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 3d0r_1_A DATA FIRST_RESID -2 DATA SEQUENCE HMRVLFVSSP GIGHLFPLIQ LAWGFRTAGH DVLIAVAEHA DRAAAAGLEV DATA SEQUENCE VDVAPDYSAV KVFEQVAKDN PRFAETVATR PAIDLEEWGV QIAAVNRPLV DATA SEQUENCE DGTMALVDDY RPDLVVYEQG ATVGLLAADR AGVPAVQRNQ SAWRTRGMHR DATA SEQUENCE SIASFLTDLM DKHQVSLPEP VATIESFPPS LLLEAEPEGW FMRWVPYGGG DATA SEQUENCE AVLGDRLPPV PARPEVAITM GTIELQAFGI GAVEPIIAAA GEVDADFVLA DATA SEQUENCE LGDLDISPLG TLPRNVRAVG WTPLHTLLRT CTAVVHHGGG GTVMTAIDAG DATA SEQUENCE IPQLLAPDPR DQFQHTAREA VSRRGIGLVS TSDKVDADLL RRLIGDESLR DATA SEQUENCE TAAREVREEM VALPTPAETV RRIVERIS 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 -2 H HA 0.000 nan 4.556 nan 0.000 0.296 -2 H C 0.000 175.462 175.328 0.224 0.000 0.993 -2 H CA 0.000 56.162 56.048 0.191 0.000 1.023 -2 H CB 0.000 29.804 29.762 0.070 0.000 1.292 -1 M N 3.661 123.193 119.600 -0.113 0.000 2.664 -1 M HA 0.530 5.012 4.480 0.002 0.000 0.314 -1 M C -0.129 176.038 176.300 -0.221 0.000 1.200 -1 M CA -1.035 54.187 55.300 -0.130 0.000 0.916 -1 M CB 2.695 35.192 32.600 -0.172 0.000 1.717 -1 M HN 0.356 nan 8.290 nan 0.000 0.470 0 R N 1.028 121.418 120.500 -0.184 0.000 2.229 0 R HA 0.579 4.921 4.340 0.002 0.000 0.332 0 R C -1.362 174.829 176.300 -0.183 0.000 0.989 0 R CA -0.508 55.460 56.100 -0.220 0.000 0.842 0 R CB 1.220 31.173 30.300 -0.579 0.000 1.119 0 R HN 0.427 nan 8.270 nan 0.000 0.456 1 V N 5.158 125.059 119.914 -0.022 0.000 2.370 1 V HA 0.255 4.376 4.120 0.002 0.000 0.283 1 V C -0.500 175.685 176.094 0.152 0.000 1.023 1 V CA -0.891 61.336 62.300 -0.122 0.000 0.857 1 V CB 1.495 33.045 31.823 -0.454 0.000 0.985 1 V HN 0.487 nan 8.190 nan 0.000 0.443 2 L N 5.956 127.227 121.223 0.080 0.000 2.264 2 L HA 0.608 4.949 4.340 0.002 0.000 0.289 2 L C -0.788 176.039 176.870 -0.072 0.000 1.044 2 L CA 0.215 55.123 54.840 0.114 0.000 0.807 2 L CB 0.616 42.751 42.059 0.127 0.000 1.192 2 L HN 0.446 nan 8.230 nan 0.000 0.425 3 F N 4.241 124.154 119.950 -0.061 0.000 2.399 3 F HA 0.637 5.165 4.527 0.002 0.000 0.334 3 F C -0.073 175.708 175.800 -0.033 0.000 1.097 3 F CA -0.448 57.521 58.000 -0.052 0.000 1.076 3 F CB 1.860 40.827 39.000 -0.057 0.000 1.162 3 F HN 0.118 nan 8.300 nan 0.000 0.495 4 V N 2.302 122.288 119.914 0.121 0.000 2.525 4 V HA 0.429 4.550 4.120 0.002 0.000 0.299 4 V C -0.782 175.369 176.094 0.095 0.000 1.034 4 V CA -0.658 61.690 62.300 0.079 0.000 0.863 4 V CB 1.748 33.591 31.823 0.034 0.000 0.999 4 V HN 0.704 nan 8.190 nan 0.000 0.423 5 S N 3.204 118.943 115.700 0.065 0.000 2.605 5 S HA 0.625 5.097 4.470 0.002 0.000 0.308 5 S C -0.058 174.561 174.600 0.032 0.000 1.113 5 S CA -0.372 57.868 58.200 0.067 0.000 1.049 5 S CB 1.439 64.689 63.200 0.083 0.000 1.001 5 S HN 1.063 nan 8.310 nan 0.000 0.480 6 S N 5.033 120.768 115.700 0.059 0.000 2.632 6 S HA 0.638 5.109 4.470 0.002 0.000 0.271 6 S C -2.883 171.751 174.600 0.056 0.000 1.260 6 S CA -1.245 56.971 58.200 0.025 0.000 1.010 6 S CB 0.406 63.635 63.200 0.050 0.000 0.965 6 S HN 0.494 nan 8.310 nan 0.000 0.534 7 P HA 0.454 nan 4.420 nan 0.000 0.265 7 P C 0.312 177.450 177.300 -0.270 0.000 1.187 7 P CA 0.826 63.763 63.100 -0.271 0.000 0.766 7 P CB 0.214 31.572 31.700 -0.570 0.000 0.820 8 G N 1.840 110.351 108.800 -0.481 0.000 2.345 8 G HA2 0.156 4.117 3.960 0.002 0.000 0.310 8 G HA3 0.156 4.117 3.960 0.002 0.000 0.310 8 G C -1.595 172.814 174.900 -0.818 0.000 1.476 8 G CA -0.919 43.695 45.100 -0.810 0.000 0.978 8 G HN 0.311 nan 8.290 nan 0.000 0.656 9 I N 1.700 121.938 120.570 -0.552 0.000 2.533 9 I HA 0.398 4.570 4.170 0.002 0.000 0.284 9 I C 1.759 177.779 176.117 -0.163 0.000 1.109 9 I CA 1.534 62.669 61.300 -0.276 0.000 1.412 9 I CB -0.042 37.867 38.000 -0.153 0.000 1.396 9 I HN 2.081 nan 8.210 nan 0.000 0.543 10 G N 5.026 113.775 108.800 -0.084 0.000 2.179 10 G HA2 -0.315 3.646 3.960 0.002 0.000 0.260 10 G HA3 -0.315 3.646 3.960 0.002 0.000 0.260 10 G C 1.019 176.032 174.900 0.188 0.000 0.977 10 G CA 0.526 45.667 45.100 0.068 0.000 0.641 10 G HN 0.788 nan 8.290 nan 0.000 0.533 11 H N -1.138 117.922 119.070 -0.017 0.000 2.363 11 H HA 0.118 4.676 4.556 0.003 0.000 0.301 11 H C 2.650 178.006 175.328 0.046 0.000 1.074 11 H CA 1.189 57.242 56.048 0.007 0.000 1.354 11 H CB 0.181 29.924 29.762 -0.031 0.000 1.397 11 H HN 0.372 nan 8.280 nan 0.000 0.516 12 L N 0.056 121.372 121.223 0.154 0.000 2.068 12 L HA -0.087 4.254 4.340 0.002 0.000 0.204 12 L C 1.783 178.822 176.870 0.282 0.000 1.076 12 L CA 1.268 56.203 54.840 0.159 0.000 0.753 12 L CB -0.479 41.642 42.059 0.103 0.000 0.910 12 L HN 0.063 nan 8.230 nan 0.000 0.439 13 F N 0.666 120.693 119.950 0.128 0.000 2.171 13 F HA 0.017 4.545 4.527 0.002 0.000 0.300 13 F C -0.377 175.456 175.800 0.054 0.000 1.090 13 F CA 0.364 58.452 58.000 0.147 0.000 1.293 13 F CB -2.478 36.693 39.000 0.285 0.000 1.013 13 F HN 0.224 nan 8.300 nan 0.000 0.486 14 P HA -0.084 nan 4.420 nan 0.000 0.231 14 P C 1.660 179.008 177.300 0.080 0.000 1.158 14 P CA 1.105 64.341 63.100 0.227 0.000 0.763 14 P CB -0.161 31.774 31.700 0.390 0.000 0.805 15 L N -1.795 119.458 121.223 0.051 0.000 2.446 15 L HA -0.006 4.335 4.340 0.002 0.000 0.219 15 L C 1.960 178.676 176.870 -0.256 0.000 1.116 15 L CA 0.287 55.140 54.840 0.022 0.000 0.844 15 L CB -0.500 41.638 42.059 0.133 0.000 0.970 15 L HN -0.070 nan 8.230 nan 0.000 0.457 16 I N -0.053 120.244 120.570 -0.456 0.000 2.179 16 I HA -0.235 3.936 4.170 0.002 0.000 0.242 16 I C 2.626 178.120 176.117 -1.038 0.000 1.088 16 I CA 1.335 62.063 61.300 -0.953 0.000 1.357 16 I CB -1.076 36.024 38.000 -1.499 0.000 1.051 16 I HN 0.362 nan 8.210 nan 0.000 0.409 17 Q N 0.539 119.905 119.800 -0.724 0.000 2.096 17 Q HA -0.151 4.190 4.340 0.002 0.000 0.204 17 Q C 2.475 178.384 176.000 -0.152 0.000 0.982 17 Q CA 1.372 56.938 55.803 -0.394 0.000 0.850 17 Q CB -0.563 28.023 28.738 -0.253 0.000 0.901 17 Q HN 0.514 nan 8.270 nan 0.000 0.422 18 L N 0.045 121.217 121.223 -0.085 0.000 2.046 18 L HA -0.169 4.172 4.340 0.002 0.000 0.208 18 L C 2.495 179.495 176.870 0.217 0.000 1.077 18 L CA 1.069 56.006 54.840 0.160 0.000 0.747 18 L CB -0.660 41.629 42.059 0.384 0.000 0.896 18 L HN 0.136 nan 8.230 nan 0.000 0.432 19 A N -0.478 122.139 122.820 -0.339 0.000 1.877 19 A HA -0.226 4.096 4.320 0.002 0.000 0.216 19 A C 1.949 179.528 177.584 -0.007 0.000 1.186 19 A CA 1.484 53.147 52.037 -0.623 0.000 0.620 19 A CB -0.846 17.515 19.000 -1.064 0.000 0.822 19 A HN 0.492 nan 8.150 nan 0.000 0.443 20 W N -0.157 121.045 121.300 -0.163 0.000 2.363 20 W HA 0.003 4.664 4.660 0.002 0.000 0.296 20 W C 2.522 179.028 176.519 -0.022 0.000 1.212 20 W CA 0.505 57.792 57.345 -0.096 0.000 1.260 20 W CB -1.478 27.898 29.460 -0.140 0.000 1.131 20 W HN 0.400 nan 8.180 nan 0.000 0.530 21 G N -0.451 108.478 108.800 0.215 0.000 2.418 21 G HA2 -0.271 3.690 3.960 0.002 0.000 0.217 21 G HA3 -0.271 3.690 3.960 0.002 0.000 0.217 21 G C 1.458 176.393 174.900 0.057 0.000 1.158 21 G CA 0.708 45.855 45.100 0.077 0.000 0.771 21 G HN 0.116 nan 8.290 nan 0.000 0.545 22 F N 0.654 120.721 119.950 0.195 0.000 2.134 22 F HA 0.039 4.568 4.527 0.002 0.000 0.299 22 F C 2.746 178.698 175.800 0.253 0.000 1.097 22 F CA 1.450 59.602 58.000 0.254 0.000 1.264 22 F CB -0.162 38.998 39.000 0.267 0.000 1.001 22 F HN 0.022 nan 8.300 nan 0.000 0.479 23 R N 0.709 121.422 120.500 0.356 0.000 2.075 23 R HA -0.118 4.223 4.340 0.002 0.000 0.232 23 R C 2.204 178.583 176.300 0.132 0.000 1.126 23 R CA 2.128 58.364 56.100 0.227 0.000 0.963 23 R CB -1.295 29.114 30.300 0.183 0.000 0.858 23 R HN 0.346 nan 8.270 nan 0.000 0.435 24 T N -2.643 111.973 114.554 0.103 0.000 3.051 24 T HA 0.071 4.422 4.350 0.002 0.000 0.269 24 T C 1.558 176.277 174.700 0.032 0.000 1.127 24 T CA 0.813 62.936 62.100 0.038 0.000 1.107 24 T CB -0.135 68.740 68.868 0.012 0.000 0.898 24 T HN 0.215 nan 8.240 nan 0.000 0.517 25 A N 0.475 123.335 122.820 0.066 0.000 2.307 25 A HA 0.649 4.970 4.320 0.002 0.000 0.218 25 A C 1.923 179.423 177.584 -0.139 0.000 1.228 25 A CA 0.335 52.390 52.037 0.030 0.000 0.857 25 A CB -0.878 18.206 19.000 0.141 0.000 0.897 25 A HN 1.221 nan 8.150 nan 0.000 0.495 26 G N -1.098 107.655 108.800 -0.078 0.000 2.175 26 G HA2 -0.193 3.769 3.960 0.002 0.000 0.244 26 G HA3 -0.193 3.769 3.960 0.002 0.000 0.244 26 G C 0.073 174.899 174.900 -0.123 0.000 0.982 26 G CA 0.161 45.202 45.100 -0.098 0.000 0.641 26 G HN 0.658 nan 8.290 nan 0.000 0.527 27 H N 0.966 120.104 119.070 0.114 0.000 2.505 27 H HA 0.370 4.927 4.556 0.002 0.000 0.351 27 H C -0.244 175.121 175.328 0.061 0.000 1.151 27 H CA -0.273 55.749 56.048 -0.045 0.000 1.339 27 H CB 0.818 30.623 29.762 0.072 0.000 1.483 27 H HN 0.177 nan 8.280 nan 0.000 0.558 28 D N 1.467 121.939 120.400 0.120 0.000 2.350 28 D HA 0.184 4.825 4.640 0.002 0.000 0.249 28 D C -0.222 176.230 176.300 0.254 0.000 1.119 28 D CA -0.020 54.119 54.000 0.232 0.000 0.886 28 D CB 1.462 42.432 40.800 0.285 0.000 1.195 28 D HN 0.087 nan 8.370 nan 0.000 0.437 29 V N 3.183 123.243 119.914 0.243 0.000 2.638 29 V HA 0.456 4.577 4.120 0.002 0.000 0.306 29 V C -0.584 175.581 176.094 0.117 0.000 1.052 29 V CA -0.828 61.603 62.300 0.219 0.000 0.885 29 V CB 2.176 34.105 31.823 0.176 0.000 0.999 29 V HN 0.314 nan 8.190 nan 0.000 0.424 30 L N 5.759 127.021 121.223 0.063 0.000 2.445 30 L HA 0.737 5.078 4.340 0.002 0.000 0.262 30 L C -1.445 175.406 176.870 -0.032 0.000 0.974 30 L CA -0.245 54.516 54.840 -0.133 0.000 0.822 30 L CB 2.100 43.802 42.059 -0.595 0.000 1.339 30 L HN 0.463 nan 8.230 nan 0.000 0.409 31 I N 3.783 124.325 120.570 -0.047 0.000 2.406 31 I HA 0.642 4.814 4.170 0.002 0.000 0.290 31 I C 0.080 176.185 176.117 -0.020 0.000 0.999 31 I CA -0.776 60.533 61.300 0.014 0.000 1.124 31 I CB 1.237 39.231 38.000 -0.009 0.000 1.289 31 I HN 0.772 nan 8.210 nan 0.000 0.441 32 A N 7.032 129.852 122.820 0.000 0.000 2.260 32 A HA 0.792 5.114 4.320 0.002 0.000 0.308 32 A C -0.128 177.449 177.584 -0.012 0.000 1.254 32 A CA -0.363 51.660 52.037 -0.023 0.000 0.874 32 A CB 0.949 19.928 19.000 -0.034 0.000 1.153 32 A HN 0.760 nan 8.150 nan 0.000 0.527 33 V N -1.349 118.547 119.914 -0.030 0.000 3.202 33 V HA 1.014 5.136 4.120 0.002 0.000 0.306 33 V C -0.305 175.739 176.094 -0.084 0.000 1.283 33 V CA -0.363 61.908 62.300 -0.048 0.000 1.065 33 V CB 1.218 33.026 31.823 -0.025 0.000 1.079 33 V HN 1.992 nan 8.190 nan 0.000 0.448 34 A N 0.079 122.807 122.820 -0.153 0.000 2.515 34 A HA 0.877 5.198 4.320 0.002 0.000 0.296 34 A C -0.337 177.086 177.584 -0.268 0.000 1.094 34 A CA -0.124 51.797 52.037 -0.194 0.000 0.718 34 A CB 1.472 20.308 19.000 -0.273 0.000 1.307 34 A HN 1.778 nan 8.150 nan 0.000 0.408 35 E N 1.031 121.094 120.200 -0.229 0.000 7.516 35 E HA -0.160 4.192 4.350 0.002 0.000 0.417 35 E C -0.765 175.576 176.600 -0.432 0.000 0.487 35 E CA 0.767 56.923 56.400 -0.406 0.000 0.890 35 E CB -0.476 28.922 29.700 -0.504 0.000 0.951 35 E HN 1.206 nan 8.360 nan 0.000 0.265 36 H N -0.525 118.536 119.070 -0.014 0.000 2.557 36 H HA -0.263 4.295 4.556 0.003 0.000 0.319 36 H C 1.007 176.332 175.328 -0.005 0.000 1.102 36 H CA 0.995 57.034 56.048 -0.016 0.000 1.126 36 H CB -2.027 27.712 29.762 -0.040 0.000 1.498 36 H HN 0.587 nan 8.280 nan 0.000 0.411 37 A N 0.931 123.780 122.820 0.048 0.000 2.032 37 A HA -0.248 4.073 4.320 0.002 0.000 0.221 37 A C 2.292 179.919 177.584 0.070 0.000 1.165 37 A CA 1.721 53.782 52.037 0.041 0.000 0.645 37 A CB -0.140 18.868 19.000 0.014 0.000 0.807 37 A HN 0.703 nan 8.150 nan 0.000 0.453 38 D N 0.015 120.466 120.400 0.085 0.000 2.149 38 D HA -0.241 4.400 4.640 0.002 0.000 0.198 38 D C 1.861 178.226 176.300 0.108 0.000 0.990 38 D CA 1.462 55.512 54.000 0.083 0.000 0.839 38 D CB -0.599 40.245 40.800 0.075 0.000 0.948 38 D HN 0.541 nan 8.370 nan 0.000 0.460 39 R N 0.737 121.321 120.500 0.140 0.000 2.081 39 R HA -0.003 4.338 4.340 0.002 0.000 0.235 39 R C 2.651 179.095 176.300 0.239 0.000 1.131 39 R CA 1.506 57.730 56.100 0.207 0.000 0.960 39 R CB -0.413 30.020 30.300 0.222 0.000 0.856 39 R HN 0.282 nan 8.270 nan 0.000 0.436 40 A N 1.183 124.104 122.820 0.169 0.000 1.902 40 A HA -0.090 4.231 4.320 0.002 0.000 0.217 40 A C 2.350 179.985 177.584 0.085 0.000 1.181 40 A CA 1.633 53.736 52.037 0.111 0.000 0.623 40 A CB -0.606 18.429 19.000 0.057 0.000 0.818 40 A HN 0.394 nan 8.150 nan 0.000 0.443 41 A N -0.329 122.542 122.820 0.085 0.000 1.969 41 A HA 0.262 4.583 4.320 0.002 0.000 0.218 41 A C 2.282 179.926 177.584 0.099 0.000 1.169 41 A CA 1.624 53.706 52.037 0.074 0.000 0.635 41 A CB -0.744 18.291 19.000 0.059 0.000 0.810 41 A HN 1.064 nan 8.150 nan 0.000 0.445 42 A N -0.777 122.118 122.820 0.125 0.000 2.239 42 A HA 0.428 4.750 4.320 0.002 0.000 0.209 42 A C 1.807 179.514 177.584 0.206 0.000 1.171 42 A CA 1.111 53.236 52.037 0.147 0.000 0.768 42 A CB -0.518 18.569 19.000 0.145 0.000 0.790 42 A HN 0.949 nan 8.150 nan 0.000 0.478 43 A N -1.536 121.406 122.820 0.203 0.000 2.379 43 A HA 0.460 4.782 4.320 0.002 0.000 0.236 43 A C 1.554 179.332 177.584 0.324 0.000 1.272 43 A CA 0.812 53.007 52.037 0.263 0.000 0.886 43 A CB -0.853 18.140 19.000 -0.013 0.000 0.962 43 A HN 1.704 nan 8.150 nan 0.000 0.504 44 G N -0.762 108.155 108.800 0.195 0.000 2.153 44 G HA2 -0.219 3.742 3.960 0.002 0.000 0.252 44 G HA3 -0.219 3.742 3.960 0.002 0.000 0.252 44 G C 0.017 174.988 174.900 0.118 0.000 0.994 44 G CA 0.537 45.719 45.100 0.136 0.000 0.698 44 G HN 0.473 nan 8.290 nan 0.000 0.521 45 L N -0.330 120.952 121.223 0.099 0.000 2.352 45 L HA 0.584 4.925 4.340 0.002 0.000 0.269 45 L C 0.613 177.499 176.870 0.027 0.000 1.034 45 L CA -0.998 53.872 54.840 0.050 0.000 0.806 45 L CB 1.166 43.219 42.059 -0.010 0.000 1.244 45 L HN 0.134 nan 8.230 nan 0.000 0.447 46 E N 0.967 121.173 120.200 0.010 0.000 2.259 46 E HA 0.434 4.786 4.350 0.002 0.000 0.281 46 E C -1.206 175.374 176.600 -0.033 0.000 1.027 46 E CA -0.378 56.017 56.400 -0.008 0.000 0.838 46 E CB 1.834 31.527 29.700 -0.012 0.000 1.066 46 E HN 0.183 nan 8.360 nan 0.000 0.401 47 V N 3.229 123.126 119.914 -0.029 0.000 2.709 47 V HA 0.327 4.449 4.120 0.002 0.000 0.308 47 V C -0.534 175.535 176.094 -0.041 0.000 1.062 47 V CA -0.935 61.346 62.300 -0.032 0.000 0.901 47 V CB 2.089 33.909 31.823 -0.005 0.000 1.003 47 V HN 0.379 nan 8.190 nan 0.000 0.425 48 V N 2.581 122.463 119.914 -0.054 0.000 2.448 48 V HA 0.385 4.506 4.120 0.002 0.000 0.295 48 V C -0.403 175.669 176.094 -0.035 0.000 1.025 48 V CA -0.474 61.797 62.300 -0.048 0.000 0.859 48 V CB 1.856 33.638 31.823 -0.069 0.000 0.988 48 V HN 0.925 nan 8.190 nan 0.000 0.431 49 D N 3.916 124.302 120.400 -0.023 0.000 2.374 49 D HA 0.107 4.749 4.640 0.002 0.000 0.240 49 D C 0.949 177.238 176.300 -0.019 0.000 1.229 49 D CA -0.151 53.836 54.000 -0.021 0.000 0.895 49 D CB 1.734 42.527 40.800 -0.010 0.000 1.046 49 D HN 0.440 nan 8.370 nan 0.000 0.498 50 V N 1.967 121.864 119.914 -0.029 0.000 3.573 50 V HA 0.400 4.522 4.120 0.002 0.000 0.270 50 V C 0.743 176.835 176.094 -0.003 0.000 1.221 50 V CA 0.532 62.819 62.300 -0.022 0.000 1.163 50 V CB -0.553 31.249 31.823 -0.035 0.000 0.847 50 V HN 0.543 nan 8.190 nan 0.000 0.468 51 A N 0.882 123.706 122.820 0.008 0.000 3.158 51 A HA 0.685 5.007 4.320 0.002 0.000 0.302 51 A C -1.767 175.859 177.584 0.070 0.000 1.162 51 A CA -0.630 51.440 52.037 0.056 0.000 0.824 51 A CB 0.637 19.704 19.000 0.113 0.000 1.322 51 A HN 0.256 nan 8.150 nan 0.000 0.510 52 P HA -0.049 nan 4.420 nan 0.000 0.226 52 P C 0.213 177.540 177.300 0.045 0.000 1.153 52 P CA 1.125 64.246 63.100 0.035 0.000 0.777 52 P CB 0.317 32.030 31.700 0.020 0.000 0.794 53 D N -2.004 118.426 120.400 0.050 0.000 2.340 53 D HA -0.024 4.617 4.640 0.002 0.000 0.220 53 D C 0.399 176.717 176.300 0.030 0.000 1.039 53 D CA -0.211 53.807 54.000 0.029 0.000 0.866 53 D CB -0.873 39.934 40.800 0.012 0.000 0.913 53 D HN 0.189 nan 8.370 nan 0.000 0.523 54 Y N 1.819 122.098 120.300 -0.035 0.000 2.805 54 Y HA -0.008 4.543 4.550 0.002 0.000 0.331 54 Y C 0.256 176.129 175.900 -0.045 0.000 1.241 54 Y CA 0.184 58.260 58.100 -0.041 0.000 1.546 54 Y CB 0.427 38.852 38.460 -0.058 0.000 1.248 54 Y HN -0.258 nan 8.280 nan 0.000 0.559 55 S N 5.600 120.879 115.700 -0.702 0.000 2.707 55 S HA 0.595 5.067 4.470 0.002 0.000 0.312 55 S C 0.612 174.827 174.600 -0.642 0.000 1.116 55 S CA -0.288 57.625 58.200 -0.478 0.000 1.078 55 S CB 0.762 63.821 63.200 -0.236 0.000 0.997 55 S HN 1.019 nan 8.310 nan 0.000 0.477 56 A N 4.674 127.272 122.820 -0.369 0.000 1.917 56 A HA -0.085 4.236 4.320 0.002 0.000 0.219 56 A C 2.244 179.798 177.584 -0.049 0.000 1.182 56 A CA 2.367 54.337 52.037 -0.113 0.000 0.633 56 A CB -1.370 17.678 19.000 0.080 0.000 0.819 56 A HN 1.620 nan 8.150 nan 0.000 0.448 57 V N -2.237 117.650 119.914 -0.045 0.000 2.343 57 V HA -0.222 3.900 4.120 0.002 0.000 0.247 57 V C 2.063 178.168 176.094 0.018 0.000 1.051 57 V CA 2.277 64.590 62.300 0.021 0.000 1.036 57 V CB -0.824 31.004 31.823 0.008 0.000 0.654 57 V HN 0.369 nan 8.190 nan 0.000 0.451 58 K N 0.710 121.070 120.400 -0.067 0.000 2.097 58 K HA 0.024 4.346 4.320 0.002 0.000 0.206 58 K C 2.289 178.847 176.600 -0.071 0.000 1.049 58 K CA 1.508 57.751 56.287 -0.074 0.000 0.933 58 K CB -1.145 31.287 32.500 -0.114 0.000 0.717 58 K HN 0.529 nan 8.250 nan 0.000 0.442 59 V N 1.106 120.956 119.914 -0.107 0.000 2.255 59 V HA -0.236 3.886 4.120 0.002 0.000 0.247 59 V C 2.159 178.279 176.094 0.043 0.000 1.051 59 V CA 1.852 64.120 62.300 -0.052 0.000 1.018 59 V CB -0.512 31.271 31.823 -0.067 0.000 0.641 59 V HN 0.139 nan 8.190 nan 0.000 0.445 60 F N 0.801 120.741 119.950 -0.017 0.000 2.186 60 F HA -0.112 4.416 4.527 0.003 0.000 0.299 60 F C 2.362 178.175 175.800 0.022 0.000 1.090 60 F CA 1.794 59.815 58.000 0.036 0.000 1.307 60 F CB -0.223 38.823 39.000 0.077 0.000 1.019 60 F HN 0.207 nan 8.300 nan 0.000 0.489 61 E N -0.310 119.882 120.200 -0.013 0.000 2.058 61 E HA -0.328 4.023 4.350 0.002 0.000 0.194 61 E C 2.100 178.598 176.600 -0.170 0.000 0.997 61 E CA 1.582 57.922 56.400 -0.099 0.000 0.801 61 E CB -0.246 29.444 29.700 -0.016 0.000 0.746 61 E HN 0.381 nan 8.360 nan 0.000 0.450 62 Q N 0.535 120.256 119.800 -0.131 0.000 2.046 62 Q HA -0.123 4.219 4.340 0.002 0.000 0.200 62 Q C 2.116 178.013 176.000 -0.171 0.000 0.975 62 Q CA 1.197 56.926 55.803 -0.123 0.000 0.836 62 Q CB -0.211 28.475 28.738 -0.087 0.000 0.896 62 Q HN 0.100 nan 8.270 nan 0.000 0.428 63 V N 0.818 120.598 119.914 -0.222 0.000 2.282 63 V HA -0.354 3.768 4.120 0.002 0.000 0.249 63 V C 2.275 178.196 176.094 -0.288 0.000 1.057 63 V CA 2.084 64.218 62.300 -0.277 0.000 1.032 63 V CB -1.349 30.300 31.823 -0.290 0.000 0.645 63 V HN 0.540 nan 8.190 nan 0.000 0.447 64 A N -0.564 122.004 122.820 -0.420 0.000 1.933 64 A HA -0.257 4.065 4.320 0.002 0.000 0.218 64 A C 2.360 179.840 177.584 -0.174 0.000 1.175 64 A CA 2.101 53.945 52.037 -0.322 0.000 0.628 64 A CB -0.491 18.241 19.000 -0.447 0.000 0.814 64 A HN 0.560 nan 8.150 nan 0.000 0.444 65 K N -0.614 119.690 120.400 -0.159 0.000 2.026 65 K HA -0.190 4.131 4.320 0.002 0.000 0.208 65 K C 0.779 177.331 176.600 -0.080 0.000 1.048 65 K CA 1.782 58.010 56.287 -0.099 0.000 0.929 65 K CB -0.175 32.274 32.500 -0.086 0.000 0.713 65 K HN 0.327 nan 8.250 nan 0.000 0.439 66 D N 0.216 120.560 120.400 -0.093 0.000 2.348 66 D HA 0.017 4.658 4.640 0.002 0.000 0.211 66 D C -0.153 176.106 176.300 -0.068 0.000 0.998 66 D CA 0.496 54.453 54.000 -0.073 0.000 0.873 66 D CB 0.225 40.978 40.800 -0.079 0.000 0.925 66 D HN 0.218 nan 8.370 nan 0.000 0.524 67 N N 1.323 119.973 118.700 -0.083 0.000 2.790 67 N HA 0.116 4.857 4.740 0.002 0.000 0.256 67 N C -2.090 173.424 175.510 0.008 0.000 1.409 67 N CA -0.972 52.050 53.050 -0.046 0.000 0.799 67 N CB 2.438 40.849 38.487 -0.126 0.000 1.170 67 N HN -0.012 nan 8.380 nan 0.000 0.507 68 P HA -0.157 nan 4.420 nan 0.000 0.216 68 P C 1.486 178.785 177.300 -0.002 0.000 1.153 68 P CA 1.111 64.205 63.100 -0.011 0.000 0.848 68 P CB 0.601 32.293 31.700 -0.014 0.000 0.787 69 R N -0.284 120.225 120.500 0.016 0.000 2.066 69 R HA -0.121 4.220 4.340 0.002 0.000 0.232 69 R C 2.277 178.577 176.300 0.000 0.000 1.131 69 R CA 1.303 57.408 56.100 0.008 0.000 0.955 69 R CB -1.863 28.449 30.300 0.020 0.000 0.851 69 R HN 0.059 nan 8.270 nan 0.000 0.432 70 F N 0.719 120.596 119.950 -0.121 0.000 2.095 70 F HA -0.135 4.394 4.527 0.003 0.000 0.298 70 F C 1.969 177.654 175.800 -0.192 0.000 1.104 70 F CA 1.999 59.887 58.000 -0.186 0.000 1.232 70 F CB -0.705 38.158 39.000 -0.229 0.000 0.987 70 F HN 0.143 nan 8.300 nan 0.000 0.475 71 A N 0.216 122.968 122.820 -0.114 0.000 2.067 71 A HA -0.169 4.152 4.320 0.002 0.000 0.219 71 A C 1.903 179.381 177.584 -0.176 0.000 1.158 71 A CA 1.529 53.459 52.037 -0.178 0.000 0.661 71 A CB -0.950 18.012 19.000 -0.063 0.000 0.801 71 A HN 0.722 nan 8.150 nan 0.000 0.452 72 E N -0.840 119.273 120.200 -0.144 0.000 2.481 72 E HA 0.051 4.402 4.350 0.002 0.000 0.198 72 E C 1.096 177.619 176.600 -0.128 0.000 1.027 72 E CA 0.857 57.194 56.400 -0.105 0.000 0.900 72 E CB -0.022 29.642 29.700 -0.060 0.000 0.993 72 E HN 0.585 nan 8.360 nan 0.000 0.482 73 T N -2.489 111.941 114.554 -0.205 0.000 3.413 73 T HA 0.090 4.442 4.350 0.002 0.000 0.187 73 T C 1.843 176.369 174.700 -0.290 0.000 0.961 73 T CA 0.372 62.361 62.100 -0.185 0.000 1.085 73 T CB -0.659 68.130 68.868 -0.132 0.000 1.345 73 T HN -0.049 nan 8.240 nan 0.000 0.326 74 V N 2.987 122.634 119.914 -0.444 0.000 2.324 74 V HA -0.075 4.047 4.120 0.002 0.000 0.250 74 V C 3.243 178.841 176.094 -0.826 0.000 1.060 74 V CA 2.246 64.182 62.300 -0.607 0.000 1.042 74 V CB -1.485 29.915 31.823 -0.705 0.000 0.650 74 V HN 0.782 nan 8.190 nan 0.000 0.450 75 A N 0.305 122.434 122.820 -1.151 0.000 2.121 75 A HA -0.143 4.178 4.320 0.002 0.000 0.218 75 A C 2.190 179.693 177.584 -0.136 0.000 1.154 75 A CA 1.960 53.494 52.037 -0.839 0.000 0.679 75 A CB -0.604 18.026 19.000 -0.617 0.000 0.795 75 A HN 0.666 nan 8.150 nan 0.000 0.458 76 T N -2.441 112.031 114.554 -0.138 0.000 3.134 76 T HA 0.348 4.699 4.350 0.002 0.000 0.260 76 T C 0.421 175.121 174.700 0.001 0.000 1.027 76 T CA -0.235 61.853 62.100 -0.020 0.000 0.913 76 T CB -0.256 68.592 68.868 -0.033 0.000 1.046 76 T HN 0.688 nan 8.240 nan 0.000 0.553 77 R N -0.363 120.141 120.500 0.006 0.000 2.836 77 R HA 0.702 5.043 4.340 0.002 0.000 0.269 77 R C -3.437 172.874 176.300 0.019 0.000 1.010 77 R CA -2.345 53.758 56.100 0.005 0.000 0.930 77 R CB 0.022 30.309 30.300 -0.021 0.000 1.218 77 R HN -0.140 nan 8.270 nan 0.000 0.473 78 P HA 0.039 nan 4.420 nan 0.000 0.265 78 P C -0.621 176.671 177.300 -0.015 0.000 1.193 78 P CA 0.073 63.146 63.100 -0.046 0.000 0.765 78 P CB 0.691 32.391 31.700 0.001 0.000 0.823 79 A N 3.684 126.455 122.820 -0.081 0.000 2.462 79 A HA 0.175 4.497 4.320 0.002 0.000 0.243 79 A C 1.115 178.813 177.584 0.189 0.000 1.076 79 A CA 0.041 52.153 52.037 0.125 0.000 0.773 79 A CB -0.374 18.542 19.000 -0.140 0.000 1.010 79 A HN 0.471 nan 8.150 nan 0.000 0.493 80 I N 0.237 120.910 120.570 0.170 0.000 3.526 80 I HA 0.177 4.349 4.170 0.002 0.000 0.294 80 I C 0.199 176.527 176.117 0.352 0.000 1.229 80 I CA 0.931 62.287 61.300 0.093 0.000 1.408 80 I CB -0.934 37.044 38.000 -0.036 0.000 1.127 80 I HN 0.594 nan 8.210 nan 0.000 0.439 81 D N -0.899 119.718 120.400 0.361 0.000 2.736 81 D HA 0.391 5.033 4.640 0.002 0.000 0.223 81 D C 0.749 177.166 176.300 0.195 0.000 1.231 81 D CA -0.429 53.766 54.000 0.326 0.000 0.818 81 D CB 2.109 43.043 40.800 0.223 0.000 1.587 81 D HN -0.218 nan 8.370 nan 0.000 0.463 82 L N 1.494 122.745 121.223 0.047 0.000 2.156 82 L HA -0.046 4.296 4.340 0.002 0.000 0.208 82 L C 2.141 179.071 176.870 0.100 0.000 1.095 82 L CA 0.898 55.686 54.840 -0.085 0.000 0.770 82 L CB -0.353 41.563 42.059 -0.238 0.000 0.914 82 L HN 0.599 nan 8.230 nan 0.000 0.439 83 E N 0.634 120.894 120.200 0.100 0.000 2.160 83 E HA -0.275 4.076 4.350 0.002 0.000 0.195 83 E C 1.581 178.286 176.600 0.175 0.000 0.991 83 E CA 1.350 57.816 56.400 0.109 0.000 0.810 83 E CB -0.355 29.394 29.700 0.081 0.000 0.742 83 E HN 0.564 nan 8.360 nan 0.000 0.466 84 E N -0.006 120.334 120.200 0.232 0.000 2.265 84 E HA -0.136 4.215 4.350 0.002 0.000 0.196 84 E C 0.673 177.422 176.600 0.248 0.000 0.996 84 E CA 0.877 57.416 56.400 0.231 0.000 0.832 84 E CB -0.114 29.725 29.700 0.231 0.000 0.756 84 E HN 0.449 nan 8.360 nan 0.000 0.491 85 W N 0.343 121.751 121.300 0.179 0.000 3.388 85 W HA 0.258 4.919 4.660 0.002 0.000 0.324 85 W C 1.870 178.380 176.519 -0.015 0.000 1.250 85 W CA -0.009 57.466 57.345 0.217 0.000 1.809 85 W CB -0.100 29.498 29.460 0.231 0.000 1.083 85 W HN 0.049 nan 8.180 nan 0.000 0.685 86 G N 0.267 109.143 108.800 0.127 0.000 2.505 86 G HA2 -0.334 3.628 3.960 0.002 0.000 0.220 86 G HA3 -0.334 3.628 3.960 0.002 0.000 0.220 86 G C 1.605 176.386 174.900 -0.199 0.000 1.145 86 G CA 1.533 46.672 45.100 0.065 0.000 0.761 86 G HN 0.219 nan 8.290 nan 0.000 0.571 87 V N 0.279 119.793 119.914 -0.666 0.000 2.407 87 V HA -0.184 3.938 4.120 0.002 0.000 0.248 87 V C 2.795 178.452 176.094 -0.729 0.000 1.055 87 V CA 2.896 64.420 62.300 -1.294 0.000 1.049 87 V CB 0.002 30.879 31.823 -1.577 0.000 0.662 87 V HN 0.532 nan 8.190 nan 0.000 0.455 88 Q N -0.015 119.460 119.800 -0.543 0.000 2.083 88 Q HA -0.108 4.233 4.340 0.002 0.000 0.198 88 Q C 1.897 177.914 176.000 0.027 0.000 0.969 88 Q CA 2.366 58.093 55.803 -0.127 0.000 0.838 88 Q CB -0.413 28.498 28.738 0.288 0.000 0.900 88 Q HN 0.705 nan 8.270 nan 0.000 0.436 89 I N 0.416 121.018 120.570 0.053 0.000 2.286 89 I HA -0.242 3.930 4.170 0.002 0.000 0.248 89 I C 2.239 178.384 176.117 0.046 0.000 1.115 89 I CA 0.956 62.298 61.300 0.071 0.000 1.392 89 I CB -0.459 37.582 38.000 0.068 0.000 1.065 89 I HN 0.314 nan 8.210 nan 0.000 0.418 90 A N 0.708 123.529 122.820 0.002 0.000 1.933 90 A HA -0.118 4.204 4.320 0.002 0.000 0.218 90 A C 2.529 180.125 177.584 0.020 0.000 1.175 90 A CA 1.730 53.788 52.037 0.035 0.000 0.628 90 A CB -0.734 18.311 19.000 0.075 0.000 0.814 90 A HN 0.419 nan 8.150 nan 0.000 0.444 91 A N -0.690 122.112 122.820 -0.029 0.000 1.969 91 A HA 0.079 4.400 4.320 0.002 0.000 0.218 91 A C 2.176 179.814 177.584 0.089 0.000 1.169 91 A CA 1.567 53.604 52.037 0.000 0.000 0.635 91 A CB -0.691 18.279 19.000 -0.050 0.000 0.810 91 A HN 0.338 nan 8.150 nan 0.000 0.445 92 V N 0.947 120.935 119.914 0.124 0.000 2.358 92 V HA -0.239 3.882 4.120 0.002 0.000 0.246 92 V C 2.228 178.407 176.094 0.142 0.000 1.047 92 V CA 2.017 64.441 62.300 0.206 0.000 1.035 92 V CB -0.817 31.102 31.823 0.159 0.000 0.658 92 V HN 0.596 nan 8.190 nan 0.000 0.452 93 N N 0.049 118.798 118.700 0.083 0.000 2.188 93 N HA -0.181 4.561 4.740 0.002 0.000 0.184 93 N C 2.030 177.573 175.510 0.057 0.000 1.018 93 N CA 1.264 54.344 53.050 0.050 0.000 0.858 93 N CB -0.201 38.311 38.487 0.041 0.000 0.989 93 N HN 0.453 nan 8.380 nan 0.000 0.426 94 R N 1.686 122.229 120.500 0.072 0.000 2.112 94 R HA -0.125 4.217 4.340 0.002 0.000 0.242 94 R C -0.881 175.464 176.300 0.074 0.000 1.137 94 R CA 1.859 58.000 56.100 0.067 0.000 0.944 94 R CB -1.022 29.313 30.300 0.059 0.000 0.857 94 R HN 0.195 nan 8.270 nan 0.000 0.435 95 P HA -0.057 nan 4.420 nan 0.000 0.237 95 P C 0.751 178.102 177.300 0.085 0.000 1.178 95 P CA 0.797 63.962 63.100 0.108 0.000 0.766 95 P CB 0.094 31.894 31.700 0.166 0.000 0.876 96 L N -1.117 120.139 121.223 0.054 0.000 2.418 96 L HA -0.018 4.323 4.340 0.002 0.000 0.218 96 L C 2.571 179.428 176.870 -0.021 0.000 1.125 96 L CA 0.892 55.733 54.840 0.002 0.000 0.835 96 L CB -1.173 40.866 42.059 -0.034 0.000 0.953 96 L HN -0.198 nan 8.230 nan 0.000 0.454 97 V N -0.544 119.364 119.914 -0.010 0.000 2.307 97 V HA -0.256 3.865 4.120 0.002 0.000 0.245 97 V C 2.108 178.130 176.094 -0.120 0.000 1.045 97 V CA 1.760 64.024 62.300 -0.060 0.000 1.024 97 V CB -0.426 31.394 31.823 -0.005 0.000 0.651 97 V HN 0.377 nan 8.190 nan 0.000 0.449 98 D N 0.666 121.065 120.400 -0.002 0.000 2.117 98 D HA -0.101 4.540 4.640 0.002 0.000 0.197 98 D C 2.198 178.481 176.300 -0.027 0.000 0.987 98 D CA 1.692 55.718 54.000 0.044 0.000 0.829 98 D CB -0.578 40.302 40.800 0.132 0.000 0.961 98 D HN 0.465 nan 8.370 nan 0.000 0.460 99 G N -0.225 108.564 108.800 -0.018 0.000 2.422 99 G HA2 -0.190 3.771 3.960 0.002 0.000 0.218 99 G HA3 -0.190 3.771 3.960 0.002 0.000 0.218 99 G C 1.677 176.547 174.900 -0.049 0.000 1.140 99 G CA 1.199 46.286 45.100 -0.021 0.000 0.775 99 G HN 0.228 nan 8.290 nan 0.000 0.545 100 T N 1.463 115.971 114.554 -0.077 0.000 2.857 100 T HA -0.025 4.326 4.350 0.002 0.000 0.266 100 T C 2.539 177.171 174.700 -0.113 0.000 1.048 100 T CA 0.851 62.898 62.100 -0.087 0.000 1.139 100 T CB -0.119 68.693 68.868 -0.094 0.000 0.874 100 T HN 0.033 nan 8.240 nan 0.000 0.455 101 M N 1.324 120.807 119.600 -0.195 0.000 2.132 101 M HA 0.078 4.559 4.480 0.002 0.000 0.263 101 M C 2.823 179.064 176.300 -0.100 0.000 1.065 101 M CA 1.250 56.411 55.300 -0.232 0.000 1.122 101 M CB -1.487 30.767 32.600 -0.576 0.000 1.365 101 M HN 0.305 nan 8.290 nan 0.000 0.411 102 A N 0.194 122.977 122.820 -0.062 0.000 1.902 102 A HA -0.161 4.161 4.320 0.002 0.000 0.217 102 A C 2.233 179.818 177.584 0.001 0.000 1.181 102 A CA 1.409 53.441 52.037 -0.008 0.000 0.623 102 A CB -0.935 18.070 19.000 0.008 0.000 0.818 102 A HN 0.413 nan 8.150 nan 0.000 0.443 103 L N -0.149 121.069 121.223 -0.009 0.000 2.083 103 L HA -0.087 4.255 4.340 0.002 0.000 0.209 103 L C 2.357 179.261 176.870 0.057 0.000 1.083 103 L CA 1.694 56.541 54.840 0.011 0.000 0.752 103 L CB -0.435 41.610 42.059 -0.022 0.000 0.899 103 L HN 0.148 nan 8.230 nan 0.000 0.433 104 V N -0.301 119.628 119.914 0.026 0.000 2.407 104 V HA -0.260 3.861 4.120 0.002 0.000 0.248 104 V C 2.155 178.270 176.094 0.036 0.000 1.055 104 V CA 1.866 64.190 62.300 0.039 0.000 1.049 104 V CB -0.715 31.096 31.823 -0.019 0.000 0.662 104 V HN 0.439 nan 8.190 nan 0.000 0.455 105 D N -0.139 120.273 120.400 0.021 0.000 2.178 105 D HA -0.118 4.524 4.640 0.002 0.000 0.202 105 D C 1.855 178.177 176.300 0.037 0.000 0.974 105 D CA 1.108 55.121 54.000 0.021 0.000 0.841 105 D CB -0.193 40.618 40.800 0.019 0.000 0.953 105 D HN 0.431 nan 8.370 nan 0.000 0.478 106 D N -0.981 119.454 120.400 0.059 0.000 2.183 106 D HA -0.109 4.533 4.640 0.002 0.000 0.205 106 D C 1.685 178.065 176.300 0.133 0.000 0.962 106 D CA 0.587 54.634 54.000 0.078 0.000 0.849 106 D CB -0.127 40.715 40.800 0.071 0.000 0.978 106 D HN 0.255 nan 8.370 nan 0.000 0.488 107 Y N 0.997 121.293 120.300 -0.006 0.000 2.479 107 Y HA 0.193 4.744 4.550 0.003 0.000 0.283 107 Y C -0.023 175.874 175.900 -0.005 0.000 1.109 107 Y CA 0.274 58.373 58.100 -0.002 0.000 1.239 107 Y CB 0.350 38.806 38.460 -0.006 0.000 1.108 107 Y HN -0.282 nan 8.280 nan 0.000 0.548 108 R N 0.815 121.292 120.500 -0.037 0.000 3.059 108 R HA -0.154 4.187 4.340 0.002 0.000 0.251 108 R C -2.714 173.425 176.300 -0.267 0.000 0.886 108 R CA 0.295 56.322 56.100 -0.122 0.000 0.634 108 R CB -1.731 28.514 30.300 -0.092 0.000 1.282 108 R HN 0.300 nan 8.270 nan 0.000 0.487 109 P HA 0.006 nan 4.420 nan 0.000 0.272 109 P C -0.186 176.996 177.300 -0.198 0.000 1.230 109 P CA -0.084 62.843 63.100 -0.288 0.000 0.788 109 P CB 0.630 32.284 31.700 -0.076 0.000 0.949 110 D N -0.191 120.089 120.400 -0.201 0.000 2.360 110 D HA 0.160 4.801 4.640 0.002 0.000 0.210 110 D C 0.197 176.404 176.300 -0.156 0.000 1.047 110 D CA 0.732 54.641 54.000 -0.152 0.000 0.854 110 D CB 0.384 41.102 40.800 -0.136 0.000 0.936 110 D HN 0.129 nan 8.370 nan 0.000 0.514 111 L N 0.399 121.507 121.223 -0.192 0.000 2.592 111 L HA 0.266 4.607 4.340 0.002 0.000 0.258 111 L C -1.817 174.902 176.870 -0.252 0.000 0.926 111 L CA -0.669 54.033 54.840 -0.230 0.000 0.885 111 L CB 2.193 44.064 42.059 -0.313 0.000 1.380 111 L HN -0.358 nan 8.230 nan 0.000 0.415 112 V N 4.729 124.506 119.914 -0.229 0.000 2.459 112 V HA 0.682 4.804 4.120 0.002 0.000 0.295 112 V C -0.599 175.322 176.094 -0.288 0.000 1.029 112 V CA -0.696 61.467 62.300 -0.228 0.000 0.874 112 V CB 1.911 33.649 31.823 -0.142 0.000 0.985 112 V HN 0.514 nan 8.190 nan 0.000 0.438 113 V N 6.084 125.702 119.914 -0.494 0.000 2.384 113 V HA 0.550 4.672 4.120 0.002 0.000 0.287 113 V C -0.786 175.140 176.094 -0.280 0.000 1.020 113 V CA -0.673 61.303 62.300 -0.540 0.000 0.850 113 V CB 1.136 32.285 31.823 -1.123 0.000 0.987 113 V HN 0.878 nan 8.190 nan 0.000 0.436 114 Y N 1.992 122.146 120.300 -0.243 0.000 2.512 114 Y HA 0.847 5.399 4.550 0.002 0.000 0.348 114 Y C -0.102 175.746 175.900 -0.088 0.000 0.990 114 Y CA -1.528 56.488 58.100 -0.141 0.000 1.033 114 Y CB 1.227 39.596 38.460 -0.151 0.000 1.259 114 Y HN 0.736 nan 8.280 nan 0.000 0.461 115 E N 1.175 121.315 120.200 -0.099 0.000 2.392 115 E HA 0.083 4.435 4.350 0.002 0.000 0.259 115 E C 0.839 177.350 176.600 -0.148 0.000 1.108 115 E CA -0.373 55.927 56.400 -0.166 0.000 0.916 115 E CB 1.066 30.711 29.700 -0.093 0.000 0.989 115 E HN 0.869 nan 8.360 nan 0.000 0.432 116 Q N 1.792 121.489 119.800 -0.172 0.000 2.173 116 Q HA -0.185 4.156 4.340 0.002 0.000 0.208 116 Q C 1.616 177.659 176.000 0.072 0.000 0.989 116 Q CA 2.071 57.852 55.803 -0.037 0.000 0.872 116 Q CB -0.574 28.122 28.738 -0.071 0.000 0.909 116 Q HN 0.856 nan 8.270 nan 0.000 0.420 117 G N -0.690 108.020 108.800 -0.150 0.000 2.848 117 G HA2 0.152 4.113 3.960 0.002 0.000 0.208 117 G HA3 0.152 4.113 3.960 0.002 0.000 0.208 117 G C 0.346 175.271 174.900 0.041 0.000 1.152 117 G CA 0.321 45.351 45.100 -0.117 0.000 0.789 117 G HN 0.382 nan 8.290 nan 0.000 0.531 118 A N 0.629 123.522 122.820 0.122 0.000 3.094 118 A HA 0.513 4.834 4.320 0.002 0.000 0.288 118 A C 1.572 179.176 177.584 0.033 0.000 1.519 118 A CA -0.002 52.096 52.037 0.102 0.000 1.227 118 A CB -0.269 18.795 19.000 0.107 0.000 1.175 118 A HN 0.077 nan 8.150 nan 0.000 0.568 119 T N 0.096 114.677 114.554 0.046 0.000 2.803 119 T HA -0.171 4.181 4.350 0.002 0.000 0.269 119 T C 1.913 176.478 174.700 -0.224 0.000 1.052 119 T CA 1.731 63.768 62.100 -0.105 0.000 1.136 119 T CB -0.232 68.706 68.868 0.117 0.000 0.864 119 T HN 0.470 nan 8.240 nan 0.000 0.467 120 V N 1.636 121.472 119.914 -0.129 0.000 2.568 120 V HA -0.136 3.986 4.120 0.002 0.000 0.253 120 V C 2.488 178.453 176.094 -0.215 0.000 1.072 120 V CA 2.244 64.460 62.300 -0.139 0.000 1.084 120 V CB -1.110 30.663 31.823 -0.083 0.000 0.676 120 V HN 0.583 nan 8.190 nan 0.000 0.469 121 G N -0.313 108.317 108.800 -0.284 0.000 2.446 121 G HA2 -0.248 3.713 3.960 0.002 0.000 0.217 121 G HA3 -0.248 3.713 3.960 0.002 0.000 0.217 121 G C 1.518 176.080 174.900 -0.562 0.000 1.168 121 G CA 1.240 46.118 45.100 -0.371 0.000 0.771 121 G HN 0.537 nan 8.290 nan 0.000 0.551 122 L N -0.003 120.727 121.223 -0.821 0.000 2.046 122 L HA -0.017 4.324 4.340 0.002 0.000 0.208 122 L C 2.908 179.577 176.870 -0.334 0.000 1.077 122 L CA 0.616 55.084 54.840 -0.620 0.000 0.747 122 L CB -0.372 41.291 42.059 -0.659 0.000 0.896 122 L HN 0.189 nan 8.230 nan 0.000 0.432 123 L N -0.641 120.420 121.223 -0.269 0.000 2.083 123 L HA -0.180 4.161 4.340 0.002 0.000 0.209 123 L C 2.896 179.671 176.870 -0.159 0.000 1.083 123 L CA 1.072 55.809 54.840 -0.172 0.000 0.752 123 L CB -0.887 41.093 42.059 -0.131 0.000 0.899 123 L HN 0.243 nan 8.230 nan 0.000 0.433 124 A N 0.423 123.136 122.820 -0.178 0.000 1.877 124 A HA -0.185 4.136 4.320 0.002 0.000 0.216 124 A C 2.579 180.085 177.584 -0.131 0.000 1.186 124 A CA 1.809 53.759 52.037 -0.146 0.000 0.620 124 A CB -0.744 18.175 19.000 -0.136 0.000 0.822 124 A HN 0.393 nan 8.150 nan 0.000 0.443 125 A N -0.298 122.425 122.820 -0.163 0.000 1.940 125 A HA -0.232 4.090 4.320 0.002 0.000 0.219 125 A C 1.825 179.341 177.584 -0.114 0.000 1.176 125 A CA 2.285 54.237 52.037 -0.142 0.000 0.631 125 A CB -0.700 18.198 19.000 -0.171 0.000 0.814 125 A HN 0.586 nan 8.150 nan 0.000 0.446 126 D N -1.141 119.189 120.400 -0.117 0.000 2.123 126 D HA -0.147 4.494 4.640 0.002 0.000 0.200 126 D C 2.120 178.381 176.300 -0.066 0.000 0.976 126 D CA 1.237 55.185 54.000 -0.087 0.000 0.831 126 D CB -0.036 40.713 40.800 -0.084 0.000 0.974 126 D HN 0.279 nan 8.370 nan 0.000 0.469 127 R N 0.700 121.159 120.500 -0.068 0.000 2.096 127 R HA -0.037 4.305 4.340 0.002 0.000 0.240 127 R C 1.867 178.139 176.300 -0.046 0.000 1.139 127 R CA 2.046 58.116 56.100 -0.051 0.000 0.952 127 R CB -1.013 29.249 30.300 -0.064 0.000 0.854 127 R HN 0.156 nan 8.270 nan 0.000 0.436 128 A N -0.920 121.865 122.820 -0.058 0.000 2.119 128 A HA 0.221 4.543 4.320 0.002 0.000 0.217 128 A C 1.478 179.029 177.584 -0.055 0.000 1.153 128 A CA 0.920 52.923 52.037 -0.056 0.000 0.692 128 A CB -0.720 18.240 19.000 -0.066 0.000 0.799 128 A HN 0.692 nan 8.150 nan 0.000 0.458 129 G N -0.825 107.942 108.800 -0.056 0.000 2.246 129 G HA2 -0.033 3.928 3.960 0.002 0.000 0.273 129 G HA3 -0.033 3.928 3.960 0.002 0.000 0.273 129 G C 0.212 175.078 174.900 -0.056 0.000 1.055 129 G CA 0.842 45.912 45.100 -0.051 0.000 0.851 129 G HN 1.870 nan 8.290 nan 0.000 0.500 130 V N -3.903 115.968 119.914 -0.071 0.000 3.074 130 V HA 0.970 5.092 4.120 0.002 0.000 0.314 130 V C -2.314 173.729 176.094 -0.086 0.000 1.117 130 V CA -2.818 59.436 62.300 -0.077 0.000 1.014 130 V CB 2.067 33.835 31.823 -0.092 0.000 1.057 130 V HN 0.054 nan 8.190 nan 0.000 0.438 131 P HA 0.505 nan 4.420 nan 0.000 0.269 131 P C -0.736 176.500 177.300 -0.106 0.000 1.209 131 P CA 0.215 63.263 63.100 -0.087 0.000 0.776 131 P CB 0.705 32.357 31.700 -0.081 0.000 0.876 132 A N 2.356 125.123 122.820 -0.088 0.000 2.342 132 A HA 0.599 4.920 4.320 0.002 0.000 0.323 132 A C -0.885 176.683 177.584 -0.027 0.000 1.125 132 A CA -0.601 51.409 52.037 -0.046 0.000 0.785 132 A CB 0.967 19.939 19.000 -0.048 0.000 1.221 132 A HN 0.333 nan 8.150 nan 0.000 0.463 133 V N 2.799 122.665 119.914 -0.080 0.000 2.448 133 V HA 0.378 4.500 4.120 0.002 0.000 0.295 133 V C 0.134 176.003 176.094 -0.375 0.000 1.025 133 V CA -0.456 61.709 62.300 -0.225 0.000 0.859 133 V CB 1.382 33.019 31.823 -0.309 0.000 0.988 133 V HN 1.015 nan 8.190 nan 0.000 0.431 134 Q N 3.295 122.792 119.800 -0.504 0.000 2.230 134 Q HA 0.628 4.969 4.340 0.002 0.000 0.248 134 Q C -0.463 175.242 176.000 -0.492 0.000 0.915 134 Q CA -0.848 54.418 55.803 -0.895 0.000 0.900 134 Q CB 1.353 29.712 28.738 -0.632 0.000 1.229 134 Q HN 0.659 nan 8.270 nan 0.000 0.439 135 R N 2.775 123.013 120.500 -0.437 0.000 2.409 135 R HA 0.380 4.722 4.340 0.002 0.000 0.313 135 R C -1.666 174.563 176.300 -0.119 0.000 0.953 135 R CA -0.479 55.510 56.100 -0.186 0.000 0.849 135 R CB 0.684 30.930 30.300 -0.090 0.000 1.171 135 R HN 0.592 nan 8.270 nan 0.000 0.458 136 N N 2.585 121.254 118.700 -0.050 0.000 2.479 136 N HA 0.103 4.844 4.740 0.002 0.000 0.285 136 N C 0.231 175.772 175.510 0.053 0.000 1.075 136 N CA -0.324 52.717 53.050 -0.014 0.000 0.967 136 N CB 1.793 40.264 38.487 -0.026 0.000 1.137 136 N HN 0.767 nan 8.380 nan 0.000 0.472 137 Q N -0.250 119.585 119.800 0.058 0.000 2.402 137 Q HA 0.235 4.577 4.340 0.002 0.000 0.206 137 Q C 0.238 176.223 176.000 -0.024 0.000 0.919 137 Q CA 0.372 56.241 55.803 0.109 0.000 0.923 137 Q CB 0.535 29.370 28.738 0.162 0.000 1.048 137 Q HN 0.379 nan 8.270 nan 0.000 0.515 138 S N -1.535 114.044 115.700 -0.203 0.000 3.003 138 S HA 0.616 5.088 4.470 0.002 0.000 0.313 138 S C -0.438 173.518 174.600 -1.073 0.000 1.230 138 S CA 0.001 57.792 58.200 -0.681 0.000 0.977 138 S CB 0.599 63.639 63.200 -0.268 0.000 1.340 138 S HN 0.210 nan 8.310 nan 0.000 0.608 139 A N -0.280 121.810 122.820 -1.217 0.000 2.169 139 A HA 0.241 4.563 4.320 0.002 0.000 0.212 139 A C 0.069 177.421 177.584 -0.386 0.000 1.153 139 A CA -0.094 51.449 52.037 -0.825 0.000 0.756 139 A CB -0.672 17.984 19.000 -0.573 0.000 0.813 139 A HN 0.591 nan 8.150 nan 0.000 0.471 140 W N 1.693 122.878 121.300 -0.191 0.000 2.295 140 W HA 0.239 4.900 4.660 0.002 0.000 0.335 140 W C 0.469 176.950 176.519 -0.064 0.000 1.351 140 W CA -0.522 56.777 57.345 -0.077 0.000 1.273 140 W CB 0.473 29.900 29.460 -0.055 0.000 1.214 140 W HN 0.085 nan 8.180 nan 0.000 0.563 141 R N 2.185 122.823 120.500 0.231 0.000 2.404 141 R HA 0.196 4.538 4.340 0.002 0.000 0.291 141 R C 0.946 177.321 176.300 0.125 0.000 1.025 141 R CA -0.363 55.820 56.100 0.139 0.000 0.991 141 R CB 0.574 30.943 30.300 0.115 0.000 1.053 141 R HN 0.484 nan 8.270 nan 0.000 0.479 142 T N 2.496 117.094 114.554 0.074 0.000 2.701 142 T HA -0.072 4.279 4.350 0.002 0.000 0.263 142 T C 0.793 175.504 174.700 0.019 0.000 1.040 142 T CA 0.794 62.908 62.100 0.025 0.000 1.147 142 T CB 0.006 68.905 68.868 0.052 0.000 0.865 142 T HN 0.545 nan 8.240 nan 0.000 0.426 143 R N -0.463 120.068 120.500 0.052 0.000 3.853 143 R HA -0.206 4.135 4.340 0.002 0.000 0.440 143 R C 1.514 177.839 176.300 0.040 0.000 0.241 143 R CA 1.237 57.370 56.100 0.054 0.000 1.395 143 R CB -1.837 28.503 30.300 0.067 0.000 0.984 143 R HN 0.512 nan 8.270 nan 0.000 0.570 144 G N 0.941 109.762 108.800 0.036 0.000 3.448 144 G HA2 0.241 4.203 3.960 0.002 0.000 0.261 144 G HA3 0.241 4.203 3.960 0.002 0.000 0.261 144 G C 1.426 176.331 174.900 0.009 0.000 1.173 144 G CA 0.450 45.569 45.100 0.033 0.000 0.835 144 G HN 0.518 nan 8.290 nan 0.000 0.534 145 M N -1.380 118.183 119.600 -0.061 0.000 2.159 145 M HA -0.062 4.419 4.480 0.002 0.000 0.263 145 M C 2.027 178.262 176.300 -0.108 0.000 1.063 145 M CA 1.280 56.510 55.300 -0.117 0.000 1.110 145 M CB -0.714 31.745 32.600 -0.234 0.000 1.374 145 M HN 0.051 nan 8.290 nan 0.000 0.411 146 H N 0.674 119.773 119.070 0.049 0.000 2.395 146 H HA 0.017 4.574 4.556 0.002 0.000 0.299 146 H C 2.308 177.648 175.328 0.019 0.000 1.070 146 H CA 1.829 57.895 56.048 0.030 0.000 1.356 146 H CB -0.459 29.311 29.762 0.014 0.000 1.401 146 H HN 0.528 nan 8.280 nan 0.000 0.524 147 R N 0.703 121.273 120.500 0.117 0.000 2.081 147 R HA -0.096 4.246 4.340 0.002 0.000 0.235 147 R C 2.283 178.600 176.300 0.029 0.000 1.131 147 R CA 1.420 57.552 56.100 0.053 0.000 0.960 147 R CB 0.108 30.427 30.300 0.032 0.000 0.856 147 R HN 0.065 nan 8.270 nan 0.000 0.436 148 S N 0.776 116.504 115.700 0.048 0.000 2.356 148 S HA -0.122 4.350 4.470 0.002 0.000 0.223 148 S C 1.896 176.593 174.600 0.162 0.000 1.032 148 S CA 1.506 59.747 58.200 0.068 0.000 1.005 148 S CB -0.201 63.069 63.200 0.116 0.000 0.867 148 S HN 0.298 nan 8.310 nan 0.000 0.449 149 I N 1.706 122.389 120.570 0.188 0.000 2.179 149 I HA -0.215 3.957 4.170 0.002 0.000 0.242 149 I C 2.657 178.902 176.117 0.213 0.000 1.088 149 I CA 1.188 62.636 61.300 0.248 0.000 1.357 149 I CB -0.464 37.634 38.000 0.163 0.000 1.051 149 I HN 0.262 nan 8.210 nan 0.000 0.409 150 A N 0.562 123.450 122.820 0.112 0.000 2.019 150 A HA -0.207 4.115 4.320 0.002 0.000 0.219 150 A C 2.437 180.018 177.584 -0.006 0.000 1.164 150 A CA 1.919 53.988 52.037 0.053 0.000 0.644 150 A CB -0.794 18.221 19.000 0.025 0.000 0.805 150 A HN 0.540 nan 8.150 nan 0.000 0.449 151 S N -1.171 114.472 115.700 -0.095 0.000 2.474 151 S HA -0.041 4.431 4.470 0.002 0.000 0.235 151 S C 1.137 175.497 174.600 -0.400 0.000 0.997 151 S CA 0.951 58.987 58.200 -0.273 0.000 0.949 151 S CB -0.687 62.269 63.200 -0.406 0.000 0.766 151 S HN 0.401 nan 8.310 nan 0.000 0.517 152 F N 0.832 120.769 119.950 -0.022 0.000 2.727 152 F HA 0.489 5.018 4.527 0.003 0.000 0.302 152 F C 1.045 176.833 175.800 -0.019 0.000 1.097 152 F CA -0.083 57.899 58.000 -0.030 0.000 1.330 152 F CB 0.100 39.070 39.000 -0.049 0.000 1.084 152 F HN 0.163 nan 8.300 nan 0.000 0.578 153 L N -0.828 120.457 121.223 0.103 0.000 3.168 153 L HA 0.165 4.506 4.340 0.002 0.000 0.277 153 L C 1.471 178.361 176.870 0.034 0.000 1.245 153 L CA 0.034 54.917 54.840 0.073 0.000 1.035 153 L CB -0.305 41.796 42.059 0.071 0.000 1.399 153 L HN -0.029 nan 8.230 nan 0.000 0.580 154 T N 0.036 114.595 114.554 0.008 0.000 2.720 154 T HA -0.194 4.157 4.350 0.002 0.000 0.268 154 T C 1.636 176.334 174.700 -0.002 0.000 1.037 154 T CA 2.054 64.148 62.100 -0.010 0.000 1.144 154 T CB -0.164 68.683 68.868 -0.034 0.000 0.864 154 T HN 0.568 nan 8.240 nan 0.000 0.444 155 D N 1.671 122.073 120.400 0.003 0.000 2.117 155 D HA -0.108 4.534 4.640 0.002 0.000 0.197 155 D C 2.119 178.417 176.300 -0.004 0.000 0.987 155 D CA 0.976 54.973 54.000 -0.004 0.000 0.829 155 D CB -0.741 40.058 40.800 -0.001 0.000 0.961 155 D HN 0.360 nan 8.370 nan 0.000 0.460 156 L N -0.587 120.654 121.223 0.030 0.000 2.109 156 L HA -0.026 4.316 4.340 0.002 0.000 0.207 156 L C 2.926 179.862 176.870 0.109 0.000 1.086 156 L CA 0.721 55.609 54.840 0.081 0.000 0.760 156 L CB -0.321 41.816 42.059 0.131 0.000 0.910 156 L HN -0.053 nan 8.230 nan 0.000 0.437 157 M N -0.519 119.120 119.600 0.064 0.000 2.132 157 M HA -0.192 4.289 4.480 0.002 0.000 0.263 157 M C 1.721 178.039 176.300 0.030 0.000 1.065 157 M CA 1.535 56.866 55.300 0.053 0.000 1.122 157 M CB -0.347 32.264 32.600 0.018 0.000 1.365 157 M HN 0.143 nan 8.290 nan 0.000 0.411 158 D N 0.399 120.799 120.400 0.000 0.000 2.097 158 D HA -0.160 4.482 4.640 0.002 0.000 0.197 158 D C 1.828 178.100 176.300 -0.047 0.000 0.984 158 D CA 1.109 55.097 54.000 -0.020 0.000 0.826 158 D CB -0.362 40.423 40.800 -0.026 0.000 0.973 158 D HN 0.275 nan 8.370 nan 0.000 0.460 159 K N 0.190 120.535 120.400 -0.091 0.000 2.063 159 K HA -0.173 4.148 4.320 0.002 0.000 0.208 159 K C 1.292 177.727 176.600 -0.274 0.000 1.048 159 K CA 1.208 57.372 56.287 -0.206 0.000 0.928 159 K CB -0.023 32.295 32.500 -0.303 0.000 0.713 159 K HN 0.293 nan 8.250 nan 0.000 0.442 160 H N 0.454 119.515 119.070 -0.015 0.000 2.551 160 H HA 0.110 4.667 4.556 0.002 0.000 0.271 160 H C 0.021 175.336 175.328 -0.021 0.000 0.984 160 H CA 0.219 56.257 56.048 -0.018 0.000 1.164 160 H CB 0.632 30.382 29.762 -0.020 0.000 1.437 160 H HN 0.248 nan 8.280 nan 0.000 0.550 161 Q N 0.280 120.112 119.800 0.053 0.000 2.452 161 Q HA -0.132 4.210 4.340 0.002 0.000 0.318 161 Q C -0.171 175.843 176.000 0.025 0.000 1.386 161 Q CA 0.629 56.446 55.803 0.024 0.000 0.872 161 Q CB -2.338 26.408 28.738 0.013 0.000 1.151 161 Q HN 0.404 nan 8.270 nan 0.000 0.417 162 V N -2.628 117.302 119.914 0.028 0.000 3.001 162 V HA 0.954 5.075 4.120 0.002 0.000 0.314 162 V C 0.347 176.434 176.094 -0.012 0.000 1.099 162 V CA -0.266 62.035 62.300 0.001 0.000 0.989 162 V CB 2.499 34.317 31.823 -0.008 0.000 1.040 162 V HN 0.372 nan 8.190 nan 0.000 0.434 163 S N 2.396 118.079 115.700 -0.028 0.000 2.715 163 S HA 0.822 5.294 4.470 0.002 0.000 0.307 163 S C -0.807 173.763 174.600 -0.050 0.000 1.119 163 S CA -0.810 57.371 58.200 -0.032 0.000 0.937 163 S CB 1.722 64.905 63.200 -0.028 0.000 1.150 163 S HN 1.321 nan 8.310 nan 0.000 0.521 164 L N 2.872 124.067 121.223 -0.048 0.000 2.260 164 L HA 0.601 4.942 4.340 0.002 0.000 0.289 164 L C -2.254 174.575 176.870 -0.068 0.000 1.057 164 L CA -1.449 53.351 54.840 -0.067 0.000 0.811 164 L CB 0.325 42.358 42.059 -0.043 0.000 1.184 164 L HN 0.637 nan 8.230 nan 0.000 0.429 165 P HA 0.375 nan 4.420 nan 0.000 0.284 165 P C -1.157 176.095 177.300 -0.081 0.000 1.292 165 P CA -0.638 62.413 63.100 -0.082 0.000 0.800 165 P CB 1.070 32.712 31.700 -0.096 0.000 1.188 166 E N 0.246 120.418 120.200 -0.048 0.000 2.212 166 E HA 0.385 4.737 4.350 0.002 0.000 0.270 166 E C -2.062 174.524 176.600 -0.024 0.000 0.956 166 E CA -2.028 54.358 56.400 -0.023 0.000 0.825 166 E CB 0.839 30.544 29.700 0.009 0.000 1.167 166 E HN 0.403 nan 8.360 nan 0.000 0.400 167 P HA -0.046 nan 4.420 nan 0.000 0.272 167 P C 0.686 177.970 177.300 -0.027 0.000 1.223 167 P CA -0.045 63.067 63.100 0.020 0.000 0.784 167 P CB 0.909 32.657 31.700 0.080 0.000 0.923 168 V N -1.190 118.685 119.914 -0.065 0.000 3.129 168 V HA 0.409 4.531 4.120 0.002 0.000 0.259 168 V C 0.707 176.731 176.094 -0.118 0.000 1.116 168 V CA 1.041 63.300 62.300 -0.069 0.000 1.127 168 V CB -1.067 30.715 31.823 -0.068 0.000 0.742 168 V HN 0.751 nan 8.190 nan 0.000 0.474 169 A N -0.921 121.756 122.820 -0.237 0.000 2.594 169 A HA 0.709 5.031 4.320 0.002 0.000 0.296 169 A C -0.518 176.834 177.584 -0.386 0.000 1.061 169 A CA -0.195 51.583 52.037 -0.431 0.000 0.689 169 A CB 1.395 19.729 19.000 -1.110 0.000 1.280 169 A HN 0.149 nan 8.150 nan 0.000 0.406 170 T N 2.940 117.309 114.554 -0.309 0.000 2.847 170 T HA 0.505 4.857 4.350 0.002 0.000 0.291 170 T C -0.420 174.164 174.700 -0.193 0.000 0.998 170 T CA -0.282 61.681 62.100 -0.228 0.000 0.967 170 T CB 0.524 69.319 68.868 -0.122 0.000 0.954 170 T HN 0.457 nan 8.240 nan 0.000 0.441 171 I N 3.427 123.892 120.570 -0.175 0.000 2.315 171 I HA 0.310 4.481 4.170 0.002 0.000 0.291 171 I C 0.681 176.790 176.117 -0.014 0.000 1.006 171 I CA -0.725 60.542 61.300 -0.056 0.000 1.265 171 I CB 0.728 38.718 38.000 -0.016 0.000 1.387 171 I HN 0.522 nan 8.210 nan 0.000 0.475 172 E N 3.944 124.137 120.200 -0.012 0.000 2.349 172 E HA 0.268 4.619 4.350 0.002 0.000 0.265 172 E C 0.437 177.170 176.600 0.220 0.000 1.064 172 E CA -0.175 56.257 56.400 0.054 0.000 0.886 172 E CB 1.625 31.324 29.700 -0.002 0.000 1.036 172 E HN 0.457 nan 8.360 nan 0.000 0.413 173 S N 0.920 116.774 115.700 0.256 0.000 2.441 173 S HA 0.097 4.568 4.470 0.002 0.000 0.224 173 S C 0.275 175.150 174.600 0.459 0.000 1.043 173 S CA 0.171 58.602 58.200 0.385 0.000 0.948 173 S CB 0.100 63.461 63.200 0.267 0.000 0.810 173 S HN 0.295 nan 8.310 nan 0.000 0.504 174 F N 2.598 122.606 119.950 0.097 0.000 2.384 174 F HA 0.470 4.999 4.527 0.002 0.000 0.338 174 F C -2.303 173.616 175.800 0.198 0.000 1.103 174 F CA -3.347 54.698 58.000 0.075 0.000 1.157 174 F CB 0.061 39.083 39.000 0.037 0.000 1.167 174 F HN -0.044 nan 8.300 nan 0.000 0.529 175 P HA 0.191 nan 4.420 nan 0.000 0.274 175 P C -2.195 175.087 177.300 -0.030 0.000 1.256 175 P CA -1.238 61.917 63.100 0.092 0.000 0.795 175 P CB 0.268 31.954 31.700 -0.023 0.000 1.038 176 P HA -0.220 nan 4.420 nan 0.000 0.216 176 P C 1.538 178.762 177.300 -0.127 0.000 1.153 176 P CA 2.144 64.960 63.100 -0.475 0.000 0.858 176 P CB -0.409 30.876 31.700 -0.691 0.000 0.789 177 S N -1.531 114.100 115.700 -0.114 0.000 2.474 177 S HA -0.044 4.427 4.470 0.002 0.000 0.235 177 S C 1.772 176.362 174.600 -0.017 0.000 0.997 177 S CA 0.713 58.877 58.200 -0.059 0.000 0.949 177 S CB -1.333 61.827 63.200 -0.068 0.000 0.766 177 S HN 0.085 nan 8.310 nan 0.000 0.517 178 L N 0.152 121.384 121.223 0.014 0.000 2.418 178 L HA 0.359 4.701 4.340 0.002 0.000 0.218 178 L C 0.227 177.190 176.870 0.155 0.000 1.125 178 L CA 0.292 55.173 54.840 0.069 0.000 0.835 178 L CB -0.060 42.027 42.059 0.048 0.000 0.953 178 L HN 0.298 nan 8.230 nan 0.000 0.454 179 L N -0.192 121.120 121.223 0.149 0.000 2.307 179 L HA 0.158 4.500 4.340 0.002 0.000 0.284 179 L C 0.575 177.503 176.870 0.098 0.000 1.023 179 L CA -0.388 54.544 54.840 0.152 0.000 0.810 179 L CB 2.164 44.360 42.059 0.228 0.000 1.231 179 L HN -0.062 nan 8.230 nan 0.000 0.423 180 L N 1.798 123.067 121.223 0.076 0.000 2.477 180 L HA 0.274 4.616 4.340 0.002 0.000 0.220 180 L C 0.441 177.352 176.870 0.069 0.000 1.106 180 L CA 1.030 55.905 54.840 0.058 0.000 0.851 180 L CB 0.149 42.232 42.059 0.041 0.000 0.994 180 L HN 0.650 nan 8.230 nan 0.000 0.462 181 E N -0.556 119.695 120.200 0.087 0.000 2.308 181 E HA 0.607 4.959 4.350 0.002 0.000 0.275 181 E C -1.320 175.347 176.600 0.113 0.000 0.890 181 E CA -0.588 55.866 56.400 0.089 0.000 0.754 181 E CB 1.760 31.506 29.700 0.077 0.000 1.207 181 E HN 0.108 nan 8.360 nan 0.000 0.426 182 A N 3.545 126.435 122.820 0.117 0.000 2.293 182 A HA 0.429 4.751 4.320 0.002 0.000 0.302 182 A C -0.163 177.474 177.584 0.089 0.000 1.119 182 A CA -0.567 51.550 52.037 0.134 0.000 0.823 182 A CB 0.827 19.921 19.000 0.157 0.000 1.097 182 A HN 0.637 nan 8.150 nan 0.000 0.491 183 E N 1.558 121.795 120.200 0.060 0.000 2.349 183 E HA 0.301 4.652 4.350 0.002 0.000 0.265 183 E C -2.207 174.422 176.600 0.047 0.000 1.064 183 E CA -1.495 54.928 56.400 0.038 0.000 0.886 183 E CB 0.432 30.129 29.700 -0.004 0.000 1.036 183 E HN 0.443 nan 8.360 nan 0.000 0.413 184 P HA -0.006 nan 4.420 nan 0.000 0.268 184 P C -0.351 176.984 177.300 0.058 0.000 1.204 184 P CA 0.193 63.328 63.100 0.057 0.000 0.768 184 P CB 0.485 32.217 31.700 0.054 0.000 0.842 185 E N -0.340 119.913 120.200 0.089 0.000 2.440 185 E HA -0.177 4.175 4.350 0.002 0.000 0.246 185 E C 0.698 177.402 176.600 0.173 0.000 1.165 185 E CA 1.233 57.720 56.400 0.145 0.000 0.726 185 E CB -2.049 27.711 29.700 0.101 0.000 1.271 185 E HN 0.775 nan 8.360 nan 0.000 0.397 186 G N -0.101 108.759 108.800 0.101 0.000 2.378 186 G HA2 0.208 4.170 3.960 0.002 0.000 0.255 186 G HA3 0.208 4.170 3.960 0.002 0.000 0.255 186 G C -0.557 174.376 174.900 0.056 0.000 1.270 186 G CA -0.331 44.753 45.100 -0.027 0.000 0.876 186 G HN 0.089 nan 8.290 nan 0.000 0.521 187 W N 1.529 122.615 121.300 -0.358 0.000 2.632 187 W HA 0.624 5.285 4.660 0.002 0.000 0.328 187 W C -0.830 175.447 176.519 -0.404 0.000 1.044 187 W CA -1.260 55.933 57.345 -0.253 0.000 1.225 187 W CB 1.278 30.679 29.460 -0.099 0.000 1.396 187 W HN 0.303 nan 8.180 nan 0.000 0.499 188 F N 3.711 123.793 119.950 0.221 0.000 2.422 188 F HA 0.621 5.149 4.527 0.002 0.000 0.333 188 F C 0.388 176.290 175.800 0.170 0.000 1.095 188 F CA -0.929 57.175 58.000 0.174 0.000 1.038 188 F CB 1.446 40.514 39.000 0.114 0.000 1.156 188 F HN 0.013 nan 8.300 nan 0.000 0.483 189 M N 3.066 122.875 119.600 0.348 0.000 2.433 189 M HA 0.404 4.886 4.480 0.002 0.000 0.290 189 M C -0.611 175.844 176.300 0.258 0.000 1.173 189 M CA -0.746 54.710 55.300 0.261 0.000 0.905 189 M CB 2.042 34.783 32.600 0.235 0.000 1.692 189 M HN 0.656 nan 8.290 nan 0.000 0.462 190 R N 2.829 123.444 120.500 0.193 0.000 2.583 190 R HA -0.047 4.294 4.340 0.002 0.000 0.274 190 R C -1.095 175.354 176.300 0.247 0.000 0.998 190 R CA 0.395 56.608 56.100 0.187 0.000 1.081 190 R CB 0.549 30.918 30.300 0.114 0.000 0.940 190 R HN 0.760 nan 8.270 nan 0.000 0.413 191 W N 6.503 127.851 121.300 0.080 0.000 2.358 191 W HA 0.300 4.961 4.660 0.002 0.000 0.307 191 W C -1.546 175.001 176.519 0.046 0.000 1.203 191 W CA -0.612 56.778 57.345 0.076 0.000 1.279 191 W CB 0.823 30.330 29.460 0.078 0.000 1.264 191 W HN 0.214 nan 8.180 nan 0.000 0.474 192 V N 9.262 128.890 119.914 -0.477 0.000 2.326 192 V HA 0.171 4.292 4.120 0.002 0.000 0.281 192 V C -1.880 173.774 176.094 -0.732 0.000 1.015 192 V CA -1.962 60.090 62.300 -0.414 0.000 0.823 192 V CB 1.260 32.948 31.823 -0.225 0.000 1.009 192 V HN 0.432 nan 8.190 nan 0.000 0.436 193 P HA 0.048 nan 4.420 nan 0.000 0.264 193 P C -1.230 175.893 177.300 -0.296 0.000 1.183 193 P CA 0.381 63.232 63.100 -0.416 0.000 0.763 193 P CB 0.082 31.732 31.700 -0.083 0.000 0.807 194 Y N 1.910 122.036 120.300 -0.291 0.000 2.354 194 Y HA 0.573 5.125 4.550 0.003 0.000 0.330 194 Y C 0.497 176.331 175.900 -0.110 0.000 1.011 194 Y CA -0.443 57.511 58.100 -0.244 0.000 1.099 194 Y CB 1.572 39.749 38.460 -0.471 0.000 1.179 194 Y HN 0.473 nan 8.280 nan 0.000 0.442 195 G N 2.456 110.847 108.800 -0.681 0.000 3.695 195 G HA2 0.490 4.451 3.960 0.002 0.000 0.277 195 G HA3 0.490 4.451 3.960 0.002 0.000 0.277 195 G C 0.160 174.799 174.900 -0.435 0.000 1.001 195 G CA 0.019 44.968 45.100 -0.252 0.000 0.837 195 G HN 1.470 nan 8.290 nan 0.000 0.492 196 G N -1.138 106.760 108.800 -1.503 0.000 2.629 196 G HA2 0.451 4.412 3.960 0.002 0.000 0.686 196 G HA3 0.451 4.412 3.960 0.002 0.000 0.686 196 G C 0.343 175.119 174.900 -0.208 0.000 1.232 196 G CA -0.301 44.361 45.100 -0.730 0.000 0.803 196 G HN 1.067 nan 8.290 nan 0.000 0.638 197 G N -0.605 108.241 108.800 0.076 0.000 2.636 197 G HA2 0.810 4.771 3.960 0.002 0.000 0.246 197 G HA3 0.810 4.771 3.960 0.002 0.000 0.246 197 G C 0.385 175.421 174.900 0.227 0.000 1.216 197 G CA 0.777 45.978 45.100 0.168 0.000 0.854 197 G HN 2.293 nan 8.290 nan 0.000 0.572 198 A N -0.154 122.762 122.820 0.160 0.000 2.540 198 A HA 0.521 4.842 4.320 0.002 0.000 0.297 198 A C -0.811 176.827 177.584 0.090 0.000 1.056 198 A CA -0.510 51.637 52.037 0.183 0.000 0.700 198 A CB 1.581 20.601 19.000 0.034 0.000 1.280 198 A HN 1.101 nan 8.150 nan 0.000 0.398 199 V N 4.508 124.483 119.914 0.101 0.000 2.370 199 V HA 0.081 4.202 4.120 0.002 0.000 0.257 199 V C 1.375 177.490 176.094 0.035 0.000 1.064 199 V CA 0.120 62.455 62.300 0.057 0.000 0.975 199 V CB 0.136 31.994 31.823 0.059 0.000 1.067 199 V HN 0.845 nan 8.190 nan 0.000 0.485 200 L N 4.201 125.422 121.223 -0.003 0.000 2.275 200 L HA 0.187 4.528 4.340 0.002 0.000 0.215 200 L C 1.412 178.273 176.870 -0.015 0.000 1.119 200 L CA 1.220 56.040 54.840 -0.033 0.000 0.790 200 L CB -0.603 41.421 42.059 -0.058 0.000 0.919 200 L HN 0.932 nan 8.230 nan 0.000 0.443 201 G N 0.738 109.539 108.800 0.001 0.000 2.297 201 G HA2 -0.212 3.750 3.960 0.002 0.000 0.209 201 G HA3 -0.212 3.750 3.960 0.002 0.000 0.209 201 G C -0.746 174.155 174.900 0.001 0.000 1.267 201 G CA 0.016 45.118 45.100 0.005 0.000 1.127 201 G HN 0.261 nan 8.290 nan 0.000 0.498 202 D N 0.162 120.562 120.400 0.000 0.000 2.368 202 D HA 0.428 5.070 4.640 0.002 0.000 0.218 202 D C 0.939 177.236 176.300 -0.005 0.000 1.112 202 D CA 0.229 54.228 54.000 -0.001 0.000 0.834 202 D CB 0.336 41.136 40.800 0.001 0.000 0.953 202 D HN 0.673 nan 8.370 nan 0.000 0.505 203 R N -0.862 119.633 120.500 -0.008 0.000 2.712 203 R HA 0.422 4.763 4.340 0.002 0.000 0.272 203 R C -0.982 175.307 176.300 -0.019 0.000 1.032 203 R CA -0.890 55.203 56.100 -0.012 0.000 0.874 203 R CB 1.192 31.485 30.300 -0.010 0.000 1.256 203 R HN -0.051 nan 8.270 nan 0.000 0.468 204 L N 2.166 123.376 121.223 -0.022 0.000 2.464 204 L HA 0.314 4.656 4.340 0.002 0.000 0.264 204 L C -1.923 174.928 176.870 -0.032 0.000 1.199 204 L CA -1.687 53.134 54.840 -0.031 0.000 0.818 204 L CB 0.439 42.481 42.059 -0.028 0.000 1.102 204 L HN 0.264 nan 8.230 nan 0.000 0.473 205 P HA 0.014 nan 4.420 nan 0.000 0.265 205 P C -2.355 174.927 177.300 -0.030 0.000 1.187 205 P CA -0.649 62.427 63.100 -0.040 0.000 0.766 205 P CB -0.313 31.352 31.700 -0.057 0.000 0.820 206 P HA -0.010 nan 4.420 nan 0.000 0.268 206 P C -0.605 176.684 177.300 -0.019 0.000 1.205 206 P CA 0.220 63.309 63.100 -0.017 0.000 0.771 206 P CB 0.357 32.049 31.700 -0.012 0.000 0.858 207 V N 5.918 125.821 119.914 -0.017 0.000 2.455 207 V HA 0.134 4.256 4.120 0.002 0.000 0.273 207 V C -1.209 174.875 176.094 -0.017 0.000 1.045 207 V CA -1.064 61.225 62.300 -0.018 0.000 0.976 207 V CB 0.130 31.944 31.823 -0.016 0.000 0.993 207 V HN 0.660 nan 8.190 nan 0.000 0.475 208 P HA 0.187 nan 4.420 nan 0.000 0.272 208 P C 0.760 178.049 177.300 -0.019 0.000 1.230 208 P CA -0.194 62.896 63.100 -0.018 0.000 0.788 208 P CB 1.011 32.698 31.700 -0.022 0.000 0.949 209 A N 2.224 125.034 122.820 -0.016 0.000 1.927 209 A HA -0.187 4.135 4.320 0.002 0.000 0.220 209 A C 1.342 178.913 177.584 -0.021 0.000 1.185 209 A CA 1.611 53.638 52.037 -0.016 0.000 0.639 209 A CB -0.502 18.490 19.000 -0.013 0.000 0.820 209 A HN 0.687 nan 8.150 nan 0.000 0.451 210 R N -0.969 119.514 120.500 -0.028 0.000 2.673 210 R HA 0.468 4.809 4.340 0.002 0.000 0.281 210 R C -3.241 173.031 176.300 -0.047 0.000 0.991 210 R CA -2.141 53.937 56.100 -0.036 0.000 0.896 210 R CB 1.534 31.810 30.300 -0.040 0.000 1.201 210 R HN -0.030 nan 8.270 nan 0.000 0.457 211 P HA 0.013 nan 4.420 nan 0.000 0.266 211 P C -1.065 176.182 177.300 -0.088 0.000 1.195 211 P CA 0.169 63.234 63.100 -0.058 0.000 0.768 211 P CB 0.628 32.297 31.700 -0.051 0.000 0.838 212 E N 0.335 120.482 120.200 -0.089 0.000 2.232 212 E HA 0.399 4.750 4.350 0.002 0.000 0.265 212 E C -0.725 175.777 176.600 -0.163 0.000 1.001 212 E CA -1.098 55.220 56.400 -0.136 0.000 0.870 212 E CB 1.130 30.783 29.700 -0.078 0.000 1.175 212 E HN 0.080 nan 8.360 nan 0.000 0.407 213 V N 1.886 121.624 119.914 -0.292 0.000 2.383 213 V HA 0.332 4.454 4.120 0.002 0.000 0.275 213 V C 0.030 176.124 176.094 -0.000 0.000 1.036 213 V CA -0.591 61.580 62.300 -0.214 0.000 0.889 213 V CB 0.896 32.444 31.823 -0.458 0.000 0.985 213 V HN 0.729 nan 8.190 nan 0.000 0.459 214 A N 6.734 129.585 122.820 0.052 0.000 2.401 214 A HA 0.701 5.023 4.320 0.002 0.000 0.259 214 A C -0.310 177.374 177.584 0.166 0.000 1.103 214 A CA -0.179 51.921 52.037 0.105 0.000 0.789 214 A CB -0.013 19.035 19.000 0.079 0.000 1.035 214 A HN 0.794 nan 8.150 nan 0.000 0.491 215 I N 2.156 122.836 120.570 0.183 0.000 2.382 215 I HA 0.401 4.572 4.170 0.002 0.000 0.286 215 I C 0.288 176.511 176.117 0.177 0.000 1.002 215 I CA -0.029 61.378 61.300 0.177 0.000 1.135 215 I CB 1.925 40.018 38.000 0.154 0.000 1.288 215 I HN 0.635 nan 8.210 nan 0.000 0.448 216 T N 7.019 121.706 114.554 0.221 0.000 2.906 216 T HA 0.765 5.116 4.350 0.002 0.000 0.295 216 T C -1.104 173.784 174.700 0.313 0.000 1.075 216 T CA -0.569 61.667 62.100 0.227 0.000 1.005 216 T CB 1.760 70.744 68.868 0.192 0.000 1.136 216 T HN 0.589 nan 8.240 nan 0.000 0.498 217 M N 2.097 121.810 119.600 0.190 0.000 2.413 217 M HA 0.575 5.057 4.480 0.002 0.000 0.287 217 M C -0.114 176.238 176.300 0.088 0.000 1.186 217 M CA -0.616 54.739 55.300 0.092 0.000 0.927 217 M CB 1.745 34.200 32.600 -0.242 0.000 1.715 217 M HN 0.811 nan 8.290 nan 0.000 0.478 218 G N 1.000 109.858 108.800 0.096 0.000 2.527 218 G HA2 0.314 4.275 3.960 0.002 0.000 0.248 218 G HA3 0.314 4.275 3.960 0.002 0.000 0.248 218 G C 0.888 175.807 174.900 0.032 0.000 1.231 218 G CA 0.177 45.328 45.100 0.085 0.000 0.838 218 G HN 0.894 nan 8.290 nan 0.000 0.570 219 T N 0.203 114.756 114.554 -0.002 0.000 2.833 219 T HA -0.159 4.193 4.350 0.002 0.000 0.269 219 T C 2.192 176.857 174.700 -0.059 0.000 1.054 219 T CA 1.436 63.507 62.100 -0.049 0.000 1.135 219 T CB -0.248 68.551 68.868 -0.114 0.000 0.869 219 T HN 0.370 nan 8.240 nan 0.000 0.466 220 I N 1.062 121.597 120.570 -0.060 0.000 2.333 220 I HA -0.008 4.163 4.170 0.002 0.000 0.246 220 I C 2.719 178.809 176.117 -0.044 0.000 1.106 220 I CA 1.002 62.261 61.300 -0.069 0.000 1.411 220 I CB -0.457 37.495 38.000 -0.080 0.000 1.082 220 I HN 0.090 nan 8.210 nan 0.000 0.420 221 E N 1.509 121.729 120.200 0.032 0.000 2.049 221 E HA -0.218 4.133 4.350 0.002 0.000 0.198 221 E C 2.203 178.883 176.600 0.133 0.000 1.007 221 E CA 1.476 57.972 56.400 0.160 0.000 0.809 221 E CB -0.581 29.232 29.700 0.189 0.000 0.749 221 E HN 0.375 nan 8.360 nan 0.000 0.450 222 L N 0.288 121.532 121.223 0.036 0.000 2.042 222 L HA -0.268 4.074 4.340 0.002 0.000 0.210 222 L C 2.519 179.384 176.870 -0.009 0.000 1.076 222 L CA 1.497 56.341 54.840 0.008 0.000 0.749 222 L CB -0.302 41.748 42.059 -0.016 0.000 0.893 222 L HN 0.182 nan 8.230 nan 0.000 0.432 223 Q N -1.033 118.740 119.800 -0.045 0.000 2.187 223 Q HA -0.089 4.252 4.340 0.002 0.000 0.199 223 Q C 2.377 178.297 176.000 -0.134 0.000 0.957 223 Q CA 1.156 56.915 55.803 -0.074 0.000 0.857 223 Q CB -0.076 28.617 28.738 -0.076 0.000 0.929 223 Q HN 0.565 nan 8.270 nan 0.000 0.453 224 A N -0.343 122.340 122.820 -0.230 0.000 1.897 224 A HA -0.079 4.243 4.320 0.002 0.000 0.215 224 A C 1.383 178.614 177.584 -0.588 0.000 1.181 224 A CA 1.037 52.772 52.037 -0.504 0.000 0.620 224 A CB -0.251 18.267 19.000 -0.803 0.000 0.821 224 A HN 0.359 nan 8.150 nan 0.000 0.443 225 F N -1.268 118.673 119.950 -0.016 0.000 2.727 225 F HA 0.432 4.959 4.527 0.001 0.000 0.302 225 F C 1.397 177.188 175.800 -0.014 0.000 1.107 225 F CA 0.525 58.520 58.000 -0.009 0.000 1.277 225 F CB 0.353 39.352 39.000 -0.001 0.000 1.079 225 F HN 0.453 nan 8.300 nan 0.000 0.594 226 G N 1.186 110.048 108.800 0.104 0.000 2.746 226 G HA2 -0.276 3.685 3.960 0.002 0.000 0.685 226 G HA3 -0.276 3.685 3.960 0.002 0.000 0.685 226 G C 0.110 175.041 174.900 0.053 0.000 1.350 226 G CA -0.307 44.827 45.100 0.057 0.000 0.837 226 G HN 0.256 nan 8.290 nan 0.000 0.564 227 I N 1.306 121.893 120.570 0.028 0.000 3.444 227 I HA 0.182 4.353 4.170 0.002 0.000 0.287 227 I C 2.316 178.448 176.117 0.026 0.000 1.302 227 I CA 1.441 62.752 61.300 0.018 0.000 1.368 227 I CB -0.290 37.717 38.000 0.013 0.000 1.048 227 I HN 0.757 nan 8.210 nan 0.000 0.487 228 G N 0.233 109.055 108.800 0.037 0.000 2.534 228 G HA2 -0.154 3.808 3.960 0.002 0.000 0.217 228 G HA3 -0.154 3.808 3.960 0.002 0.000 0.217 228 G C 1.498 176.426 174.900 0.048 0.000 1.128 228 G CA 0.486 45.609 45.100 0.039 0.000 0.784 228 G HN 0.495 nan 8.290 nan 0.000 0.542 229 A N -0.127 122.727 122.820 0.058 0.000 2.252 229 A HA 0.432 4.754 4.320 0.002 0.000 0.207 229 A C 1.770 179.442 177.584 0.145 0.000 1.194 229 A CA 1.084 53.165 52.037 0.074 0.000 0.809 229 A CB 0.039 19.062 19.000 0.037 0.000 0.814 229 A HN 0.286 nan 8.150 nan 0.000 0.482 230 V N -1.887 118.079 119.914 0.088 0.000 3.350 230 V HA -0.020 4.102 4.120 0.002 0.000 0.246 230 V C 1.817 177.940 176.094 0.050 0.000 1.363 230 V CA 0.564 62.927 62.300 0.104 0.000 1.162 230 V CB -0.506 31.355 31.823 0.064 0.000 0.947 230 V HN 0.489 nan 8.190 nan 0.000 0.454 231 E N 1.581 121.797 120.200 0.028 0.000 2.097 231 E HA -0.216 4.135 4.350 0.002 0.000 0.196 231 E C -0.538 176.055 176.600 -0.012 0.000 1.000 231 E CA 1.955 58.358 56.400 0.004 0.000 0.804 231 E CB -1.274 28.429 29.700 0.005 0.000 0.740 231 E HN 0.533 nan 8.360 nan 0.000 0.454 232 P HA -0.102 nan 4.420 nan 0.000 0.217 232 P C 1.441 178.714 177.300 -0.046 0.000 1.151 232 P CA 0.981 64.067 63.100 -0.023 0.000 0.828 232 P CB -0.041 31.650 31.700 -0.015 0.000 0.788 233 I N -1.030 119.516 120.570 -0.040 0.000 2.142 233 I HA -0.241 3.930 4.170 0.002 0.000 0.240 233 I C 2.262 178.296 176.117 -0.140 0.000 1.078 233 I CA 1.507 62.763 61.300 -0.074 0.000 1.343 233 I CB -0.670 37.307 38.000 -0.038 0.000 1.046 233 I HN -0.147 nan 8.210 nan 0.000 0.405 234 I N 0.871 121.374 120.570 -0.112 0.000 2.208 234 I HA -0.331 3.840 4.170 0.002 0.000 0.245 234 I C 2.798 178.814 176.117 -0.167 0.000 1.097 234 I CA 1.505 62.712 61.300 -0.155 0.000 1.363 234 I CB -0.518 37.435 38.000 -0.079 0.000 1.051 234 I HN 0.215 nan 8.210 nan 0.000 0.413 235 A N 0.643 123.398 122.820 -0.108 0.000 1.883 235 A HA -0.204 4.117 4.320 0.002 0.000 0.217 235 A C 2.546 180.065 177.584 -0.109 0.000 1.186 235 A CA 2.043 54.026 52.037 -0.089 0.000 0.624 235 A CB -0.950 18.017 19.000 -0.056 0.000 0.822 235 A HN 0.443 nan 8.150 nan 0.000 0.444 236 A N -0.164 122.583 122.820 -0.121 0.000 1.877 236 A HA 0.154 4.476 4.320 0.002 0.000 0.216 236 A C 2.542 180.012 177.584 -0.189 0.000 1.186 236 A CA 2.203 54.169 52.037 -0.118 0.000 0.620 236 A CB -1.151 17.792 19.000 -0.095 0.000 0.822 236 A HN 1.147 nan 8.150 nan 0.000 0.443 237 A N -0.410 122.177 122.820 -0.387 0.000 1.917 237 A HA 0.022 4.343 4.320 0.002 0.000 0.219 237 A C 2.386 179.709 177.584 -0.437 0.000 1.182 237 A CA 2.039 53.570 52.037 -0.844 0.000 0.633 237 A CB -1.490 16.555 19.000 -1.593 0.000 0.819 237 A HN 0.894 nan 8.150 nan 0.000 0.448 238 G N -0.837 107.807 108.800 -0.260 0.000 2.535 238 G HA2 -0.124 3.837 3.960 0.002 0.000 0.218 238 G HA3 -0.124 3.837 3.960 0.002 0.000 0.218 238 G C 1.208 176.085 174.900 -0.039 0.000 1.122 238 G CA 0.914 45.950 45.100 -0.107 0.000 0.769 238 G HN 0.722 nan 8.290 nan 0.000 0.549 239 E N -0.686 119.489 120.200 -0.041 0.000 2.472 239 E HA 0.150 4.501 4.350 0.002 0.000 0.196 239 E C -0.052 176.570 176.600 0.038 0.000 1.033 239 E CA -0.290 56.108 56.400 -0.002 0.000 0.886 239 E CB 0.948 30.640 29.700 -0.013 0.000 0.944 239 E HN 0.204 nan 8.360 nan 0.000 0.492 240 V N 2.266 122.230 119.914 0.084 0.000 2.481 240 V HA 0.032 4.154 4.120 0.002 0.000 0.286 240 V C 0.262 176.462 176.094 0.178 0.000 1.042 240 V CA -0.624 61.772 62.300 0.160 0.000 0.928 240 V CB 1.494 33.492 31.823 0.292 0.000 0.986 240 V HN 0.020 nan 8.190 nan 0.000 0.462 241 D N 3.830 124.292 120.400 0.103 0.000 2.662 241 D HA 0.415 5.056 4.640 0.002 0.000 0.228 241 D C 0.066 176.390 176.300 0.040 0.000 1.093 241 D CA 0.493 54.533 54.000 0.066 0.000 1.075 241 D CB -0.078 40.742 40.800 0.034 0.000 1.122 241 D HN 0.763 nan 8.370 nan 0.000 0.475 242 A N 1.660 124.517 122.820 0.061 0.000 2.602 242 A HA 0.524 4.845 4.320 0.002 0.000 0.290 242 A C -1.218 176.300 177.584 -0.109 0.000 1.114 242 A CA -0.910 51.062 52.037 -0.110 0.000 0.683 242 A CB 1.294 20.100 19.000 -0.323 0.000 1.281 242 A HN 0.159 nan 8.150 nan 0.000 0.416 243 D N 0.253 120.512 120.400 -0.234 0.000 2.168 243 D HA 0.658 5.300 4.640 0.002 0.000 0.246 243 D C -1.240 174.864 176.300 -0.327 0.000 1.050 243 D CA 0.539 54.468 54.000 -0.119 0.000 0.857 243 D CB 1.136 41.898 40.800 -0.062 0.000 1.169 243 D HN 0.282 nan 8.370 nan 0.000 0.453 244 F N 0.228 120.181 119.950 0.005 0.000 2.546 244 F HA 0.425 4.954 4.527 0.005 0.000 0.320 244 F C 0.070 175.876 175.800 0.011 0.000 1.076 244 F CA -1.195 56.810 58.000 0.008 0.000 0.928 244 F CB 2.104 41.110 39.000 0.011 0.000 1.189 244 F HN -0.034 nan 8.300 nan 0.000 0.465 245 V N 4.896 124.923 119.914 0.188 0.000 2.444 245 V HA 0.555 4.676 4.120 0.002 0.000 0.294 245 V C -1.512 174.657 176.094 0.125 0.000 1.022 245 V CA -0.737 61.634 62.300 0.117 0.000 0.850 245 V CB 1.468 33.324 31.823 0.054 0.000 0.992 245 V HN 0.617 nan 8.190 nan 0.000 0.426 246 L N 7.221 128.507 121.223 0.105 0.000 2.264 246 L HA 0.853 5.194 4.340 0.002 0.000 0.289 246 L C 0.236 177.155 176.870 0.083 0.000 1.044 246 L CA 0.255 55.153 54.840 0.096 0.000 0.807 246 L CB 1.212 43.316 42.059 0.076 0.000 1.192 246 L HN 0.791 nan 8.230 nan 0.000 0.425 247 A N 6.705 129.582 122.820 0.095 0.000 2.586 247 A HA 0.522 4.843 4.320 0.002 0.000 0.320 247 A C -0.352 177.307 177.584 0.124 0.000 1.281 247 A CA -0.388 51.708 52.037 0.097 0.000 0.775 247 A CB -0.019 19.026 19.000 0.076 0.000 1.122 247 A HN 0.746 nan 8.150 nan 0.000 0.470 248 L N 2.572 123.863 121.223 0.113 0.000 3.034 248 L HA 0.428 4.770 4.340 0.002 0.000 0.245 248 L C 1.288 178.227 176.870 0.115 0.000 1.295 248 L CA 0.286 55.185 54.840 0.098 0.000 1.068 248 L CB -0.536 41.559 42.059 0.061 0.000 1.426 248 L HN 1.021 nan 8.230 nan 0.000 0.531 249 G N 0.734 109.658 108.800 0.207 0.000 2.539 249 G HA2 -0.282 3.679 3.960 0.002 0.000 0.256 249 G HA3 -0.282 3.679 3.960 0.002 0.000 0.256 249 G C -0.096 174.918 174.900 0.191 0.000 1.233 249 G CA -0.094 45.152 45.100 0.244 0.000 0.936 249 G HN 0.347 nan 8.290 nan 0.000 0.571 250 D N 0.570 121.024 120.400 0.090 0.000 2.894 250 D HA 0.420 5.062 4.640 0.002 0.000 0.248 250 D C 0.431 176.747 176.300 0.027 0.000 1.291 250 D CA -0.116 53.927 54.000 0.071 0.000 0.840 250 D CB 0.213 41.045 40.800 0.053 0.000 1.044 250 D HN 0.359 nan 8.370 nan 0.000 0.484 251 L N 0.767 122.009 121.223 0.031 0.000 2.375 251 L HA 0.201 4.542 4.340 0.002 0.000 0.271 251 L C 0.342 177.224 176.870 0.020 0.000 1.107 251 L CA -0.439 54.410 54.840 0.014 0.000 0.806 251 L CB 1.061 43.128 42.059 0.012 0.000 1.146 251 L HN -0.131 nan 8.230 nan 0.000 0.447 252 D N 3.181 123.588 120.400 0.011 0.000 2.472 252 D HA -0.095 4.547 4.640 0.002 0.000 0.248 252 D C 0.851 177.160 176.300 0.016 0.000 1.174 252 D CA 0.702 54.710 54.000 0.013 0.000 0.883 252 D CB 0.573 41.377 40.800 0.007 0.000 1.149 252 D HN 0.576 nan 8.370 nan 0.000 0.488 253 I N 2.655 123.237 120.570 0.020 0.000 3.030 253 I HA -0.151 4.021 4.170 0.002 0.000 0.270 253 I C 1.693 177.820 176.117 0.016 0.000 1.211 253 I CA 0.165 61.477 61.300 0.021 0.000 1.479 253 I CB 0.243 38.259 38.000 0.027 0.000 1.105 253 I HN 0.249 nan 8.210 nan 0.000 0.447 254 S N 2.101 117.809 115.700 0.014 0.000 2.383 254 S HA -0.093 4.378 4.470 0.002 0.000 0.229 254 S C -0.654 173.952 174.600 0.009 0.000 1.030 254 S CA 1.375 59.582 58.200 0.011 0.000 1.002 254 S CB -1.473 61.733 63.200 0.010 0.000 0.829 254 S HN 0.402 nan 8.310 nan 0.000 0.467 255 P HA -0.045 nan 4.420 nan 0.000 0.227 255 P C 0.696 178.001 177.300 0.008 0.000 1.145 255 P CA 0.882 63.987 63.100 0.008 0.000 0.769 255 P CB -0.180 31.525 31.700 0.009 0.000 0.769 256 L N -3.558 117.670 121.223 0.009 0.000 2.513 256 L HA 0.266 4.607 4.340 0.002 0.000 0.222 256 L C 1.505 178.378 176.870 0.004 0.000 1.096 256 L CA 0.370 55.214 54.840 0.006 0.000 0.857 256 L CB -0.909 41.154 42.059 0.008 0.000 1.026 256 L HN 0.077 nan 8.230 nan 0.000 0.469 257 G N 0.383 109.186 108.800 0.006 0.000 2.598 257 G HA2 -0.274 3.687 3.960 0.002 0.000 0.244 257 G HA3 -0.274 3.687 3.960 0.002 0.000 0.244 257 G C -0.058 174.845 174.900 0.005 0.000 1.302 257 G CA -0.292 44.811 45.100 0.005 0.000 0.903 257 G HN 0.065 nan 8.290 nan 0.000 0.575 258 T N 1.708 116.264 114.554 0.004 0.000 2.831 258 T HA 0.384 4.736 4.350 0.002 0.000 0.291 258 T C 1.186 175.888 174.700 0.002 0.000 0.981 258 T CA 0.318 62.421 62.100 0.005 0.000 1.174 258 T CB 0.096 68.967 68.868 0.005 0.000 0.929 258 T HN 0.571 nan 8.240 nan 0.000 0.532 259 L N 5.176 126.402 121.223 0.005 0.000 2.472 259 L HA 0.270 4.611 4.340 0.002 0.000 0.260 259 L C -1.624 175.245 176.870 -0.001 0.000 1.209 259 L CA -2.063 52.778 54.840 0.001 0.000 0.817 259 L CB -0.196 41.870 42.059 0.011 0.000 1.106 259 L HN 0.397 nan 8.230 nan 0.000 0.479 260 P HA 0.085 nan 4.420 nan 0.000 0.270 260 P C -0.205 177.104 177.300 0.016 0.000 1.223 260 P CA -0.227 62.869 63.100 -0.006 0.000 0.785 260 P CB 0.494 32.176 31.700 -0.031 0.000 0.923 261 R N 1.351 121.865 120.500 0.023 0.000 2.237 261 R HA -0.061 4.280 4.340 0.002 0.000 0.219 261 R C 1.355 177.686 176.300 0.052 0.000 1.080 261 R CA 1.004 57.123 56.100 0.032 0.000 0.995 261 R CB -0.674 29.642 30.300 0.026 0.000 0.875 261 R HN 0.543 nan 8.270 nan 0.000 0.462 262 N N -0.327 118.418 118.700 0.075 0.000 2.268 262 N HA 0.006 4.747 4.740 0.002 0.000 0.204 262 N C -0.769 174.858 175.510 0.196 0.000 1.124 262 N CA 0.071 53.201 53.050 0.133 0.000 0.838 262 N CB 0.666 39.261 38.487 0.180 0.000 0.994 262 N HN -0.107 nan 8.380 nan 0.000 0.489 263 V N 1.891 121.878 119.914 0.120 0.000 2.444 263 V HA 0.414 4.535 4.120 0.002 0.000 0.294 263 V C -0.121 176.022 176.094 0.082 0.000 1.022 263 V CA -1.011 61.363 62.300 0.123 0.000 0.850 263 V CB 1.451 33.298 31.823 0.040 0.000 0.992 263 V HN 0.316 nan 8.190 nan 0.000 0.426 264 R N 3.704 124.258 120.500 0.089 0.000 2.514 264 R HA 0.901 5.242 4.340 0.002 0.000 0.301 264 R C -0.362 175.972 176.300 0.057 0.000 0.962 264 R CA -0.524 55.612 56.100 0.059 0.000 0.882 264 R CB 1.972 32.301 30.300 0.049 0.000 1.143 264 R HN 0.637 nan 8.270 nan 0.000 0.452 265 A N 2.882 125.729 122.820 0.045 0.000 2.327 265 A HA 0.541 4.862 4.320 0.002 0.000 0.283 265 A C -0.343 177.265 177.584 0.039 0.000 1.127 265 A CA -0.656 51.408 52.037 0.045 0.000 0.810 265 A CB 1.112 20.136 19.000 0.041 0.000 1.066 265 A HN 0.504 nan 8.150 nan 0.000 0.492 266 V N 1.622 121.561 119.914 0.041 0.000 2.735 266 V HA 0.634 4.756 4.120 0.002 0.000 0.310 266 V C 1.059 177.180 176.094 0.046 0.000 1.061 266 V CA -0.213 62.104 62.300 0.029 0.000 0.913 266 V CB 1.816 33.644 31.823 0.008 0.000 1.005 266 V HN 1.239 nan 8.190 nan 0.000 0.428 267 G N 0.870 109.699 108.800 0.048 0.000 2.684 267 G HA2 0.217 4.178 3.960 0.002 0.000 0.255 267 G HA3 0.217 4.178 3.960 0.002 0.000 0.255 267 G C -0.875 174.091 174.900 0.110 0.000 1.219 267 G CA -0.318 44.835 45.100 0.089 0.000 0.901 267 G HN 0.780 nan 8.290 nan 0.000 0.548 268 W N 1.474 122.772 121.300 -0.003 0.000 2.308 268 W HA 0.461 5.122 4.660 0.001 0.000 0.324 268 W C 0.676 177.182 176.519 -0.022 0.000 1.387 268 W CA 0.176 57.516 57.345 -0.009 0.000 1.250 268 W CB 0.507 29.964 29.460 -0.006 0.000 1.257 268 W HN 0.654 nan 8.180 nan 0.000 0.554 269 T N 4.040 118.014 114.554 -0.966 0.000 2.906 269 T HA 0.579 4.930 4.350 0.002 0.000 0.295 269 T C -2.733 170.974 174.700 -1.656 0.000 1.075 269 T CA -2.496 58.858 62.100 -1.244 0.000 1.005 269 T CB 1.702 70.216 68.868 -0.590 0.000 1.136 269 T HN 0.158 nan 8.240 nan 0.000 0.498 270 P HA 0.055 nan 4.420 nan 0.000 0.264 270 P C 0.900 177.857 177.300 -0.572 0.000 1.179 270 P CA -0.404 62.227 63.100 -0.782 0.000 0.763 270 P CB 0.342 31.649 31.700 -0.654 0.000 0.806 271 L N 4.462 125.548 121.223 -0.229 0.000 2.079 271 L HA -0.212 4.129 4.340 0.002 0.000 0.210 271 L C 2.361 179.169 176.870 -0.102 0.000 1.081 271 L CA 1.840 56.623 54.840 -0.096 0.000 0.752 271 L CB -1.260 40.843 42.059 0.073 0.000 0.896 271 L HN 0.541 nan 8.230 nan 0.000 0.433 272 H N -3.133 115.929 119.070 -0.012 0.000 2.421 272 H HA -0.085 4.473 4.556 0.003 0.000 0.298 272 H C 1.664 176.971 175.328 -0.034 0.000 1.087 272 H CA 1.571 57.622 56.048 0.005 0.000 1.330 272 H CB -1.115 28.664 29.762 0.027 0.000 1.388 272 H HN 0.309 nan 8.280 nan 0.000 0.526 273 T N 1.901 116.113 114.554 -0.570 0.000 2.777 273 T HA -0.071 4.280 4.350 0.002 0.000 0.266 273 T C 2.231 176.812 174.700 -0.198 0.000 1.040 273 T CA 1.026 62.923 62.100 -0.337 0.000 1.141 273 T CB -0.317 68.284 68.868 -0.444 0.000 0.868 273 T HN 0.173 nan 8.240 nan 0.000 0.444 274 L N 1.033 122.129 121.223 -0.212 0.000 2.017 274 L HA 0.057 4.398 4.340 0.002 0.000 0.208 274 L C 1.979 178.814 176.870 -0.058 0.000 1.073 274 L CA 1.665 56.431 54.840 -0.123 0.000 0.745 274 L CB -0.494 41.499 42.059 -0.110 0.000 0.894 274 L HN 0.240 nan 8.230 nan 0.000 0.432 275 L N -1.084 120.120 121.223 -0.032 0.000 2.465 275 L HA -0.058 4.283 4.340 0.002 0.000 0.224 275 L C 2.510 179.385 176.870 0.007 0.000 1.145 275 L CA 0.335 55.179 54.840 0.006 0.000 0.834 275 L CB -0.527 41.556 42.059 0.039 0.000 0.944 275 L HN 0.233 nan 8.230 nan 0.000 0.451 276 R N 0.148 120.648 120.500 0.001 0.000 2.127 276 R HA -0.136 4.206 4.340 0.002 0.000 0.238 276 R C 2.024 178.321 176.300 -0.006 0.000 1.134 276 R CA 1.894 57.997 56.100 0.006 0.000 0.975 276 R CB -0.364 29.937 30.300 0.002 0.000 0.865 276 R HN 0.459 nan 8.270 nan 0.000 0.447 277 T N -3.630 110.914 114.554 -0.017 0.000 3.107 277 T HA 0.192 4.544 4.350 0.002 0.000 0.249 277 T C 0.573 175.257 174.700 -0.026 0.000 1.096 277 T CA -0.310 61.776 62.100 -0.022 0.000 1.012 277 T CB -0.026 68.826 68.868 -0.027 0.000 0.977 277 T HN 0.027 nan 8.240 nan 0.000 0.527 278 C N 0.792 120.079 119.300 -0.022 0.000 2.507 278 C HA 0.657 5.119 4.460 0.002 0.000 0.319 278 C C 1.809 176.780 174.990 -0.032 0.000 1.208 278 C CA -0.559 58.442 59.018 -0.029 0.000 1.619 278 C CB 1.585 29.317 27.740 -0.013 0.000 2.230 278 C HN 0.502 nan 8.230 nan 0.000 0.492 279 T N 0.632 115.154 114.554 -0.054 0.000 3.057 279 T HA 0.442 4.794 4.350 0.002 0.000 0.254 279 T C 0.305 174.980 174.700 -0.043 0.000 1.094 279 T CA 1.174 63.242 62.100 -0.053 0.000 1.088 279 T CB -0.011 68.811 68.868 -0.077 0.000 0.934 279 T HN 1.012 nan 8.240 nan 0.000 0.497 280 A N -0.473 122.324 122.820 -0.038 0.000 2.566 280 A HA 0.663 4.984 4.320 0.002 0.000 0.290 280 A C -1.803 175.787 177.584 0.010 0.000 1.071 280 A CA -0.538 51.488 52.037 -0.017 0.000 0.658 280 A CB 1.236 20.217 19.000 -0.033 0.000 1.285 280 A HN 0.405 nan 8.150 nan 0.000 0.427 281 V N 0.741 120.679 119.914 0.039 0.000 2.733 281 V HA 0.659 4.780 4.120 0.002 0.000 0.306 281 V C -1.350 174.782 176.094 0.062 0.000 1.084 281 V CA -0.469 61.882 62.300 0.086 0.000 0.905 281 V CB 1.835 33.741 31.823 0.139 0.000 1.010 281 V HN 1.137 nan 8.190 nan 0.000 0.424 282 V N 7.697 127.652 119.914 0.068 0.000 2.394 282 V HA 0.667 4.789 4.120 0.002 0.000 0.282 282 V C -0.137 175.975 176.094 0.030 0.000 1.031 282 V CA -0.125 62.158 62.300 -0.027 0.000 0.881 282 V CB 0.950 32.769 31.823 -0.006 0.000 0.982 282 V HN 1.214 nan 8.190 nan 0.000 0.451 283 H N 1.358 120.405 119.070 -0.038 0.000 2.959 283 H HA 0.658 5.215 4.556 0.002 0.000 0.296 283 H C -0.749 174.504 175.328 -0.125 0.000 1.421 283 H CA -0.965 55.102 56.048 0.032 0.000 1.206 283 H CB 1.222 31.038 29.762 0.090 0.000 1.891 283 H HN 0.434 nan 8.280 nan 0.000 0.573 284 H N -0.595 118.646 119.070 0.284 0.000 2.486 284 H HA 0.359 4.916 4.556 0.002 0.000 0.284 284 H C 0.929 176.395 175.328 0.230 0.000 1.103 284 H CA 0.188 56.333 56.048 0.162 0.000 1.089 284 H CB 0.658 30.477 29.762 0.095 0.000 1.603 284 H HN 1.081 nan 8.280 nan 0.000 0.557 285 G N 0.544 109.669 108.800 0.540 0.000 2.147 285 G HA2 -0.250 3.711 3.960 0.002 0.000 0.244 285 G HA3 -0.250 3.711 3.960 0.002 0.000 0.244 285 G C 0.849 175.871 174.900 0.204 0.000 1.005 285 G CA 0.065 45.359 45.100 0.322 0.000 0.713 285 G HN 0.750 nan 8.290 nan 0.000 0.515 286 G N -0.225 108.684 108.800 0.182 0.000 2.699 286 G HA2 0.584 4.546 3.960 0.002 0.000 0.246 286 G HA3 0.584 4.546 3.960 0.002 0.000 0.246 286 G C 1.054 176.019 174.900 0.108 0.000 1.219 286 G CA 0.328 45.513 45.100 0.141 0.000 0.866 286 G HN 1.432 nan 8.290 nan 0.000 0.572 287 G N -1.473 107.398 108.800 0.118 0.000 2.265 287 G HA2 0.496 4.457 3.960 0.002 0.000 0.240 287 G HA3 0.496 4.457 3.960 0.002 0.000 0.240 287 G C 1.322 176.335 174.900 0.188 0.000 1.270 287 G CA 0.678 45.867 45.100 0.148 0.000 0.901 287 G HN 2.031 nan 8.290 nan 0.000 0.507 288 G N 1.487 110.380 108.800 0.155 0.000 2.212 288 G HA2 -0.331 3.630 3.960 0.002 0.000 0.266 288 G HA3 -0.331 3.630 3.960 0.002 0.000 0.266 288 G C 1.539 176.431 174.900 -0.014 0.000 0.978 288 G CA 1.409 46.601 45.100 0.154 0.000 0.632 288 G HN 1.728 nan 8.290 nan 0.000 0.537 289 T N -1.526 112.977 114.554 -0.085 0.000 2.777 289 T HA 0.001 4.352 4.350 0.002 0.000 0.266 289 T C 2.262 176.740 174.700 -0.369 0.000 1.040 289 T CA 2.098 64.024 62.100 -0.289 0.000 1.141 289 T CB -0.433 68.070 68.868 -0.608 0.000 0.868 289 T HN 0.546 nan 8.240 nan 0.000 0.444 290 V N 1.347 121.083 119.914 -0.297 0.000 2.343 290 V HA -0.095 4.027 4.120 0.002 0.000 0.247 290 V C 2.809 178.701 176.094 -0.336 0.000 1.051 290 V CA 1.592 63.755 62.300 -0.229 0.000 1.036 290 V CB -0.649 31.066 31.823 -0.180 0.000 0.654 290 V HN 0.396 nan 8.190 nan 0.000 0.451 291 M N -0.603 118.693 119.600 -0.508 0.000 2.349 291 M HA -0.056 4.426 4.480 0.002 0.000 0.266 291 M C 2.176 178.300 176.300 -0.293 0.000 1.076 291 M CA 1.451 56.357 55.300 -0.656 0.000 1.126 291 M CB -1.478 30.294 32.600 -1.380 0.000 1.392 291 M HN 0.356 nan 8.290 nan 0.000 0.440 292 T N 0.838 115.343 114.554 -0.081 0.000 2.904 292 T HA 0.039 4.391 4.350 0.002 0.000 0.267 292 T C 1.897 176.663 174.700 0.110 0.000 1.059 292 T CA 1.299 63.541 62.100 0.237 0.000 1.137 292 T CB -0.110 68.955 68.868 0.329 0.000 0.879 292 T HN 0.438 nan 8.240 nan 0.000 0.467 293 A N 1.542 124.371 122.820 0.015 0.000 1.930 293 A HA -0.004 4.317 4.320 0.002 0.000 0.217 293 A C 2.196 179.785 177.584 0.009 0.000 1.175 293 A CA 0.932 52.984 52.037 0.026 0.000 0.627 293 A CB -0.552 18.474 19.000 0.043 0.000 0.815 293 A HN 0.361 nan 8.150 nan 0.000 0.443 294 I N 0.386 120.934 120.570 -0.037 0.000 2.202 294 I HA -0.208 3.963 4.170 0.002 0.000 0.242 294 I C 2.188 178.318 176.117 0.020 0.000 1.091 294 I CA 2.140 63.415 61.300 -0.042 0.000 1.368 294 I CB -1.384 36.545 38.000 -0.119 0.000 1.058 294 I HN 0.466 nan 8.210 nan 0.000 0.410 295 D N 1.058 121.509 120.400 0.084 0.000 2.158 295 D HA -0.179 4.462 4.640 0.002 0.000 0.197 295 D C 2.044 178.396 176.300 0.085 0.000 0.995 295 D CA 1.589 55.666 54.000 0.128 0.000 0.846 295 D CB 0.161 41.100 40.800 0.232 0.000 0.941 295 D HN 0.291 nan 8.370 nan 0.000 0.456 296 A N -0.766 122.101 122.820 0.078 0.000 2.119 296 A HA 0.346 4.667 4.320 0.002 0.000 0.216 296 A C 1.943 179.546 177.584 0.031 0.000 1.152 296 A CA 1.147 53.218 52.037 0.057 0.000 0.708 296 A CB -0.649 18.386 19.000 0.059 0.000 0.805 296 A HN 0.592 nan 8.150 nan 0.000 0.460 297 G N -0.420 108.393 108.800 0.022 0.000 2.160 297 G HA2 -0.224 3.737 3.960 0.002 0.000 0.244 297 G HA3 -0.224 3.737 3.960 0.002 0.000 0.244 297 G C 0.124 175.023 174.900 -0.002 0.000 1.022 297 G CA 0.444 45.548 45.100 0.005 0.000 0.741 297 G HN 1.430 nan 8.290 nan 0.000 0.508 298 I N -2.675 117.896 120.570 0.001 0.000 2.740 298 I HA 0.806 4.978 4.170 0.002 0.000 0.303 298 I C -2.325 173.788 176.117 -0.007 0.000 1.044 298 I CA -3.358 57.940 61.300 -0.004 0.000 1.064 298 I CB 2.312 40.313 38.000 0.002 0.000 1.249 298 I HN -0.114 nan 8.210 nan 0.000 0.433 299 P HA 0.164 nan 4.420 nan 0.000 0.271 299 P C -1.606 175.689 177.300 -0.009 0.000 1.218 299 P CA -0.000 63.089 63.100 -0.019 0.000 0.780 299 P CB 0.764 32.449 31.700 -0.025 0.000 0.901 300 Q N 1.118 120.909 119.800 -0.015 0.000 2.433 300 Q HA 0.704 5.046 4.340 0.002 0.000 0.279 300 Q C -1.593 174.351 176.000 -0.093 0.000 1.105 300 Q CA -1.297 54.495 55.803 -0.018 0.000 0.815 300 Q CB 1.784 30.562 28.738 0.067 0.000 1.403 300 Q HN 0.230 nan 8.270 nan 0.000 0.435 301 L N 2.390 123.509 121.223 -0.173 0.000 2.319 301 L HA 0.409 4.751 4.340 0.002 0.000 0.281 301 L C -1.661 174.946 176.870 -0.437 0.000 1.005 301 L CA -0.890 53.818 54.840 -0.220 0.000 0.828 301 L CB 1.592 43.560 42.059 -0.151 0.000 1.227 301 L HN 0.741 nan 8.230 nan 0.000 0.415 302 L N 6.068 127.063 121.223 -0.379 0.000 2.295 302 L HA 0.704 5.046 4.340 0.002 0.000 0.288 302 L C 0.020 176.718 176.870 -0.287 0.000 1.079 302 L CA 0.128 54.713 54.840 -0.426 0.000 0.830 302 L CB 0.584 42.538 42.059 -0.174 0.000 1.200 302 L HN 0.791 nan 8.230 nan 0.000 0.438 303 A N 7.753 130.362 122.820 -0.352 0.000 3.204 303 A HA 0.578 4.900 4.320 0.002 0.000 0.327 303 A C -2.617 174.770 177.584 -0.328 0.000 0.998 303 A CA -1.077 50.776 52.037 -0.306 0.000 0.891 303 A CB -0.451 18.351 19.000 -0.330 0.000 1.061 303 A HN 0.588 nan 8.150 nan 0.000 0.478 304 P HA 0.029 nan 4.420 nan 0.000 0.272 304 P C -0.418 176.813 177.300 -0.114 0.000 1.240 304 P CA -0.082 62.974 63.100 -0.074 0.000 0.791 304 P CB 0.700 32.378 31.700 -0.036 0.000 0.978 305 D N 1.843 122.119 120.400 -0.208 0.000 2.488 305 D HA -0.030 4.611 4.640 0.002 0.000 0.238 305 D C -1.019 175.082 176.300 -0.332 0.000 1.138 305 D CA -1.218 52.548 54.000 -0.390 0.000 0.873 305 D CB 0.658 40.843 40.800 -1.025 0.000 1.183 305 D HN 0.192 nan 8.370 nan 0.000 0.458 306 P HA -0.128 nan 4.420 nan 0.000 0.223 306 P C 0.847 178.105 177.300 -0.070 0.000 1.144 306 P CA 0.947 63.990 63.100 -0.095 0.000 0.783 306 P CB 0.218 31.888 31.700 -0.049 0.000 0.771 307 R N -0.853 119.590 120.500 -0.095 0.000 2.297 307 R HA 0.064 4.405 4.340 0.002 0.000 0.197 307 R C 0.730 177.120 176.300 0.151 0.000 0.943 307 R CA -0.151 55.996 56.100 0.079 0.000 1.038 307 R CB -0.254 30.205 30.300 0.266 0.000 0.957 307 R HN 0.108 nan 8.270 nan 0.000 0.484 308 D N 1.253 121.623 120.400 -0.051 0.000 2.401 308 D HA -0.034 4.608 4.640 0.002 0.000 0.254 308 D C 0.285 176.641 176.300 0.092 0.000 1.192 308 D CA 0.490 54.566 54.000 0.128 0.000 0.885 308 D CB 1.100 41.889 40.800 -0.019 0.000 1.147 308 D HN 0.105 nan 8.370 nan 0.000 0.478 309 Q N 2.354 122.194 119.800 0.067 0.000 2.360 309 Q HA 0.081 4.422 4.340 0.002 0.000 0.202 309 Q C 0.040 175.748 176.000 -0.487 0.000 0.915 309 Q CA 0.271 55.926 55.803 -0.246 0.000 0.943 309 Q CB 0.440 28.918 28.738 -0.433 0.000 1.064 309 Q HN 0.467 nan 8.270 nan 0.000 0.511 310 F N 0.044 120.087 119.950 0.154 0.000 2.879 310 F HA 0.257 4.785 4.527 0.002 0.000 0.354 310 F C 0.901 176.902 175.800 0.336 0.000 1.291 310 F CA -0.213 57.966 58.000 0.299 0.000 1.238 310 F CB 0.939 40.046 39.000 0.179 0.000 1.005 310 F HN -0.075 nan 8.300 nan 0.000 0.508 311 Q N -1.461 118.506 119.800 0.278 0.000 2.189 311 Q HA 0.031 4.373 4.340 0.002 0.000 0.223 311 Q C 1.665 177.680 176.000 0.026 0.000 0.828 311 Q CA 0.204 56.089 55.803 0.135 0.000 0.967 311 Q CB -0.032 28.763 28.738 0.095 0.000 1.139 311 Q HN 0.567 nan 8.270 nan 0.000 0.497 312 H N 1.727 120.780 119.070 -0.029 0.000 2.319 312 H HA -0.149 4.408 4.556 0.002 0.000 0.297 312 H C 2.009 177.220 175.328 -0.194 0.000 1.097 312 H CA 3.102 59.105 56.048 -0.076 0.000 1.285 312 H CB 0.297 30.059 29.762 0.001 0.000 1.368 312 H HN 0.287 nan 8.280 nan 0.000 0.495 313 T N -2.631 111.665 114.554 -0.429 0.000 2.942 313 T HA 0.103 4.455 4.350 0.002 0.000 0.265 313 T C 2.215 176.687 174.700 -0.380 0.000 1.062 313 T CA 0.771 62.552 62.100 -0.531 0.000 1.139 313 T CB -0.553 67.761 68.868 -0.924 0.000 0.883 313 T HN 0.413 nan 8.240 nan 0.000 0.468 314 A N 2.010 124.641 122.820 -0.316 0.000 1.929 314 A HA 0.079 4.400 4.320 0.002 0.000 0.216 314 A C 2.575 180.123 177.584 -0.060 0.000 1.176 314 A CA 0.976 52.966 52.037 -0.078 0.000 0.628 314 A CB -0.564 18.440 19.000 0.007 0.000 0.816 314 A HN 0.470 nan 8.150 nan 0.000 0.444 315 R N -0.104 120.325 120.500 -0.118 0.000 2.080 315 R HA -0.152 4.189 4.340 0.002 0.000 0.236 315 R C 2.158 178.374 176.300 -0.140 0.000 1.137 315 R CA 1.753 57.781 56.100 -0.120 0.000 0.943 315 R CB -0.377 29.839 30.300 -0.140 0.000 0.846 315 R HN 0.660 nan 8.270 nan 0.000 0.431 316 E N 0.281 120.352 120.200 -0.215 0.000 2.085 316 E HA -0.212 4.140 4.350 0.002 0.000 0.194 316 E C 2.079 178.625 176.600 -0.090 0.000 0.994 316 E CA 1.217 57.511 56.400 -0.178 0.000 0.801 316 E CB -0.147 29.407 29.700 -0.243 0.000 0.743 316 E HN 0.384 nan 8.360 nan 0.000 0.453 317 A N 1.052 123.840 122.820 -0.053 0.000 1.877 317 A HA -0.154 4.167 4.320 0.002 0.000 0.216 317 A C 2.540 180.111 177.584 -0.023 0.000 1.186 317 A CA 1.331 53.379 52.037 0.018 0.000 0.620 317 A CB -0.717 18.393 19.000 0.182 0.000 0.822 317 A HN 0.115 nan 8.150 nan 0.000 0.443 318 V N -0.437 119.454 119.914 -0.038 0.000 2.295 318 V HA -0.212 3.909 4.120 0.002 0.000 0.246 318 V C 2.819 178.877 176.094 -0.059 0.000 1.049 318 V CA 2.309 64.573 62.300 -0.060 0.000 1.024 318 V CB -0.850 30.940 31.823 -0.055 0.000 0.648 318 V HN 0.558 nan 8.190 nan 0.000 0.447 319 S N -0.626 115.038 115.700 -0.060 0.000 2.353 319 S HA -0.257 4.214 4.470 0.002 0.000 0.222 319 S C 2.142 176.715 174.600 -0.046 0.000 1.035 319 S CA 2.083 60.249 58.200 -0.056 0.000 1.025 319 S CB -0.397 62.764 63.200 -0.064 0.000 0.902 319 S HN 0.551 nan 8.310 nan 0.000 0.440 320 R N 0.741 121.215 120.500 -0.044 0.000 2.073 320 R HA -0.082 4.260 4.340 0.002 0.000 0.234 320 R C 2.368 178.649 176.300 -0.031 0.000 1.134 320 R CA 1.602 57.682 56.100 -0.033 0.000 0.952 320 R CB -0.128 30.156 30.300 -0.026 0.000 0.850 320 R HN 0.107 nan 8.270 nan 0.000 0.433 321 R N -0.619 119.858 120.500 -0.037 0.000 2.161 321 R HA 0.061 4.403 4.340 0.002 0.000 0.213 321 R C 0.881 177.155 176.300 -0.044 0.000 1.055 321 R CA 1.400 57.475 56.100 -0.041 0.000 0.996 321 R CB 0.003 30.272 30.300 -0.051 0.000 0.901 321 R HN 0.504 nan 8.270 nan 0.000 0.456 322 G N 0.467 109.239 108.800 -0.047 0.000 2.131 322 G HA2 -0.234 3.727 3.960 0.002 0.000 0.223 322 G HA3 -0.234 3.727 3.960 0.002 0.000 0.223 322 G C 0.655 175.527 174.900 -0.047 0.000 0.990 322 G CA 0.390 45.464 45.100 -0.043 0.000 0.671 322 G HN 0.501 nan 8.290 nan 0.000 0.521 323 I N -1.814 118.722 120.570 -0.057 0.000 3.444 323 I HA 0.537 4.708 4.170 0.002 0.000 0.287 323 I C 0.946 177.031 176.117 -0.054 0.000 1.302 323 I CA 0.662 61.925 61.300 -0.061 0.000 1.368 323 I CB 0.081 38.030 38.000 -0.084 0.000 1.048 323 I HN 0.600 nan 8.210 nan 0.000 0.487 324 G N 0.802 109.569 108.800 -0.054 0.000 2.489 324 G HA2 0.542 4.503 3.960 0.002 0.000 0.305 324 G HA3 0.542 4.503 3.960 0.002 0.000 0.305 324 G C -1.629 173.235 174.900 -0.061 0.000 1.311 324 G CA -0.871 44.196 45.100 -0.056 0.000 0.813 324 G HN 0.076 nan 8.290 nan 0.000 0.480 325 L N -0.041 121.139 121.223 -0.072 0.000 2.322 325 L HA 0.807 5.148 4.340 0.002 0.000 0.269 325 L C 0.042 176.856 176.870 -0.094 0.000 1.012 325 L CA -1.339 53.457 54.840 -0.073 0.000 0.815 325 L CB 2.005 44.024 42.059 -0.065 0.000 1.295 325 L HN 0.604 nan 8.230 nan 0.000 0.438 326 V N -1.406 118.457 119.914 -0.084 0.000 2.604 326 V HA 0.864 4.986 4.120 0.002 0.000 0.305 326 V C -0.484 175.558 176.094 -0.086 0.000 1.043 326 V CA -0.107 62.137 62.300 -0.094 0.000 0.888 326 V CB 1.581 33.354 31.823 -0.083 0.000 0.995 326 V HN 0.820 nan 8.190 nan 0.000 0.429 327 S N 2.061 117.700 115.700 -0.101 0.000 3.070 327 S HA 0.771 5.242 4.470 0.002 0.000 0.320 327 S C -0.523 174.021 174.600 -0.094 0.000 1.215 327 S CA 0.198 58.345 58.200 -0.087 0.000 0.956 327 S CB 1.915 65.062 63.200 -0.088 0.000 1.337 327 S HN 1.376 nan 8.310 nan 0.000 0.639 328 T N 0.252 114.754 114.554 -0.087 0.000 2.907 328 T HA 0.486 4.838 4.350 0.002 0.000 0.292 328 T C 1.285 175.928 174.700 -0.095 0.000 1.043 328 T CA 0.261 62.306 62.100 -0.091 0.000 1.003 328 T CB 1.233 70.061 68.868 -0.066 0.000 1.084 328 T HN 0.741 nan 8.240 nan 0.000 0.483 329 S N 1.982 117.622 115.700 -0.099 0.000 2.400 329 S HA -0.153 4.318 4.470 0.002 0.000 0.232 329 S C 1.452 176.027 174.600 -0.042 0.000 1.025 329 S CA 1.785 59.939 58.200 -0.077 0.000 0.993 329 S CB -0.477 62.731 63.200 0.012 0.000 0.808 329 S HN 0.892 nan 8.310 nan 0.000 0.478 330 D N 1.029 121.408 120.400 -0.036 0.000 2.347 330 D HA -0.042 4.599 4.640 0.002 0.000 0.215 330 D C 1.304 177.586 176.300 -0.030 0.000 0.976 330 D CA 0.601 54.587 54.000 -0.024 0.000 0.884 330 D CB -0.232 40.558 40.800 -0.018 0.000 0.915 330 D HN 0.463 nan 8.370 nan 0.000 0.526 331 K N 0.365 120.741 120.400 -0.040 0.000 2.387 331 K HA 0.179 4.501 4.320 0.002 0.000 0.203 331 K C -0.057 176.517 176.600 -0.043 0.000 1.030 331 K CA -0.208 56.056 56.287 -0.038 0.000 1.099 331 K CB 1.974 34.452 32.500 -0.036 0.000 0.863 331 K HN -0.026 nan 8.250 nan 0.000 0.529 332 V N 3.980 123.863 119.914 -0.053 0.000 2.521 332 V HA -0.035 4.086 4.120 0.002 0.000 0.286 332 V C 0.121 176.189 176.094 -0.045 0.000 1.034 332 V CA 0.012 62.279 62.300 -0.055 0.000 1.045 332 V CB 0.479 32.259 31.823 -0.071 0.000 0.974 332 V HN 0.332 nan 8.190 nan 0.000 0.480 333 D N 4.178 124.557 120.400 -0.036 0.000 2.553 333 D HA 0.589 5.230 4.640 0.002 0.000 0.249 333 D C 0.795 177.082 176.300 -0.022 0.000 1.062 333 D CA -0.191 53.791 54.000 -0.030 0.000 1.085 333 D CB 1.718 42.504 40.800 -0.023 0.000 1.350 333 D HN 0.379 nan 8.370 nan 0.000 0.575 334 A N 0.062 122.871 122.820 -0.017 0.000 1.902 334 A HA -0.180 4.142 4.320 0.002 0.000 0.217 334 A C 1.596 179.189 177.584 0.014 0.000 1.181 334 A CA 1.751 53.788 52.037 0.001 0.000 0.623 334 A CB -0.830 18.171 19.000 0.001 0.000 0.818 334 A HN 0.600 nan 8.150 nan 0.000 0.443 335 D N -0.448 119.955 120.400 0.004 0.000 2.123 335 D HA -0.149 4.493 4.640 0.002 0.000 0.196 335 D C 1.831 178.133 176.300 0.003 0.000 0.992 335 D CA 1.345 55.347 54.000 0.004 0.000 0.833 335 D CB -0.358 40.440 40.800 -0.003 0.000 0.954 335 D HN 0.343 nan 8.370 nan 0.000 0.455 336 L N 0.634 121.855 121.223 -0.004 0.000 2.046 336 L HA -0.111 4.231 4.340 0.002 0.000 0.208 336 L C 2.251 179.124 176.870 0.006 0.000 1.077 336 L CA 1.254 56.089 54.840 -0.009 0.000 0.747 336 L CB -0.378 41.667 42.059 -0.024 0.000 0.896 336 L HN 0.024 nan 8.230 nan 0.000 0.432 337 L N -1.201 120.039 121.223 0.028 0.000 2.093 337 L HA -0.178 4.163 4.340 0.002 0.000 0.208 337 L C 2.712 179.625 176.870 0.071 0.000 1.085 337 L CA 1.084 55.971 54.840 0.078 0.000 0.755 337 L CB -0.535 41.616 42.059 0.153 0.000 0.904 337 L HN 0.212 nan 8.230 nan 0.000 0.435 338 R N -0.140 120.392 120.500 0.053 0.000 2.081 338 R HA -0.192 4.149 4.340 0.002 0.000 0.235 338 R C 2.427 178.733 176.300 0.011 0.000 1.131 338 R CA 1.468 57.587 56.100 0.033 0.000 0.960 338 R CB -0.311 30.005 30.300 0.026 0.000 0.856 338 R HN 0.274 nan 8.270 nan 0.000 0.436 339 R N 0.864 121.367 120.500 0.005 0.000 2.073 339 R HA -0.147 4.194 4.340 0.002 0.000 0.234 339 R C 2.241 178.534 176.300 -0.011 0.000 1.134 339 R CA 1.249 57.345 56.100 -0.007 0.000 0.952 339 R CB -0.390 29.903 30.300 -0.012 0.000 0.850 339 R HN 0.123 nan 8.270 nan 0.000 0.433 340 L N 1.042 122.260 121.223 -0.008 0.000 2.021 340 L HA -0.185 4.157 4.340 0.002 0.000 0.215 340 L C 1.948 178.807 176.870 -0.019 0.000 1.074 340 L CA 1.850 56.682 54.840 -0.014 0.000 0.760 340 L CB -0.338 41.719 42.059 -0.005 0.000 0.889 340 L HN 0.313 nan 8.230 nan 0.000 0.433 341 I N -1.104 119.456 120.570 -0.017 0.000 2.353 341 I HA -0.102 4.070 4.170 0.002 0.000 0.248 341 I C 2.180 178.279 176.117 -0.030 0.000 1.119 341 I CA 1.260 62.540 61.300 -0.034 0.000 1.417 341 I CB -0.589 37.384 38.000 -0.044 0.000 1.078 341 I HN 0.415 nan 8.210 nan 0.000 0.421 342 G N -1.357 107.431 108.800 -0.021 0.000 2.850 342 G HA2 -0.058 3.904 3.960 0.002 0.000 0.211 342 G HA3 -0.058 3.904 3.960 0.002 0.000 0.211 342 G C 0.355 175.245 174.900 -0.018 0.000 1.124 342 G CA -0.158 44.931 45.100 -0.019 0.000 0.769 342 G HN 0.142 nan 8.290 nan 0.000 0.535 343 D N 1.240 121.629 120.400 -0.018 0.000 2.342 343 D HA 0.086 4.728 4.640 0.002 0.000 0.260 343 D C 1.105 177.393 176.300 -0.020 0.000 1.278 343 D CA -0.171 53.818 54.000 -0.018 0.000 0.910 343 D CB 0.823 41.611 40.800 -0.020 0.000 1.079 343 D HN 0.031 nan 8.370 nan 0.000 0.496 344 E N 1.752 121.940 120.200 -0.019 0.000 2.153 344 E HA -0.156 4.195 4.350 0.002 0.000 0.194 344 E C 1.947 178.535 176.600 -0.020 0.000 0.988 344 E CA 0.694 57.082 56.400 -0.019 0.000 0.811 344 E CB -0.213 29.477 29.700 -0.017 0.000 0.746 344 E HN 0.627 nan 8.360 nan 0.000 0.466 345 S N 0.840 116.528 115.700 -0.021 0.000 2.382 345 S HA -0.126 4.345 4.470 0.002 0.000 0.228 345 S C 2.191 176.775 174.600 -0.026 0.000 1.027 345 S CA 0.864 59.050 58.200 -0.022 0.000 0.991 345 S CB -0.621 62.566 63.200 -0.022 0.000 0.823 345 S HN 0.225 nan 8.310 nan 0.000 0.469 346 L N 0.556 121.763 121.223 -0.027 0.000 2.083 346 L HA -0.019 4.322 4.340 0.002 0.000 0.209 346 L C 3.175 180.027 176.870 -0.030 0.000 1.083 346 L CA 1.688 56.510 54.840 -0.031 0.000 0.752 346 L CB -0.513 41.527 42.059 -0.031 0.000 0.899 346 L HN 0.322 nan 8.230 nan 0.000 0.433 347 R N -0.405 120.079 120.500 -0.026 0.000 2.093 347 R HA -0.088 4.253 4.340 0.002 0.000 0.224 347 R C 2.336 178.622 176.300 -0.024 0.000 1.101 347 R CA 1.556 57.641 56.100 -0.025 0.000 0.979 347 R CB -0.088 30.198 30.300 -0.023 0.000 0.877 347 R HN 0.254 nan 8.270 nan 0.000 0.441 348 T N 0.620 115.160 114.554 -0.024 0.000 2.708 348 T HA -0.142 4.209 4.350 0.002 0.000 0.266 348 T C 1.829 176.513 174.700 -0.027 0.000 1.037 348 T CA 1.424 63.510 62.100 -0.023 0.000 1.146 348 T CB -0.313 68.542 68.868 -0.022 0.000 0.865 348 T HN 0.393 nan 8.240 nan 0.000 0.435 349 A N 1.514 124.315 122.820 -0.031 0.000 1.902 349 A HA 0.139 4.461 4.320 0.002 0.000 0.217 349 A C 2.663 180.222 177.584 -0.042 0.000 1.181 349 A CA 1.892 53.907 52.037 -0.037 0.000 0.623 349 A CB -1.154 17.822 19.000 -0.040 0.000 0.818 349 A HN 0.515 nan 8.150 nan 0.000 0.443 350 A N -0.541 122.255 122.820 -0.039 0.000 1.902 350 A HA -0.163 4.158 4.320 0.002 0.000 0.217 350 A C 2.261 179.826 177.584 -0.032 0.000 1.181 350 A CA 1.727 53.739 52.037 -0.040 0.000 0.623 350 A CB -0.478 18.502 19.000 -0.033 0.000 0.818 350 A HN 0.541 nan 8.150 nan 0.000 0.443 351 R N -0.259 120.226 120.500 -0.025 0.000 2.075 351 R HA -0.138 4.204 4.340 0.002 0.000 0.232 351 R C 2.059 178.346 176.300 -0.022 0.000 1.126 351 R CA 1.678 57.767 56.100 -0.019 0.000 0.963 351 R CB -0.226 30.064 30.300 -0.016 0.000 0.858 351 R HN 0.700 nan 8.270 nan 0.000 0.435 352 E N -0.486 119.698 120.200 -0.027 0.000 2.077 352 E HA -0.155 4.196 4.350 0.002 0.000 0.193 352 E C 1.918 178.497 176.600 -0.035 0.000 0.989 352 E CA 1.482 57.864 56.400 -0.029 0.000 0.800 352 E CB 0.103 29.784 29.700 -0.032 0.000 0.746 352 E HN 0.159 nan 8.360 nan 0.000 0.452 353 V N 1.184 121.071 119.914 -0.044 0.000 2.548 353 V HA -0.202 3.919 4.120 0.002 0.000 0.249 353 V C 2.370 178.439 176.094 -0.040 0.000 1.055 353 V CA 1.514 63.781 62.300 -0.055 0.000 1.065 353 V CB -0.491 31.283 31.823 -0.082 0.000 0.681 353 V HN 0.197 nan 8.190 nan 0.000 0.462 354 R N 0.202 120.685 120.500 -0.028 0.000 2.083 354 R HA -0.183 4.159 4.340 0.002 0.000 0.237 354 R C 2.355 178.656 176.300 0.001 0.000 1.137 354 R CA 1.725 57.822 56.100 -0.006 0.000 0.951 354 R CB -0.154 30.147 30.300 0.001 0.000 0.851 354 R HN 0.451 nan 8.270 nan 0.000 0.434 355 E N 0.607 120.802 120.200 -0.008 0.000 2.085 355 E HA -0.238 4.113 4.350 0.002 0.000 0.194 355 E C 1.776 178.371 176.600 -0.009 0.000 0.994 355 E CA 1.180 57.576 56.400 -0.006 0.000 0.801 355 E CB -0.226 29.467 29.700 -0.012 0.000 0.743 355 E HN 0.502 nan 8.360 nan 0.000 0.453 356 E N 0.211 120.399 120.200 -0.021 0.000 2.049 356 E HA -0.207 4.144 4.350 0.002 0.000 0.198 356 E C 2.039 178.632 176.600 -0.011 0.000 1.007 356 E CA 1.216 57.597 56.400 -0.032 0.000 0.809 356 E CB -0.066 29.602 29.700 -0.054 0.000 0.749 356 E HN 0.101 nan 8.360 nan 0.000 0.450 357 M N 0.604 120.208 119.600 0.007 0.000 2.132 357 M HA -0.114 4.367 4.480 0.002 0.000 0.263 357 M C 2.161 178.501 176.300 0.068 0.000 1.065 357 M CA 1.141 56.471 55.300 0.051 0.000 1.122 357 M CB -0.246 32.391 32.600 0.062 0.000 1.365 357 M HN 0.090 nan 8.290 nan 0.000 0.411 358 V N 1.201 121.144 119.914 0.048 0.000 2.515 358 V HA -0.191 3.931 4.120 0.002 0.000 0.250 358 V C 2.662 178.777 176.094 0.035 0.000 1.058 358 V CA 1.590 63.917 62.300 0.045 0.000 1.064 358 V CB -1.376 30.467 31.823 0.032 0.000 0.675 358 V HN 0.615 nan 8.190 nan 0.000 0.461 359 A N -0.536 122.298 122.820 0.023 0.000 2.121 359 A HA 0.066 4.387 4.320 0.002 0.000 0.218 359 A C 1.156 178.755 177.584 0.026 0.000 1.154 359 A CA 0.583 52.629 52.037 0.015 0.000 0.679 359 A CB -0.458 18.542 19.000 -0.000 0.000 0.795 359 A HN 0.506 nan 8.150 nan 0.000 0.458 360 L N 0.039 121.291 121.223 0.048 0.000 2.464 360 L HA 0.212 4.554 4.340 0.002 0.000 0.264 360 L C -2.179 174.736 176.870 0.075 0.000 1.199 360 L CA -2.025 52.861 54.840 0.078 0.000 0.818 360 L CB -0.043 42.097 42.059 0.136 0.000 1.102 360 L HN -0.002 nan 8.230 nan 0.000 0.473 361 P HA -0.009 nan 4.420 nan 0.000 0.265 361 P C -0.369 176.977 177.300 0.078 0.000 1.187 361 P CA -0.136 63.002 63.100 0.062 0.000 0.766 361 P CB 0.320 32.056 31.700 0.060 0.000 0.820 362 T N 1.328 115.915 114.554 0.054 0.000 2.766 362 T HA 0.137 4.489 4.350 0.002 0.000 0.295 362 T C -1.766 172.966 174.700 0.053 0.000 1.024 362 T CA -1.366 60.763 62.100 0.049 0.000 1.018 362 T CB -0.319 68.566 68.868 0.028 0.000 1.002 362 T HN 0.177 nan 8.240 nan 0.000 0.532 363 P HA -0.110 nan 4.420 nan 0.000 0.216 363 P C 1.755 179.058 177.300 0.005 0.000 1.153 363 P CA 1.773 64.891 63.100 0.029 0.000 0.858 363 P CB -0.379 31.325 31.700 0.007 0.000 0.789 364 A N -0.054 122.769 122.820 0.005 0.000 1.865 364 A HA -0.278 4.043 4.320 0.002 0.000 0.217 364 A C 2.375 179.949 177.584 -0.017 0.000 1.191 364 A CA 2.312 54.342 52.037 -0.012 0.000 0.623 364 A CB -1.477 17.524 19.000 0.001 0.000 0.826 364 A HN 0.175 nan 8.150 nan 0.000 0.444 365 E N -0.424 119.780 120.200 0.007 0.000 2.106 365 E HA -0.107 4.244 4.350 0.002 0.000 0.192 365 E C 1.956 178.578 176.600 0.036 0.000 0.984 365 E CA 1.973 58.382 56.400 0.015 0.000 0.806 365 E CB -0.625 29.086 29.700 0.018 0.000 0.750 365 E HN 0.512 nan 8.360 nan 0.000 0.458 366 T N -0.178 114.415 114.554 0.066 0.000 2.777 366 T HA -0.099 4.253 4.350 0.002 0.000 0.266 366 T C 1.855 176.618 174.700 0.105 0.000 1.040 366 T CA 1.302 63.497 62.100 0.159 0.000 1.141 366 T CB -0.297 68.687 68.868 0.192 0.000 0.868 366 T HN 0.021 nan 8.240 nan 0.000 0.444 367 V N 1.487 121.349 119.914 -0.086 0.000 2.343 367 V HA -0.169 3.952 4.120 0.002 0.000 0.247 367 V C 2.637 178.617 176.094 -0.189 0.000 1.051 367 V CA 1.675 63.752 62.300 -0.372 0.000 1.036 367 V CB -0.594 30.842 31.823 -0.645 0.000 0.654 367 V HN 0.365 nan 8.190 nan 0.000 0.451 368 R N -0.022 120.437 120.500 -0.069 0.000 2.091 368 R HA -0.168 4.174 4.340 0.002 0.000 0.238 368 R C 2.532 178.866 176.300 0.056 0.000 1.136 368 R CA 1.669 57.769 56.100 -0.000 0.000 0.959 368 R CB -0.145 30.161 30.300 0.009 0.000 0.856 368 R HN 0.451 nan 8.270 nan 0.000 0.437 369 R N -0.115 120.445 120.500 0.101 0.000 2.115 369 R HA -0.038 4.303 4.340 0.002 0.000 0.230 369 R C 2.315 178.821 176.300 0.343 0.000 1.111 369 R CA 1.303 57.502 56.100 0.166 0.000 0.976 369 R CB -0.214 30.136 30.300 0.083 0.000 0.870 369 R HN 0.280 nan 8.270 nan 0.000 0.445 370 I N 0.089 120.863 120.570 0.339 0.000 2.179 370 I HA -0.260 3.912 4.170 0.002 0.000 0.242 370 I C 2.190 178.406 176.117 0.164 0.000 1.088 370 I CA 1.157 62.602 61.300 0.241 0.000 1.357 370 I CB -0.237 37.846 38.000 0.137 0.000 1.051 370 I HN -0.043 nan 8.210 nan 0.000 0.409 371 V N 0.662 120.647 119.914 0.118 0.000 2.295 371 V HA -0.310 3.812 4.120 0.002 0.000 0.246 371 V C 2.486 178.637 176.094 0.095 0.000 1.049 371 V CA 2.159 64.515 62.300 0.092 0.000 1.024 371 V CB -0.677 31.193 31.823 0.079 0.000 0.648 371 V HN 0.493 nan 8.190 nan 0.000 0.447 372 E N 0.129 120.390 120.200 0.103 0.000 2.051 372 E HA -0.215 4.136 4.350 0.002 0.000 0.192 372 E C 2.376 179.034 176.600 0.097 0.000 0.991 372 E CA 1.439 57.892 56.400 0.088 0.000 0.799 372 E CB 0.047 29.792 29.700 0.074 0.000 0.748 372 E HN 0.545 nan 8.360 nan 0.000 0.449 373 R N -0.867 119.721 120.500 0.146 0.000 2.254 373 R HA 0.129 4.470 4.340 0.002 0.000 0.193 373 R C 1.872 178.266 176.300 0.157 0.000 0.929 373 R CA -0.007 56.189 56.100 0.160 0.000 1.038 373 R CB 0.509 30.944 30.300 0.223 0.000 1.009 373 R HN 0.199 nan 8.270 nan 0.000 0.512 374 I N -0.179 120.478 120.570 0.144 0.000 3.196 374 I HA 0.119 4.290 4.170 0.002 0.000 0.248 374 I C 1.045 177.186 176.117 0.039 0.000 1.105 374 I CA 0.743 62.090 61.300 0.078 0.000 1.482 374 I CB -0.874 37.141 38.000 0.024 0.000 1.400 374 I HN -0.142 nan 8.210 nan 0.000 0.464 375 S N 0.000 115.722 115.700 0.037 0.000 2.498 375 S HA 0.000 4.471 4.470 0.002 0.000 0.327 375 S CA 0.000 58.207 58.200 0.012 0.000 1.107 375 S CB 0.000 63.196 63.200 -0.006 0.000 0.593 375 S HN 0.000 nan 8.310 nan 0.000 0.517