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 3kou_1_B DATA FIRST_RESID 39 DATA SEQUENCE LNRWHGAGST ADFQKIIQER cDTYTQTIRP GSRSRNcQAI RQAFMSAFIS DATA SEQUENCE KDPcKATKED YNSLINLAPP TVPcGQQVFW SKTKELAHEY AKRRRLMTLE DATA SEQUENCE DTLLGYLADG LRWcGEPGSS DLNIWScPDW RKDcRTNYLS VFWEVLSERF DATA SEQUENCE AESAcNTVRV VLNGSLENAF DSMSIFGRVE APNLRPQVEL EAWLVHDTGK DATA SEQUENCE PPSDScSGSS IRKLKSILDG RNVKFRcMDN LSRDQFLQ 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 39 L HA 0.000 nan 4.340 nan 0.000 0.249 39 L C 0.000 176.528 176.870 -0.570 0.000 1.165 39 L CA 0.000 54.479 54.840 -0.602 0.000 0.813 39 L CB 0.000 41.719 42.059 -0.566 0.000 0.961 40 N N 1.705 120.030 118.700 -0.626 0.000 2.235 40 N HA 0.028 4.769 4.740 0.001 0.000 0.209 40 N C 1.589 176.981 175.510 -0.196 0.000 1.122 40 N CA 0.110 53.105 53.050 -0.091 0.000 0.845 40 N CB 0.276 38.824 38.487 0.101 0.000 1.004 40 N HN 0.359 nan 8.380 nan 0.000 0.499 41 R N -0.772 119.489 120.500 -0.399 0.000 2.341 41 R HA -0.018 4.323 4.340 0.001 0.000 0.213 41 R C -0.436 175.492 176.300 -0.620 0.000 1.082 41 R CA 0.688 56.459 56.100 -0.547 0.000 1.017 41 R CB -0.372 29.509 30.300 -0.697 0.000 0.860 41 R HN 0.112 nan 8.270 nan 0.000 0.473 42 W N -1.938 119.277 121.300 -0.142 0.000 2.869 42 W HA 0.446 5.107 4.660 0.001 0.000 0.345 42 W C 0.871 177.251 176.519 -0.231 0.000 1.191 42 W CA -1.022 56.252 57.345 -0.118 0.000 1.104 42 W CB 0.461 29.934 29.460 0.022 0.000 1.471 42 W HN -0.166 nan 8.180 nan 0.000 0.612 43 H N -0.349 118.886 119.070 0.276 0.000 2.586 43 H HA 0.259 4.815 4.556 0.001 0.000 0.273 43 H C 0.539 175.929 175.328 0.103 0.000 0.997 43 H CA 0.168 56.299 56.048 0.139 0.000 1.177 43 H CB 0.427 30.240 29.762 0.086 0.000 1.471 43 H HN 0.465 nan 8.280 nan 0.000 0.538 44 G N 0.441 109.364 108.800 0.205 0.000 2.461 44 G HA2 0.488 4.448 3.960 0.001 0.000 0.329 44 G HA3 0.488 4.448 3.960 0.001 0.000 0.329 44 G C -0.122 174.843 174.900 0.108 0.000 1.170 44 G CA -0.214 44.957 45.100 0.119 0.000 0.935 44 G HN 0.289 nan 8.290 nan 0.000 0.492 45 A N -0.347 122.520 122.820 0.079 0.000 2.507 45 A HA 0.555 4.876 4.320 0.001 0.000 0.235 45 A C 1.197 178.827 177.584 0.077 0.000 1.070 45 A CA 0.581 52.663 52.037 0.075 0.000 0.768 45 A CB -0.154 18.882 19.000 0.060 0.000 1.011 45 A HN 1.384 nan 8.150 nan 0.000 0.502 46 G N 0.458 109.312 108.800 0.091 0.000 2.651 46 G HA2 0.432 4.393 3.960 0.001 0.000 0.260 46 G HA3 0.432 4.393 3.960 0.001 0.000 0.260 46 G C 0.304 175.242 174.900 0.063 0.000 1.216 46 G CA -0.017 45.144 45.100 0.101 0.000 0.913 46 G HN 0.894 nan 8.290 nan 0.000 0.535 47 S N -0.587 115.150 115.700 0.061 0.000 2.563 47 S HA 0.167 4.638 4.470 0.001 0.000 0.284 47 S C 0.844 175.492 174.600 0.080 0.000 1.331 47 S CA -0.127 58.098 58.200 0.042 0.000 1.047 47 S CB 0.509 63.729 63.200 0.035 0.000 0.859 47 S HN 0.652 nan 8.310 nan 0.000 0.514 48 T N 3.320 117.947 114.554 0.122 0.000 2.933 48 T HA 0.122 4.472 4.350 0.001 0.000 0.306 48 T C 1.602 176.391 174.700 0.149 0.000 1.045 48 T CA 0.232 62.423 62.100 0.153 0.000 1.143 48 T CB 0.459 69.469 68.868 0.238 0.000 1.003 48 T HN 0.730 nan 8.240 nan 0.000 0.540 49 A N 3.114 125.992 122.820 0.097 0.000 1.841 49 A HA -0.091 4.230 4.320 0.001 0.000 0.216 49 A C 1.685 179.323 177.584 0.089 0.000 1.199 49 A CA 1.262 53.342 52.037 0.072 0.000 0.621 49 A CB -0.374 18.648 19.000 0.036 0.000 0.835 49 A HN 0.737 nan 8.150 nan 0.000 0.445 50 D N -1.337 119.106 120.400 0.071 0.000 3.060 50 D HA 0.241 4.882 4.640 0.001 0.000 0.245 50 D C 0.748 177.079 176.300 0.051 0.000 1.274 50 D CA -0.474 53.555 54.000 0.049 0.000 0.864 50 D CB -0.525 40.280 40.800 0.008 0.000 1.073 50 D HN 0.298 nan 8.370 nan 0.000 0.473 51 F N 1.236 121.168 119.950 -0.029 0.000 2.043 51 F HA -0.303 4.224 4.527 0.001 0.000 0.297 51 F C 2.004 177.731 175.800 -0.122 0.000 1.118 51 F CA 1.891 59.846 58.000 -0.075 0.000 1.202 51 F CB 0.075 39.045 39.000 -0.048 0.000 0.965 51 F HN 0.120 nan 8.300 nan 0.000 0.482 52 Q N -0.300 119.486 119.800 -0.023 0.000 2.096 52 Q HA -0.274 4.067 4.340 0.001 0.000 0.204 52 Q C 2.170 178.045 176.000 -0.207 0.000 0.982 52 Q CA 1.944 57.659 55.803 -0.148 0.000 0.850 52 Q CB -0.351 28.396 28.738 0.015 0.000 0.901 52 Q HN 0.271 nan 8.270 nan 0.000 0.422 53 K N 1.240 121.563 120.400 -0.128 0.000 2.097 53 K HA -0.076 4.244 4.320 0.001 0.000 0.205 53 K C 1.689 178.199 176.600 -0.150 0.000 1.050 53 K CA 1.054 57.277 56.287 -0.107 0.000 0.938 53 K CB -0.157 32.309 32.500 -0.056 0.000 0.718 53 K HN 0.162 nan 8.250 nan 0.000 0.442 54 I N 1.205 121.651 120.570 -0.206 0.000 2.202 54 I HA -0.235 3.936 4.170 0.001 0.000 0.242 54 I C 2.170 178.119 176.117 -0.280 0.000 1.091 54 I CA 1.388 62.560 61.300 -0.214 0.000 1.368 54 I CB -0.434 37.439 38.000 -0.212 0.000 1.058 54 I HN 0.208 nan 8.210 nan 0.000 0.410 55 I N -0.963 119.312 120.570 -0.492 0.000 2.394 55 I HA -0.248 3.922 4.170 0.001 0.000 0.251 55 I C 2.556 178.540 176.117 -0.222 0.000 1.136 55 I CA 1.314 62.348 61.300 -0.444 0.000 1.425 55 I CB -0.694 36.854 38.000 -0.753 0.000 1.079 55 I HN 0.330 nan 8.210 nan 0.000 0.425 56 Q N 1.915 121.596 119.800 -0.199 0.000 2.020 56 Q HA -0.254 4.086 4.340 0.001 0.000 0.202 56 Q C 2.065 178.036 176.000 -0.048 0.000 0.982 56 Q CA 2.196 57.940 55.803 -0.098 0.000 0.838 56 Q CB -0.169 28.518 28.738 -0.086 0.000 0.899 56 Q HN 0.675 nan 8.270 nan 0.000 0.423 57 E N 0.009 120.178 120.200 -0.052 0.000 2.077 57 E HA -0.172 4.178 4.350 0.001 0.000 0.193 57 E C 2.243 178.872 176.600 0.048 0.000 0.989 57 E CA 0.939 57.335 56.400 -0.007 0.000 0.800 57 E CB 0.014 29.705 29.700 -0.016 0.000 0.746 57 E HN 0.346 nan 8.360 nan 0.000 0.452 58 R N 0.123 120.655 120.500 0.053 0.000 2.092 58 R HA -0.090 4.250 4.340 0.001 0.000 0.231 58 R C 2.575 179.020 176.300 0.242 0.000 1.119 58 R CA 1.013 57.241 56.100 0.214 0.000 0.970 58 R CB -0.622 29.759 30.300 0.136 0.000 0.864 58 R HN 0.247 nan 8.270 nan 0.000 0.440 59 c N 1.367 120.034 118.600 0.112 0.000 2.429 59 c HA -0.126 4.444 4.570 0.001 0.000 0.277 59 c C 1.988 176.141 174.090 0.105 0.000 1.262 59 c CA 1.081 57.470 56.329 0.099 0.000 1.733 59 c CB -0.749 41.785 42.510 0.040 0.000 2.010 59 c HN 0.445 nan 8.230 nan 0.000 0.483 60 D N -0.140 120.303 120.400 0.071 0.000 2.117 60 D HA -0.081 4.560 4.640 0.001 0.000 0.198 60 D C 2.341 178.672 176.300 0.052 0.000 0.982 60 D CA 1.827 55.857 54.000 0.051 0.000 0.828 60 D CB -0.701 40.117 40.800 0.030 0.000 0.967 60 D HN 0.487 nan 8.370 nan 0.000 0.464 61 T N 0.036 114.637 114.554 0.078 0.000 2.746 61 T HA -0.187 4.164 4.350 0.001 0.000 0.267 61 T C 1.814 176.495 174.700 -0.032 0.000 1.039 61 T CA 0.925 63.056 62.100 0.052 0.000 1.142 61 T CB -0.464 68.485 68.868 0.135 0.000 0.866 61 T HN 0.207 nan 8.240 nan 0.000 0.444 62 Y N 2.195 122.390 120.300 -0.175 0.000 2.114 62 Y HA -0.214 4.337 4.550 0.001 0.000 0.284 62 Y C 2.876 178.677 175.900 -0.165 0.000 1.143 62 Y CA 1.991 59.894 58.100 -0.329 0.000 1.135 62 Y CB -0.563 37.681 38.460 -0.360 0.000 0.980 62 Y HN 0.310 nan 8.280 nan 0.000 0.499 63 T N -2.216 112.411 114.554 0.122 0.000 2.995 63 T HA -0.112 4.239 4.350 0.001 0.000 0.269 63 T C 1.440 176.126 174.700 -0.023 0.000 1.091 63 T CA 1.601 63.742 62.100 0.069 0.000 1.128 63 T CB -0.151 68.777 68.868 0.100 0.000 0.891 63 T HN 0.506 nan 8.240 nan 0.000 0.492 64 Q N -0.228 119.548 119.800 -0.039 0.000 2.423 64 Q HA 0.172 4.513 4.340 0.001 0.000 0.231 64 Q C 1.919 177.876 176.000 -0.070 0.000 0.894 64 Q CA 0.892 56.671 55.803 -0.041 0.000 0.938 64 Q CB 0.695 29.422 28.738 -0.018 0.000 1.079 64 Q HN 0.488 nan 8.270 nan 0.000 0.552 65 T N 0.106 114.601 114.554 -0.098 0.000 3.056 65 T HA 0.219 4.570 4.350 0.001 0.000 0.243 65 T C 1.797 176.400 174.700 -0.162 0.000 0.995 65 T CA 0.134 62.173 62.100 -0.102 0.000 1.091 65 T CB 0.351 69.179 68.868 -0.066 0.000 0.990 65 T HN 0.034 nan 8.240 nan 0.000 0.464 66 I N 0.240 120.648 120.570 -0.271 0.000 2.296 66 I HA 0.177 4.348 4.170 0.001 0.000 0.242 66 I C 1.538 177.407 176.117 -0.414 0.000 1.087 66 I CA 0.841 61.920 61.300 -0.368 0.000 1.393 66 I CB 0.162 37.822 38.000 -0.568 0.000 1.093 66 I HN -0.037 nan 8.210 nan 0.000 0.421 67 R N 1.086 121.242 120.500 -0.573 0.000 2.655 67 R HA 0.292 4.633 4.340 0.001 0.000 0.261 67 R C -2.671 173.468 176.300 -0.268 0.000 1.624 67 R CA -1.536 54.297 56.100 -0.445 0.000 1.655 67 R CB 0.774 30.701 30.300 -0.621 0.000 1.356 67 R HN -0.048 nan 8.270 nan 0.000 0.684 68 P HA 0.111 nan 4.420 nan 0.000 0.268 68 P C 0.030 177.304 177.300 -0.043 0.000 1.204 68 P CA 0.098 63.151 63.100 -0.078 0.000 0.768 68 P CB 1.222 32.883 31.700 -0.065 0.000 0.842 69 G N 0.549 109.345 108.800 -0.006 0.000 2.557 69 G HA2 0.317 4.277 3.960 0.001 0.000 0.302 69 G HA3 0.317 4.277 3.960 0.001 0.000 0.302 69 G C 1.060 175.964 174.900 0.006 0.000 1.311 69 G CA -0.171 44.935 45.100 0.011 0.000 1.030 69 G HN 0.444 nan 8.290 nan 0.000 0.509 70 S N -1.255 114.452 115.700 0.011 0.000 2.428 70 S HA 0.001 4.472 4.470 0.001 0.000 0.230 70 S C 1.068 175.673 174.600 0.009 0.000 1.014 70 S CA 0.813 59.017 58.200 0.008 0.000 0.957 70 S CB -0.243 62.963 63.200 0.010 0.000 0.784 70 S HN 0.838 nan 8.310 nan 0.000 0.499 71 R N 0.956 121.465 120.500 0.014 0.000 2.836 71 R HA 0.640 4.981 4.340 0.001 0.000 0.269 71 R C -0.768 175.543 176.300 0.018 0.000 1.010 71 R CA -0.566 55.542 56.100 0.014 0.000 0.930 71 R CB 1.018 31.327 30.300 0.014 0.000 1.218 71 R HN 0.121 nan 8.270 nan 0.000 0.473 72 S N 0.886 116.596 115.700 0.016 0.000 2.579 72 S HA 0.309 4.779 4.470 0.001 0.000 0.275 72 S C -0.176 174.440 174.600 0.025 0.000 1.345 72 S CA -0.709 57.502 58.200 0.019 0.000 1.031 72 S CB 0.680 63.889 63.200 0.015 0.000 0.892 72 S HN 0.602 nan 8.310 nan 0.000 0.529 73 R N 1.229 121.748 120.500 0.032 0.000 2.599 73 R HA 0.374 4.715 4.340 0.001 0.000 0.295 73 R C -0.791 175.527 176.300 0.029 0.000 0.963 73 R CA -0.813 55.307 56.100 0.033 0.000 0.883 73 R CB 1.014 31.340 30.300 0.044 0.000 1.171 73 R HN 0.690 nan 8.270 nan 0.000 0.450 74 N N 1.925 120.639 118.700 0.025 0.000 2.415 74 N HA 0.011 4.752 4.740 0.001 0.000 0.250 74 N C 0.421 175.945 175.510 0.023 0.000 1.127 74 N CA -0.174 52.889 53.050 0.021 0.000 0.945 74 N CB 0.562 39.060 38.487 0.017 0.000 1.196 74 N HN 0.566 nan 8.380 nan 0.000 0.499 75 c N 2.299 120.913 118.600 0.023 0.000 2.432 75 c HA -0.072 4.499 4.570 0.001 0.000 0.280 75 c C 2.497 176.597 174.090 0.016 0.000 1.353 75 c CA 0.481 56.824 56.329 0.023 0.000 1.766 75 c CB -0.825 41.699 42.510 0.023 0.000 1.924 75 c HN 0.777 nan 8.230 nan 0.000 0.509 76 Q N 0.944 120.751 119.800 0.011 0.000 2.061 76 Q HA -0.192 4.149 4.340 0.001 0.000 0.204 76 Q C 2.269 178.278 176.000 0.015 0.000 0.984 76 Q CA 2.048 57.855 55.803 0.008 0.000 0.846 76 Q CB -0.227 28.514 28.738 0.005 0.000 0.902 76 Q HN 0.652 nan 8.270 nan 0.000 0.421 77 A N 0.452 123.284 122.820 0.019 0.000 1.930 77 A HA -0.128 4.193 4.320 0.001 0.000 0.217 77 A C 1.974 179.580 177.584 0.037 0.000 1.175 77 A CA 1.159 53.211 52.037 0.024 0.000 0.627 77 A CB -0.553 18.459 19.000 0.021 0.000 0.815 77 A HN 0.485 nan 8.150 nan 0.000 0.443 78 I N -1.022 119.572 120.570 0.041 0.000 2.179 78 I HA -0.247 3.924 4.170 0.001 0.000 0.242 78 I C 2.703 178.881 176.117 0.103 0.000 1.088 78 I CA 1.684 63.021 61.300 0.061 0.000 1.357 78 I CB -0.309 37.722 38.000 0.051 0.000 1.051 78 I HN 0.369 nan 8.210 nan 0.000 0.409 79 R N 0.893 121.436 120.500 0.071 0.000 2.091 79 R HA -0.238 4.102 4.340 0.001 0.000 0.238 79 R C 2.297 178.650 176.300 0.088 0.000 1.136 79 R CA 1.783 57.921 56.100 0.064 0.000 0.959 79 R CB -0.161 30.131 30.300 -0.014 0.000 0.856 79 R HN 0.415 nan 8.270 nan 0.000 0.437 80 Q N -0.443 119.390 119.800 0.054 0.000 2.084 80 Q HA -0.130 4.210 4.340 0.001 0.000 0.202 80 Q C 2.152 178.187 176.000 0.058 0.000 0.978 80 Q CA 1.759 57.585 55.803 0.038 0.000 0.844 80 Q CB -0.125 28.624 28.738 0.018 0.000 0.898 80 Q HN 0.472 nan 8.270 nan 0.000 0.426 81 A N 0.265 123.132 122.820 0.079 0.000 1.933 81 A HA -0.190 4.130 4.320 0.001 0.000 0.218 81 A C 1.849 179.530 177.584 0.162 0.000 1.175 81 A CA 1.019 53.107 52.037 0.086 0.000 0.628 81 A CB -0.818 18.222 19.000 0.067 0.000 0.814 81 A HN 0.459 nan 8.150 nan 0.000 0.444 82 F N -0.184 119.804 119.950 0.064 0.000 2.075 82 F HA -0.225 4.302 4.527 0.001 0.000 0.297 82 F C 2.508 178.398 175.800 0.151 0.000 1.113 82 F CA 1.427 59.504 58.000 0.129 0.000 1.218 82 F CB -0.041 38.987 39.000 0.047 0.000 0.984 82 F HN 0.111 nan 8.300 nan 0.000 0.472 83 M N -0.342 119.433 119.600 0.292 0.000 2.108 83 M HA -0.213 4.268 4.480 0.001 0.000 0.261 83 M C 2.250 178.365 176.300 -0.308 0.000 1.066 83 M CA 1.456 56.700 55.300 -0.093 0.000 1.107 83 M CB -1.613 30.935 32.600 -0.087 0.000 1.356 83 M HN 0.028 nan 8.290 nan 0.000 0.406 84 S N 0.805 116.438 115.700 -0.111 0.000 2.447 84 S HA 0.012 4.483 4.470 0.001 0.000 0.233 84 S C 2.086 176.600 174.600 -0.143 0.000 1.006 84 S CA 0.950 59.070 58.200 -0.133 0.000 0.957 84 S CB -0.357 62.811 63.200 -0.054 0.000 0.773 84 S HN 0.560 nan 8.310 nan 0.000 0.507 85 A N 1.225 124.008 122.820 -0.062 0.000 1.940 85 A HA -0.063 4.257 4.320 0.001 0.000 0.219 85 A C 1.823 179.255 177.584 -0.254 0.000 1.176 85 A CA 1.782 53.756 52.037 -0.105 0.000 0.631 85 A CB -0.529 18.428 19.000 -0.071 0.000 0.814 85 A HN 0.730 nan 8.150 nan 0.000 0.446 86 F N -3.267 116.425 119.950 -0.429 0.000 2.819 86 F HA 0.510 5.038 4.527 0.001 0.000 0.325 86 F C 0.257 175.796 175.800 -0.434 0.000 1.041 86 F CA -1.222 56.239 58.000 -0.899 0.000 1.184 86 F CB 0.002 38.430 39.000 -0.952 0.000 1.019 86 F HN -0.059 nan 8.300 nan 0.000 0.590 87 I N 2.208 122.158 120.570 -1.034 0.000 2.752 87 I HA 0.178 4.348 4.170 0.001 0.000 0.287 87 I C 1.499 177.455 176.117 -0.268 0.000 1.188 87 I CA 0.877 61.762 61.300 -0.690 0.000 1.427 87 I CB 0.865 38.460 38.000 -0.675 0.000 1.365 87 I HN 0.486 nan 8.210 nan 0.000 0.585 88 S N 3.327 118.957 115.700 -0.117 0.000 3.561 88 S HA -0.197 4.273 4.470 0.001 0.000 0.318 88 S C -0.035 174.571 174.600 0.011 0.000 1.181 88 S CA 1.368 59.549 58.200 -0.031 0.000 0.916 88 S CB -1.267 61.905 63.200 -0.047 0.000 0.966 88 S HN 0.736 nan 8.310 nan 0.000 0.550 89 K N 0.627 121.053 120.400 0.044 0.000 2.395 89 K HA 0.382 4.702 4.320 0.001 0.000 0.247 89 K C -0.799 175.927 176.600 0.210 0.000 0.973 89 K CA -0.926 55.433 56.287 0.120 0.000 0.828 89 K CB 0.726 33.310 32.500 0.140 0.000 1.272 89 K HN 0.181 nan 8.250 nan 0.000 0.439 90 D N 2.529 123.056 120.400 0.211 0.000 2.412 90 D HA 0.021 4.661 4.640 0.001 0.000 0.257 90 D C -1.803 174.651 176.300 0.256 0.000 1.217 90 D CA -1.574 52.559 54.000 0.221 0.000 0.897 90 D CB 1.056 41.956 40.800 0.167 0.000 1.132 90 D HN 0.110 nan 8.370 nan 0.000 0.493 91 P HA 0.038 nan 4.420 nan 0.000 0.234 91 P C 0.545 177.777 177.300 -0.115 0.000 1.167 91 P CA 0.346 63.511 63.100 0.109 0.000 0.763 91 P CB 0.301 31.909 31.700 -0.155 0.000 0.835 92 c N -1.073 117.483 118.600 -0.073 0.000 3.125 92 c HA 0.278 4.849 4.570 0.001 0.000 0.284 92 c C 1.289 175.341 174.090 -0.063 0.000 1.386 92 c CA -0.047 56.225 56.329 -0.096 0.000 1.763 92 c CB -0.934 41.570 42.510 -0.010 0.000 2.377 92 c HN 0.185 nan 8.230 nan 0.000 0.620 93 K N 1.076 121.436 120.400 -0.066 0.000 2.537 93 K HA 0.325 4.646 4.320 0.001 0.000 0.206 93 K C 0.479 176.984 176.600 -0.158 0.000 1.041 93 K CA -0.105 56.148 56.287 -0.057 0.000 1.090 93 K CB 0.725 33.242 32.500 0.027 0.000 0.833 93 K HN 0.322 nan 8.250 nan 0.000 0.493 94 A N 1.790 124.347 122.820 -0.437 0.000 2.511 94 A HA 0.164 4.485 4.320 0.001 0.000 0.242 94 A C 0.556 177.974 177.584 -0.276 0.000 1.069 94 A CA 0.339 51.935 52.037 -0.735 0.000 0.763 94 A CB -0.051 18.181 19.000 -1.281 0.000 1.001 94 A HN 0.308 nan 8.150 nan 0.000 0.498 95 T N -0.304 114.166 114.554 -0.141 0.000 2.916 95 T HA 0.495 4.845 4.350 0.001 0.000 0.292 95 T C 0.684 175.405 174.700 0.035 0.000 1.064 95 T CA -0.797 61.282 62.100 -0.035 0.000 1.011 95 T CB 1.451 70.315 68.868 -0.007 0.000 1.152 95 T HN 0.558 nan 8.240 nan 0.000 0.510 96 K N 0.275 120.712 120.400 0.061 0.000 2.097 96 K HA -0.119 4.201 4.320 0.001 0.000 0.206 96 K C 1.871 178.544 176.600 0.121 0.000 1.049 96 K CA 1.604 57.962 56.287 0.117 0.000 0.933 96 K CB -0.142 32.398 32.500 0.066 0.000 0.717 96 K HN 0.619 nan 8.250 nan 0.000 0.442 97 E N 1.054 121.295 120.200 0.068 0.000 2.204 97 E HA -0.168 4.183 4.350 0.001 0.000 0.195 97 E C 1.365 177.996 176.600 0.052 0.000 0.990 97 E CA 1.079 57.513 56.400 0.056 0.000 0.821 97 E CB -0.138 29.584 29.700 0.036 0.000 0.750 97 E HN 0.214 nan 8.360 nan 0.000 0.477 98 D N -0.639 119.779 120.400 0.030 0.000 2.221 98 D HA -0.166 4.474 4.640 0.001 0.000 0.204 98 D C 0.740 176.977 176.300 -0.105 0.000 0.982 98 D CA 1.023 55.001 54.000 -0.036 0.000 0.857 98 D CB -0.045 40.750 40.800 -0.009 0.000 0.934 98 D HN 0.339 nan 8.370 nan 0.000 0.475 99 Y N 0.382 120.751 120.300 0.115 0.000 2.457 99 Y HA 0.128 4.679 4.550 0.001 0.000 0.263 99 Y C 1.664 177.570 175.900 0.011 0.000 1.164 99 Y CA -0.415 57.725 58.100 0.066 0.000 1.274 99 Y CB -0.053 38.441 38.460 0.058 0.000 1.097 99 Y HN -0.139 nan 8.280 nan 0.000 0.523 100 N N -0.141 118.637 118.700 0.130 0.000 2.061 100 N HA -0.187 4.554 4.740 0.001 0.000 0.193 100 N C 1.943 177.488 175.510 0.058 0.000 1.030 100 N CA 1.914 55.010 53.050 0.076 0.000 0.856 100 N CB -0.428 38.089 38.487 0.051 0.000 1.023 100 N HN 0.155 nan 8.380 nan 0.000 0.424 101 S N 0.797 116.529 115.700 0.054 0.000 2.368 101 S HA -0.086 4.385 4.470 0.001 0.000 0.225 101 S C 1.909 176.533 174.600 0.039 0.000 1.030 101 S CA 0.581 58.805 58.200 0.040 0.000 0.999 101 S CB -0.337 62.883 63.200 0.034 0.000 0.844 101 S HN 0.244 nan 8.310 nan 0.000 0.459 102 L N 1.731 122.988 121.223 0.057 0.000 2.017 102 L HA 0.070 4.410 4.340 0.001 0.000 0.208 102 L C 1.993 178.858 176.870 -0.009 0.000 1.073 102 L CA 1.523 56.377 54.840 0.023 0.000 0.745 102 L CB -0.494 41.572 42.059 0.011 0.000 0.894 102 L HN 0.315 nan 8.230 nan 0.000 0.432 103 I N -0.531 120.036 120.570 -0.006 0.000 2.286 103 I HA -0.296 3.875 4.170 0.001 0.000 0.248 103 I C 1.771 177.880 176.117 -0.013 0.000 1.115 103 I CA 1.179 62.455 61.300 -0.039 0.000 1.392 103 I CB -0.227 37.741 38.000 -0.054 0.000 1.065 103 I HN 0.422 nan 8.210 nan 0.000 0.418 104 N N 0.850 119.554 118.700 0.006 0.000 2.289 104 N HA -0.138 4.603 4.740 0.001 0.000 0.184 104 N C 1.758 177.275 175.510 0.011 0.000 1.016 104 N CA 1.112 54.169 53.050 0.011 0.000 0.872 104 N CB -0.296 38.201 38.487 0.016 0.000 0.973 104 N HN 0.407 nan 8.380 nan 0.000 0.433 105 L N -0.525 120.704 121.223 0.009 0.000 2.313 105 L HA 0.101 4.442 4.340 0.001 0.000 0.214 105 L C 0.384 177.260 176.870 0.010 0.000 1.119 105 L CA 0.386 55.233 54.840 0.012 0.000 0.809 105 L CB 0.038 42.106 42.059 0.016 0.000 0.933 105 L HN 0.029 nan 8.230 nan 0.000 0.449 106 A N -0.317 122.503 122.820 -0.000 0.000 3.200 106 A HA 0.440 4.760 4.320 0.001 0.000 0.274 106 A C -2.681 174.897 177.584 -0.009 0.000 1.220 106 A CA -0.796 51.239 52.037 -0.002 0.000 0.904 106 A CB -0.099 18.890 19.000 -0.018 0.000 1.415 106 A HN -0.160 nan 8.150 nan 0.000 0.630 107 P HA 0.260 nan 4.420 nan 0.000 0.268 107 P C -2.534 174.788 177.300 0.037 0.000 1.205 107 P CA -1.011 62.096 63.100 0.012 0.000 0.771 107 P CB 0.278 31.993 31.700 0.025 0.000 0.858 108 P HA 0.071 nan 4.420 nan 0.000 0.225 108 P C -0.607 176.832 177.300 0.230 0.000 1.813 108 P CA -0.014 63.157 63.100 0.119 0.000 1.013 108 P CB -0.528 31.229 31.700 0.096 0.000 1.961 109 T N -1.261 113.390 114.554 0.162 0.000 2.895 109 T HA 0.667 5.018 4.350 0.001 0.000 0.283 109 T C 0.149 174.935 174.700 0.143 0.000 1.014 109 T CA -0.841 61.343 62.100 0.139 0.000 1.037 109 T CB 2.047 70.963 68.868 0.079 0.000 1.006 109 T HN 0.132 nan 8.240 nan 0.000 0.468 110 V N -1.285 118.692 119.914 0.105 0.000 3.159 110 V HA 0.832 4.953 4.120 0.001 0.000 0.308 110 V C -3.075 173.043 176.094 0.041 0.000 1.190 110 V CA -2.701 59.656 62.300 0.094 0.000 1.037 110 V CB 0.921 32.832 31.823 0.146 0.000 1.060 110 V HN 0.778 nan 8.190 nan 0.000 0.437 111 P HA 0.302 nan 4.420 nan 0.000 0.269 111 P C -0.185 177.122 177.300 0.011 0.000 1.215 111 P CA -0.215 62.899 63.100 0.023 0.000 0.780 111 P CB 0.123 31.836 31.700 0.023 0.000 0.898 112 c N 1.335 119.941 118.600 0.010 0.000 2.634 112 c HA 0.357 4.927 4.570 0.001 0.000 0.417 112 c C 1.897 175.996 174.090 0.016 0.000 1.334 112 c CA 1.428 57.762 56.329 0.009 0.000 1.829 112 c CB -1.046 41.473 42.510 0.014 0.000 2.665 112 c HN 1.016 nan 8.230 nan 0.000 0.614 113 G N 2.295 111.109 108.800 0.022 0.000 2.168 113 G HA2 -0.260 3.701 3.960 0.001 0.000 0.263 113 G HA3 -0.260 3.701 3.960 0.001 0.000 0.263 113 G C 0.533 175.455 174.900 0.037 0.000 0.977 113 G CA 0.692 45.815 45.100 0.038 0.000 0.659 113 G HN 0.852 nan 8.290 nan 0.000 0.533 114 Q N -0.776 119.037 119.800 0.021 0.000 2.247 114 Q HA 0.155 4.496 4.340 0.001 0.000 0.211 114 Q C 0.924 176.940 176.000 0.027 0.000 0.861 114 Q CA -0.050 55.769 55.803 0.025 0.000 0.949 114 Q CB 0.570 29.324 28.738 0.026 0.000 1.115 114 Q HN 0.705 nan 8.270 nan 0.000 0.507 115 Q N 0.979 120.766 119.800 -0.022 0.000 2.286 115 Q HA 0.298 4.638 4.340 0.001 0.000 0.257 115 Q C -1.006 174.950 176.000 -0.072 0.000 0.941 115 Q CA -0.058 55.674 55.803 -0.118 0.000 0.912 115 Q CB 1.790 30.267 28.738 -0.436 0.000 1.192 115 Q HN -0.064 nan 8.270 nan 0.000 0.410 116 V N 4.503 124.408 119.914 -0.016 0.000 2.444 116 V HA 0.399 4.520 4.120 0.001 0.000 0.294 116 V C -0.761 175.352 176.094 0.032 0.000 1.022 116 V CA -0.580 61.776 62.300 0.093 0.000 0.850 116 V CB 0.719 32.675 31.823 0.221 0.000 0.992 116 V HN 0.575 nan 8.190 nan 0.000 0.426 117 F N 4.363 124.475 119.950 0.271 0.000 2.403 117 F HA 0.747 5.274 4.527 0.001 0.000 0.326 117 F C 0.206 176.066 175.800 0.099 0.000 1.081 117 F CA -0.424 57.679 58.000 0.172 0.000 1.041 117 F CB 1.351 40.434 39.000 0.140 0.000 1.234 117 F HN 0.603 nan 8.300 nan 0.000 0.503 118 W N -0.242 121.140 121.300 0.137 0.000 3.137 118 W HA 0.676 5.336 4.660 0.000 0.000 0.324 118 W C -1.920 174.576 176.519 -0.038 0.000 1.253 118 W CA -1.221 56.116 57.345 -0.014 0.000 1.183 118 W CB 1.500 30.964 29.460 0.007 0.000 1.424 118 W HN 0.460 nan 8.180 nan 0.000 0.566 119 S N 1.827 117.686 115.700 0.266 0.000 2.652 119 S HA 0.344 4.814 4.470 0.001 0.000 0.273 119 S C -0.372 174.391 174.600 0.271 0.000 1.172 119 S CA -0.485 57.831 58.200 0.193 0.000 1.009 119 S CB 0.703 63.908 63.200 0.009 0.000 1.094 119 S HN 0.572 nan 8.310 nan 0.000 0.471 120 K N 1.448 122.062 120.400 0.357 0.000 3.088 120 K HA -0.138 4.183 4.320 0.001 0.000 0.273 120 K C 0.370 177.061 176.600 0.152 0.000 1.111 120 K CA 1.650 58.069 56.287 0.220 0.000 0.803 120 K CB -2.101 30.477 32.500 0.129 0.000 1.226 120 K HN 0.744 nan 8.250 nan 0.000 0.485 121 T N -4.315 110.349 114.554 0.184 0.000 3.541 121 T HA 0.214 4.564 4.350 0.001 0.000 0.309 121 T C 0.958 175.585 174.700 -0.122 0.000 0.973 121 T CA -0.356 61.771 62.100 0.045 0.000 0.993 121 T CB 0.604 69.511 68.868 0.065 0.000 1.206 121 T HN 0.173 nan 8.240 nan 0.000 0.489 122 K N 1.954 122.121 120.400 -0.387 0.000 2.015 122 K HA -0.224 4.097 4.320 0.001 0.000 0.216 122 K C 1.796 178.213 176.600 -0.305 0.000 1.052 122 K CA 2.140 57.891 56.287 -0.892 0.000 0.937 122 K CB -0.128 31.747 32.500 -1.042 0.000 0.719 122 K HN 0.546 nan 8.250 nan 0.000 0.446 123 E N 0.387 120.461 120.200 -0.210 0.000 2.038 123 E HA -0.222 4.129 4.350 0.001 0.000 0.195 123 E C 2.064 178.663 176.600 -0.002 0.000 1.000 123 E CA 1.288 57.629 56.400 -0.098 0.000 0.803 123 E CB -0.185 29.466 29.700 -0.082 0.000 0.750 123 E HN 0.204 nan 8.360 nan 0.000 0.448 124 L N 1.074 122.295 121.223 -0.003 0.000 2.012 124 L HA -0.177 4.163 4.340 0.001 0.000 0.210 124 L C 2.193 179.137 176.870 0.122 0.000 1.073 124 L CA 2.245 57.122 54.840 0.062 0.000 0.748 124 L CB -0.728 41.354 42.059 0.038 0.000 0.891 124 L HN 0.052 nan 8.230 nan 0.000 0.431 125 A N -1.447 121.404 122.820 0.051 0.000 1.933 125 A HA -0.247 4.073 4.320 0.001 0.000 0.218 125 A C 2.080 179.685 177.584 0.036 0.000 1.175 125 A CA 1.925 54.000 52.037 0.064 0.000 0.628 125 A CB -1.000 17.977 19.000 -0.038 0.000 0.814 125 A HN 0.700 nan 8.150 nan 0.000 0.444 126 H N -1.275 117.788 119.070 -0.012 0.000 2.395 126 H HA -0.005 4.552 4.556 0.001 0.000 0.299 126 H C 2.085 177.433 175.328 0.033 0.000 1.070 126 H CA 1.442 57.493 56.048 0.006 0.000 1.356 126 H CB -0.039 29.680 29.762 -0.070 0.000 1.401 126 H HN 0.550 nan 8.280 nan 0.000 0.524 127 E N 0.461 120.748 120.200 0.145 0.000 2.038 127 E HA -0.248 4.103 4.350 0.001 0.000 0.195 127 E C 2.018 178.657 176.600 0.064 0.000 1.000 127 E CA 1.391 57.841 56.400 0.084 0.000 0.803 127 E CB -0.575 29.169 29.700 0.072 0.000 0.750 127 E HN 0.555 nan 8.360 nan 0.000 0.448 128 Y N 0.372 120.659 120.300 -0.020 0.000 2.114 128 Y HA -0.247 4.303 4.550 0.001 0.000 0.282 128 Y C 2.120 177.968 175.900 -0.087 0.000 1.165 128 Y CA 2.454 60.494 58.100 -0.101 0.000 1.148 128 Y CB -0.840 37.608 38.460 -0.020 0.000 0.972 128 Y HN 0.120 nan 8.280 nan 0.000 0.504 129 A N 0.387 123.179 122.820 -0.047 0.000 1.898 129 A HA -0.177 4.143 4.320 0.001 0.000 0.216 129 A C 2.336 179.843 177.584 -0.130 0.000 1.181 129 A CA 1.743 53.700 52.037 -0.133 0.000 0.620 129 A CB -0.803 18.203 19.000 0.010 0.000 0.819 129 A HN 0.532 nan 8.150 nan 0.000 0.442 130 K N -0.240 120.130 120.400 -0.049 0.000 2.032 130 K HA -0.197 4.124 4.320 0.001 0.000 0.209 130 K C 2.253 178.798 176.600 -0.092 0.000 1.048 130 K CA 1.708 57.975 56.287 -0.033 0.000 0.927 130 K CB -0.197 32.309 32.500 0.010 0.000 0.712 130 K HN 0.466 nan 8.250 nan 0.000 0.441 131 R N -0.217 120.199 120.500 -0.140 0.000 2.090 131 R HA 0.006 4.347 4.340 0.001 0.000 0.228 131 R C 1.999 178.172 176.300 -0.211 0.000 1.110 131 R CA 0.872 56.876 56.100 -0.161 0.000 0.973 131 R CB -0.036 30.164 30.300 -0.166 0.000 0.869 131 R HN 0.129 nan 8.270 nan 0.000 0.440 132 R N 0.728 121.036 120.500 -0.321 0.000 2.317 132 R HA 0.141 4.481 4.340 0.001 0.000 0.208 132 R C 0.112 176.291 176.300 -0.201 0.000 0.914 132 R CA -0.022 55.886 56.100 -0.319 0.000 1.060 132 R CB 0.057 30.035 30.300 -0.536 0.000 1.015 132 R HN 0.178 nan 8.270 nan 0.000 0.498 133 R N 0.517 120.927 120.500 -0.151 0.000 3.422 133 R HA -0.152 4.189 4.340 0.001 0.000 0.267 133 R C -0.310 175.947 176.300 -0.071 0.000 1.074 133 R CA 0.395 56.442 56.100 -0.089 0.000 0.718 133 R CB -2.090 28.167 30.300 -0.072 0.000 1.157 133 R HN 0.170 nan 8.270 nan 0.000 0.440 134 L N -0.431 120.741 121.223 -0.086 0.000 2.578 134 L HA 0.631 4.972 4.340 0.001 0.000 0.259 134 L C 0.644 177.529 176.870 0.025 0.000 1.082 134 L CA -1.196 53.625 54.840 -0.032 0.000 0.843 134 L CB 0.754 42.784 42.059 -0.048 0.000 1.535 134 L HN 0.022 nan 8.230 nan 0.000 0.510 135 M N 0.520 120.167 119.600 0.078 0.000 2.204 135 M HA 0.292 4.773 4.480 0.001 0.000 0.293 135 M C -0.465 175.947 176.300 0.187 0.000 0.994 135 M CA -0.530 54.852 55.300 0.137 0.000 0.925 135 M CB 2.128 34.831 32.600 0.171 0.000 1.577 135 M HN 0.699 nan 8.290 nan 0.000 0.439 136 T N -0.846 113.796 114.554 0.147 0.000 2.810 136 T HA 0.311 4.662 4.350 0.001 0.000 0.277 136 T C 0.847 175.543 174.700 -0.007 0.000 0.973 136 T CA -0.859 61.321 62.100 0.133 0.000 0.949 136 T CB 1.000 69.878 68.868 0.016 0.000 1.075 136 T HN 0.592 nan 8.240 nan 0.000 0.537 137 L N 0.467 121.506 121.223 -0.306 0.000 2.127 137 L HA 0.016 4.357 4.340 0.001 0.000 0.211 137 L C 2.168 179.033 176.870 -0.008 0.000 1.089 137 L CA 1.841 56.291 54.840 -0.649 0.000 0.757 137 L CB -1.330 40.414 42.059 -0.526 0.000 0.899 137 L HN 0.760 nan 8.230 nan 0.000 0.434 138 E N -0.462 119.903 120.200 0.276 0.000 2.478 138 E HA -0.090 4.261 4.350 0.001 0.000 0.198 138 E C 1.185 178.010 176.600 0.376 0.000 1.046 138 E CA 0.669 57.298 56.400 0.381 0.000 0.870 138 E CB -0.164 29.797 29.700 0.435 0.000 0.818 138 E HN 0.533 nan 8.360 nan 0.000 0.527 139 D N -0.137 120.447 120.400 0.306 0.000 2.349 139 D HA -0.010 4.630 4.640 0.001 0.000 0.214 139 D C 0.447 176.958 176.300 0.351 0.000 1.063 139 D CA 0.335 54.545 54.000 0.351 0.000 0.847 139 D CB 0.196 41.152 40.800 0.261 0.000 0.933 139 D HN 0.196 nan 8.370 nan 0.000 0.513 140 T N -1.685 112.990 114.554 0.201 0.000 2.849 140 T HA 0.208 4.559 4.350 0.001 0.000 0.284 140 T C 1.564 176.156 174.700 -0.180 0.000 1.004 140 T CA -0.719 61.443 62.100 0.103 0.000 1.021 140 T CB 1.805 70.697 68.868 0.040 0.000 1.013 140 T HN -0.072 nan 8.240 nan 0.000 0.527 141 L N 0.979 121.905 121.223 -0.494 0.000 1.971 141 L HA -0.071 4.269 4.340 0.001 0.000 0.215 141 L C 2.533 179.207 176.870 -0.326 0.000 1.072 141 L CA 1.575 55.856 54.840 -0.933 0.000 0.758 141 L CB -0.514 41.213 42.059 -0.553 0.000 0.889 141 L HN 0.738 nan 8.230 nan 0.000 0.433 142 L N -0.702 120.445 121.223 -0.126 0.000 2.093 142 L HA -0.120 4.220 4.340 0.001 0.000 0.208 142 L C 2.623 179.580 176.870 0.145 0.000 1.085 142 L CA 1.116 55.969 54.840 0.022 0.000 0.755 142 L CB -1.196 40.854 42.059 -0.014 0.000 0.904 142 L HN 0.433 nan 8.230 nan 0.000 0.435 143 G N -1.042 107.834 108.800 0.125 0.000 2.402 143 G HA2 -0.332 3.629 3.960 0.001 0.000 0.216 143 G HA3 -0.332 3.629 3.960 0.001 0.000 0.216 143 G C 1.493 176.601 174.900 0.347 0.000 1.162 143 G CA 0.532 45.821 45.100 0.314 0.000 0.777 143 G HN 0.309 nan 8.290 nan 0.000 0.539 144 Y N 1.296 121.656 120.300 0.099 0.000 2.128 144 Y HA -0.100 4.451 4.550 0.001 0.000 0.284 144 Y C 2.649 178.593 175.900 0.073 0.000 1.154 144 Y CA 1.444 59.603 58.100 0.098 0.000 1.149 144 Y CB -0.165 38.327 38.460 0.053 0.000 0.976 144 Y HN 0.101 nan 8.280 nan 0.000 0.505 145 L N -0.600 120.708 121.223 0.142 0.000 2.012 145 L HA -0.233 4.107 4.340 0.001 0.000 0.210 145 L C 2.591 179.428 176.870 -0.056 0.000 1.073 145 L CA 1.473 56.321 54.840 0.013 0.000 0.748 145 L CB -1.048 41.033 42.059 0.037 0.000 0.891 145 L HN 0.322 nan 8.230 nan 0.000 0.431 146 A N -1.282 121.578 122.820 0.066 0.000 2.178 146 A HA -0.064 4.257 4.320 0.001 0.000 0.211 146 A C 0.674 178.517 177.584 0.432 0.000 1.157 146 A CA -0.103 51.995 52.037 0.101 0.000 0.780 146 A CB -0.392 18.497 19.000 -0.186 0.000 0.828 146 A HN 0.315 nan 8.150 nan 0.000 0.476 147 D N -0.131 120.496 120.400 0.379 0.000 2.520 147 D HA 0.311 4.952 4.640 0.001 0.000 0.243 147 D C 1.404 177.832 176.300 0.212 0.000 1.160 147 D CA 1.749 55.960 54.000 0.352 0.000 0.877 147 D CB 0.068 40.945 40.800 0.129 0.000 1.150 147 D HN 0.551 nan 8.370 nan 0.000 0.494 148 G N 2.844 111.778 108.800 0.224 0.000 2.205 148 G HA2 -0.253 3.708 3.960 0.001 0.000 0.261 148 G HA3 -0.253 3.708 3.960 0.001 0.000 0.261 148 G C 0.487 175.501 174.900 0.190 0.000 0.980 148 G CA 0.503 45.682 45.100 0.133 0.000 0.632 148 G HN 0.523 nan 8.290 nan 0.000 0.533 149 L N -0.236 121.176 121.223 0.314 0.000 2.439 149 L HA 0.749 5.090 4.340 0.001 0.000 0.259 149 L C 0.962 178.073 176.870 0.402 0.000 1.129 149 L CA -0.855 54.204 54.840 0.366 0.000 0.803 149 L CB 0.955 43.280 42.059 0.443 0.000 1.161 149 L HN 0.131 nan 8.230 nan 0.000 0.462 150 R N 0.901 121.595 120.500 0.323 0.000 2.686 150 R HA 0.601 4.941 4.340 0.001 0.000 0.283 150 R C -1.845 174.502 176.300 0.078 0.000 0.978 150 R CA -0.726 55.425 56.100 0.084 0.000 0.897 150 R CB 2.279 32.587 30.300 0.013 0.000 1.192 150 R HN 0.702 nan 8.270 nan 0.000 0.457 151 W N 0.665 121.744 121.300 -0.368 0.000 3.479 151 W HA 0.606 5.267 4.660 0.001 0.000 0.304 151 W C -1.396 174.781 176.519 -0.570 0.000 1.243 151 W CA -0.936 55.995 57.345 -0.690 0.000 1.202 151 W CB 0.464 29.013 29.460 -1.517 0.000 1.346 151 W HN 0.909 nan 8.180 nan 0.000 0.539 152 c N 1.524 119.981 118.600 -0.238 0.000 3.307 152 c HA 1.013 5.583 4.570 0.001 0.000 0.333 152 c C 0.254 174.499 174.090 0.257 0.000 1.291 152 c CA 0.061 56.351 56.329 -0.065 0.000 1.273 152 c CB 1.414 43.852 42.510 -0.120 0.000 1.580 152 c HN 1.590 nan 8.230 nan 0.000 0.481 153 G N 0.045 109.057 108.800 0.354 0.000 3.075 153 G HA2 0.780 4.741 3.960 0.001 0.000 0.253 153 G HA3 0.780 4.741 3.960 0.001 0.000 0.253 153 G C -1.488 173.552 174.900 0.233 0.000 1.353 153 G CA -0.370 44.907 45.100 0.295 0.000 1.051 153 G HN 1.174 nan 8.290 nan 0.000 0.553 154 E N -0.563 119.745 120.200 0.180 0.000 2.321 154 E HA 0.480 4.830 4.350 0.001 0.000 0.281 154 E C -2.847 173.827 176.600 0.122 0.000 0.910 154 E CA -1.775 54.735 56.400 0.183 0.000 0.770 154 E CB 2.339 32.147 29.700 0.181 0.000 1.225 154 E HN 0.133 nan 8.360 nan 0.000 0.417 155 P HA 0.094 nan 4.420 nan 0.000 0.261 155 P C 0.687 178.022 177.300 0.058 0.000 1.173 155 P CA 1.829 64.979 63.100 0.084 0.000 0.760 155 P CB 0.674 32.426 31.700 0.087 0.000 0.783 156 G N 2.482 111.305 108.800 0.039 0.000 3.909 156 G HA2 -0.310 3.650 3.960 0.001 0.000 0.218 156 G HA3 -0.310 3.650 3.960 0.001 0.000 0.218 156 G C 0.682 175.597 174.900 0.026 0.000 1.404 156 G CA 0.293 45.410 45.100 0.028 0.000 0.905 156 G HN 0.779 nan 8.290 nan 0.000 0.589 157 S N 1.414 117.139 115.700 0.041 0.000 2.563 157 S HA 0.378 4.848 4.470 0.001 0.000 0.294 157 S C 1.487 176.100 174.600 0.022 0.000 1.279 157 S CA 1.104 59.331 58.200 0.045 0.000 1.069 157 S CB 0.503 63.748 63.200 0.077 0.000 0.828 157 S HN 1.781 nan 8.310 nan 0.000 0.497 158 S N 2.560 118.266 115.700 0.011 0.000 2.618 158 S HA 0.300 4.770 4.470 0.001 0.000 0.242 158 S C -0.334 174.260 174.600 -0.010 0.000 0.972 158 S CA -0.606 57.584 58.200 -0.017 0.000 1.004 158 S CB -0.209 62.980 63.200 -0.017 0.000 0.778 158 S HN 0.709 nan 8.310 nan 0.000 0.459 159 D N 0.183 120.597 120.400 0.023 0.000 2.490 159 D HA 0.604 5.245 4.640 0.001 0.000 0.232 159 D C -0.781 175.573 176.300 0.089 0.000 1.053 159 D CA -0.670 53.360 54.000 0.050 0.000 0.914 159 D CB 1.402 42.242 40.800 0.067 0.000 1.431 159 D HN 0.051 nan 8.370 nan 0.000 0.483 160 L N 1.987 123.280 121.223 0.116 0.000 2.439 160 L HA 0.249 4.589 4.340 0.001 0.000 0.269 160 L C 0.477 177.450 176.870 0.171 0.000 1.179 160 L CA -0.203 54.739 54.840 0.171 0.000 0.828 160 L CB 0.277 42.433 42.059 0.163 0.000 1.106 160 L HN 0.323 nan 8.230 nan 0.000 0.467 161 N N 2.149 120.971 118.700 0.204 0.000 2.415 161 N HA 0.110 4.851 4.740 0.001 0.000 0.250 161 N C 0.482 176.113 175.510 0.201 0.000 1.127 161 N CA -0.280 52.922 53.050 0.254 0.000 0.945 161 N CB 0.541 39.213 38.487 0.308 0.000 1.196 161 N HN 0.480 nan 8.380 nan 0.000 0.499 162 I N 0.719 121.379 120.570 0.149 0.000 3.419 162 I HA 0.237 4.407 4.170 0.001 0.000 0.286 162 I C 1.437 177.598 176.117 0.073 0.000 1.268 162 I CA -0.218 61.124 61.300 0.069 0.000 1.414 162 I CB -0.525 37.466 38.000 -0.016 0.000 1.074 162 I HN 0.327 nan 8.210 nan 0.000 0.457 163 W N 2.330 123.674 121.300 0.073 0.000 2.309 163 W HA -0.019 4.641 4.660 0.001 0.000 0.326 163 W C 1.468 178.034 176.519 0.080 0.000 1.222 163 W CA 2.550 59.934 57.345 0.066 0.000 1.237 163 W CB -0.715 28.784 29.460 0.065 0.000 1.180 163 W HN 0.366 nan 8.180 nan 0.000 0.456 164 S N -2.864 113.083 115.700 0.413 0.000 2.615 164 S HA 0.636 5.106 4.470 0.001 0.000 0.269 164 S C -1.256 173.544 174.600 0.333 0.000 1.161 164 S CA -1.481 56.907 58.200 0.315 0.000 0.817 164 S CB 1.659 65.045 63.200 0.310 0.000 1.131 164 S HN 0.027 nan 8.310 nan 0.000 0.467 165 c N 1.298 120.004 118.600 0.175 0.000 2.994 165 c HA 0.760 5.330 4.570 0.001 0.000 0.304 165 c C -2.762 171.195 174.090 -0.222 0.000 1.273 165 c CA -1.382 54.886 56.329 -0.101 0.000 1.537 165 c CB 1.491 43.917 42.510 -0.140 0.000 2.001 165 c HN 0.767 nan 8.230 nan 0.000 0.471 166 P HA 0.076 nan 4.420 nan 0.000 0.262 166 P C -0.872 176.359 177.300 -0.115 0.000 1.182 166 P CA 0.679 63.511 63.100 -0.447 0.000 0.761 166 P CB 0.309 31.584 31.700 -0.708 0.000 0.795 167 D N 2.063 122.481 120.400 0.030 0.000 2.253 167 D HA 0.179 4.820 4.640 0.001 0.000 0.249 167 D C 0.395 176.738 176.300 0.072 0.000 1.049 167 D CA -0.610 53.419 54.000 0.048 0.000 0.929 167 D CB 0.483 41.294 40.800 0.017 0.000 1.176 167 D HN 0.423 nan 8.370 nan 0.000 0.437 168 W N 3.703 124.981 121.300 -0.037 0.000 3.292 168 W HA 0.209 4.870 4.660 0.001 0.000 0.263 168 W C 0.533 177.038 176.519 -0.024 0.000 1.318 168 W CA -0.023 57.299 57.345 -0.038 0.000 1.663 168 W CB 0.120 29.559 29.460 -0.035 0.000 1.114 168 W HN 0.294 nan 8.180 nan 0.000 0.706 169 R N 0.083 120.399 120.500 -0.306 0.000 2.502 169 R HA 0.155 4.495 4.340 0.001 0.000 0.174 169 R C 1.578 177.787 176.300 -0.151 0.000 1.201 169 R CA -0.005 55.923 56.100 -0.287 0.000 1.151 169 R CB -0.597 29.436 30.300 -0.445 0.000 1.202 169 R HN -0.137 nan 8.270 nan 0.000 0.509 170 K N 1.101 121.404 120.400 -0.160 0.000 2.574 170 K HA -0.058 4.263 4.320 0.001 0.000 0.193 170 K C 0.241 176.810 176.600 -0.052 0.000 1.035 170 K CA 1.143 57.330 56.287 -0.168 0.000 0.982 170 K CB 0.176 32.509 32.500 -0.278 0.000 0.795 170 K HN 0.227 nan 8.250 nan 0.000 0.491 171 D N -1.764 118.657 120.400 0.034 0.000 2.957 171 D HA 0.163 4.804 4.640 0.001 0.000 0.175 171 D C -0.088 176.270 176.300 0.096 0.000 1.502 171 D CA 0.611 54.697 54.000 0.144 0.000 1.524 171 D CB 0.609 41.529 40.800 0.200 0.000 1.300 171 D HN 0.314 nan 8.370 nan 0.000 0.241 172 c N -0.517 118.116 118.600 0.055 0.000 3.307 172 c HA 0.551 5.121 4.570 0.001 0.000 0.333 172 c C 0.983 175.116 174.090 0.072 0.000 1.291 172 c CA -0.823 55.534 56.329 0.047 0.000 1.273 172 c CB 2.212 44.733 42.510 0.019 0.000 1.580 172 c HN 0.251 nan 8.230 nan 0.000 0.481 173 R N 0.472 121.018 120.500 0.076 0.000 2.140 173 R HA 0.064 4.405 4.340 0.001 0.000 0.213 173 R C 1.072 177.379 176.300 0.012 0.000 1.059 173 R CA 1.473 57.631 56.100 0.096 0.000 1.000 173 R CB -0.121 30.233 30.300 0.091 0.000 0.910 173 R HN 0.932 nan 8.270 nan 0.000 0.455 174 T N 1.156 115.694 114.554 -0.026 0.000 4.309 174 T HA 0.101 4.451 4.350 0.001 0.000 0.242 174 T C -0.008 174.589 174.700 -0.171 0.000 1.142 174 T CA -0.649 61.399 62.100 -0.087 0.000 1.042 174 T CB -0.882 67.940 68.868 -0.077 0.000 1.366 174 T HN 0.193 nan 8.240 nan 0.000 0.942 175 N N 0.312 118.917 118.700 -0.158 0.000 2.404 175 N HA 0.177 4.918 4.740 0.001 0.000 0.297 175 N C -0.135 175.258 175.510 -0.195 0.000 1.163 175 N CA -0.980 51.941 53.050 -0.215 0.000 0.864 175 N CB 1.191 39.578 38.487 -0.166 0.000 1.247 175 N HN 0.054 nan 8.380 nan 0.000 0.510 176 Y N -0.040 120.221 120.300 -0.065 0.000 2.352 176 Y HA -0.086 4.465 4.550 0.001 0.000 0.292 176 Y C 2.202 178.105 175.900 0.005 0.000 1.136 176 Y CA 0.688 58.841 58.100 0.089 0.000 1.227 176 Y CB -0.031 38.503 38.460 0.123 0.000 0.991 176 Y HN 0.542 nan 8.280 nan 0.000 0.545 177 L N -1.010 120.048 121.223 -0.274 0.000 2.044 177 L HA -0.140 4.201 4.340 0.001 0.000 0.205 177 L C 2.271 179.150 176.870 0.014 0.000 1.075 177 L CA 1.795 56.355 54.840 -0.466 0.000 0.747 177 L CB -0.912 40.810 42.059 -0.561 0.000 0.903 177 L HN -0.044 nan 8.230 nan 0.000 0.435 178 S N -0.952 114.748 115.700 0.000 0.000 2.355 178 S HA -0.138 4.333 4.470 0.001 0.000 0.222 178 S C 1.958 176.598 174.600 0.067 0.000 1.031 178 S CA 1.401 59.605 58.200 0.007 0.000 0.993 178 S CB -0.434 62.705 63.200 -0.103 0.000 0.859 178 S HN 0.331 nan 8.310 nan 0.000 0.453 179 V N 1.553 121.521 119.914 0.091 0.000 2.407 179 V HA -0.165 3.955 4.120 0.001 0.000 0.248 179 V C 1.857 178.022 176.094 0.119 0.000 1.055 179 V CA 1.777 64.156 62.300 0.131 0.000 1.049 179 V CB -0.771 31.161 31.823 0.183 0.000 0.662 179 V HN 0.510 nan 8.190 nan 0.000 0.455 180 F N 0.062 119.979 119.950 -0.055 0.000 2.069 180 F HA -0.232 4.296 4.527 0.001 0.000 0.298 180 F C 2.036 177.586 175.800 -0.417 0.000 1.113 180 F CA 1.893 59.549 58.000 -0.572 0.000 1.214 180 F CB -0.457 38.249 39.000 -0.491 0.000 0.978 180 F HN 0.167 nan 8.300 nan 0.000 0.474 181 W N 1.109 122.394 121.300 -0.025 0.000 2.374 181 W HA -0.117 4.544 4.660 0.000 0.000 0.288 181 W C 2.418 178.817 176.519 -0.201 0.000 1.218 181 W CA 1.024 58.286 57.345 -0.139 0.000 1.245 181 W CB -0.348 29.115 29.460 0.005 0.000 1.126 181 W HN 0.037 nan 8.180 nan 0.000 0.545 182 E N 0.092 120.308 120.200 0.026 0.000 2.047 182 E HA -0.177 4.174 4.350 0.001 0.000 0.191 182 E C 2.189 178.750 176.600 -0.065 0.000 0.987 182 E CA 1.472 57.861 56.400 -0.018 0.000 0.799 182 E CB -0.907 28.780 29.700 -0.021 0.000 0.752 182 E HN 0.192 nan 8.360 nan 0.000 0.449 183 V N 1.595 121.426 119.914 -0.137 0.000 2.307 183 V HA -0.224 3.896 4.120 0.001 0.000 0.245 183 V C 2.463 178.433 176.094 -0.206 0.000 1.045 183 V CA 1.274 63.484 62.300 -0.150 0.000 1.024 183 V CB -0.413 31.317 31.823 -0.155 0.000 0.651 183 V HN 0.128 nan 8.190 nan 0.000 0.449 184 L N -0.155 120.827 121.223 -0.402 0.000 2.056 184 L HA -0.116 4.225 4.340 0.001 0.000 0.207 184 L C 2.552 179.384 176.870 -0.063 0.000 1.078 184 L CA 2.039 56.661 54.840 -0.363 0.000 0.749 184 L CB -0.546 41.080 42.059 -0.722 0.000 0.901 184 L HN 0.266 nan 8.230 nan 0.000 0.433 185 S N -0.875 114.832 115.700 0.011 0.000 2.382 185 S HA -0.222 4.248 4.470 0.001 0.000 0.228 185 S C 1.852 176.561 174.600 0.182 0.000 1.027 185 S CA 1.334 59.637 58.200 0.170 0.000 0.991 185 S CB -0.284 62.996 63.200 0.134 0.000 0.823 185 S HN 0.582 nan 8.310 nan 0.000 0.469 186 E N 1.141 121.383 120.200 0.070 0.000 2.072 186 E HA -0.219 4.132 4.350 0.001 0.000 0.191 186 E C 2.223 178.867 176.600 0.073 0.000 0.985 186 E CA 0.999 57.428 56.400 0.049 0.000 0.801 186 E CB -0.050 29.653 29.700 0.005 0.000 0.750 186 E HN 0.228 nan 8.360 nan 0.000 0.452 187 R N -0.033 120.510 120.500 0.071 0.000 2.075 187 R HA -0.134 4.207 4.340 0.001 0.000 0.232 187 R C 2.119 178.513 176.300 0.157 0.000 1.126 187 R CA 1.483 57.631 56.100 0.081 0.000 0.963 187 R CB -0.939 29.389 30.300 0.046 0.000 0.858 187 R HN 0.276 nan 8.270 nan 0.000 0.435 188 F N 0.688 120.672 119.950 0.056 0.000 2.126 188 F HA -0.107 4.421 4.527 0.001 0.000 0.299 188 F C 1.970 177.885 175.800 0.192 0.000 1.096 188 F CA 1.692 59.755 58.000 0.104 0.000 1.255 188 F CB -0.762 38.313 39.000 0.124 0.000 0.997 188 F HN 0.149 nan 8.300 nan 0.000 0.479 189 A N -0.141 122.820 122.820 0.236 0.000 1.897 189 A HA -0.154 4.167 4.320 0.001 0.000 0.215 189 A C 2.145 179.768 177.584 0.065 0.000 1.181 189 A CA 1.559 53.712 52.037 0.193 0.000 0.620 189 A CB -0.892 18.170 19.000 0.103 0.000 0.821 189 A HN 0.508 nan 8.150 nan 0.000 0.443 190 E N 0.197 120.423 120.200 0.044 0.000 2.118 190 E HA -0.138 4.212 4.350 0.001 0.000 0.195 190 E C 2.008 178.613 176.600 0.008 0.000 0.992 190 E CA 1.451 57.862 56.400 0.018 0.000 0.804 190 E CB -0.138 29.574 29.700 0.019 0.000 0.741 190 E HN 0.599 nan 8.360 nan 0.000 0.458 191 S N 0.510 116.209 115.700 -0.002 0.000 2.522 191 S HA 0.101 4.572 4.470 0.001 0.000 0.227 191 S C 0.723 175.295 174.600 -0.046 0.000 0.986 191 S CA 0.107 58.297 58.200 -0.018 0.000 0.929 191 S CB 0.207 63.403 63.200 -0.007 0.000 0.769 191 S HN 0.282 nan 8.310 nan 0.000 0.529 192 A N 1.640 124.425 122.820 -0.059 0.000 2.540 192 A HA 0.392 4.712 4.320 0.001 0.000 0.239 192 A C 0.560 178.144 177.584 0.001 0.000 1.061 192 A CA -0.316 51.694 52.037 -0.045 0.000 0.758 192 A CB -0.459 18.574 19.000 0.054 0.000 0.991 192 A HN 0.676 nan 8.150 nan 0.000 0.502 193 c N 1.704 120.306 118.600 0.005 0.000 3.173 193 c HA 0.872 5.443 4.570 0.001 0.000 0.310 193 c C 0.121 174.230 174.090 0.031 0.000 1.306 193 c CA -1.024 55.316 56.329 0.019 0.000 1.426 193 c CB 0.763 43.279 42.510 0.012 0.000 1.800 193 c HN 1.112 nan 8.230 nan 0.000 0.470 194 N N 0.071 118.793 118.700 0.036 0.000 1.210 194 N HA -0.168 4.572 4.740 0.001 0.000 0.127 194 N C -0.225 175.322 175.510 0.063 0.000 0.844 194 N CA 1.610 54.686 53.050 0.043 0.000 0.899 194 N CB -1.421 37.087 38.487 0.036 0.000 1.086 194 N HN 1.018 nan 8.380 nan 0.000 0.588 195 T N 1.654 116.251 114.554 0.071 0.000 2.817 195 T HA 0.570 4.921 4.350 0.001 0.000 0.293 195 T C 0.297 175.072 174.700 0.125 0.000 0.964 195 T CA -0.371 61.788 62.100 0.099 0.000 1.085 195 T CB 0.746 69.675 68.868 0.101 0.000 0.921 195 T HN 0.526 nan 8.240 nan 0.000 0.502 196 V N 1.852 121.869 119.914 0.172 0.000 3.074 196 V HA 0.842 4.962 4.120 0.001 0.000 0.314 196 V C -0.784 175.488 176.094 0.298 0.000 1.117 196 V CA -1.432 61.001 62.300 0.221 0.000 1.014 196 V CB 2.100 34.100 31.823 0.295 0.000 1.057 196 V HN 0.794 nan 8.190 nan 0.000 0.438 197 R N 0.928 121.633 120.500 0.341 0.000 2.750 197 R HA 0.874 5.214 4.340 0.001 0.000 0.281 197 R C -1.515 175.037 176.300 0.421 0.000 0.972 197 R CA -0.720 55.623 56.100 0.404 0.000 0.912 197 R CB 2.403 32.981 30.300 0.463 0.000 1.187 197 R HN 0.742 nan 8.270 nan 0.000 0.464 198 V N 2.670 122.796 119.914 0.354 0.000 2.709 198 V HA 0.508 4.629 4.120 0.001 0.000 0.308 198 V C -1.195 174.979 176.094 0.133 0.000 1.062 198 V CA -0.681 61.732 62.300 0.190 0.000 0.901 198 V CB 2.186 33.953 31.823 -0.093 0.000 1.003 198 V HN 0.492 nan 8.190 nan 0.000 0.425 199 V N 8.125 128.077 119.914 0.063 0.000 2.347 199 V HA 0.528 4.648 4.120 0.001 0.000 0.280 199 V C -0.019 176.054 176.094 -0.035 0.000 1.021 199 V CA -0.304 61.966 62.300 -0.050 0.000 0.847 199 V CB 1.137 32.900 31.823 -0.101 0.000 0.990 199 V HN 0.719 nan 8.190 nan 0.000 0.444 200 L N 3.461 124.652 121.223 -0.053 0.000 2.303 200 L HA 0.626 4.967 4.340 0.001 0.000 0.266 200 L C 0.042 176.909 176.870 -0.006 0.000 1.011 200 L CA -0.794 54.043 54.840 -0.004 0.000 0.818 200 L CB 1.908 43.990 42.059 0.037 0.000 1.326 200 L HN 0.455 nan 8.230 nan 0.000 0.435 201 N N 0.453 119.174 118.700 0.035 0.000 2.462 201 N HA 0.169 4.909 4.740 0.001 0.000 0.242 201 N C 0.598 176.144 175.510 0.059 0.000 1.010 201 N CA -0.032 53.041 53.050 0.038 0.000 0.939 201 N CB 1.871 40.389 38.487 0.052 0.000 1.127 201 N HN 0.809 nan 8.380 nan 0.000 0.509 202 G N 1.387 110.230 108.800 0.073 0.000 2.598 202 G HA2 -0.111 3.849 3.960 0.001 0.000 0.215 202 G HA3 -0.111 3.849 3.960 0.001 0.000 0.215 202 G C 0.810 175.771 174.900 0.102 0.000 1.131 202 G CA 0.227 45.389 45.100 0.104 0.000 0.785 202 G HN 0.510 nan 8.290 nan 0.000 0.539 203 S N -0.015 115.746 115.700 0.102 0.000 2.660 203 S HA 0.386 4.857 4.470 0.001 0.000 0.227 203 S C 0.399 175.030 174.600 0.051 0.000 0.948 203 S CA -0.223 58.024 58.200 0.078 0.000 0.948 203 S CB -0.009 63.245 63.200 0.090 0.000 0.779 203 S HN 0.192 nan 8.310 nan 0.000 0.487 204 L N 0.524 121.777 121.223 0.050 0.000 2.322 204 L HA 0.426 4.767 4.340 0.001 0.000 0.269 204 L C 1.586 178.479 176.870 0.038 0.000 1.012 204 L CA -0.596 54.269 54.840 0.042 0.000 0.815 204 L CB 1.101 43.188 42.059 0.047 0.000 1.295 204 L HN 0.019 nan 8.230 nan 0.000 0.438 205 E N 0.793 121.012 120.200 0.032 0.000 2.077 205 E HA -0.118 4.233 4.350 0.001 0.000 0.193 205 E C -0.103 176.522 176.600 0.041 0.000 0.989 205 E CA 1.021 57.439 56.400 0.029 0.000 0.800 205 E CB 0.329 30.043 29.700 0.023 0.000 0.746 205 E HN 0.496 nan 8.360 nan 0.000 0.452 206 N N -0.473 118.255 118.700 0.047 0.000 2.524 206 N HA 0.184 4.925 4.740 0.001 0.000 0.261 206 N C -0.213 175.345 175.510 0.081 0.000 0.998 206 N CA 0.193 53.283 53.050 0.066 0.000 0.915 206 N CB 1.876 40.395 38.487 0.053 0.000 1.187 206 N HN 0.052 nan 8.380 nan 0.000 0.507 207 A N 2.123 125.010 122.820 0.111 0.000 1.933 207 A HA -0.083 4.237 4.320 0.001 0.000 0.218 207 A C 0.610 178.305 177.584 0.186 0.000 1.175 207 A CA 0.999 53.111 52.037 0.126 0.000 0.628 207 A CB -0.180 18.896 19.000 0.125 0.000 0.814 207 A HN 0.565 nan 8.150 nan 0.000 0.444 208 F N 1.129 121.121 119.950 0.069 0.000 2.391 208 F HA 0.479 5.007 4.527 0.001 0.000 0.359 208 F C -0.603 175.241 175.800 0.073 0.000 1.122 208 F CA -1.935 56.122 58.000 0.095 0.000 1.120 208 F CB 0.809 39.863 39.000 0.089 0.000 1.142 208 F HN 0.055 nan 8.300 nan 0.000 0.483 209 D N 3.683 123.743 120.400 -0.567 0.000 2.443 209 D HA 0.109 4.750 4.640 0.001 0.000 0.221 209 D C 0.922 176.770 176.300 -0.753 0.000 1.097 209 D CA -0.093 53.629 54.000 -0.464 0.000 0.865 209 D CB 1.313 41.993 40.800 -0.200 0.000 1.034 209 D HN 0.537 nan 8.370 nan 0.000 0.511 210 S N 3.385 118.699 115.700 -0.644 0.000 2.500 210 S HA -0.133 4.337 4.470 0.001 0.000 0.239 210 S C 1.456 175.907 174.600 -0.249 0.000 0.989 210 S CA 0.471 58.394 58.200 -0.462 0.000 0.951 210 S CB -0.159 62.975 63.200 -0.111 0.000 0.759 210 S HN 0.504 nan 8.310 nan 0.000 0.523 211 M N 2.059 121.540 119.600 -0.199 0.000 2.465 211 M HA 0.239 4.719 4.480 0.001 0.000 0.249 211 M C 1.123 177.365 176.300 -0.095 0.000 1.130 211 M CA 0.175 55.416 55.300 -0.100 0.000 1.067 211 M CB -0.653 31.926 32.600 -0.034 0.000 1.394 211 M HN 0.532 nan 8.290 nan 0.000 0.483 212 S N 0.216 115.831 115.700 -0.143 0.000 2.617 212 S HA 0.294 4.765 4.470 0.001 0.000 0.259 212 S C 1.395 175.922 174.600 -0.122 0.000 1.301 212 S CA -0.566 57.567 58.200 -0.111 0.000 0.984 212 S CB 0.975 64.122 63.200 -0.088 0.000 0.954 212 S HN 0.288 nan 8.310 nan 0.000 0.572 213 I N -0.134 120.361 120.570 -0.126 0.000 2.315 213 I HA -0.074 4.096 4.170 0.001 0.000 0.248 213 I C 2.205 178.275 176.117 -0.080 0.000 1.117 213 I CA 1.334 62.565 61.300 -0.115 0.000 1.404 213 I CB -0.459 37.463 38.000 -0.129 0.000 1.071 213 I HN 0.696 nan 8.210 nan 0.000 0.419 214 F N 1.988 121.830 119.950 -0.179 0.000 2.126 214 F HA -0.169 4.358 4.527 0.001 0.000 0.299 214 F C 2.234 177.989 175.800 -0.075 0.000 1.096 214 F CA 1.798 59.712 58.000 -0.143 0.000 1.255 214 F CB -0.754 38.185 39.000 -0.103 0.000 0.997 214 F HN -0.023 nan 8.300 nan 0.000 0.479 215 G N -0.405 108.271 108.800 -0.207 0.000 2.408 215 G HA2 -0.131 3.829 3.960 0.001 0.000 0.215 215 G HA3 -0.131 3.829 3.960 0.001 0.000 0.215 215 G C 1.858 176.654 174.900 -0.174 0.000 1.156 215 G CA 0.363 45.325 45.100 -0.229 0.000 0.793 215 G HN 0.308 nan 8.290 nan 0.000 0.535 216 R N -0.797 119.603 120.500 -0.166 0.000 2.112 216 R HA 0.170 4.511 4.340 0.001 0.000 0.216 216 R C 2.243 178.467 176.300 -0.126 0.000 1.080 216 R CA 0.828 56.855 56.100 -0.121 0.000 0.996 216 R CB 0.087 30.328 30.300 -0.099 0.000 0.902 216 R HN 0.324 nan 8.270 nan 0.000 0.449 217 V N -0.362 119.466 119.914 -0.144 0.000 3.013 217 V HA 0.025 4.146 4.120 0.001 0.000 0.238 217 V C 1.490 177.494 176.094 -0.151 0.000 1.161 217 V CA 0.756 62.987 62.300 -0.115 0.000 1.170 217 V CB 0.307 32.088 31.823 -0.070 0.000 0.917 217 V HN 0.163 nan 8.190 nan 0.000 0.478 218 E N 1.182 121.244 120.200 -0.230 0.000 2.014 218 E HA -0.012 4.339 4.350 0.001 0.000 0.190 218 E C 2.330 178.631 176.600 -0.499 0.000 0.980 218 E CA 1.179 57.387 56.400 -0.320 0.000 0.807 218 E CB -0.378 29.125 29.700 -0.327 0.000 0.770 218 E HN 0.455 nan 8.360 nan 0.000 0.451 219 A N 1.982 124.330 122.820 -0.787 0.000 1.884 219 A HA -0.160 4.160 4.320 0.001 0.000 0.219 219 A C -0.300 177.066 177.584 -0.364 0.000 1.197 219 A CA 1.758 53.388 52.037 -0.678 0.000 0.637 219 A CB -1.722 16.785 19.000 -0.822 0.000 0.827 219 A HN 0.154 nan 8.150 nan 0.000 0.450 220 P HA -0.074 nan 4.420 nan 0.000 0.225 220 P C 0.384 177.601 177.300 -0.138 0.000 1.148 220 P CA 1.367 64.361 63.100 -0.178 0.000 0.779 220 P CB -0.253 31.362 31.700 -0.141 0.000 0.780 221 N N -1.614 116.998 118.700 -0.145 0.000 2.236 221 N HA 0.123 4.864 4.740 0.001 0.000 0.196 221 N C -0.007 175.457 175.510 -0.077 0.000 1.114 221 N CA -0.215 52.779 53.050 -0.092 0.000 0.859 221 N CB -0.113 38.335 38.487 -0.065 0.000 0.982 221 N HN 0.077 nan 8.380 nan 0.000 0.493 222 L N 1.508 122.667 121.223 -0.107 0.000 2.456 222 L HA 0.164 4.504 4.340 0.001 0.000 0.272 222 L C 0.682 177.529 176.870 -0.038 0.000 1.189 222 L CA -0.083 54.721 54.840 -0.060 0.000 0.846 222 L CB 0.511 42.528 42.059 -0.071 0.000 1.111 222 L HN 0.068 nan 8.230 nan 0.000 0.475 223 R N 3.008 123.500 120.500 -0.013 0.000 2.594 223 R HA 0.221 4.562 4.340 0.001 0.000 0.272 223 R C -2.226 174.071 176.300 -0.006 0.000 1.074 223 R CA -1.532 54.562 56.100 -0.009 0.000 1.105 223 R CB 0.063 30.363 30.300 -0.000 0.000 1.008 223 R HN 0.341 nan 8.270 nan 0.000 0.472 224 P HA -0.090 nan 4.420 nan 0.000 0.268 224 P C -0.531 176.771 177.300 0.004 0.000 1.208 224 P CA 0.298 63.395 63.100 -0.006 0.000 0.777 224 P CB 0.573 32.268 31.700 -0.009 0.000 0.875 225 Q N -2.752 117.053 119.800 0.009 0.000 2.311 225 Q HA -0.166 4.175 4.340 0.001 0.000 0.178 225 Q C -0.051 175.965 176.000 0.026 0.000 0.596 225 Q CA 0.543 56.355 55.803 0.016 0.000 1.377 225 Q CB -1.933 26.813 28.738 0.012 0.000 1.372 225 Q HN 0.272 nan 8.270 nan 0.000 0.896 226 V N 1.871 121.803 119.914 0.031 0.000 2.963 226 V HA 0.004 4.124 4.120 0.001 0.000 0.306 226 V C 0.612 176.742 176.094 0.061 0.000 1.077 226 V CA 0.892 63.222 62.300 0.050 0.000 1.124 226 V CB 1.242 33.101 31.823 0.060 0.000 0.987 226 V HN 0.103 nan 8.190 nan 0.000 0.487 227 E N 3.346 123.592 120.200 0.078 0.000 2.165 227 E HA 0.433 4.783 4.350 0.001 0.000 0.266 227 E C -1.191 175.484 176.600 0.126 0.000 0.889 227 E CA -0.828 55.624 56.400 0.087 0.000 0.756 227 E CB 2.234 31.972 29.700 0.063 0.000 1.131 227 E HN 0.388 nan 8.360 nan 0.000 0.411 228 L N 2.764 124.084 121.223 0.161 0.000 2.272 228 L HA 0.282 4.623 4.340 0.001 0.000 0.289 228 L C -0.654 176.301 176.870 0.142 0.000 1.032 228 L CA -0.154 54.821 54.840 0.224 0.000 0.810 228 L CB 0.991 43.234 42.059 0.307 0.000 1.205 228 L HN 0.439 nan 8.230 nan 0.000 0.422 229 E N 4.176 124.447 120.200 0.117 0.000 2.146 229 E HA 0.629 4.979 4.350 0.001 0.000 0.282 229 E C -0.800 175.763 176.600 -0.062 0.000 0.989 229 E CA -0.576 55.786 56.400 -0.063 0.000 0.799 229 E CB 1.350 31.075 29.700 0.042 0.000 1.088 229 E HN 0.756 nan 8.360 nan 0.000 0.397 230 A N 3.793 126.428 122.820 -0.309 0.000 2.317 230 A HA 0.522 4.842 4.320 0.001 0.000 0.327 230 A C -1.497 175.834 177.584 -0.422 0.000 1.178 230 A CA -0.583 51.363 52.037 -0.153 0.000 0.817 230 A CB 0.423 19.471 19.000 0.079 0.000 1.189 230 A HN 0.637 nan 8.150 nan 0.000 0.489 231 W N 2.495 123.725 121.300 -0.117 0.000 2.424 231 W HA 0.543 5.202 4.660 -0.002 0.000 0.318 231 W C -1.029 175.332 176.519 -0.263 0.000 1.016 231 W CA -0.416 56.795 57.345 -0.222 0.000 1.268 231 W CB 1.421 30.641 29.460 -0.399 0.000 1.297 231 W HN 0.355 nan 8.180 nan 0.000 0.428 232 L N 4.638 125.861 121.223 0.001 0.000 2.261 232 L HA 0.436 4.776 4.340 0.001 0.000 0.289 232 L C -0.066 176.794 176.870 -0.017 0.000 1.059 232 L CA -0.425 54.414 54.840 -0.002 0.000 0.816 232 L CB 0.472 42.553 42.059 0.037 0.000 1.191 232 L HN 0.135 nan 8.230 nan 0.000 0.431 233 V N 3.029 122.888 119.914 -0.092 0.000 2.513 233 V HA 0.520 4.640 4.120 0.001 0.000 0.299 233 V C -0.325 175.752 176.094 -0.030 0.000 1.035 233 V CA -0.805 61.415 62.300 -0.132 0.000 0.889 233 V CB 1.495 33.138 31.823 -0.300 0.000 0.988 233 V HN 0.903 nan 8.190 nan 0.000 0.440 234 H N 0.675 119.738 119.070 -0.012 0.000 2.710 234 H HA 0.695 5.251 4.556 0.001 0.000 0.361 234 H C -1.197 174.138 175.328 0.011 0.000 1.175 234 H CA -1.181 54.869 56.048 0.003 0.000 1.206 234 H CB 1.291 31.060 29.762 0.011 0.000 1.750 234 H HN 0.502 nan 8.280 nan 0.000 0.553 235 D N 1.123 121.613 120.400 0.150 0.000 2.210 235 D HA 0.285 4.926 4.640 0.001 0.000 0.249 235 D C 0.438 176.841 176.300 0.171 0.000 1.078 235 D CA -0.123 53.930 54.000 0.087 0.000 0.875 235 D CB 1.372 42.210 40.800 0.064 0.000 1.175 235 D HN 0.942 nan 8.370 nan 0.000 0.440 236 T N -0.209 114.405 114.554 0.100 0.000 2.946 236 T HA 0.391 4.742 4.350 0.001 0.000 0.311 236 T C 1.094 175.843 174.700 0.082 0.000 1.063 236 T CA -0.008 62.157 62.100 0.109 0.000 1.139 236 T CB 0.303 69.209 68.868 0.063 0.000 0.994 236 T HN 0.390 nan 8.240 nan 0.000 0.547 237 G N 0.689 109.533 108.800 0.073 0.000 3.839 237 G HA2 0.526 4.486 3.960 0.001 0.000 0.286 237 G HA3 0.526 4.486 3.960 0.001 0.000 0.286 237 G C 0.610 175.544 174.900 0.057 0.000 1.005 237 G CA 0.725 45.874 45.100 0.083 0.000 0.824 237 G HN 1.048 nan 8.290 nan 0.000 0.489 238 K N 1.859 122.286 120.400 0.046 0.000 2.355 238 K HA 0.557 4.877 4.320 0.001 0.000 0.270 238 K C -1.978 174.597 176.600 -0.042 0.000 1.003 238 K CA -1.203 55.089 56.287 0.008 0.000 0.957 238 K CB -0.610 31.896 32.500 0.011 0.000 0.939 238 K HN 0.223 nan 8.250 nan 0.000 0.482 239 P HA 0.193 nan 4.420 nan 0.000 0.270 239 P C -2.494 174.672 177.300 -0.224 0.000 1.223 239 P CA -1.224 61.771 63.100 -0.175 0.000 0.785 239 P CB -0.475 31.162 31.700 -0.104 0.000 0.923 240 P HA 0.087 nan 4.420 nan 0.000 0.266 240 P C 0.544 177.788 177.300 -0.092 0.000 1.195 240 P CA 0.340 63.293 63.100 -0.244 0.000 0.768 240 P CB 0.134 31.684 31.700 -0.251 0.000 0.838 241 S N -0.277 115.404 115.700 -0.031 0.000 2.524 241 S HA 0.065 4.536 4.470 0.001 0.000 0.216 241 S C 0.384 174.988 174.600 0.007 0.000 0.987 241 S CA 0.529 58.724 58.200 -0.008 0.000 0.909 241 S CB -0.102 63.103 63.200 0.008 0.000 0.781 241 S HN 0.562 nan 8.310 nan 0.000 0.521 242 D N 0.063 120.473 120.400 0.017 0.000 2.570 242 D HA 0.644 5.285 4.640 0.001 0.000 0.244 242 D C -0.758 175.563 176.300 0.034 0.000 1.178 242 D CA -0.248 53.772 54.000 0.033 0.000 0.881 242 D CB 2.126 42.958 40.800 0.054 0.000 1.453 242 D HN 0.163 nan 8.370 nan 0.000 0.447 243 S N -0.639 115.084 115.700 0.039 0.000 2.752 243 S HA 0.283 4.754 4.470 0.001 0.000 0.284 243 S C 0.650 175.275 174.600 0.043 0.000 1.189 243 S CA -0.496 57.726 58.200 0.036 0.000 0.835 243 S CB 0.633 63.845 63.200 0.020 0.000 1.192 243 S HN 0.500 nan 8.310 nan 0.000 0.506 244 c N 1.922 120.540 118.600 0.029 0.000 2.419 244 c HA 0.084 4.654 4.570 0.001 0.000 0.283 244 c C 2.528 176.644 174.090 0.044 0.000 1.373 244 c CA 1.156 57.506 56.329 0.036 0.000 1.781 244 c CB -1.639 40.863 42.510 -0.013 0.000 1.886 244 c HN 0.914 nan 8.230 nan 0.000 0.520 245 S N -0.133 115.584 115.700 0.028 0.000 2.577 245 S HA 0.290 4.761 4.470 0.001 0.000 0.219 245 S C 0.827 175.443 174.600 0.026 0.000 0.962 245 S CA 0.170 58.385 58.200 0.024 0.000 0.921 245 S CB -0.039 63.168 63.200 0.013 0.000 0.789 245 S HN 0.559 nan 8.310 nan 0.000 0.497 246 G N 1.010 109.831 108.800 0.035 0.000 2.580 246 G HA2 0.419 4.379 3.960 0.001 0.000 0.278 246 G HA3 0.419 4.379 3.960 0.001 0.000 0.278 246 G C 0.654 175.577 174.900 0.038 0.000 1.212 246 G CA -0.366 44.755 45.100 0.036 0.000 0.939 246 G HN 0.241 nan 8.290 nan 0.000 0.513 247 S N -0.364 115.359 115.700 0.039 0.000 2.356 247 S HA -0.198 4.273 4.470 0.001 0.000 0.223 247 S C 2.855 177.491 174.600 0.060 0.000 1.032 247 S CA 1.834 60.057 58.200 0.039 0.000 1.005 247 S CB -0.398 62.823 63.200 0.036 0.000 0.867 247 S HN 0.848 nan 8.310 nan 0.000 0.449 248 S N 1.982 117.738 115.700 0.093 0.000 2.368 248 S HA -0.039 4.431 4.470 0.001 0.000 0.225 248 S C 1.777 176.478 174.600 0.167 0.000 1.030 248 S CA 0.851 59.155 58.200 0.173 0.000 0.999 248 S CB -0.561 62.755 63.200 0.194 0.000 0.844 248 S HN 0.342 nan 8.310 nan 0.000 0.459 249 I N 2.107 122.731 120.570 0.091 0.000 2.614 249 I HA -0.018 4.153 4.170 0.001 0.000 0.258 249 I C 2.706 178.761 176.117 -0.104 0.000 1.189 249 I CA 0.939 62.237 61.300 -0.004 0.000 1.462 249 I CB -1.069 36.981 38.000 0.083 0.000 1.092 249 I HN 0.395 nan 8.210 nan 0.000 0.442 250 R N 1.188 121.662 120.500 -0.042 0.000 2.115 250 R HA -0.155 4.186 4.340 0.001 0.000 0.230 250 R C 2.201 178.425 176.300 -0.127 0.000 1.111 250 R CA 1.217 57.276 56.100 -0.069 0.000 0.976 250 R CB -0.117 30.169 30.300 -0.023 0.000 0.870 250 R HN 0.501 nan 8.270 nan 0.000 0.445 251 K N 0.288 120.629 120.400 -0.098 0.000 2.228 251 K HA -0.072 4.248 4.320 0.001 0.000 0.202 251 K C 1.991 178.390 176.600 -0.335 0.000 1.051 251 K CA 0.771 56.997 56.287 -0.103 0.000 0.960 251 K CB -0.219 32.325 32.500 0.073 0.000 0.743 251 K HN 0.049 nan 8.250 nan 0.000 0.458 252 L N 2.340 123.140 121.223 -0.705 0.000 2.056 252 L HA -0.078 4.263 4.340 0.001 0.000 0.207 252 L C 2.448 178.846 176.870 -0.786 0.000 1.078 252 L CA 1.764 55.927 54.840 -1.128 0.000 0.749 252 L CB -0.411 40.783 42.059 -1.442 0.000 0.901 252 L HN 0.142 nan 8.230 nan 0.000 0.433 253 K N -1.168 118.823 120.400 -0.682 0.000 2.097 253 K HA -0.190 4.130 4.320 0.001 0.000 0.206 253 K C 2.319 178.725 176.600 -0.324 0.000 1.049 253 K CA 1.394 57.348 56.287 -0.556 0.000 0.933 253 K CB -0.220 32.096 32.500 -0.307 0.000 0.717 253 K HN 0.456 nan 8.250 nan 0.000 0.442 254 S N 0.854 116.400 115.700 -0.256 0.000 2.353 254 S HA -0.154 4.316 4.470 0.001 0.000 0.222 254 S C 1.930 176.424 174.600 -0.177 0.000 1.035 254 S CA 1.501 59.600 58.200 -0.169 0.000 1.025 254 S CB -0.292 62.833 63.200 -0.124 0.000 0.902 254 S HN 0.357 nan 8.310 nan 0.000 0.440 255 I N 1.416 121.853 120.570 -0.222 0.000 2.151 255 I HA -0.234 3.936 4.170 0.001 0.000 0.243 255 I C 2.238 178.233 176.117 -0.204 0.000 1.080 255 I CA 1.369 62.547 61.300 -0.203 0.000 1.339 255 I CB -0.387 37.470 38.000 -0.238 0.000 1.039 255 I HN 0.334 nan 8.210 nan 0.000 0.409 256 L N -0.216 120.847 121.223 -0.265 0.000 2.056 256 L HA -0.188 4.153 4.340 0.001 0.000 0.207 256 L C 2.116 178.908 176.870 -0.129 0.000 1.078 256 L CA 1.043 55.759 54.840 -0.207 0.000 0.749 256 L CB -0.768 41.131 42.059 -0.267 0.000 0.901 256 L HN 0.217 nan 8.230 nan 0.000 0.433 257 D N 0.505 120.827 120.400 -0.130 0.000 2.182 257 D HA -0.144 4.496 4.640 0.001 0.000 0.201 257 D C 2.119 178.378 176.300 -0.067 0.000 0.986 257 D CA 1.542 55.495 54.000 -0.078 0.000 0.847 257 D CB -0.198 40.558 40.800 -0.074 0.000 0.942 257 D HN 0.376 nan 8.370 nan 0.000 0.467 258 G N -0.295 108.456 108.800 -0.082 0.000 2.572 258 G HA2 -0.147 3.813 3.960 0.001 0.000 0.216 258 G HA3 -0.147 3.813 3.960 0.001 0.000 0.216 258 G C 1.556 176.420 174.900 -0.061 0.000 1.133 258 G CA -0.044 45.016 45.100 -0.067 0.000 0.791 258 G HN 0.103 nan 8.290 nan 0.000 0.538 259 R N -0.044 120.414 120.500 -0.071 0.000 2.362 259 R HA 0.103 4.443 4.340 0.001 0.000 0.227 259 R C 0.690 176.964 176.300 -0.042 0.000 0.905 259 R CA 0.087 56.150 56.100 -0.061 0.000 1.067 259 R CB -0.425 29.828 30.300 -0.079 0.000 1.078 259 R HN 0.362 nan 8.270 nan 0.000 0.516 260 N N 0.181 118.859 118.700 -0.037 0.000 2.758 260 N HA -0.159 4.582 4.740 0.001 0.000 0.248 260 N C -1.566 173.937 175.510 -0.012 0.000 1.076 260 N CA 0.394 53.431 53.050 -0.021 0.000 0.696 260 N CB -1.003 37.475 38.487 -0.016 0.000 0.979 260 N HN -0.065 nan 8.380 nan 0.000 0.550 261 V N 1.087 120.991 119.914 -0.015 0.000 2.357 261 V HA 0.253 4.374 4.120 0.001 0.000 0.284 261 V C 0.793 176.911 176.094 0.041 0.000 1.018 261 V CA -0.831 61.474 62.300 0.008 0.000 0.841 261 V CB 1.473 33.291 31.823 -0.008 0.000 0.991 261 V HN 0.259 nan 8.190 nan 0.000 0.437 262 K N 3.846 124.281 120.400 0.058 0.000 2.382 262 K HA 0.267 4.588 4.320 0.001 0.000 0.275 262 K C -1.195 175.501 176.600 0.160 0.000 1.009 262 K CA -0.114 56.222 56.287 0.082 0.000 0.970 262 K CB 0.481 33.010 32.500 0.048 0.000 0.934 262 K HN 0.489 nan 8.250 nan 0.000 0.479 263 F N 3.716 123.643 119.950 -0.038 0.000 2.539 263 F HA 0.430 4.958 4.527 0.002 0.000 0.318 263 F C -1.098 174.662 175.800 -0.066 0.000 1.135 263 F CA -0.709 57.261 58.000 -0.051 0.000 0.915 263 F CB 1.417 40.377 39.000 -0.067 0.000 1.176 263 F HN 0.456 nan 8.300 nan 0.000 0.440 264 R N 4.774 124.858 120.500 -0.694 0.000 2.561 264 R HA 0.603 4.944 4.340 0.001 0.000 0.297 264 R C -1.725 173.953 176.300 -1.036 0.000 0.969 264 R CA -0.789 54.889 56.100 -0.704 0.000 0.879 264 R CB 1.871 31.941 30.300 -0.383 0.000 1.178 264 R HN 0.740 nan 8.270 nan 0.000 0.445 265 c N 4.524 122.601 118.600 -0.873 0.000 2.369 265 c HA 0.670 5.241 4.570 0.001 0.000 0.322 265 c C -1.040 172.761 174.090 -0.480 0.000 1.258 265 c CA -0.589 55.321 56.329 -0.697 0.000 1.487 265 c CB 0.657 42.879 42.510 -0.479 0.000 2.165 265 c HN 0.756 nan 8.230 nan 0.000 0.483 266 M N 6.053 125.330 119.600 -0.537 0.000 2.383 266 M HA 0.549 5.029 4.480 0.001 0.000 0.325 266 M C -0.345 175.858 176.300 -0.161 0.000 1.092 266 M CA 0.054 55.111 55.300 -0.405 0.000 0.961 266 M CB 1.766 33.914 32.600 -0.753 0.000 1.672 266 M HN 0.857 nan 8.290 nan 0.000 0.438 267 D N 0.202 120.577 120.400 -0.042 0.000 2.867 267 D HA 0.412 5.052 4.640 0.001 0.000 0.308 267 D C -0.605 175.753 176.300 0.097 0.000 1.202 267 D CA -0.751 53.272 54.000 0.038 0.000 1.035 267 D CB 0.228 41.043 40.800 0.025 0.000 1.427 267 D HN 0.508 nan 8.370 nan 0.000 0.570 268 N N -1.171 117.616 118.700 0.145 0.000 2.696 268 N HA -0.125 4.616 4.740 0.001 0.000 0.256 268 N C -1.434 174.201 175.510 0.209 0.000 1.031 268 N CA 0.968 54.140 53.050 0.203 0.000 0.730 268 N CB -1.602 36.956 38.487 0.118 0.000 0.894 268 N HN 0.637 nan 8.380 nan 0.000 0.544 269 L N -2.218 119.102 121.223 0.161 0.000 2.469 269 L HA 0.801 5.142 4.340 0.001 0.000 0.256 269 L C 0.336 177.008 176.870 -0.330 0.000 1.006 269 L CA -1.172 53.674 54.840 0.010 0.000 0.832 269 L CB 0.866 42.984 42.059 0.099 0.000 1.421 269 L HN 0.170 nan 8.230 nan 0.000 0.410 270 S N -0.234 115.274 115.700 -0.320 0.000 2.681 270 S HA 0.556 5.027 4.470 0.001 0.000 0.270 270 S C 0.985 175.518 174.600 -0.113 0.000 1.209 270 S CA -0.487 57.491 58.200 -0.370 0.000 0.988 270 S CB 1.182 64.250 63.200 -0.220 0.000 1.006 270 S HN 0.719 nan 8.310 nan 0.000 0.558 271 R N 0.469 120.924 120.500 -0.074 0.000 2.133 271 R HA -0.174 4.166 4.340 0.001 0.000 0.245 271 R C 1.500 177.842 176.300 0.069 0.000 1.137 271 R CA 2.395 58.514 56.100 0.033 0.000 0.947 271 R CB -0.749 29.562 30.300 0.018 0.000 0.865 271 R HN 0.702 nan 8.270 nan 0.000 0.437 272 D N 0.130 120.544 120.400 0.023 0.000 2.117 272 D HA -0.142 4.499 4.640 0.001 0.000 0.197 272 D C 2.062 178.375 176.300 0.022 0.000 0.987 272 D CA 1.184 55.195 54.000 0.018 0.000 0.829 272 D CB -0.221 40.583 40.800 0.007 0.000 0.961 272 D HN 0.350 nan 8.370 nan 0.000 0.460 273 Q N -0.725 119.095 119.800 0.033 0.000 2.124 273 Q HA -0.140 4.200 4.340 0.001 0.000 0.202 273 Q C 1.996 178.046 176.000 0.084 0.000 0.977 273 Q CA 0.747 56.580 55.803 0.050 0.000 0.850 273 Q CB -0.189 28.582 28.738 0.054 0.000 0.901 273 Q HN 0.268 nan 8.270 nan 0.000 0.429 274 F N 1.234 121.142 119.950 -0.071 0.000 2.113 274 F HA -0.114 4.414 4.527 0.002 0.000 0.297 274 F C 1.651 177.384 175.800 -0.111 0.000 1.103 274 F CA 1.210 59.133 58.000 -0.129 0.000 1.248 274 F CB -0.161 38.742 39.000 -0.161 0.000 0.999 274 F HN -0.063 nan 8.300 nan 0.000 0.475 275 L N 0.380 121.505 121.223 -0.164 0.000 2.465 275 L HA -0.061 4.279 4.340 0.001 0.000 0.224 275 L C 1.394 178.160 176.870 -0.173 0.000 1.145 275 L CA 0.270 54.975 54.840 -0.225 0.000 0.834 275 L CB -0.917 41.097 42.059 -0.074 0.000 0.944 275 L HN 0.322 nan 8.230 nan 0.000 0.451 276 Q N 0.000 119.729 119.800 -0.118 0.000 2.315 276 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 276 Q CA 0.000 55.754 55.803 -0.081 0.000 1.022 276 Q CB 0.000 28.716 28.738 -0.037 0.000 1.108 276 Q HN 0.000 nan 8.270 nan 0.000 0.481