050 -0.070 0.000 0.885 448 N CB 0.000 38.453 38.487 -0.057 0.000 1.341 448 N HN 0.000 8.329 8.380 -0.084 0.000 0.667