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 1cca_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPWGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.666 176.870 -0.340 0.000 1.165 4 L CA 0.000 54.701 54.840 -0.232 0.000 0.813 4 L CB 0.000 41.886 42.059 -0.288 0.000 0.961 5 V N 1.603 121.290 119.914 -0.378 0.000 2.628 5 V HA 0.321 nan 4.120 nan 0.000 0.306 5 V C -1.300 174.472 176.094 -0.537 0.000 1.045 5 V CA -1.383 60.697 62.300 -0.367 0.000 0.905 5 V CB 1.939 33.645 31.823 -0.196 0.000 0.997 5 V HN 0.017 8.027 8.190 -0.301 0.000 0.436 6 H N 4.742 123.602 119.070 -0.350 0.000 2.887 6 H HA 0.265 nan 4.556 nan 0.000 0.300 6 H C -1.321 173.645 175.328 -0.604 0.000 1.038 6 H CA -1.074 54.546 56.048 -0.713 0.000 1.352 6 H CB 1.145 30.108 29.762 -1.331 0.000 1.473 6 H HN 0.409 8.473 8.280 -0.359 0.000 0.503 7 V N 3.890 123.683 119.914 -0.202 0.000 2.465 7 V HA 0.240 nan 4.120 nan 0.000 0.279 7 V C -0.721 175.381 176.094 0.012 0.000 1.045 7 V CA -1.140 61.089 62.300 -0.118 0.000 0.938 7 V CB 0.156 31.951 31.823 -0.047 0.000 0.986 7 V HN 0.508 8.634 8.190 -0.107 0.000 0.467 8 A N 8.289 131.039 122.820 -0.118 0.000 2.488 8 A HA -0.014 nan 4.320 nan 0.000 0.249 8 A C -1.465 176.161 177.584 0.069 0.000 1.083 8 A CA 0.528 52.554 52.037 -0.019 0.000 0.768 8 A CB 0.491 19.362 19.000 -0.215 0.000 1.017 8 A HN 0.588 8.553 8.150 -0.308 0.000 0.496 9 S N 3.878 119.641 115.700 0.105 0.000 2.733 9 S HA 0.075 nan 4.470 nan 0.000 0.307 9 S C -0.682 173.991 174.600 0.121 0.000 1.127 9 S CA -1.024 57.237 58.200 0.102 0.000 1.097 9 S CB 1.322 64.583 63.200 0.103 0.000 1.003 9 S HN -0.032 8.273 8.310 0.113 0.073 0.477 10 V N 6.684 126.680 119.914 0.136 0.000 2.644 10 V HA -0.149 nan 4.120 nan 0.000 0.305 10 V C 0.444 176.665 176.094 0.213 0.000 1.053 10 V CA 0.495 62.914 62.300 0.199 0.000 1.186 10 V CB 0.147 32.089 31.823 0.199 0.000 0.895 10 V HN 0.179 8.440 8.190 0.118 0.000 0.490 11 E N 6.265 126.649 120.200 0.306 0.000 2.585 11 E HA -0.204 nan 4.350 nan 0.000 0.252 11 E C -0.257 176.433 176.600 0.150 0.000 0.981 11 E CA 0.709 57.272 56.400 0.271 0.000 0.943 11 E CB 0.400 30.363 29.700 0.438 0.000 0.923 11 E HN 0.297 8.903 8.360 0.410 0.000 0.486 12 K N 6.663 127.124 120.400 0.101 0.000 2.437 12 K HA -0.351 nan 4.320 nan 0.000 0.277 12 K C 0.505 177.092 176.600 -0.021 0.000 1.073 12 K CA 1.517 57.832 56.287 0.047 0.000 1.105 12 K CB -0.254 32.273 32.500 0.045 0.000 0.881 12 K HN 0.561 8.882 8.250 0.118 0.000 0.475 13 G N 3.794 112.584 108.800 -0.017 0.000 2.175 13 G HA2 -0.309 nan 3.960 nan 0.000 0.244 13 G HA3 -0.309 nan 3.960 nan 0.000 0.244 13 G C -0.121 174.708 174.900 -0.119 0.000 0.982 13 G CA -0.160 44.903 45.100 -0.061 0.000 0.641 13 G HN 0.244 8.549 8.290 0.025 0.000 0.527 14 R N 0.583 121.005 120.500 -0.130 0.000 2.404 14 R HA 0.280 nan 4.340 nan 0.000 0.291 14 R C -0.583 175.738 176.300 0.035 0.000 1.025 14 R CA -1.364 54.594 56.100 -0.238 0.000 0.991 14 R CB 0.786 30.787 30.300 -0.498 0.000 1.053 14 R HN -0.400 7.780 8.270 -0.053 0.058 0.479 15 S N 3.499 119.204 115.700 0.008 0.000 2.806 15 S HA 0.439 nan 4.470 nan 0.000 0.315 15 S C 0.056 174.773 174.600 0.195 0.000 1.127 15 S CA -1.619 56.695 58.200 0.190 0.000 0.918 15 S CB 2.406 65.672 63.200 0.110 0.000 1.240 15 S HN 0.158 8.690 8.310 -0.154 -0.315 0.552 16 Y N 2.274 122.543 120.300 -0.052 0.000 2.102 16 Y HA -0.472 nan 4.550 nan 0.000 0.280 16 Y C 1.314 177.144 175.900 -0.117 0.000 1.178 16 Y CA 3.808 61.648 58.100 -0.433 0.000 1.146 16 Y CB -0.065 38.175 38.460 -0.367 0.000 0.968 16 Y HN 0.560 9.007 8.280 0.278 0.000 0.504 17 E N -2.954 117.095 120.200 -0.252 0.000 2.118 17 E HA -0.414 nan 4.350 nan 0.000 0.195 17 E C 2.510 178.968 176.600 -0.238 0.000 0.992 17 E CA 3.328 59.552 56.400 -0.295 0.000 0.804 17 E CB -0.857 28.780 29.700 -0.105 0.000 0.741 17 E HN -0.056 8.301 8.360 -0.004 0.000 0.458 18 D N -0.283 119.989 120.400 -0.213 0.000 2.097 18 D HA -0.243 nan 4.640 nan 0.000 0.195 18 D C 2.435 178.623 176.300 -0.187 0.000 0.989 18 D CA 3.457 57.310 54.000 -0.244 0.000 0.827 18 D CB -0.130 40.319 40.800 -0.585 0.000 0.966 18 D HN -0.508 7.735 8.370 -0.187 0.014 0.456 19 F N -0.912 119.028 119.950 -0.017 0.000 2.206 19 F HA -0.215 nan 4.527 nan 0.000 0.298 19 F C 1.968 177.502 175.800 -0.442 0.000 1.090 19 F CA 3.173 61.133 58.000 -0.066 0.000 1.323 19 F CB -0.271 38.866 39.000 0.228 0.000 1.028 19 F HN -0.799 7.466 8.300 -0.059 0.000 0.492 20 Q N -0.449 119.177 119.800 -0.290 0.000 2.181 20 Q HA -0.376 nan 4.340 nan 0.000 0.205 20 Q C 2.075 177.902 176.000 -0.288 0.000 0.980 20 Q CA 3.175 58.732 55.803 -0.411 0.000 0.862 20 Q CB -0.631 27.810 28.738 -0.496 0.000 0.905 20 Q HN 0.265 8.364 8.270 -0.284 0.000 0.429 21 K N -0.563 119.692 120.400 -0.243 0.000 2.097 21 K HA -0.290 nan 4.320 nan 0.000 0.205 21 K C 2.399 178.733 176.600 -0.444 0.000 1.050 21 K CA 3.364 59.540 56.287 -0.186 0.000 0.938 21 K CB -0.181 32.311 32.500 -0.013 0.000 0.718 21 K HN -0.454 7.659 8.250 -0.228 0.000 0.442 22 V N 0.330 119.789 119.914 -0.759 0.000 2.358 22 V HA -0.353 nan 4.120 nan 0.000 0.246 22 V C 1.716 177.498 176.094 -0.520 0.000 1.047 22 V CA 4.442 66.155 62.300 -0.978 0.000 1.035 22 V CB -1.048 30.252 31.823 -0.871 0.000 0.658 22 V HN -0.609 7.145 8.190 -0.596 0.078 0.452 23 Y N -0.108 119.825 120.300 -0.611 0.000 2.070 23 Y HA -0.624 nan 4.550 nan 0.000 0.280 23 Y C 1.471 177.184 175.900 -0.312 0.000 1.148 23 Y CA 3.900 61.677 58.100 -0.538 0.000 1.125 23 Y CB -0.148 37.848 38.460 -0.773 0.000 0.975 23 Y HN 0.103 8.099 8.280 -0.473 0.000 0.492 24 N N -1.032 117.703 118.700 0.058 0.000 2.094 24 N HA -0.564 nan 4.740 nan 0.000 0.191 24 N C 2.069 177.555 175.510 -0.042 0.000 1.023 24 N CA 3.138 56.215 53.050 0.046 0.000 0.857 24 N CB -0.179 38.330 38.487 0.037 0.000 1.013 24 N HN -0.012 8.393 8.380 0.041 0.000 0.426 25 A N 0.355 123.133 122.820 -0.070 0.000 1.902 25 A HA -0.251 nan 4.320 nan 0.000 0.217 25 A C 2.033 179.557 177.584 -0.100 0.000 1.181 25 A CA 3.024 55.044 52.037 -0.029 0.000 0.623 25 A CB -0.613 18.457 19.000 0.116 0.000 0.818 25 A HN -0.138 7.943 8.150 -0.116 0.000 0.443 26 I N -1.364 119.107 120.570 -0.165 0.000 2.179 26 I HA -0.584 nan 4.170 nan 0.000 0.242 26 I C 1.789 177.865 176.117 -0.070 0.000 1.088 26 I CA 4.076 65.308 61.300 -0.113 0.000 1.357 26 I CB -0.215 37.670 38.000 -0.191 0.000 1.051 26 I HN -0.147 7.929 8.210 -0.223 0.000 0.409 27 A N 0.005 122.708 122.820 -0.195 0.000 1.930 27 A HA -0.250 nan 4.320 nan 0.000 0.217 27 A C 2.115 179.686 177.584 -0.022 0.000 1.175 27 A CA 3.305 55.257 52.037 -0.142 0.000 0.627 27 A CB -0.671 18.212 19.000 -0.195 0.000 0.815 27 A HN 0.193 8.164 8.150 -0.298 0.000 0.443 28 L N -1.888 119.324 121.223 -0.018 0.000 2.046 28 L HA -0.304 nan 4.340 nan 0.000 0.208 28 L C 2.064 178.938 176.870 0.007 0.000 1.077 28 L CA 2.335 57.177 54.840 0.003 0.000 0.747 28 L CB -1.225 40.831 42.059 -0.006 0.000 0.896 28 L HN 0.151 8.357 8.230 -0.040 0.000 0.432 29 K N -0.183 120.202 120.400 -0.024 0.000 2.217 29 K HA -0.242 nan 4.320 nan 0.000 0.202 29 K C 2.527 179.236 176.600 0.183 0.000 1.051 29 K CA 3.194 59.450 56.287 -0.052 0.000 0.952 29 K CB -0.219 32.056 32.500 -0.376 0.000 0.736 29 K HN -0.582 7.636 8.250 -0.054 0.000 0.453 30 L N -1.536 119.857 121.223 0.283 0.000 2.046 30 L HA -0.391 nan 4.340 nan 0.000 0.208 30 L C 1.934 178.905 176.870 0.169 0.000 1.077 30 L CA 2.982 57.972 54.840 0.250 0.000 0.747 30 L CB -0.353 41.767 42.059 0.102 0.000 0.896 30 L HN 0.024 8.388 8.230 0.224 0.000 0.432 31 R N -2.539 118.028 120.500 0.112 0.000 2.083 31 R HA -0.320 nan 4.340 nan 0.000 0.237 31 R C 2.208 178.571 176.300 0.105 0.000 1.137 31 R CA 2.696 58.853 56.100 0.096 0.000 0.951 31 R CB 0.061 30.402 30.300 0.068 0.000 0.851 31 R HN -0.593 7.732 8.270 0.091 0.000 0.434 32 E N -1.553 118.703 120.200 0.093 0.000 2.028 32 E HA -0.206 nan 4.350 nan 0.000 0.191 32 E C 1.996 178.666 176.600 0.118 0.000 0.988 32 E CA 2.386 58.836 56.400 0.083 0.000 0.799 32 E CB 0.233 29.956 29.700 0.038 0.000 0.755 32 E HN -0.455 7.954 8.360 0.080 0.000 0.447 33 D N 0.350 120.853 120.400 0.172 0.000 3.085 33 D HA 0.147 nan 4.640 nan 0.000 0.243 33 D C -0.070 176.377 176.300 0.246 0.000 1.232 33 D CA -0.508 53.634 54.000 0.237 0.000 0.913 33 D CB -1.934 39.078 40.800 0.352 0.000 1.108 33 D HN -0.233 8.249 8.370 0.186 0.000 0.468 34 D N -1.525 118.971 120.400 0.160 0.000 2.371 34 D HA -0.266 nan 4.640 nan 0.000 0.221 34 D C 0.056 176.322 176.300 -0.058 0.000 0.986 34 D CA 1.992 56.069 54.000 0.128 0.000 0.899 34 D CB -0.387 40.522 40.800 0.181 0.000 0.902 34 D HN -0.305 8.069 8.370 0.151 0.087 0.530 35 E N -2.562 117.504 120.200 -0.223 0.000 2.299 35 E HA -0.268 nan 4.350 nan 0.000 0.193 35 E C 0.346 176.618 176.600 -0.546 0.000 0.998 35 E CA 0.033 55.947 56.400 -0.811 0.000 0.851 35 E CB -0.984 28.433 29.700 -0.471 0.000 0.795 35 E HN 0.044 8.313 8.360 -0.038 0.068 0.492 36 Y N 4.171 124.257 120.300 -0.355 0.000 2.811 36 Y HA -0.364 nan 4.550 nan 0.000 0.334 36 Y C -1.140 174.562 175.900 -0.329 0.000 1.247 36 Y CA 1.783 59.652 58.100 -0.387 0.000 1.526 36 Y CB 0.336 38.338 38.460 -0.763 0.000 1.284 36 Y HN -1.005 7.271 8.280 -0.006 0.000 0.586 37 D N 6.714 126.550 120.400 -0.940 0.000 2.812 37 D HA -0.472 nan 4.640 nan 0.000 0.237 37 D C -0.902 175.223 176.300 -0.292 0.000 1.162 37 D CA 1.044 54.635 54.000 -0.683 0.000 0.740 37 D CB -0.823 39.479 40.800 -0.831 0.000 1.000 37 D HN 0.446 8.253 8.370 -0.939 0.000 0.416 38 N N -2.475 116.108 118.700 -0.195 0.000 2.714 38 N HA -0.422 nan 4.740 nan 0.000 0.252 38 N C -0.935 174.643 175.510 0.113 0.000 1.014 38 N CA 1.332 54.378 53.050 -0.007 0.000 0.735 38 N CB -1.046 37.457 38.487 0.026 0.000 0.924 38 N HN 0.474 8.720 8.380 -0.224 0.000 0.540 39 Y N -9.410 110.871 120.300 -0.031 0.000 4.490 39 Y HA -0.482 nan 4.550 nan 0.000 0.233 39 Y C 0.222 176.130 175.900 0.013 0.000 1.101 39 Y CA 1.442 59.547 58.100 0.007 0.000 2.010 39 Y CB -2.111 36.359 38.460 0.017 0.000 1.622 39 Y HN -0.258 7.648 8.280 -0.469 0.093 0.675 40 I N -2.529 118.059 120.570 0.029 0.000 2.500 40 I HA -0.268 nan 4.170 nan 0.000 0.252 40 I C 0.634 176.787 176.117 0.061 0.000 1.142 40 I CA 1.851 63.179 61.300 0.047 0.000 1.451 40 I CB 0.619 38.627 38.000 0.014 0.000 1.093 40 I HN -0.613 7.509 8.210 -0.046 0.060 0.430 41 G N -2.636 106.189 108.800 0.042 0.000 2.756 41 G HA2 -0.270 nan 3.960 nan 0.000 0.678 41 G HA3 -0.270 nan 3.960 nan 0.000 0.678 41 G C -0.673 174.295 174.900 0.114 0.000 1.349 41 G CA -0.628 44.530 45.100 0.097 0.000 0.847 41 G HN -0.521 7.751 8.290 -0.031 0.000 0.548 42 Y N -0.045 120.243 120.300 -0.020 0.000 2.529 42 Y HA -0.096 nan 4.550 nan 0.000 0.290 42 Y C 1.393 177.134 175.900 -0.266 0.000 1.177 42 Y CA 1.478 59.414 58.100 -0.273 0.000 1.305 42 Y CB -0.278 37.680 38.460 -0.836 0.000 1.047 42 Y HN 0.525 8.964 8.280 0.264 0.000 0.522 43 G N 0.533 109.318 108.800 -0.025 0.000 2.514 43 G HA2 -0.334 nan 3.960 nan 0.000 0.217 43 G HA3 -0.334 nan 3.960 nan 0.000 0.217 43 G C -1.254 173.649 174.900 0.006 0.000 1.198 43 G CA 2.464 47.544 45.100 -0.035 0.000 0.780 43 G HN 0.626 8.867 8.290 0.021 0.061 0.565 44 P HA -0.217 nan 4.420 nan 0.000 0.215 44 P C 0.907 178.266 177.300 0.098 0.000 1.157 44 P CA 2.692 65.844 63.100 0.087 0.000 0.868 44 P CB -0.599 31.173 31.700 0.119 0.000 0.788 45 V N -3.358 116.616 119.914 0.100 0.000 2.626 45 V HA -0.266 nan 4.120 nan 0.000 0.252 45 V C 1.619 177.728 176.094 0.025 0.000 1.067 45 V CA 2.789 65.140 62.300 0.084 0.000 1.081 45 V CB -0.601 31.293 31.823 0.117 0.000 0.686 45 V HN -0.213 8.047 8.190 0.116 0.000 0.468 46 L N -1.286 119.928 121.223 -0.015 0.000 2.109 46 L HA -0.285 nan 4.340 nan 0.000 0.207 46 L C 1.858 178.768 176.870 0.066 0.000 1.086 46 L CA 3.328 58.151 54.840 -0.028 0.000 0.760 46 L CB -0.616 41.371 42.059 -0.120 0.000 0.910 46 L HN -0.406 7.786 8.230 -0.034 0.017 0.437 47 V N -1.208 118.765 119.914 0.099 0.000 2.719 47 V HA -0.346 nan 4.120 nan 0.000 0.252 47 V C 1.271 177.534 176.094 0.282 0.000 1.065 47 V CA 3.357 65.781 62.300 0.207 0.000 1.086 47 V CB -0.736 31.152 31.823 0.108 0.000 0.700 47 V HN -0.093 8.134 8.190 0.062 0.000 0.467 48 R N 0.604 121.230 120.500 0.210 0.000 2.096 48 R HA -0.326 nan 4.340 nan 0.000 0.235 48 R C 1.770 178.124 176.300 0.090 0.000 1.127 48 R CA 3.460 59.710 56.100 0.249 0.000 0.968 48 R CB -0.112 30.260 30.300 0.119 0.000 0.861 48 R HN -0.273 8.088 8.270 0.152 0.000 0.440 49 L N -0.824 120.389 121.223 -0.017 0.000 2.017 49 L HA -0.307 nan 4.340 nan 0.000 0.208 49 L C 1.147 177.988 176.870 -0.048 0.000 1.073 49 L CA 3.158 57.901 54.840 -0.161 0.000 0.745 49 L CB -0.464 41.483 42.059 -0.187 0.000 0.894 49 L HN 0.012 8.142 8.230 0.008 0.105 0.432 50 A N -1.136 121.760 122.820 0.127 0.000 1.933 50 A HA -0.314 nan 4.320 nan 0.000 0.218 50 A C 1.635 179.382 177.584 0.272 0.000 1.175 50 A CA 2.946 55.103 52.037 0.201 0.000 0.628 50 A CB -0.878 18.300 19.000 0.296 0.000 0.814 50 A HN -0.220 8.021 8.150 0.151 0.000 0.444 51 W N -1.276 120.169 121.300 0.242 0.000 2.409 51 W HA -0.401 nan 4.660 nan 0.000 0.299 51 W C 1.431 178.114 176.519 0.273 0.000 1.203 51 W CA 3.052 60.566 57.345 0.283 0.000 1.298 51 W CB 0.156 29.834 29.460 0.363 0.000 1.127 51 W HN -0.155 8.361 8.180 0.560 0.000 0.528 52 H N -0.705 118.064 119.070 -0.502 0.000 2.423 52 H HA -0.347 nan 4.556 nan 0.000 0.297 52 H C 2.334 177.462 175.328 -0.332 0.000 1.075 52 H CA 3.262 58.942 56.048 -0.614 0.000 1.342 52 H CB 0.882 30.378 29.762 -0.444 0.000 1.395 52 H HN -0.250 8.043 8.280 0.021 0.000 0.530 53 I N -5.307 115.199 120.570 -0.106 0.000 2.761 53 I HA -0.202 nan 4.170 nan 0.000 0.261 53 I C 0.568 176.708 176.117 0.039 0.000 1.198 53 I CA 2.075 63.359 61.300 -0.027 0.000 1.482 53 I CB -0.141 37.858 38.000 -0.001 0.000 1.100 53 I HN -0.380 7.763 8.210 -0.112 0.000 0.445 54 S N 0.346 116.068 115.700 0.036 0.000 2.439 54 S HA -0.051 nan 4.470 nan 0.000 0.224 54 S C 2.162 176.820 174.600 0.096 0.000 1.029 54 S CA 3.579 61.825 58.200 0.076 0.000 0.946 54 S CB 0.282 63.547 63.200 0.109 0.000 0.797 54 S HN -0.720 7.591 8.310 0.034 0.019 0.504 55 G N 0.259 109.032 108.800 -0.045 0.000 2.679 55 G HA2 -0.123 nan 3.960 nan 0.000 0.212 55 G HA3 -0.123 nan 3.960 nan 0.000 0.212 55 G C -0.315 174.563 174.900 -0.036 0.000 1.137 55 G CA 1.876 46.909 45.100 -0.111 0.000 0.787 55 G HN 0.210 8.402 8.290 -0.164 0.000 0.534 56 T N -2.872 111.682 114.554 -0.000 0.000 3.148 56 T HA -0.059 nan 4.350 nan 0.000 0.253 56 T C 0.044 174.816 174.700 0.119 0.000 1.134 56 T CA -0.892 61.234 62.100 0.043 0.000 1.051 56 T CB -0.893 68.009 68.868 0.057 0.000 0.959 56 T HN -0.413 7.766 8.240 -0.004 0.059 0.525 57 W N 2.555 123.837 121.300 -0.029 0.000 2.210 57 W HA -0.156 nan 4.660 nan 0.000 0.330 57 W C -1.851 174.629 176.519 -0.065 0.000 1.334 57 W CA 0.681 58.012 57.345 -0.023 0.000 1.227 57 W CB 0.528 29.984 29.460 -0.008 0.000 1.178 57 W HN -0.687 7.593 8.180 0.286 0.072 0.560 58 D N 8.387 128.405 120.400 -0.638 0.000 2.440 58 D HA 0.315 nan 4.640 nan 0.000 0.239 58 D C 0.176 175.664 176.300 -1.353 0.000 1.084 58 D CA -1.821 51.712 54.000 -0.779 0.000 0.843 58 D CB 2.084 42.670 40.800 -0.356 0.000 1.097 58 D HN 0.318 8.382 8.370 -0.509 0.000 0.531 59 K N 6.003 125.434 120.400 -1.615 0.000 2.360 59 K HA -0.320 nan 4.320 nan 0.000 0.201 59 K C 1.096 177.261 176.600 -0.726 0.000 1.046 59 K CA 2.066 57.504 56.287 -1.415 0.000 0.940 59 K CB -0.183 31.762 32.500 -0.924 0.000 0.748 59 K HN 0.306 7.721 8.250 -1.392 0.000 0.465 60 H N -0.932 117.897 119.070 -0.402 0.000 2.403 60 H HA -0.102 nan 4.556 nan 0.000 0.298 60 H C 1.024 176.244 175.328 -0.180 0.000 1.059 60 H CA 1.868 57.780 56.048 -0.228 0.000 1.363 60 H CB 0.481 30.134 29.762 -0.182 0.000 1.410 60 H HN -0.202 7.841 8.280 -0.773 -0.227 0.528 61 D N -4.776 115.564 120.400 -0.101 0.000 2.540 61 D HA -0.059 nan 4.640 nan 0.000 0.229 61 D C 0.404 176.660 176.300 -0.073 0.000 1.250 61 D CA -0.832 53.126 54.000 -0.069 0.000 0.817 61 D CB 0.055 40.830 40.800 -0.041 0.000 1.060 61 D HN -0.602 7.654 8.370 -0.190 0.000 0.508 62 N N -1.781 116.843 118.700 -0.126 0.000 2.708 62 N HA -0.457 nan 4.740 nan 0.000 0.251 62 N C -0.946 174.684 175.510 0.200 0.000 1.123 62 N CA 1.132 54.223 53.050 0.069 0.000 0.739 62 N CB -0.844 37.698 38.487 0.091 0.000 1.113 62 N HN -0.110 8.117 8.380 -0.254 0.000 0.561 63 T N -6.513 108.074 114.554 0.055 0.000 2.874 63 T HA 0.313 nan 4.350 nan 0.000 0.281 63 T C -0.258 174.560 174.700 0.196 0.000 0.994 63 T CA -1.201 60.987 62.100 0.147 0.000 1.015 63 T CB 1.952 70.857 68.868 0.062 0.000 1.028 63 T HN -0.778 7.626 8.240 -0.083 -0.214 0.523 64 G N 3.090 112.018 108.800 0.213 0.000 2.598 64 G HA2 -0.479 nan 3.960 nan 0.000 0.244 64 G HA3 -0.479 nan 3.960 nan 0.000 0.244 64 G C -0.668 174.418 174.900 0.310 0.000 1.302 64 G CA -0.282 44.951 45.100 0.223 0.000 0.903 64 G HN 0.362 8.770 8.290 0.195 0.000 0.575 65 G N -1.022 107.943 108.800 0.276 0.000 2.796 65 G HA2 -0.316 nan 3.960 nan 0.000 0.571 65 G HA3 -0.316 nan 3.960 nan 0.000 0.571 65 G C 0.662 175.629 174.900 0.111 0.000 1.370 65 G CA -0.409 44.798 45.100 0.177 0.000 0.856 65 G HN -0.190 8.201 8.290 0.232 0.039 0.538 66 S N 0.744 116.482 115.700 0.064 0.000 2.481 66 S HA -0.283 nan 4.470 nan 0.000 0.231 66 S C 1.513 176.175 174.600 0.104 0.000 0.996 66 S CA 2.195 60.456 58.200 0.102 0.000 0.942 66 S CB 0.190 63.439 63.200 0.082 0.000 0.768 66 S HN 0.486 8.798 8.310 0.002 0.000 0.520 67 Y N 4.175 124.427 120.300 -0.080 0.000 2.069 67 Y HA -0.437 nan 4.550 nan 0.000 0.278 67 Y C 0.563 176.431 175.900 -0.053 0.000 1.175 67 Y CA 3.133 61.158 58.100 -0.126 0.000 1.134 67 Y CB -0.052 38.211 38.460 -0.329 0.000 0.965 67 Y HN 0.134 8.430 8.280 0.105 0.047 0.498 68 G N -6.604 102.245 108.800 0.082 0.000 2.813 68 G HA2 -0.103 nan 3.960 nan 0.000 0.209 68 G HA3 -0.103 nan 3.960 nan 0.000 0.209 68 G C 0.001 174.970 174.900 0.114 0.000 1.150 68 G CA -0.447 44.707 45.100 0.091 0.000 0.785 68 G HN -0.065 8.311 8.290 0.143 0.000 0.535 69 G N 0.173 109.060 108.800 0.146 0.000 2.341 69 G HA2 -0.478 nan 3.960 nan 0.000 0.292 69 G HA3 -0.478 nan 3.960 nan 0.000 0.292 69 G C 0.455 175.544 174.900 0.315 0.000 1.021 69 G CA 1.099 46.353 45.100 0.256 0.000 0.905 69 G HN -0.411 7.884 8.290 0.122 0.068 0.508 70 T N -3.714 111.036 114.554 0.326 0.000 3.113 70 T HA -0.262 nan 4.350 nan 0.000 0.263 70 T C 1.072 175.973 174.700 0.335 0.000 1.143 70 T CA 1.473 63.806 62.100 0.388 0.000 1.090 70 T CB -0.879 68.246 68.868 0.428 0.000 0.922 70 T HN 0.197 8.603 8.240 0.301 0.015 0.521 71 Y N 4.107 124.523 120.300 0.193 0.000 2.315 71 Y HA -0.383 nan 4.550 nan 0.000 0.288 71 Y C -0.001 175.950 175.900 0.085 0.000 1.154 71 Y CA 1.605 59.765 58.100 0.100 0.000 1.229 71 Y CB -0.601 37.807 38.460 -0.086 0.000 0.980 71 Y HN -0.494 8.020 8.280 0.460 0.042 0.540 72 R N -2.151 118.332 120.500 -0.029 0.000 2.193 72 R HA -0.275 nan 4.340 nan 0.000 0.229 72 R C 0.756 176.762 176.300 -0.491 0.000 1.110 72 R CA 1.622 57.556 56.100 -0.278 0.000 0.988 72 R CB -0.200 30.001 30.300 -0.166 0.000 0.871 72 R HN -0.840 7.521 8.270 0.207 0.034 0.458 73 F N -0.403 119.510 119.950 -0.061 0.000 2.384 73 F HA 0.119 nan 4.527 nan 0.000 0.338 73 F C 0.654 176.401 175.800 -0.089 0.000 1.103 73 F CA -1.054 56.904 58.000 -0.070 0.000 1.157 73 F CB 0.297 39.300 39.000 0.004 0.000 1.167 73 F HN -0.367 7.661 8.300 -0.183 0.163 0.529 74 K N 4.791 125.250 120.400 0.099 0.000 2.071 74 K HA -0.523 nan 4.320 nan 0.000 0.217 74 K C 1.777 178.438 176.600 0.101 0.000 1.054 74 K CA 4.156 60.474 56.287 0.052 0.000 0.937 74 K CB -0.597 31.926 32.500 0.039 0.000 0.719 74 K HN 0.748 9.065 8.250 0.111 0.000 0.454 75 K N -1.984 118.479 120.400 0.105 0.000 2.020 75 K HA -0.374 nan 4.320 nan 0.000 0.212 75 K C 1.364 178.025 176.600 0.101 0.000 1.050 75 K CA 3.385 59.725 56.287 0.088 0.000 0.929 75 K CB -0.220 32.324 32.500 0.073 0.000 0.714 75 K HN 0.001 8.319 8.250 0.114 0.000 0.443 76 E N -2.669 117.610 120.200 0.132 0.000 2.076 76 E HA -0.206 nan 4.350 nan 0.000 0.190 76 E C 2.645 179.305 176.600 0.099 0.000 0.979 76 E CA 2.123 58.608 56.400 0.142 0.000 0.807 76 E CB 0.168 29.991 29.700 0.206 0.000 0.761 76 E HN -0.683 7.775 8.360 0.163 0.000 0.454 77 F N 1.288 121.104 119.950 -0.223 0.000 2.126 77 F HA -0.354 nan 4.527 nan 0.000 0.299 77 F C 1.065 176.773 175.800 -0.154 0.000 1.096 77 F CA 3.512 61.240 58.000 -0.454 0.000 1.255 77 F CB 0.369 39.014 39.000 -0.592 0.000 0.997 77 F HN 0.009 8.358 8.300 0.082 0.000 0.479 78 N N -3.120 115.620 118.700 0.067 0.000 2.383 78 N HA -0.082 nan 4.740 nan 0.000 0.192 78 N C -0.912 174.614 175.510 0.028 0.000 1.141 78 N CA 0.446 53.519 53.050 0.039 0.000 0.851 78 N CB 0.402 38.941 38.487 0.086 0.000 0.976 78 N HN -0.356 8.107 8.380 0.138 0.000 0.465 79 D N 2.631 123.054 120.400 0.037 0.000 2.472 79 D HA 0.059 nan 4.640 nan 0.000 0.248 79 D C -0.138 176.187 176.300 0.041 0.000 1.174 79 D CA -1.438 52.592 54.000 0.048 0.000 0.883 79 D CB 0.588 41.428 40.800 0.067 0.000 1.149 79 D HN -0.621 7.590 8.370 0.045 0.185 0.488 80 P HA -0.272 nan 4.420 nan 0.000 0.218 80 P C 1.369 178.709 177.300 0.068 0.000 1.154 80 P CA 2.433 65.561 63.100 0.046 0.000 0.872 80 P CB 0.205 31.932 31.700 0.044 0.000 0.790 81 S N -3.231 112.516 115.700 0.079 0.000 2.507 81 S HA -0.279 nan 4.470 nan 0.000 0.235 81 S C 0.561 175.283 174.600 0.203 0.000 0.988 81 S CA 2.833 61.106 58.200 0.121 0.000 0.944 81 S CB -0.328 62.906 63.200 0.057 0.000 0.762 81 S HN -0.361 8.191 8.310 0.063 -0.204 0.526 82 N N -0.163 118.620 118.700 0.139 0.000 2.270 82 N HA 0.057 nan 4.740 nan 0.000 0.198 82 N C -1.436 174.076 175.510 0.003 0.000 1.117 82 N CA -0.913 52.203 53.050 0.111 0.000 0.845 82 N CB 0.174 38.733 38.487 0.121 0.000 0.980 82 N HN -0.198 8.057 8.380 0.092 0.181 0.486 83 A N -0.689 122.143 122.820 0.021 0.000 2.566 83 A HA -0.193 nan 4.320 nan 0.000 0.245 83 A C 0.404 177.982 177.584 -0.009 0.000 1.056 83 A CA 1.795 53.830 52.037 -0.003 0.000 0.757 83 A CB -0.553 18.465 19.000 0.029 0.000 0.979 83 A HN -0.499 7.619 8.150 0.057 0.066 0.508 84 G N 3.488 112.269 108.800 -0.032 0.000 2.258 84 G HA2 -0.424 nan 3.960 nan 0.000 0.233 84 G HA3 -0.424 nan 3.960 nan 0.000 0.233 84 G C 1.186 176.074 174.900 -0.020 0.000 1.006 84 G CA 0.834 45.918 45.100 -0.027 0.000 0.620 84 G HN 0.411 8.894 8.290 -0.046 -0.221 0.511 85 L N 1.731 122.917 121.223 -0.062 0.000 2.376 85 L HA -0.349 nan 4.340 nan 0.000 0.219 85 L C 0.900 177.787 176.870 0.029 0.000 1.133 85 L CA 1.969 56.768 54.840 -0.069 0.000 0.816 85 L CB -0.594 41.350 42.059 -0.192 0.000 0.933 85 L HN -0.316 7.786 8.230 -0.080 0.080 0.449 86 Q N -1.122 118.668 119.800 -0.017 0.000 2.181 86 Q HA -0.422 nan 4.340 nan 0.000 0.205 86 Q C 2.284 178.442 176.000 0.262 0.000 0.980 86 Q CA 3.424 59.286 55.803 0.099 0.000 0.862 86 Q CB -1.015 27.758 28.738 0.057 0.000 0.905 86 Q HN 0.489 8.659 8.270 -0.095 0.044 0.429 87 N N -0.104 118.706 118.700 0.184 0.000 2.120 87 N HA -0.275 nan 4.740 nan 0.000 0.188 87 N C 2.200 177.833 175.510 0.204 0.000 1.024 87 N CA 2.985 56.157 53.050 0.204 0.000 0.852 87 N CB -0.572 38.025 38.487 0.183 0.000 1.003 87 N HN -0.568 7.865 8.380 0.124 0.021 0.424 88 G N -0.356 108.538 108.800 0.155 0.000 2.408 88 G HA2 -0.241 nan 3.960 nan 0.000 0.217 88 G HA3 -0.241 nan 3.960 nan 0.000 0.217 88 G C 1.019 176.044 174.900 0.208 0.000 1.150 88 G CA 1.611 46.775 45.100 0.108 0.000 0.776 88 G HN -0.324 7.945 8.290 0.127 0.097 0.542 89 F N 2.872 122.918 119.950 0.160 0.000 2.069 89 F HA -0.363 nan 4.527 nan 0.000 0.298 89 F C 1.281 177.214 175.800 0.221 0.000 1.113 89 F CA 3.141 61.304 58.000 0.272 0.000 1.214 89 F CB 0.299 39.573 39.000 0.456 0.000 0.978 89 F HN -0.273 8.265 8.300 0.396 0.000 0.474 90 K N -2.530 118.041 120.400 0.284 0.000 2.097 90 K HA -0.418 nan 4.320 nan 0.000 0.206 90 K C 1.958 178.536 176.600 -0.037 0.000 1.049 90 K CA 2.908 59.257 56.287 0.104 0.000 0.933 90 K CB -0.207 32.403 32.500 0.183 0.000 0.717 90 K HN -0.138 8.384 8.250 0.454 0.000 0.442 91 F N -1.339 118.470 119.950 -0.234 0.000 2.095 91 F HA -0.291 nan 4.527 nan 0.000 0.298 91 F C 0.961 176.583 175.800 -0.297 0.000 1.104 91 F CA 2.881 60.626 58.000 -0.426 0.000 1.232 91 F CB 0.657 39.243 39.000 -0.691 0.000 0.987 91 F HN -0.647 7.717 8.300 0.107 0.000 0.475 92 L N -3.557 117.662 121.223 -0.007 0.000 2.313 92 L HA -0.316 nan 4.340 nan 0.000 0.214 92 L C 1.604 178.353 176.870 -0.202 0.000 1.119 92 L CA 1.815 56.608 54.840 -0.078 0.000 0.809 92 L CB -0.335 41.760 42.059 0.060 0.000 0.933 92 L HN -0.378 7.908 8.230 0.093 0.000 0.449 93 E N 0.545 120.574 120.200 -0.285 0.000 2.070 93 E HA -0.283 nan 4.350 nan 0.000 0.197 93 E C -1.024 175.470 176.600 -0.177 0.000 1.004 93 E CA 5.581 61.815 56.400 -0.277 0.000 0.805 93 E CB -1.647 27.855 29.700 -0.330 0.000 0.744 93 E HN -0.220 7.954 8.360 -0.310 0.000 0.451 94 P HA -0.175 nan 4.420 nan 0.000 0.218 94 P C 1.543 178.750 177.300 -0.156 0.000 1.148 94 P CA 2.684 65.676 63.100 -0.180 0.000 0.822 94 P CB -0.495 31.074 31.700 -0.217 0.000 0.784 95 I N -1.673 118.803 120.570 -0.157 0.000 2.353 95 I HA -0.460 nan 4.170 nan 0.000 0.248 95 I C 1.632 177.771 176.117 0.037 0.000 1.119 95 I CA 3.735 65.002 61.300 -0.054 0.000 1.417 95 I CB -0.167 37.768 38.000 -0.108 0.000 1.078 95 I HN -0.794 7.182 8.210 -0.217 0.104 0.421 96 H N 0.846 119.827 119.070 -0.149 0.000 2.395 96 H HA -0.312 nan 4.556 nan 0.000 0.299 96 H C 1.615 176.843 175.328 -0.167 0.000 1.070 96 H CA 2.687 58.633 56.048 -0.169 0.000 1.356 96 H CB 0.407 30.051 29.762 -0.196 0.000 1.401 96 H HN -0.173 8.014 8.280 -0.028 0.076 0.524 97 K N -2.921 117.427 120.400 -0.087 0.000 2.147 97 K HA -0.201 nan 4.320 nan 0.000 0.205 97 K C 1.090 177.576 176.600 -0.190 0.000 1.049 97 K CA 1.502 57.698 56.287 -0.152 0.000 0.936 97 K CB -0.093 32.324 32.500 -0.139 0.000 0.722 97 K HN -0.404 7.803 8.250 -0.072 0.000 0.446 98 E N -1.429 118.631 120.200 -0.234 0.000 2.107 98 E HA -0.188 nan 4.350 nan 0.000 0.191 98 E C 0.178 176.353 176.600 -0.709 0.000 0.982 98 E CA 2.288 58.407 56.400 -0.469 0.000 0.809 98 E CB 0.942 30.306 29.700 -0.559 0.000 0.756 98 E HN -0.639 7.533 8.360 -0.171 0.085 0.459 99 F N -2.840 116.983 119.950 -0.212 0.000 2.449 99 F HA 0.469 nan 4.527 nan 0.000 0.329 99 F C -2.257 173.237 175.800 -0.509 0.000 1.245 99 F CA -2.989 54.752 58.000 -0.432 0.000 1.193 99 F CB -0.237 38.365 39.000 -0.662 0.000 1.425 99 F HN -0.440 7.808 8.300 -0.087 0.000 0.544 100 P HA -0.122 nan 4.420 nan 0.000 0.226 100 P C -0.221 177.043 177.300 -0.060 0.000 1.153 100 P CA 1.427 64.424 63.100 -0.172 0.000 0.777 100 P CB -0.312 31.320 31.700 -0.113 0.000 0.794 101 W N -5.728 115.607 121.300 0.059 0.000 2.519 101 W HA -0.088 nan 4.660 nan 0.000 0.266 101 W C -0.636 175.950 176.519 0.111 0.000 1.253 101 W CA -1.166 56.216 57.345 0.061 0.000 1.274 101 W CB -0.491 28.990 29.460 0.034 0.000 1.114 101 W HN -0.576 7.524 8.180 -0.050 0.050 0.596 102 I N 2.196 122.607 120.570 -0.264 0.000 2.575 102 I HA 0.015 nan 4.170 nan 0.000 0.285 102 I C -0.484 175.689 176.117 0.093 0.000 1.085 102 I CA -0.342 60.887 61.300 -0.118 0.000 1.403 102 I CB 1.527 39.187 38.000 -0.567 0.000 1.409 102 I HN -0.772 6.976 8.210 -0.710 0.037 0.557 103 S N 6.960 122.729 115.700 0.114 0.000 2.593 103 S HA 0.150 nan 4.470 nan 0.000 0.269 103 S C 1.466 175.976 174.600 -0.150 0.000 1.334 103 S CA -0.199 58.021 58.200 0.033 0.000 1.015 103 S CB 0.938 64.144 63.200 0.011 0.000 0.912 103 S HN 0.025 8.748 8.310 0.208 -0.287 0.541 104 S N 4.909 120.488 115.700 -0.202 0.000 2.353 104 S HA -0.409 nan 4.470 nan 0.000 0.222 104 S C 2.098 176.273 174.600 -0.708 0.000 1.035 104 S CA 3.715 61.553 58.200 -0.603 0.000 1.025 104 S CB -0.422 62.538 63.200 -0.399 0.000 0.902 104 S HN 0.231 8.827 8.310 -0.064 -0.325 0.440 105 G N 0.053 108.710 108.800 -0.237 0.000 2.440 105 G HA2 -0.336 nan 3.960 nan 0.000 0.218 105 G HA3 -0.336 nan 3.960 nan 0.000 0.218 105 G C 0.912 175.833 174.900 0.035 0.000 1.154 105 G CA 1.964 47.052 45.100 -0.021 0.000 0.767 105 G HN -0.188 8.004 8.290 -0.163 0.000 0.552 106 D N 2.724 123.151 120.400 0.045 0.000 2.117 106 D HA -0.167 nan 4.640 nan 0.000 0.197 106 D C 2.143 178.539 176.300 0.160 0.000 0.987 106 D CA 3.012 57.190 54.000 0.297 0.000 0.829 106 D CB -0.281 40.758 40.800 0.400 0.000 0.961 106 D HN -0.631 7.727 8.370 -0.020 0.000 0.460 107 L N 0.416 121.541 121.223 -0.162 0.000 2.027 107 L HA -0.299 nan 4.340 nan 0.000 0.206 107 L C 1.597 178.411 176.870 -0.093 0.000 1.074 107 L CA 3.425 58.093 54.840 -0.285 0.000 0.745 107 L CB -0.241 41.445 42.059 -0.622 0.000 0.898 107 L HN -0.066 8.001 8.230 -0.272 0.000 0.433 108 F N -2.603 117.339 119.950 -0.014 0.000 2.134 108 F HA -0.377 nan 4.527 nan 0.000 0.299 108 F C 2.351 178.178 175.800 0.044 0.000 1.097 108 F CA 2.010 60.025 58.000 0.024 0.000 1.264 108 F CB -1.288 37.748 39.000 0.061 0.000 1.001 108 F HN 0.397 8.427 8.300 -0.451 0.000 0.479 109 S N -0.391 115.476 115.700 0.279 0.000 2.371 109 S HA -0.314 nan 4.470 nan 0.000 0.224 109 S C 2.268 176.967 174.600 0.164 0.000 1.029 109 S CA 3.487 61.840 58.200 0.256 0.000 0.978 109 S CB 0.211 63.630 63.200 0.365 0.000 0.833 109 S HN -0.249 8.226 8.310 0.276 0.000 0.466 110 L N 2.858 124.081 121.223 0.000 0.000 2.083 110 L HA -0.230 nan 4.340 nan 0.000 0.209 110 L C 1.637 178.375 176.870 -0.221 0.000 1.083 110 L CA 2.290 56.878 54.840 -0.420 0.000 0.752 110 L CB -0.613 41.020 42.059 -0.709 0.000 0.899 110 L HN 0.114 8.420 8.230 0.127 0.000 0.433 111 G N -2.135 106.608 108.800 -0.096 0.000 2.469 111 G HA2 -0.464 nan 3.960 nan 0.000 0.219 111 G HA3 -0.464 nan 3.960 nan 0.000 0.219 111 G C 0.970 175.861 174.900 -0.014 0.000 1.150 111 G CA 2.608 47.673 45.100 -0.059 0.000 0.763 111 G HN 0.373 8.633 8.290 -0.049 0.000 0.561 112 G N 0.782 109.642 108.800 0.100 0.000 2.421 112 G HA2 -0.326 nan 3.960 nan 0.000 0.216 112 G HA3 -0.326 nan 3.960 nan 0.000 0.216 112 G C 1.088 176.146 174.900 0.262 0.000 1.171 112 G CA 1.874 47.122 45.100 0.246 0.000 0.775 112 G HN -0.663 7.697 8.290 0.116 0.000 0.543 113 V N 2.557 122.604 119.914 0.222 0.000 2.295 113 V HA -0.456 nan 4.120 nan 0.000 0.246 113 V C 2.318 178.467 176.094 0.092 0.000 1.049 113 V CA 4.385 66.813 62.300 0.214 0.000 1.024 113 V CB -0.757 31.173 31.823 0.179 0.000 0.648 113 V HN -0.339 7.945 8.190 0.157 0.000 0.447 114 T N 1.062 115.563 114.554 -0.088 0.000 2.708 114 T HA -0.341 nan 4.350 nan 0.000 0.266 114 T C 1.353 175.918 174.700 -0.224 0.000 1.037 114 T CA 5.071 66.945 62.100 -0.377 0.000 1.146 114 T CB -0.629 67.817 68.868 -0.703 0.000 0.865 114 T HN 0.172 8.339 8.240 -0.121 0.000 0.435 115 A N 0.815 123.550 122.820 -0.141 0.000 1.883 115 A HA -0.245 nan 4.320 nan 0.000 0.217 115 A C 1.737 179.268 177.584 -0.088 0.000 1.186 115 A CA 3.368 55.347 52.037 -0.097 0.000 0.624 115 A CB -0.859 18.100 19.000 -0.068 0.000 0.822 115 A HN -0.079 7.997 8.150 -0.122 0.000 0.444 116 V N -1.022 118.820 119.914 -0.120 0.000 2.332 116 V HA -0.550 nan 4.120 nan 0.000 0.248 116 V C 2.391 178.326 176.094 -0.265 0.000 1.055 116 V CA 4.494 66.614 62.300 -0.300 0.000 1.038 116 V CB -1.079 30.454 31.823 -0.483 0.000 0.651 116 V HN -0.226 7.924 8.190 -0.066 0.000 0.450 117 Q N -1.887 117.847 119.800 -0.111 0.000 2.123 117 Q HA -0.296 nan 4.340 nan 0.000 0.199 117 Q C 3.164 179.176 176.000 0.020 0.000 0.966 117 Q CA 3.130 58.918 55.803 -0.026 0.000 0.845 117 Q CB -0.187 28.643 28.738 0.154 0.000 0.907 117 Q HN -0.291 7.949 8.270 -0.050 0.000 0.439 118 E N 0.025 120.235 120.200 0.015 0.000 2.204 118 E HA -0.211 nan 4.350 nan 0.000 0.194 118 E C 1.438 178.054 176.600 0.026 0.000 0.989 118 E CA 1.952 58.367 56.400 0.025 0.000 0.824 118 E CB -0.239 29.447 29.700 -0.023 0.000 0.756 118 E HN -0.017 8.331 8.360 -0.019 0.000 0.477 119 M N -1.651 117.953 119.600 0.007 0.000 2.686 119 M HA 0.038 nan 4.480 nan 0.000 0.216 119 M C -1.192 175.152 176.300 0.074 0.000 1.221 119 M CA 0.339 55.667 55.300 0.046 0.000 0.992 119 M CB -0.608 32.028 32.600 0.060 0.000 1.739 119 M HN -0.409 7.865 8.290 -0.026 0.000 0.461 120 Q N -5.431 114.401 119.800 0.054 0.000 2.481 120 Q HA -0.421 nan 4.340 nan 0.000 0.258 120 Q C -0.101 175.933 176.000 0.057 0.000 0.961 120 Q CA 0.993 56.846 55.803 0.084 0.000 1.121 120 Q CB -3.122 25.701 28.738 0.141 0.000 1.503 120 Q HN -0.175 8.002 8.270 0.038 0.116 0.544 121 G N 1.271 109.974 108.800 -0.161 0.000 2.588 121 G HA2 0.138 nan 3.960 nan 0.000 0.278 121 G HA3 0.138 nan 3.960 nan 0.000 0.278 121 G C -2.041 172.472 174.900 -0.645 0.000 1.307 121 G CA -1.155 43.558 45.100 -0.643 0.000 1.016 121 G HN -0.252 7.900 8.290 -0.153 0.046 0.503 122 P HA 0.006 nan 4.420 nan 0.000 0.274 122 P C -1.283 175.875 177.300 -0.238 0.000 1.237 122 P CA -0.607 62.219 63.100 -0.456 0.000 0.793 122 P CB 0.834 32.254 31.700 -0.467 0.000 0.977 123 K N -0.457 119.889 120.400 -0.089 0.000 2.412 123 K HA -0.047 nan 4.320 nan 0.000 0.281 123 K C -0.542 176.052 176.600 -0.009 0.000 1.027 123 K CA -0.300 55.972 56.287 -0.024 0.000 0.989 123 K CB 0.025 32.524 32.500 -0.002 0.000 0.935 123 K HN 0.042 8.261 8.250 -0.052 0.000 0.475 124 I N 5.834 126.435 120.570 0.053 0.000 2.328 124 I HA 0.246 nan 4.170 nan 0.000 0.287 124 I C -1.613 174.568 176.117 0.106 0.000 1.012 124 I CA -4.669 56.688 61.300 0.095 0.000 1.195 124 I CB -0.937 37.187 38.000 0.207 0.000 1.350 124 I HN -0.159 8.373 8.210 0.088 -0.268 0.464 125 P HA -0.034 nan 4.420 nan 0.000 0.265 125 P C -2.200 175.147 177.300 0.078 0.000 1.193 125 P CA -0.067 63.034 63.100 0.001 0.000 0.765 125 P CB 0.244 31.895 31.700 -0.081 0.000 0.823 126 W N 6.040 127.265 121.300 -0.125 0.000 2.785 126 W HA 0.250 nan 4.660 nan 0.000 0.333 126 W C -2.699 173.689 176.519 -0.218 0.000 1.062 126 W CA -1.305 55.992 57.345 -0.080 0.000 1.233 126 W CB 3.991 33.545 29.460 0.158 0.000 1.413 126 W HN 0.609 8.864 8.180 0.125 0.000 0.489 127 R N 3.989 123.899 120.500 -0.985 0.000 2.514 127 R HA 0.530 nan 4.340 nan 0.000 0.301 127 R C -1.283 174.103 176.300 -1.522 0.000 0.962 127 R CA -1.545 53.877 56.100 -1.129 0.000 0.882 127 R CB 3.224 32.857 30.300 -1.112 0.000 1.143 127 R HN 0.266 7.903 8.270 -1.055 0.000 0.452 128 C N -1.966 116.635 119.300 -1.165 0.000 2.396 128 C HA 0.503 nan 4.460 nan 0.000 0.359 128 C C 0.617 175.470 174.990 -0.228 0.000 1.307 128 C CA -2.099 56.425 59.018 -0.824 0.000 2.392 128 C CB 0.812 28.234 27.740 -0.530 0.000 2.245 128 C HN 0.539 8.190 8.230 -0.965 0.000 0.615 129 G N -0.802 107.977 108.800 -0.034 0.000 2.227 129 G HA2 -0.222 nan 3.960 nan 0.000 0.168 129 G HA3 -0.222 nan 3.960 nan 0.000 0.168 129 G C -1.184 173.702 174.900 -0.023 0.000 1.006 129 G CA -0.249 44.881 45.100 0.051 0.000 0.684 129 G HN 0.282 8.983 8.290 0.023 -0.397 0.489 130 R N 0.667 121.100 120.500 -0.112 0.000 2.590 130 R HA 0.047 nan 4.340 nan 0.000 0.274 130 R C -0.980 175.040 176.300 -0.468 0.000 1.061 130 R CA 0.931 56.784 56.100 -0.412 0.000 1.081 130 R CB 0.810 30.948 30.300 -0.271 0.000 0.984 130 R HN -0.517 7.952 8.270 -0.072 -0.242 0.448 131 V N 3.884 123.252 119.914 -0.909 0.000 2.540 131 V HA 0.080 nan 4.120 nan 0.000 0.302 131 V C -1.171 174.737 176.094 -0.310 0.000 1.035 131 V CA -1.564 60.496 62.300 -0.400 0.000 0.873 131 V CB 2.202 33.929 31.823 -0.160 0.000 0.992 131 V HN -0.045 6.934 8.190 -2.018 0.000 0.428 132 D N 5.379 125.719 120.400 -0.099 0.000 2.450 132 D HA -0.046 nan 4.640 nan 0.000 0.247 132 D C -0.205 176.148 176.300 0.089 0.000 1.162 132 D CA 0.943 54.943 54.000 0.000 0.000 0.879 132 D CB 0.348 41.170 40.800 0.036 0.000 1.163 132 D HN 0.053 8.389 8.370 -0.058 0.000 0.472 133 T N 0.623 115.276 114.554 0.164 0.000 2.950 133 T HA 0.514 nan 4.350 nan 0.000 0.288 133 T C -1.840 173.023 174.700 0.272 0.000 1.035 133 T CA -3.310 58.919 62.100 0.214 0.000 1.028 133 T CB 0.334 69.346 68.868 0.240 0.000 1.109 133 T HN -0.191 8.049 8.240 0.170 0.102 0.514 134 P HA 0.121 nan 4.420 nan 0.000 0.271 134 P C 0.845 178.026 177.300 -0.197 0.000 1.233 134 P CA -0.884 62.267 63.100 0.085 0.000 0.789 134 P CB 0.675 32.392 31.700 0.028 0.000 0.951 135 E N 1.163 120.937 120.200 -0.711 0.000 2.219 135 E HA -0.383 nan 4.350 nan 0.000 0.198 135 E C 1.482 177.745 176.600 -0.563 0.000 0.998 135 E CA 3.529 59.099 56.400 -1.382 0.000 0.818 135 E CB -0.138 28.889 29.700 -1.123 0.000 0.741 135 E HN 0.520 8.609 8.360 -0.451 0.000 0.477 136 D N -5.784 114.451 120.400 -0.274 0.000 2.349 136 D HA -0.115 nan 4.640 nan 0.000 0.224 136 D C 1.021 177.286 176.300 -0.058 0.000 1.029 136 D CA 1.132 55.052 54.000 -0.134 0.000 0.879 136 D CB -0.894 39.858 40.800 -0.080 0.000 0.906 136 D HN 0.106 8.309 8.370 -0.240 0.023 0.528 137 T N -3.880 110.655 114.554 -0.031 0.000 3.107 137 T HA 0.101 nan 4.350 nan 0.000 0.249 137 T C 0.914 175.666 174.700 0.087 0.000 1.096 137 T CA -0.130 62.006 62.100 0.059 0.000 1.012 137 T CB 0.442 69.386 68.868 0.126 0.000 0.977 137 T HN -0.425 7.609 8.240 -0.075 0.161 0.527 138 T N 7.799 122.384 114.554 0.052 0.000 2.829 138 T HA 0.119 nan 4.350 nan 0.000 0.293 138 T C -1.686 173.070 174.700 0.094 0.000 0.970 138 T CA -0.137 62.034 62.100 0.118 0.000 1.168 138 T CB -0.596 68.329 68.868 0.096 0.000 0.911 138 T HN -0.646 7.506 8.240 -0.045 0.062 0.535 139 P HA 0.033 nan 4.420 nan 0.000 0.268 139 P C -1.554 175.787 177.300 0.069 0.000 1.205 139 P CA -0.723 62.427 63.100 0.084 0.000 0.771 139 P CB 0.617 32.372 31.700 0.092 0.000 0.858 140 D N 1.714 122.144 120.400 0.050 0.000 2.382 140 D HA -0.144 nan 4.640 nan 0.000 0.240 140 D C 0.400 176.729 176.300 0.049 0.000 1.146 140 D CA 0.543 54.569 54.000 0.045 0.000 0.897 140 D CB 0.501 41.321 40.800 0.033 0.000 1.197 140 D HN 0.125 8.521 8.370 0.043 0.000 0.432 141 N N -0.239 118.491 118.700 0.049 0.000 2.374 141 N HA -0.243 nan 4.740 nan 0.000 0.241 141 N C 1.201 176.738 175.510 0.046 0.000 1.262 141 N CA 1.174 54.252 53.050 0.048 0.000 0.880 141 N CB 0.026 38.541 38.487 0.046 0.000 1.105 141 N HN 0.296 8.705 8.380 0.048 0.000 0.438 142 G N 0.300 109.128 108.800 0.048 0.000 2.179 142 G HA2 -0.230 nan 3.960 nan 0.000 0.220 142 G HA3 -0.230 nan 3.960 nan 0.000 0.220 142 G C -0.029 174.918 174.900 0.079 0.000 0.990 142 G CA 0.148 45.285 45.100 0.061 0.000 0.646 142 G HN 0.436 8.751 8.290 0.042 0.000 0.517 143 R N -1.202 119.339 120.500 0.067 0.000 2.300 143 R HA 0.010 nan 4.340 nan 0.000 0.199 143 R C -0.222 176.182 176.300 0.174 0.000 0.920 143 R CA 0.072 56.232 56.100 0.099 0.000 1.046 143 R CB 0.563 30.891 30.300 0.048 0.000 0.984 143 R HN -0.059 8.240 8.270 0.047 0.000 0.493 144 L N -0.609 120.647 121.223 0.055 0.000 2.379 144 L HA 0.265 nan 4.340 nan 0.000 0.269 144 L C -1.702 175.105 176.870 -0.105 0.000 1.084 144 L CA -2.718 52.085 54.840 -0.062 0.000 0.802 144 L CB 0.009 41.888 42.059 -0.299 0.000 1.175 144 L HN -0.423 7.767 8.230 0.026 0.056 0.448 145 P HA 0.076 nan 4.420 nan 0.000 0.278 145 P C -1.622 175.645 177.300 -0.055 0.000 1.238 145 P CA -0.768 62.050 63.100 -0.470 0.000 0.794 145 P CB 0.524 31.606 31.700 -1.030 0.000 0.955 146 D N 3.909 124.334 120.400 0.042 0.000 2.339 146 D HA 0.066 nan 4.640 nan 0.000 0.245 146 D C 0.125 176.404 176.300 -0.035 0.000 1.115 146 D CA -0.088 53.894 54.000 -0.031 0.000 0.917 146 D CB 0.822 41.527 40.800 -0.159 0.000 1.192 146 D HN -0.012 8.488 8.370 0.215 0.000 0.428 147 A N -0.578 122.259 122.820 0.028 0.000 2.195 147 A HA 0.061 nan 4.320 nan 0.000 0.210 147 A C -0.598 176.994 177.584 0.013 0.000 1.165 147 A CA 1.335 53.376 52.037 0.006 0.000 0.806 147 A CB 0.495 19.420 19.000 -0.126 0.000 0.847 147 A HN 0.166 8.367 8.150 0.086 0.000 0.482 148 D N -4.066 116.358 120.400 0.039 0.000 2.690 148 D HA 0.010 nan 4.640 nan 0.000 0.236 148 D C -1.038 175.250 176.300 -0.019 0.000 1.218 148 D CA -0.509 53.529 54.000 0.063 0.000 0.829 148 D CB -1.816 39.037 40.800 0.089 0.000 1.009 148 D HN 0.181 8.564 8.370 0.022 0.000 0.482 149 K N -1.175 119.197 120.400 -0.047 0.000 2.263 149 K HA 0.279 nan 4.320 nan 0.000 0.249 149 K C -2.013 174.643 176.600 0.093 0.000 1.076 149 K CA -1.875 54.364 56.287 -0.080 0.000 0.884 149 K CB 2.719 34.932 32.500 -0.478 0.000 1.394 149 K HN -0.704 7.478 8.250 0.003 0.070 0.476 150 D N -4.194 116.302 120.400 0.161 0.000 2.588 150 D HA 0.153 nan 4.640 nan 0.000 0.268 150 D C 0.423 176.894 176.300 0.285 0.000 1.176 150 D CA -1.290 52.840 54.000 0.216 0.000 1.080 150 D CB 1.818 42.728 40.800 0.184 0.000 1.186 150 D HN -0.199 8.260 8.370 0.148 0.000 0.619 151 A N -1.932 121.049 122.820 0.267 0.000 1.972 151 A HA -0.210 nan 4.320 nan 0.000 0.219 151 A C 1.957 179.728 177.584 0.313 0.000 1.169 151 A CA 3.287 55.531 52.037 0.346 0.000 0.635 151 A CB -0.329 18.847 19.000 0.293 0.000 0.810 151 A HN 0.503 8.789 8.150 0.225 0.000 0.446 152 G N -2.259 106.680 108.800 0.232 0.000 2.402 152 G HA2 -0.257 nan 3.960 nan 0.000 0.216 152 G HA3 -0.257 nan 3.960 nan 0.000 0.216 152 G C 0.632 175.679 174.900 0.245 0.000 1.162 152 G CA 1.460 46.674 45.100 0.190 0.000 0.777 152 G HN -0.311 8.224 8.290 0.209 -0.120 0.539 153 Y N 2.950 123.357 120.300 0.178 0.000 2.145 153 Y HA -0.439 nan 4.550 nan 0.000 0.286 153 Y C 1.720 177.783 175.900 0.273 0.000 1.145 153 Y CA 3.941 62.158 58.100 0.195 0.000 1.148 153 Y CB 0.211 38.768 38.460 0.161 0.000 0.981 153 Y HN -0.635 8.111 8.280 0.388 -0.233 0.507 154 V N -0.349 119.824 119.914 0.431 0.000 2.287 154 V HA -0.579 nan 4.120 nan 0.000 0.248 154 V C 1.976 178.366 176.094 0.494 0.000 1.053 154 V CA 4.607 67.184 62.300 0.461 0.000 1.027 154 V CB -1.123 30.979 31.823 0.466 0.000 0.646 154 V HN -0.168 8.329 8.190 0.512 0.000 0.447 155 R N -1.796 118.960 120.500 0.426 0.000 2.083 155 R HA -0.427 nan 4.340 nan 0.000 0.237 155 R C 2.080 178.517 176.300 0.229 0.000 1.137 155 R CA 3.887 60.194 56.100 0.346 0.000 0.951 155 R CB -0.186 30.230 30.300 0.193 0.000 0.851 155 R HN -0.036 8.490 8.270 0.427 0.000 0.434 156 T N 1.603 116.242 114.554 0.141 0.000 2.746 156 T HA -0.269 nan 4.350 nan 0.000 0.267 156 T C 1.973 176.664 174.700 -0.016 0.000 1.039 156 T CA 4.884 67.015 62.100 0.052 0.000 1.142 156 T CB -0.551 68.334 68.868 0.028 0.000 0.866 156 T HN -0.473 7.857 8.240 0.151 0.000 0.444 157 F N 2.782 122.612 119.950 -0.201 0.000 2.069 157 F HA -0.431 nan 4.527 nan 0.000 0.298 157 F C 1.437 177.133 175.800 -0.174 0.000 1.113 157 F CA 3.448 61.266 58.000 -0.305 0.000 1.214 157 F CB 0.277 38.960 39.000 -0.529 0.000 0.978 157 F HN 0.057 8.359 8.300 0.004 0.000 0.474 158 F N -1.669 118.325 119.950 0.073 0.000 2.451 158 F HA -0.320 nan 4.527 nan 0.000 0.299 158 F C 1.849 177.633 175.800 -0.026 0.000 1.101 158 F CA 3.303 61.331 58.000 0.046 0.000 1.436 158 F CB -0.390 38.729 39.000 0.199 0.000 1.074 158 F HN 0.017 8.589 8.300 0.454 0.000 0.553 159 Q N 0.375 120.235 119.800 0.101 0.000 2.181 159 Q HA -0.403 nan 4.340 nan 0.000 0.205 159 Q C 1.951 177.907 176.000 -0.073 0.000 0.980 159 Q CA 3.256 59.081 55.803 0.036 0.000 0.862 159 Q CB -0.526 28.229 28.738 0.030 0.000 0.905 159 Q HN -0.131 8.203 8.270 0.132 0.016 0.429 160 R N -1.526 118.850 120.500 -0.207 0.000 2.193 160 R HA -0.186 nan 4.340 nan 0.000 0.229 160 R C 1.089 177.220 176.300 -0.281 0.000 1.110 160 R CA 2.777 58.682 56.100 -0.325 0.000 0.988 160 R CB 0.042 30.087 30.300 -0.425 0.000 0.871 160 R HN -0.455 7.538 8.270 -0.267 0.117 0.458 161 L N -4.430 116.763 121.223 -0.051 0.000 2.818 161 L HA 0.085 nan 4.340 nan 0.000 0.243 161 L C -1.252 175.829 176.870 0.352 0.000 1.185 161 L CA -1.211 53.813 54.840 0.306 0.000 0.988 161 L CB -0.584 41.665 42.059 0.317 0.000 1.292 161 L HN -0.715 7.304 8.230 -0.088 0.158 0.519 162 N N -1.617 117.201 118.700 0.196 0.000 2.823 162 N HA -0.424 nan 4.740 nan 0.000 0.287 162 N C -0.825 174.781 175.510 0.160 0.000 1.007 162 N CA 0.936 54.080 53.050 0.156 0.000 0.840 162 N CB -1.175 37.388 38.487 0.127 0.000 0.944 162 N HN -0.420 7.851 8.380 0.075 0.154 0.590 163 M N -0.600 119.115 119.600 0.193 0.000 2.238 163 M HA 0.210 nan 4.480 nan 0.000 0.350 163 M C -0.475 175.908 176.300 0.137 0.000 1.138 163 M CA -1.675 53.723 55.300 0.164 0.000 1.040 163 M CB 0.437 33.170 32.600 0.221 0.000 1.639 163 M HN -0.296 8.111 8.290 0.226 0.019 0.451 164 N N 3.852 122.609 118.700 0.095 0.000 2.495 164 N HA 0.135 nan 4.740 nan 0.000 0.294 164 N C -0.033 175.544 175.510 0.113 0.000 1.276 164 N CA -1.129 51.978 53.050 0.096 0.000 0.973 164 N CB 0.680 39.209 38.487 0.069 0.000 1.143 164 N HN 0.442 9.184 8.380 0.077 -0.316 0.589 165 D N 0.097 120.577 120.400 0.134 0.000 2.097 165 D HA -0.283 nan 4.640 nan 0.000 0.195 165 D C 2.403 178.810 176.300 0.178 0.000 0.989 165 D CA 4.373 58.516 54.000 0.237 0.000 0.827 165 D CB -0.303 40.598 40.800 0.169 0.000 0.966 165 D HN 0.346 8.775 8.370 0.098 0.000 0.456 166 R N -0.314 120.254 120.500 0.113 0.000 2.081 166 R HA -0.366 nan 4.340 nan 0.000 0.235 166 R C 2.036 178.412 176.300 0.127 0.000 1.131 166 R CA 3.180 59.347 56.100 0.112 0.000 0.960 166 R CB -0.209 30.146 30.300 0.092 0.000 0.856 166 R HN 0.015 8.398 8.270 0.093 -0.057 0.436 167 E N -0.432 119.808 120.200 0.067 0.000 2.077 167 E HA -0.358 nan 4.350 nan 0.000 0.193 167 E C 2.655 179.194 176.600 -0.102 0.000 0.989 167 E CA 3.136 59.541 56.400 0.009 0.000 0.800 167 E CB -0.164 29.536 29.700 0.000 0.000 0.746 167 E HN -0.488 8.195 8.360 0.065 -0.284 0.452 168 V N 0.702 120.503 119.914 -0.188 0.000 2.295 168 V HA -0.350 nan 4.120 nan 0.000 0.246 168 V C 2.049 177.952 176.094 -0.318 0.000 1.049 168 V CA 4.641 66.652 62.300 -0.481 0.000 1.024 168 V CB -0.850 30.734 31.823 -0.399 0.000 0.648 168 V HN 0.080 8.220 8.190 -0.082 0.000 0.447 169 V N -1.116 118.733 119.914 -0.109 0.000 2.358 169 V HA -0.413 nan 4.120 nan 0.000 0.246 169 V C 1.854 178.137 176.094 0.315 0.000 1.047 169 V CA 4.318 66.651 62.300 0.056 0.000 1.035 169 V CB -1.489 30.398 31.823 0.106 0.000 0.658 169 V HN -0.003 8.161 8.190 -0.044 0.000 0.452 170 A N 0.057 123.104 122.820 0.377 0.000 1.877 170 A HA -0.246 nan 4.320 nan 0.000 0.216 170 A C 2.335 180.173 177.584 0.423 0.000 1.186 170 A CA 3.308 55.607 52.037 0.437 0.000 0.620 170 A CB -0.710 18.449 19.000 0.265 0.000 0.822 170 A HN 0.148 8.479 8.150 0.301 0.000 0.443 171 L N -1.506 119.777 121.223 0.099 0.000 2.083 171 L HA -0.268 nan 4.340 nan 0.000 0.209 171 L C 2.517 179.283 176.870 -0.173 0.000 1.083 171 L CA 2.489 57.316 54.840 -0.021 0.000 0.752 171 L CB -0.566 41.337 42.059 -0.259 0.000 0.899 171 L HN 0.031 8.257 8.230 -0.008 0.000 0.433 172 M N -1.002 118.395 119.600 -0.338 0.000 2.374 172 M HA -0.180 nan 4.480 nan 0.000 0.264 172 M C 2.143 177.822 176.300 -1.036 0.000 1.067 172 M CA 1.589 56.474 55.300 -0.692 0.000 1.103 172 M CB -0.626 31.675 32.600 -0.499 0.000 1.402 172 M HN -0.071 8.065 8.290 -0.257 0.000 0.444 173 G N -1.981 106.482 108.800 -0.561 0.000 2.498 173 G HA2 -0.292 nan 3.960 nan 0.000 0.219 173 G HA3 -0.292 nan 3.960 nan 0.000 0.219 173 G C 0.254 174.714 174.900 -0.733 0.000 1.119 173 G CA 1.649 46.289 45.100 -0.767 0.000 0.766 173 G HN -0.250 7.854 8.290 -0.077 0.139 0.552 174 A N 1.733 124.229 122.820 -0.540 0.000 2.125 174 A HA -0.216 nan 4.320 nan 0.000 0.219 174 A C 1.461 178.691 177.584 -0.590 0.000 1.156 174 A CA 1.987 53.733 52.037 -0.485 0.000 0.671 174 A CB -0.640 18.224 19.000 -0.228 0.000 0.794 174 A HN -0.494 7.435 8.150 -0.318 0.029 0.459 175 H N -1.643 116.761 119.070 -1.110 0.000 2.563 175 H HA -0.225 nan 4.556 nan 0.000 0.272 175 H C 0.209 174.903 175.328 -1.057 0.000 1.005 175 H CA 0.254 55.386 56.048 -1.527 0.000 1.171 175 H CB -0.295 28.152 29.762 -2.193 0.000 1.351 175 H HN -0.177 7.215 8.280 -1.212 0.161 0.602 176 A N -2.022 120.442 122.820 -0.593 0.000 2.076 176 A HA -0.207 nan 4.320 nan 0.000 0.220 176 A C 0.023 177.517 177.584 -0.149 0.000 1.160 176 A CA 1.403 53.268 52.037 -0.286 0.000 0.653 176 A CB 0.237 19.015 19.000 -0.370 0.000 0.801 176 A HN -0.504 7.051 8.150 -0.755 0.142 0.455 177 L N -2.755 118.359 121.223 -0.180 0.000 2.334 177 L HA -0.101 nan 4.340 nan 0.000 0.277 177 L C 0.435 177.384 176.870 0.132 0.000 1.075 177 L CA -0.180 54.647 54.840 -0.023 0.000 0.804 177 L CB 0.502 42.545 42.059 -0.028 0.000 1.174 177 L HN -0.652 7.223 8.230 -0.319 0.165 0.438 178 G N 2.322 111.212 108.800 0.150 0.000 2.547 178 G HA2 -0.329 nan 3.960 nan 0.000 0.271 178 G HA3 -0.329 nan 3.960 nan 0.000 0.271 178 G C -2.540 172.486 174.900 0.211 0.000 1.209 178 G CA 0.768 45.978 45.100 0.183 0.000 0.959 178 G HN 0.677 8.917 8.290 0.102 0.112 0.563 179 K N -2.312 118.157 120.400 0.115 0.000 2.658 179 K HA 0.362 nan 4.320 nan 0.000 0.293 179 K C -2.096 174.209 176.600 -0.493 0.000 1.026 179 K CA -1.719 54.403 56.287 -0.274 0.000 0.871 179 K CB 3.030 35.319 32.500 -0.351 0.000 1.524 179 K HN -0.493 7.867 8.250 0.184 0.000 0.400 180 T N -2.769 111.359 114.554 -0.710 0.000 2.909 180 T HA 0.413 nan 4.350 nan 0.000 0.289 180 T C -0.097 174.295 174.700 -0.513 0.000 1.005 180 T CA -1.373 60.455 62.100 -0.454 0.000 1.084 180 T CB 0.987 69.650 68.868 -0.341 0.000 0.975 180 T HN 0.347 8.065 8.240 -0.871 0.000 0.509 181 H N 2.749 121.800 119.070 -0.030 0.000 2.589 181 H HA 0.424 nan 4.556 nan 0.000 0.335 181 H C -0.067 175.258 175.328 -0.005 0.000 1.019 181 H CA -0.945 55.087 56.048 -0.026 0.000 1.213 181 H CB 1.687 31.436 29.762 -0.022 0.000 1.472 181 H HN 0.383 8.691 8.280 0.046 0.000 0.508 182 L N 6.138 127.395 121.223 0.058 0.000 2.013 182 L HA -0.411 nan 4.340 nan 0.000 0.212 182 L C 0.884 177.768 176.870 0.024 0.000 1.073 182 L CA 4.002 58.852 54.840 0.016 0.000 0.753 182 L CB 0.249 42.299 42.059 -0.015 0.000 0.890 182 L HN 0.252 8.833 8.230 0.027 -0.335 0.432 183 K N -2.526 117.897 120.400 0.040 0.000 2.283 183 K HA -0.295 nan 4.320 nan 0.000 0.202 183 K C 0.972 177.596 176.600 0.040 0.000 1.048 183 K CA 2.489 58.792 56.287 0.027 0.000 0.948 183 K CB -0.456 32.056 32.500 0.019 0.000 0.742 183 K HN 0.238 8.518 8.250 0.050 0.000 0.458 184 N N -2.469 116.276 118.700 0.075 0.000 2.220 184 N HA -0.045 nan 4.740 nan 0.000 0.182 184 N C 0.932 176.500 175.510 0.098 0.000 1.023 184 N CA 2.230 55.328 53.050 0.080 0.000 0.856 184 N CB 0.790 39.342 38.487 0.108 0.000 0.997 184 N HN -0.471 7.842 8.380 0.112 0.135 0.429 185 S N -4.247 111.529 115.700 0.127 0.000 2.666 185 S HA 0.162 nan 4.470 nan 0.000 0.239 185 S C 0.614 175.265 174.600 0.085 0.000 1.031 185 S CA -0.035 58.265 58.200 0.167 0.000 1.015 185 S CB 2.864 66.237 63.200 0.289 0.000 0.981 185 S HN -0.332 8.059 8.310 0.135 0.000 0.547 186 G N 1.769 110.547 108.800 -0.037 0.000 2.148 186 G HA2 -0.364 nan 3.960 nan 0.000 0.254 186 G HA3 -0.364 nan 3.960 nan 0.000 0.254 186 G C -1.322 173.274 174.900 -0.506 0.000 0.981 186 G CA 0.840 45.790 45.100 -0.249 0.000 0.670 186 G HN -0.106 8.185 8.290 0.003 0.000 0.528 187 Y N -1.957 118.329 120.300 -0.023 0.000 2.536 187 Y HA 0.225 nan 4.550 nan 0.000 0.347 187 Y C -1.753 174.084 175.900 -0.105 0.000 1.000 187 Y CA -1.724 56.338 58.100 -0.062 0.000 1.051 187 Y CB 2.850 41.270 38.460 -0.067 0.000 1.259 187 Y HN -0.893 7.378 8.280 0.100 0.068 0.468 188 E N 1.199 121.411 120.200 0.020 0.000 2.278 188 E HA 0.217 nan 4.350 nan 0.000 0.272 188 E C -1.351 175.170 176.600 -0.131 0.000 0.890 188 E CA -1.200 55.153 56.400 -0.078 0.000 0.770 188 E CB 3.202 32.867 29.700 -0.059 0.000 1.212 188 E HN 0.090 8.772 8.360 0.063 -0.285 0.415 189 G N 4.377 113.041 108.800 -0.227 0.000 2.335 189 G HA2 -0.134 nan 3.960 nan 0.000 0.592 189 G HA3 -0.134 nan 3.960 nan 0.000 0.592 189 G C -3.249 171.433 174.900 -0.363 0.000 1.442 189 G CA -0.620 44.349 45.100 -0.218 0.000 0.976 189 G HN -0.143 7.975 8.290 -0.286 0.000 0.652 190 P HA 0.426 nan 4.420 nan 0.000 0.278 190 P C -0.020 177.180 177.300 -0.166 0.000 1.258 190 P CA -1.096 61.889 63.100 -0.192 0.000 0.811 190 P CB 1.149 32.841 31.700 -0.014 0.000 1.063 191 W N -1.270 120.009 121.300 -0.035 0.000 3.003 191 W HA -0.023 nan 4.660 nan 0.000 0.257 191 W C -0.232 176.141 176.519 -0.242 0.000 1.308 191 W CA 1.031 58.365 57.345 -0.018 0.000 1.529 191 W CB 0.771 30.251 29.460 0.033 0.000 1.115 191 W HN 0.433 8.829 8.180 0.361 0.000 0.659 192 G N -5.266 103.391 108.800 -0.238 0.000 2.554 192 G HA2 0.186 nan 3.960 nan 0.000 0.306 192 G HA3 0.186 nan 3.960 nan 0.000 0.306 192 G C -1.961 172.673 174.900 -0.443 0.000 1.320 192 G CA 0.142 44.790 45.100 -0.754 0.000 0.800 192 G HN -0.925 7.289 8.290 -0.048 0.047 0.481 193 A N -1.065 121.582 122.820 -0.288 0.000 1.911 193 A HA 0.128 nan 4.320 nan 0.000 0.212 193 A C 0.860 178.451 177.584 0.012 0.000 1.189 193 A CA 1.566 53.609 52.037 0.010 0.000 0.639 193 A CB 1.185 20.250 19.000 0.109 0.000 0.839 193 A HN 0.160 8.368 8.150 -0.394 -0.294 0.449 194 A N -0.374 122.438 122.820 -0.012 0.000 3.168 194 A HA 0.196 nan 4.320 nan 0.000 0.260 194 A C -1.183 176.406 177.584 0.009 0.000 1.598 194 A CA -1.154 50.889 52.037 0.011 0.000 1.285 194 A CB -1.815 17.192 19.000 0.012 0.000 1.149 194 A HN -0.401 7.984 8.150 -0.045 -0.263 0.630 195 N N -1.738 116.976 118.700 0.023 0.000 2.421 195 N HA -0.171 nan 4.740 nan 0.000 0.201 195 N C -0.849 174.690 175.510 0.049 0.000 1.198 195 N CA 1.059 54.130 53.050 0.035 0.000 0.838 195 N CB -0.255 38.268 38.487 0.060 0.000 1.011 195 N HN -0.317 8.011 8.380 0.028 0.069 0.463 196 N N -3.397 115.335 118.700 0.053 0.000 2.387 196 N HA 0.100 nan 4.740 nan 0.000 0.259 196 N C -1.560 173.993 175.510 0.073 0.000 1.369 196 N CA -0.795 52.294 53.050 0.065 0.000 0.867 196 N CB -0.502 38.029 38.487 0.073 0.000 1.341 196 N HN -0.183 8.170 8.380 0.051 0.058 0.495 197 V N -0.145 119.810 119.914 0.069 0.000 2.588 197 V HA 0.323 nan 4.120 nan 0.000 0.304 197 V C -1.909 174.248 176.094 0.105 0.000 1.042 197 V CA -0.588 61.770 62.300 0.096 0.000 0.877 197 V CB 2.250 34.124 31.823 0.085 0.000 0.996 197 V HN -0.740 7.479 8.190 0.047 0.000 0.425 198 F N 9.184 129.136 119.950 0.004 0.000 2.434 198 F HA 0.146 nan 4.527 nan 0.000 0.358 198 F C -0.959 174.951 175.800 0.183 0.000 1.136 198 F CA 0.408 58.398 58.000 -0.017 0.000 1.157 198 F CB 0.372 39.256 39.000 -0.193 0.000 1.167 198 F HN 0.607 9.064 8.300 0.262 0.000 0.539 199 T N 2.751 117.287 114.554 -0.031 0.000 2.762 199 T HA 0.258 nan 4.350 nan 0.000 0.288 199 T C -1.159 173.584 174.700 0.072 0.000 1.079 199 T CA -2.262 59.933 62.100 0.158 0.000 1.016 199 T CB 2.861 71.771 68.868 0.069 0.000 1.322 199 T HN -0.372 7.705 8.240 -0.272 0.000 0.525 200 N N -2.163 116.592 118.700 0.091 0.000 2.413 200 N HA -0.042 nan 4.740 nan 0.000 0.207 200 N C 0.841 176.316 175.510 -0.058 0.000 1.206 200 N CA 0.028 53.053 53.050 -0.040 0.000 0.832 200 N CB -1.626 36.901 38.487 0.067 0.000 1.037 200 N HN 0.283 8.718 8.380 0.090 0.000 0.467 201 E N 1.177 121.319 120.200 -0.097 0.000 2.118 201 E HA -0.391 nan 4.350 nan 0.000 0.195 201 E C 0.943 177.477 176.600 -0.110 0.000 0.992 201 E CA 3.028 59.379 56.400 -0.082 0.000 0.804 201 E CB -0.255 29.392 29.700 -0.087 0.000 0.741 201 E HN -0.586 7.609 8.360 -0.099 0.106 0.458 202 F N -0.200 119.492 119.950 -0.431 0.000 2.120 202 F HA -0.417 nan 4.527 nan 0.000 0.300 202 F C 1.566 177.102 175.800 -0.441 0.000 1.095 202 F CA 3.555 61.248 58.000 -0.512 0.000 1.249 202 F CB -0.152 38.339 39.000 -0.848 0.000 0.995 202 F HN -0.076 8.082 8.300 -0.236 0.000 0.480 203 Y N -2.958 117.256 120.300 -0.145 0.000 2.184 203 Y HA -0.382 nan 4.550 nan 0.000 0.290 203 Y C 2.180 177.994 175.900 -0.143 0.000 1.129 203 Y CA 3.775 61.758 58.100 -0.195 0.000 1.144 203 Y CB -0.631 37.760 38.460 -0.115 0.000 0.995 203 Y HN -0.748 7.232 8.280 -0.469 0.018 0.513 204 L N -1.103 120.155 121.223 0.059 0.000 2.017 204 L HA -0.570 nan 4.340 nan 0.000 0.208 204 L C 2.120 179.017 176.870 0.046 0.000 1.073 204 L CA 3.248 58.112 54.840 0.041 0.000 0.745 204 L CB -0.617 41.462 42.059 0.034 0.000 0.894 204 L HN -0.647 7.627 8.230 0.073 0.000 0.432 205 N N -0.752 117.973 118.700 0.042 0.000 2.120 205 N HA -0.301 nan 4.740 nan 0.000 0.188 205 N C 2.474 178.184 175.510 0.334 0.000 1.024 205 N CA 2.955 56.112 53.050 0.178 0.000 0.852 205 N CB -0.529 38.084 38.487 0.210 0.000 1.003 205 N HN -0.056 8.319 8.380 -0.007 0.000 0.424 206 L N -0.095 121.164 121.223 0.060 0.000 2.079 206 L HA -0.244 nan 4.340 nan 0.000 0.210 206 L C 2.082 179.019 176.870 0.112 0.000 1.081 206 L CA 3.126 57.954 54.840 -0.020 0.000 0.752 206 L CB -0.073 41.700 42.059 -0.476 0.000 0.896 206 L HN -0.149 7.982 8.230 -0.166 0.000 0.433 207 L N -2.964 118.291 121.223 0.053 0.000 2.270 207 L HA -0.259 nan 4.340 nan 0.000 0.210 207 L C 1.367 178.279 176.870 0.069 0.000 1.104 207 L CA 2.287 57.153 54.840 0.042 0.000 0.804 207 L CB 0.037 42.102 42.059 0.010 0.000 0.937 207 L HN 0.019 8.260 8.230 0.019 0.000 0.450 208 N N -4.051 114.697 118.700 0.080 0.000 2.220 208 N HA 0.042 nan 4.740 nan 0.000 0.195 208 N C -0.269 175.221 175.510 -0.034 0.000 1.123 208 N CA 0.220 53.287 53.050 0.028 0.000 0.874 208 N CB 1.393 39.892 38.487 0.022 0.000 0.995 208 N HN -0.112 8.332 8.380 0.107 0.000 0.498 209 E N 0.074 120.220 120.200 -0.090 0.000 2.319 209 E HA 0.052 nan 4.350 nan 0.000 0.268 209 E C -0.840 175.470 176.600 -0.483 0.000 1.050 209 E CA -0.475 55.666 56.400 -0.431 0.000 0.878 209 E CB 1.014 30.146 29.700 -0.947 0.000 1.066 209 E HN -0.707 7.699 8.360 0.076 0.000 0.406 210 D N 3.428 123.578 120.400 -0.416 0.000 2.483 210 D HA 0.043 nan 4.640 nan 0.000 0.220 210 D C -1.048 175.113 176.300 -0.232 0.000 1.173 210 D CA -1.378 52.494 54.000 -0.212 0.000 0.964 210 D CB -0.699 40.020 40.800 -0.134 0.000 1.046 210 D HN 0.243 8.378 8.370 -0.392 0.000 0.517 211 W N 1.958 123.346 121.300 0.148 0.000 2.304 211 W HA 0.007 nan 4.660 nan 0.000 0.313 211 W C -0.632 176.069 176.519 0.304 0.000 1.323 211 W CA -0.885 56.598 57.345 0.230 0.000 1.223 211 W CB 0.742 30.369 29.460 0.278 0.000 1.237 211 W HN -0.597 7.640 8.180 0.094 0.000 0.535 212 K N 3.804 124.475 120.400 0.451 0.000 2.274 212 K HA 0.319 nan 4.320 nan 0.000 0.262 212 K C -1.408 175.218 176.600 0.043 0.000 0.961 212 K CA -1.769 54.666 56.287 0.246 0.000 0.833 212 K CB 2.910 35.467 32.500 0.095 0.000 1.102 212 K HN 0.826 9.208 8.250 0.407 0.112 0.436 213 L N 6.636 127.643 121.223 -0.360 0.000 2.418 213 L HA 0.116 nan 4.340 nan 0.000 0.274 213 L C -0.943 175.681 176.870 -0.409 0.000 1.135 213 L CA 0.500 54.829 54.840 -0.850 0.000 0.870 213 L CB 0.475 41.786 42.059 -1.248 0.000 1.154 213 L HN 0.519 8.617 8.230 -0.222 0.000 0.462 214 E N 6.720 126.721 120.200 -0.331 0.000 2.393 214 E HA 0.365 nan 4.350 nan 0.000 0.273 214 E C -1.677 174.822 176.600 -0.169 0.000 0.918 214 E CA -1.950 54.336 56.400 -0.191 0.000 0.773 214 E CB 4.213 33.847 29.700 -0.110 0.000 1.275 214 E HN 0.650 8.778 8.360 -0.386 0.000 0.451 215 K N 0.957 121.282 120.400 -0.126 0.000 2.143 215 K HA 0.305 nan 4.320 nan 0.000 0.272 215 K C -0.473 176.074 176.600 -0.088 0.000 1.001 215 K CA -0.115 56.108 56.287 -0.106 0.000 0.915 215 K CB 1.171 33.616 32.500 -0.093 0.000 1.047 215 K HN 0.324 8.505 8.250 -0.114 0.000 0.458 216 N N 5.280 123.925 118.700 -0.092 0.000 2.538 216 N HA 0.178 nan 4.740 nan 0.000 0.292 216 N C 0.774 176.232 175.510 -0.087 0.000 1.262 216 N CA -1.055 51.946 53.050 -0.083 0.000 0.976 216 N CB 0.602 39.038 38.487 -0.085 0.000 1.161 216 N HN 0.397 8.714 8.380 -0.105 0.000 0.598 217 D N -1.656 118.698 120.400 -0.077 0.000 2.309 217 D HA -0.210 nan 4.640 nan 0.000 0.212 217 D C 0.117 176.368 176.300 -0.082 0.000 0.968 217 D CA 2.944 56.902 54.000 -0.070 0.000 0.882 217 D CB -0.571 40.196 40.800 -0.055 0.000 0.918 217 D HN 0.527 8.856 8.370 -0.069 0.000 0.503 218 A N -2.447 120.304 122.820 -0.114 0.000 2.307 218 A HA 0.004 nan 4.320 nan 0.000 0.218 218 A C -0.378 177.128 177.584 -0.130 0.000 1.228 218 A CA -0.164 51.797 52.037 -0.127 0.000 0.857 218 A CB 0.365 19.259 19.000 -0.178 0.000 0.897 218 A HN -0.338 7.956 8.150 -0.134 -0.224 0.495 219 N N -5.053 113.577 118.700 -0.117 0.000 2.829 219 N HA -0.471 nan 4.740 nan 0.000 0.250 219 N C -1.429 174.007 175.510 -0.123 0.000 1.090 219 N CA 1.369 54.357 53.050 -0.103 0.000 0.781 219 N CB -1.331 37.108 38.487 -0.079 0.000 1.124 219 N HN 0.079 8.217 8.380 -0.110 0.177 0.559 220 N N -0.452 118.140 118.700 -0.180 0.000 2.466 220 N HA 0.212 nan 4.740 nan 0.000 0.294 220 N C -1.496 173.947 175.510 -0.112 0.000 1.129 220 N CA -0.430 52.504 53.050 -0.194 0.000 0.931 220 N CB 2.170 40.368 38.487 -0.482 0.000 1.193 220 N HN -0.570 7.895 8.380 -0.204 -0.207 0.500 221 E N 0.665 120.843 120.200 -0.036 0.000 2.301 221 E HA 0.252 nan 4.350 nan 0.000 0.275 221 E C -0.891 175.731 176.600 0.036 0.000 1.030 221 E CA -0.029 56.334 56.400 -0.061 0.000 0.852 221 E CB 1.267 30.890 29.700 -0.129 0.000 1.060 221 E HN 0.316 8.672 8.360 -0.007 0.000 0.401 222 Q N -1.508 118.242 119.800 -0.082 0.000 2.462 222 Q HA 0.503 nan 4.340 nan 0.000 0.285 222 Q C -1.614 174.255 176.000 -0.218 0.000 1.035 222 Q CA -2.087 53.692 55.803 -0.039 0.000 0.799 222 Q CB 2.964 31.784 28.738 0.136 0.000 1.452 222 Q HN 0.719 8.894 8.270 -0.158 0.000 0.404 223 W N 0.124 121.392 121.300 -0.053 0.000 2.332 223 W HA 0.117 nan 4.660 nan 0.000 0.306 223 W C -0.810 175.845 176.519 0.227 0.000 1.149 223 W CA 0.001 57.332 57.345 -0.023 0.000 1.271 223 W CB 0.635 29.932 29.460 -0.272 0.000 1.243 223 W HN 0.507 8.814 8.180 0.212 0.000 0.459 224 D N 5.356 126.011 120.400 0.426 0.000 2.185 224 D HA 0.731 nan 4.640 nan 0.000 0.247 224 D C -0.781 175.690 176.300 0.286 0.000 1.027 224 D CA -0.978 53.239 54.000 0.361 0.000 0.861 224 D CB 3.186 44.065 40.800 0.131 0.000 1.202 224 D HN 0.715 9.151 8.370 0.269 0.095 0.453 225 S N 1.640 117.366 115.700 0.044 0.000 2.664 225 S HA 0.630 nan 4.470 nan 0.000 0.304 225 S C 1.212 175.658 174.600 -0.257 0.000 1.099 225 S CA -1.657 56.354 58.200 -0.315 0.000 1.003 225 S CB 2.990 65.684 63.200 -0.844 0.000 1.092 225 S HN 0.432 8.824 8.310 0.136 0.000 0.525 226 K N 4.320 124.564 120.400 -0.260 0.000 2.127 226 K HA -0.309 nan 4.320 nan 0.000 0.208 226 K C 1.690 178.125 176.600 -0.274 0.000 1.047 226 K CA 2.782 58.940 56.287 -0.216 0.000 0.927 226 K CB -0.348 32.040 32.500 -0.186 0.000 0.716 226 K HN 0.757 8.852 8.250 -0.259 0.000 0.450 227 S N -3.449 111.996 115.700 -0.426 0.000 2.537 227 S HA -0.137 nan 4.470 nan 0.000 0.240 227 S C 0.239 174.452 174.600 -0.645 0.000 0.981 227 S CA 1.101 58.935 58.200 -0.609 0.000 0.948 227 S CB 0.283 62.860 63.200 -1.038 0.000 0.759 227 S HN -0.095 7.932 8.310 -0.451 0.013 0.531 228 G N -1.151 107.397 108.800 -0.419 0.000 2.141 228 G HA2 -0.322 nan 3.960 nan 0.000 0.231 228 G HA3 -0.322 nan 3.960 nan 0.000 0.231 228 G C -0.387 174.481 174.900 -0.053 0.000 0.984 228 G CA 0.229 45.202 45.100 -0.212 0.000 0.660 228 G HN -0.358 7.557 8.290 -0.334 0.175 0.525 229 Y N -1.490 118.823 120.300 0.021 0.000 2.488 229 Y HA 0.376 nan 4.550 nan 0.000 0.325 229 Y C -1.345 174.718 175.900 0.271 0.000 1.204 229 Y CA -3.173 55.002 58.100 0.124 0.000 1.229 229 Y CB 1.347 39.940 38.460 0.222 0.000 1.274 229 Y HN -0.878 7.095 8.280 -0.424 0.052 0.493 230 M N -1.993 117.840 119.600 0.388 0.000 2.658 230 M HA 0.744 nan 4.480 nan 0.000 0.295 230 M C -1.623 174.687 176.300 0.017 0.000 1.248 230 M CA -1.498 53.957 55.300 0.260 0.000 0.843 230 M CB 4.180 36.783 32.600 0.005 0.000 1.749 230 M HN 0.526 8.962 8.290 0.244 0.000 0.464 231 M N -1.266 118.299 119.600 -0.059 0.000 2.326 231 M HA 0.494 nan 4.480 nan 0.000 0.292 231 M C -1.620 174.733 176.300 0.087 0.000 1.081 231 M CA -1.402 53.855 55.300 -0.073 0.000 0.919 231 M CB 3.818 36.128 32.600 -0.483 0.000 1.634 231 M HN 0.795 9.132 8.290 0.078 0.000 0.451 232 L N 2.722 124.027 121.223 0.138 0.000 2.452 232 L HA 0.170 nan 4.340 nan 0.000 0.267 232 L C -0.935 176.045 176.870 0.184 0.000 1.188 232 L CA -1.251 53.608 54.840 0.031 0.000 0.821 232 L CB -1.024 41.009 42.059 -0.043 0.000 1.102 232 L HN 0.094 8.767 8.230 0.297 -0.265 0.470 233 P HA -0.320 nan 4.420 nan 0.000 0.216 233 P C 1.111 178.548 177.300 0.229 0.000 1.154 233 P CA 3.199 66.477 63.100 0.296 0.000 0.865 233 P CB -0.005 31.823 31.700 0.214 0.000 0.789 234 T N -6.672 107.981 114.554 0.165 0.000 2.867 234 T HA -0.290 nan 4.350 nan 0.000 0.268 234 T C 1.962 176.759 174.700 0.162 0.000 1.057 234 T CA 3.783 65.988 62.100 0.175 0.000 1.136 234 T CB -0.854 68.120 68.868 0.176 0.000 0.874 234 T HN -0.273 8.039 8.240 0.119 0.000 0.466 235 D N 2.445 122.957 120.400 0.187 0.000 2.103 235 D HA -0.190 nan 4.640 nan 0.000 0.199 235 D C 2.004 178.302 176.300 -0.004 0.000 0.978 235 D CA 3.109 57.222 54.000 0.189 0.000 0.829 235 D CB -0.374 40.612 40.800 0.310 0.000 0.981 235 D HN -0.481 7.910 8.370 0.199 0.099 0.464 236 Y N 1.725 121.906 120.300 -0.199 0.000 2.274 236 Y HA -0.400 nan 4.550 nan 0.000 0.290 236 Y C 1.824 177.579 175.900 -0.242 0.000 1.145 236 Y CA 3.283 61.126 58.100 -0.428 0.000 1.203 236 Y CB 0.147 38.139 38.460 -0.779 0.000 0.984 236 Y HN -0.181 8.178 8.280 0.132 0.000 0.533 237 S N 0.881 116.602 115.700 0.035 0.000 2.407 237 S HA -0.439 nan 4.470 nan 0.000 0.235 237 S C 1.265 175.889 174.600 0.040 0.000 1.036 237 S CA 4.530 62.775 58.200 0.075 0.000 1.013 237 S CB -0.584 62.723 63.200 0.178 0.000 0.820 237 S HN 0.127 8.513 8.310 0.134 0.004 0.476 238 L N -2.712 118.481 121.223 -0.049 0.000 2.362 238 L HA -0.242 nan 4.340 nan 0.000 0.219 238 L C 0.467 177.295 176.870 -0.070 0.000 1.134 238 L CA 2.201 57.013 54.840 -0.046 0.000 0.807 238 L CB -0.178 41.815 42.059 -0.112 0.000 0.927 238 L HN -0.579 7.466 8.230 -0.076 0.139 0.447 239 I N -9.565 110.855 120.570 -0.251 0.000 3.968 239 I HA 0.059 nan 4.170 nan 0.000 0.328 239 I C 0.801 176.783 176.117 -0.225 0.000 1.290 239 I CA 0.392 61.530 61.300 -0.270 0.000 1.163 239 I CB 0.471 38.209 38.000 -0.436 0.000 1.024 239 I HN -0.256 7.598 8.210 -0.383 0.127 0.413 240 Q N 0.327 120.019 119.800 -0.179 0.000 2.250 240 Q HA -0.104 nan 4.340 nan 0.000 0.200 240 Q C 0.397 176.394 176.000 -0.005 0.000 0.941 240 Q CA 1.266 57.025 55.803 -0.074 0.000 0.872 240 Q CB 0.852 29.583 28.738 -0.011 0.000 0.965 240 Q HN -0.486 7.552 8.270 -0.190 0.118 0.480 241 D N 0.445 120.870 120.400 0.041 0.000 2.277 241 D HA 0.319 nan 4.640 nan 0.000 0.249 241 D C -0.945 175.347 176.300 -0.012 0.000 1.134 241 D CA -2.640 51.369 54.000 0.016 0.000 0.863 241 D CB 2.262 43.069 40.800 0.011 0.000 1.143 241 D HN -0.571 7.846 8.370 0.078 0.000 0.458 242 P HA -0.140 nan 4.420 nan 0.000 0.217 242 P C 1.396 178.668 177.300 -0.046 0.000 1.150 242 P CA 2.102 65.178 63.100 -0.040 0.000 0.832 242 P CB 0.493 32.169 31.700 -0.039 0.000 0.787 243 K N -1.035 119.313 120.400 -0.087 0.000 2.025 243 K HA -0.231 nan 4.320 nan 0.000 0.207 243 K C 2.823 179.425 176.600 0.003 0.000 1.049 243 K CA 3.076 59.312 56.287 -0.086 0.000 0.933 243 K CB -0.316 32.084 32.500 -0.166 0.000 0.714 243 K HN -0.624 7.653 8.250 -0.121 -0.100 0.438 244 Y N -1.306 118.972 120.300 -0.037 0.000 2.181 244 Y HA -0.275 nan 4.550 nan 0.000 0.288 244 Y C 2.292 178.149 175.900 -0.072 0.000 1.146 244 Y CA 1.078 59.153 58.100 -0.041 0.000 1.164 244 Y CB -0.517 37.934 38.460 -0.015 0.000 0.982 244 Y HN -0.576 7.936 8.280 -0.085 -0.283 0.515 245 L N -1.047 120.225 121.223 0.082 0.000 2.079 245 L HA -0.403 nan 4.340 nan 0.000 0.210 245 L C 1.594 178.434 176.870 -0.050 0.000 1.081 245 L CA 3.078 57.911 54.840 -0.012 0.000 0.752 245 L CB -0.430 41.608 42.059 -0.036 0.000 0.896 245 L HN 0.236 8.524 8.230 0.096 0.000 0.433 246 S N 0.025 115.694 115.700 -0.052 0.000 2.399 246 S HA -0.317 nan 4.470 nan 0.000 0.231 246 S C 2.443 176.952 174.600 -0.151 0.000 1.022 246 S CA 3.894 62.043 58.200 -0.085 0.000 0.983 246 S CB -0.819 62.339 63.200 -0.071 0.000 0.803 246 S HN -0.438 7.853 8.310 -0.031 0.000 0.480 247 I N 2.300 122.768 120.570 -0.171 0.000 2.286 247 I HA -0.315 nan 4.170 nan 0.000 0.245 247 I C 1.534 177.350 176.117 -0.501 0.000 1.104 247 I CA 3.167 64.245 61.300 -0.370 0.000 1.397 247 I CB -0.247 37.592 38.000 -0.267 0.000 1.072 247 I HN -0.924 7.232 8.210 -0.090 0.000 0.417 248 V N 0.973 120.736 119.914 -0.250 0.000 2.282 248 V HA -0.602 nan 4.120 nan 0.000 0.249 248 V C 1.942 177.916 176.094 -0.199 0.000 1.057 248 V CA 5.127 67.325 62.300 -0.170 0.000 1.032 248 V CB -1.225 30.595 31.823 -0.005 0.000 0.645 248 V HN 0.200 8.309 8.190 -0.134 0.000 0.447 249 K N -2.140 118.167 120.400 -0.156 0.000 2.097 249 K HA -0.423 nan 4.320 nan 0.000 0.206 249 K C 2.134 178.652 176.600 -0.138 0.000 1.049 249 K CA 3.757 59.974 56.287 -0.116 0.000 0.933 249 K CB -0.453 31.994 32.500 -0.089 0.000 0.717 249 K HN -0.150 8.016 8.250 -0.139 0.000 0.442 250 E N -0.138 119.927 120.200 -0.224 0.000 2.051 250 E HA -0.317 nan 4.350 nan 0.000 0.192 250 E C 2.708 179.241 176.600 -0.113 0.000 0.991 250 E CA 3.149 59.424 56.400 -0.208 0.000 0.799 250 E CB 0.011 29.507 29.700 -0.339 0.000 0.748 250 E HN -0.658 7.463 8.360 -0.270 0.077 0.449 251 Y N -2.570 117.564 120.300 -0.277 0.000 2.314 251 Y HA -0.209 nan 4.550 nan 0.000 0.293 251 Y C 1.830 177.563 175.900 -0.279 0.000 1.129 251 Y CA 0.653 58.523 58.100 -0.383 0.000 1.201 251 Y CB -0.584 37.267 38.460 -1.016 0.000 0.999 251 Y HN -0.353 7.598 8.280 -0.549 0.000 0.541 252 A N -1.388 121.389 122.820 -0.072 0.000 1.933 252 A HA -0.199 nan 4.320 nan 0.000 0.218 252 A C 1.150 178.741 177.584 0.012 0.000 1.175 252 A CA 2.249 54.300 52.037 0.023 0.000 0.628 252 A CB -0.147 18.869 19.000 0.026 0.000 0.814 252 A HN -0.029 8.027 8.150 -0.156 0.000 0.444 253 N N -4.166 114.531 118.700 -0.005 0.000 2.422 253 N HA -0.068 nan 4.740 nan 0.000 0.181 253 N C -0.487 175.030 175.510 0.011 0.000 1.080 253 N CA 1.159 54.209 53.050 -0.000 0.000 0.893 253 N CB 1.152 39.631 38.487 -0.012 0.000 0.973 253 N HN -0.453 7.911 8.380 -0.027 0.000 0.456 254 D N -0.348 120.074 120.400 0.036 0.000 2.328 254 D HA 0.261 nan 4.640 nan 0.000 0.243 254 D C -0.947 175.394 176.300 0.068 0.000 1.324 254 D CA -0.537 53.489 54.000 0.044 0.000 0.966 254 D CB 1.007 41.842 40.800 0.058 0.000 1.324 254 D HN -0.531 7.756 8.370 0.048 0.112 0.549 255 Q N 4.831 124.629 119.800 -0.003 0.000 2.135 255 Q HA -0.395 nan 4.340 nan 0.000 0.204 255 Q C 1.165 177.048 176.000 -0.195 0.000 0.981 255 Q CA 3.612 59.375 55.803 -0.067 0.000 0.856 255 Q CB 0.172 28.780 28.738 -0.216 0.000 0.902 255 Q HN 0.509 8.766 8.270 -0.022 0.000 0.425 256 D N -1.311 118.993 120.400 -0.160 0.000 2.117 256 D HA -0.268 nan 4.640 nan 0.000 0.197 256 D C 2.015 178.339 176.300 0.040 0.000 0.987 256 D CA 3.350 57.294 54.000 -0.094 0.000 0.829 256 D CB -0.539 40.234 40.800 -0.045 0.000 0.961 256 D HN -0.180 8.175 8.370 -0.124 -0.059 0.460 257 K N 0.253 120.704 120.400 0.084 0.000 2.057 257 K HA -0.214 nan 4.320 nan 0.000 0.207 257 K C 1.944 178.635 176.600 0.151 0.000 1.049 257 K CA 2.172 58.551 56.287 0.153 0.000 0.931 257 K CB -0.336 32.288 32.500 0.206 0.000 0.714 257 K HN -0.771 7.768 8.250 0.070 -0.247 0.440 258 F N 1.291 121.191 119.950 -0.082 0.000 2.095 258 F HA -0.389 nan 4.527 nan 0.000 0.298 258 F C 1.635 177.470 175.800 0.058 0.000 1.104 258 F CA 2.694 60.430 58.000 -0.442 0.000 1.232 258 F CB -0.245 38.549 39.000 -0.343 0.000 0.987 258 F HN -0.301 8.141 8.300 0.238 0.000 0.475 259 F N -1.246 118.490 119.950 -0.356 0.000 2.095 259 F HA -0.449 nan 4.527 nan 0.000 0.298 259 F C 2.328 178.027 175.800 -0.168 0.000 1.104 259 F CA 1.918 59.728 58.000 -0.318 0.000 1.232 259 F CB -0.894 38.038 39.000 -0.114 0.000 0.987 259 F HN 0.325 8.739 8.300 0.189 0.000 0.475 260 K N -0.195 120.270 120.400 0.109 0.000 2.026 260 K HA -0.435 nan 4.320 nan 0.000 0.208 260 K C 2.056 178.672 176.600 0.027 0.000 1.048 260 K CA 3.764 60.088 56.287 0.060 0.000 0.929 260 K CB -0.210 32.334 32.500 0.074 0.000 0.713 260 K HN -0.209 8.129 8.250 0.146 0.000 0.439 261 D N -0.566 119.850 120.400 0.028 0.000 2.149 261 D HA -0.190 nan 4.640 nan 0.000 0.201 261 D C 2.297 178.593 176.300 -0.007 0.000 0.972 261 D CA 3.164 57.189 54.000 0.042 0.000 0.835 261 D CB -0.346 40.542 40.800 0.146 0.000 0.966 261 D HN -0.333 8.056 8.370 0.033 0.000 0.476 262 F N 1.210 121.028 119.950 -0.220 0.000 2.134 262 F HA -0.366 nan 4.527 nan 0.000 0.299 262 F C 1.433 177.156 175.800 -0.129 0.000 1.097 262 F CA 3.281 61.148 58.000 -0.223 0.000 1.264 262 F CB 0.554 39.256 39.000 -0.497 0.000 1.001 262 F HN 0.362 8.598 8.300 -0.107 0.000 0.479 263 S N -0.464 115.206 115.700 -0.050 0.000 2.353 263 S HA -0.445 nan 4.470 nan 0.000 0.222 263 S C 2.296 176.846 174.600 -0.083 0.000 1.035 263 S CA 4.168 62.335 58.200 -0.054 0.000 1.025 263 S CB -0.310 62.873 63.200 -0.028 0.000 0.902 263 S HN 0.034 8.343 8.310 -0.002 0.000 0.440 264 K N 0.425 120.783 120.400 -0.070 0.000 2.032 264 K HA -0.318 nan 4.320 nan 0.000 0.209 264 K C 2.195 178.741 176.600 -0.089 0.000 1.048 264 K CA 3.162 59.410 56.287 -0.065 0.000 0.927 264 K CB -0.077 32.402 32.500 -0.034 0.000 0.712 264 K HN -0.664 7.557 8.250 -0.049 0.000 0.441 265 A N -0.982 121.767 122.820 -0.119 0.000 1.930 265 A HA -0.152 nan 4.320 nan 0.000 0.217 265 A C 2.079 179.578 177.584 -0.141 0.000 1.175 265 A CA 2.868 54.831 52.037 -0.122 0.000 0.627 265 A CB -0.700 18.225 19.000 -0.125 0.000 0.815 265 A HN -0.134 7.944 8.150 -0.120 0.000 0.443 266 F N -0.275 119.387 119.950 -0.481 0.000 2.163 266 F HA -0.318 nan 4.527 nan 0.000 0.297 266 F C 1.324 177.016 175.800 -0.179 0.000 1.094 266 F CA 2.320 60.059 58.000 -0.434 0.000 1.290 266 F CB 0.420 38.959 39.000 -0.768 0.000 1.017 266 F HN 0.249 8.339 8.300 -0.350 0.000 0.483 267 E N 0.027 120.133 120.200 -0.155 0.000 2.051 267 E HA -0.529 nan 4.350 nan 0.000 0.192 267 E C 1.891 178.389 176.600 -0.170 0.000 0.991 267 E CA 3.476 59.776 56.400 -0.166 0.000 0.799 267 E CB -0.198 29.437 29.700 -0.108 0.000 0.748 267 E HN -0.362 7.949 8.360 -0.081 0.000 0.449 268 K N -0.818 119.504 120.400 -0.130 0.000 2.063 268 K HA -0.338 nan 4.320 nan 0.000 0.208 268 K C 2.350 178.875 176.600 -0.125 0.000 1.048 268 K CA 3.091 59.311 56.287 -0.112 0.000 0.928 268 K CB -0.065 32.393 32.500 -0.070 0.000 0.713 268 K HN -0.507 7.674 8.250 -0.114 0.000 0.442 269 L N -1.419 119.745 121.223 -0.098 0.000 2.012 269 L HA -0.278 nan 4.340 nan 0.000 0.210 269 L C 1.612 178.415 176.870 -0.110 0.000 1.073 269 L CA 3.000 57.815 54.840 -0.041 0.000 0.748 269 L CB -0.043 42.055 42.059 0.064 0.000 0.891 269 L HN -0.323 7.849 8.230 -0.096 0.000 0.431 270 L N -4.795 116.301 121.223 -0.211 0.000 2.376 270 L HA -0.228 nan 4.340 nan 0.000 0.219 270 L C 1.886 178.680 176.870 -0.126 0.000 1.133 270 L CA 2.505 57.239 54.840 -0.177 0.000 0.816 270 L CB -0.007 41.908 42.059 -0.239 0.000 0.933 270 L HN -0.299 7.751 8.230 -0.300 0.000 0.449 271 E N -2.243 117.871 120.200 -0.145 0.000 2.489 271 E HA -0.021 nan 4.350 nan 0.000 0.204 271 E C -0.077 176.388 176.600 -0.224 0.000 1.006 271 E CA -0.113 56.235 56.400 -0.085 0.000 0.936 271 E CB 0.525 30.223 29.700 -0.003 0.000 1.002 271 E HN -0.166 7.958 8.360 -0.165 0.137 0.488 272 N N 1.091 119.539 118.700 -0.419 0.000 2.357 272 N HA -0.267 nan 4.740 nan 0.000 0.257 272 N C 0.246 175.090 175.510 -1.109 0.000 1.250 272 N CA 1.933 54.429 53.050 -0.923 0.000 0.862 272 N CB -0.208 37.452 38.487 -1.379 0.000 1.066 272 N HN -0.480 7.702 8.380 -0.330 0.000 0.468 273 G N -0.788 107.425 108.800 -0.978 0.000 2.175 273 G HA2 -0.365 nan 3.960 nan 0.000 0.244 273 G HA3 -0.365 nan 3.960 nan 0.000 0.244 273 G C -1.138 173.684 174.900 -0.130 0.000 0.982 273 G CA 0.561 45.472 45.100 -0.316 0.000 0.641 273 G HN 0.321 8.088 8.290 -0.872 0.000 0.527 274 I N 0.876 121.285 120.570 -0.268 0.000 2.378 274 I HA 0.255 nan 4.170 nan 0.000 0.291 274 I C -1.034 174.801 176.117 -0.470 0.000 0.992 274 I CA -1.337 59.729 61.300 -0.391 0.000 1.154 274 I CB 0.821 38.543 38.000 -0.462 0.000 1.315 274 I HN -0.554 7.399 8.210 -0.311 0.070 0.448 275 T N 8.907 123.194 114.554 -0.444 0.000 2.743 275 T HA 0.320 nan 4.350 nan 0.000 0.293 275 T C -1.155 173.270 174.700 -0.459 0.000 0.945 275 T CA -0.287 61.616 62.100 -0.328 0.000 1.030 275 T CB 0.390 69.144 68.868 -0.188 0.000 0.912 275 T HN 0.637 8.633 8.240 -0.405 0.000 0.483 276 F N 7.414 127.321 119.950 -0.072 0.000 2.385 276 F HA 0.335 nan 4.527 nan 0.000 0.360 276 F C -1.876 173.886 175.800 -0.063 0.000 1.122 276 F CA -3.325 54.629 58.000 -0.077 0.000 1.090 276 F CB 0.190 39.120 39.000 -0.117 0.000 1.150 276 F HN 0.228 8.547 8.300 0.032 0.000 0.472 277 P HA 0.055 nan 4.420 nan 0.000 0.269 277 P C 0.495 177.821 177.300 0.044 0.000 1.209 277 P CA -0.769 62.357 63.100 0.043 0.000 0.776 277 P CB 0.818 32.536 31.700 0.030 0.000 0.876 278 K N 1.883 122.294 120.400 0.019 0.000 2.525 278 K HA -0.103 nan 4.320 nan 0.000 0.192 278 K C -0.444 176.154 176.600 -0.002 0.000 1.029 278 K CA 1.745 58.034 56.287 0.003 0.000 1.029 278 K CB -0.168 32.327 32.500 -0.008 0.000 0.814 278 K HN 0.412 8.670 8.250 0.014 0.000 0.503 279 D N -2.668 117.737 120.400 0.008 0.000 2.269 279 D HA -0.137 nan 4.640 nan 0.000 0.208 279 D C -0.443 175.862 176.300 0.008 0.000 0.963 279 D CA 0.014 54.019 54.000 0.009 0.000 0.864 279 D CB -0.353 40.457 40.800 0.017 0.000 0.936 279 D HN -0.255 8.089 8.370 0.014 0.035 0.505 280 A N 1.450 124.278 122.820 0.013 0.000 2.520 280 A HA -0.029 nan 4.320 nan 0.000 0.235 280 A C -1.417 176.127 177.584 -0.067 0.000 1.065 280 A CA -1.533 50.505 52.037 0.001 0.000 0.764 280 A CB -0.301 18.729 19.000 0.050 0.000 1.002 280 A HN -0.515 7.482 8.150 0.023 0.166 0.502 281 P HA -0.061 nan 4.420 nan 0.000 0.266 281 P C -0.937 176.174 177.300 -0.316 0.000 1.195 281 P CA -0.044 62.956 63.100 -0.168 0.000 0.768 281 P CB 0.665 32.273 31.700 -0.152 0.000 0.838 282 S N 2.991 118.532 115.700 -0.265 0.000 2.560 282 S HA -0.017 nan 4.470 nan 0.000 0.276 282 S C -0.934 173.372 174.600 -0.490 0.000 1.350 282 S CA -0.508 57.506 58.200 -0.310 0.000 1.024 282 S CB -0.418 62.658 63.200 -0.207 0.000 0.864 282 S HN 0.001 8.209 8.310 -0.171 0.000 0.536 283 P HA -0.062 nan 4.420 nan 0.000 0.262 283 P C -1.262 175.823 177.300 -0.357 0.000 1.182 283 P CA 0.108 62.909 63.100 -0.499 0.000 0.761 283 P CB 0.344 31.825 31.700 -0.365 0.000 0.795 284 F N 3.896 123.694 119.950 -0.253 0.000 2.443 284 F HA 0.012 nan 4.527 nan 0.000 0.353 284 F C -0.102 175.402 175.800 -0.492 0.000 1.101 284 F CA -0.768 56.999 58.000 -0.388 0.000 1.226 284 F CB 0.685 39.412 39.000 -0.455 0.000 1.140 284 F HN 0.362 8.365 8.300 -0.494 0.000 0.557 285 I N 3.553 123.970 120.570 -0.254 0.000 2.330 285 I HA 0.140 nan 4.170 nan 0.000 0.286 285 I C -0.974 175.020 176.117 -0.204 0.000 1.025 285 I CA -1.521 59.653 61.300 -0.210 0.000 1.197 285 I CB -0.454 37.474 38.000 -0.121 0.000 1.358 285 I HN 0.493 8.559 8.210 -0.239 0.000 0.467 286 F N 6.815 126.789 119.950 0.040 0.000 2.429 286 F HA 0.068 nan 4.527 nan 0.000 0.348 286 F C -0.257 175.356 175.800 -0.310 0.000 1.109 286 F CA -0.760 57.130 58.000 -0.184 0.000 1.232 286 F CB 0.365 39.001 39.000 -0.606 0.000 1.157 286 F HN 0.478 8.691 8.300 -0.145 0.000 0.564 287 K N 3.726 124.091 120.400 -0.057 0.000 2.270 287 K HA 0.142 nan 4.320 nan 0.000 0.276 287 K C 0.091 176.575 176.600 -0.193 0.000 1.023 287 K CA 0.320 56.556 56.287 -0.085 0.000 0.955 287 K CB 0.525 33.025 32.500 -0.001 0.000 0.975 287 K HN 0.051 8.356 8.250 0.092 0.000 0.471 288 T N -2.299 112.249 114.554 -0.011 0.000 2.813 288 T HA 0.128 nan 4.350 nan 0.000 0.297 288 T C 1.551 176.333 174.700 0.137 0.000 1.036 288 T CA -0.764 61.421 62.100 0.141 0.000 1.044 288 T CB 1.176 70.126 68.868 0.136 0.000 0.993 288 T HN 0.069 8.658 8.240 0.012 -0.342 0.535 289 L N 1.035 122.368 121.223 0.184 0.000 2.043 289 L HA -0.451 nan 4.340 nan 0.000 0.212 289 L C 2.025 178.942 176.870 0.078 0.000 1.075 289 L CA 3.825 58.734 54.840 0.115 0.000 0.752 289 L CB -0.532 41.587 42.059 0.100 0.000 0.891 289 L HN -0.114 8.477 8.230 0.265 -0.203 0.432 290 E N -1.085 119.162 120.200 0.078 0.000 2.085 290 E HA -0.364 nan 4.350 nan 0.000 0.194 290 E C 2.780 179.411 176.600 0.052 0.000 0.994 290 E CA 3.006 59.443 56.400 0.061 0.000 0.801 290 E CB -0.501 29.236 29.700 0.063 0.000 0.743 290 E HN 0.197 8.607 8.360 0.093 0.006 0.453 291 E N -2.096 118.136 120.200 0.053 0.000 2.204 291 E HA -0.205 nan 4.350 nan 0.000 0.194 291 E C 1.538 178.160 176.600 0.037 0.000 0.989 291 E CA 2.014 58.438 56.400 0.041 0.000 0.824 291 E CB -0.115 29.607 29.700 0.036 0.000 0.756 291 E HN -0.506 7.804 8.360 0.062 0.087 0.477 292 Q N -3.141 116.683 119.800 0.040 0.000 2.392 292 Q HA 0.010 nan 4.340 nan 0.000 0.203 292 Q C 0.916 176.935 176.000 0.033 0.000 0.917 292 Q CA -0.076 55.748 55.803 0.034 0.000 0.939 292 Q CB 0.978 29.737 28.738 0.034 0.000 1.063 292 Q HN -0.583 7.587 8.270 0.047 0.129 0.516 293 G N -1.549 107.272 108.800 0.036 0.000 2.160 293 G HA2 -0.384 nan 3.960 nan 0.000 0.244 293 G HA3 -0.384 nan 3.960 nan 0.000 0.244 293 G C -1.031 173.889 174.900 0.033 0.000 1.022 293 G CA 0.471 45.590 45.100 0.032 0.000 0.741 293 G HN -0.379 7.767 8.290 0.040 0.168 0.508 294 L N 0.000 121.246 121.223 0.039 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.863 54.840 0.038 0.000 0.813 294 L CB 0.000 42.084 42.059 0.041 0.000 0.961 294 L HN 0.000 8.154 8.230 0.044 0.103 0.502