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 1mpo_1_A DATA FIRST_RESID 1 DATA SEQUENCE VDFHGYARSG IGWTGSGGEQ QcFQTTGAQS KYRLGNEcET YAELKLGQEV DATA SEQUENCE WKEGDKSFYF DTNVAYSVAQ QNDWEATDPA FREANVQGKN LIEWLPGSTI DATA SEQUENCE WAGKRFYQRH DVHMIDFYYW DISGPGAGLE NIDVGFGKLS LAATRSSEAG DATA SEQUENCE GSSSFASNNI YDYTNETAND VFDVRLAQME INPGGTLELG VDYGRANLRD DATA SEQUENCE NYRLVDGASK DGWLFTAEHT QSVLKGFNKF VVQYATDSMT SQGKGLSQGS DATA SEQUENCE GVAFDNEKFA YNINNNGHML RILDHGAISM GDNWDMMYVG MYQDINWDND DATA SEQUENCE NGTKWWTVGI RPMYKWTPIM STVMEIGYDN VESQRTGDKN NQYKITLAQQ DATA SEQUENCE WQAGDSIWSR PAIRVFATYA KWDEKWGYDY TGNADNNANF GKAVPADFNG DATA SEQUENCE GSFGRGDSDE WTFGAQMEIW W VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.149 176.094 0.091 0.000 1.182 1 V CA 0.000 62.345 62.300 0.075 0.000 1.235 1 V CB 0.000 31.855 31.823 0.053 0.000 1.184 2 D N 4.350 124.814 120.400 0.107 0.000 2.210 2 D HA 0.495 5.135 4.640 0.001 0.000 0.249 2 D C -0.985 175.350 176.300 0.057 0.000 1.062 2 D CA 0.304 54.344 54.000 0.067 0.000 0.891 2 D CB 1.712 42.603 40.800 0.152 0.000 1.186 2 D HN 0.446 nan 8.370 nan 0.000 0.432 3 F N 3.666 123.453 119.950 -0.272 0.000 2.460 3 F HA 0.311 4.838 4.527 0.001 0.000 0.341 3 F C -0.976 174.684 175.800 -0.234 0.000 1.130 3 F CA -0.452 57.491 58.000 -0.094 0.000 0.962 3 F CB 0.657 39.710 39.000 0.087 0.000 1.171 3 F HN 0.243 nan 8.300 nan 0.000 0.436 4 H N 2.670 121.662 119.070 -0.131 0.000 2.908 4 H HA 0.900 5.457 4.556 0.001 0.000 0.350 4 H C 0.109 174.692 175.328 -1.241 0.000 1.217 4 H CA -0.511 55.067 56.048 -0.784 0.000 1.168 4 H CB 1.722 31.229 29.762 -0.424 0.000 1.891 4 H HN 0.826 nan 8.280 nan 0.000 0.566 5 G N -0.726 107.000 108.800 -1.791 0.000 2.399 5 G HA2 0.297 4.258 3.960 0.001 0.000 0.256 5 G HA3 0.297 4.258 3.960 0.001 0.000 0.256 5 G C -2.287 171.935 174.900 -1.131 0.000 1.236 5 G CA -0.443 43.743 45.100 -1.523 0.000 0.914 5 G HN 0.566 nan 8.290 nan 0.000 0.482 6 Y N -0.197 119.751 120.300 -0.587 0.000 2.604 6 Y HA 0.729 5.280 4.550 0.001 0.000 0.331 6 Y C -0.991 175.145 175.900 0.393 0.000 1.158 6 Y CA 0.073 58.248 58.100 0.125 0.000 1.056 6 Y CB 1.505 40.060 38.460 0.158 0.000 1.330 6 Y HN 1.917 nan 8.280 nan 0.000 0.457 7 A N 4.578 127.097 122.820 -0.503 0.000 2.599 7 A HA 0.866 5.186 4.320 0.001 0.000 0.294 7 A C -1.867 175.580 177.584 -0.228 0.000 1.055 7 A CA -0.742 51.234 52.037 -0.101 0.000 0.683 7 A CB 1.730 20.807 19.000 0.128 0.000 1.278 7 A HN 1.053 nan 8.150 nan 0.000 0.412 8 R N -0.115 120.418 120.500 0.055 0.000 2.566 8 R HA 0.860 5.200 4.340 0.001 0.000 0.271 8 R C -1.063 175.311 176.300 0.124 0.000 1.071 8 R CA -0.101 56.065 56.100 0.110 0.000 0.915 8 R CB 1.742 32.193 30.300 0.251 0.000 1.228 8 R HN 1.435 nan 8.270 nan 0.000 0.449 9 S N 1.009 116.762 115.700 0.088 0.000 2.547 9 S HA 0.877 5.348 4.470 0.001 0.000 0.270 9 S C -1.093 173.546 174.600 0.065 0.000 1.150 9 S CA 0.141 58.382 58.200 0.067 0.000 0.850 9 S CB 1.855 65.077 63.200 0.036 0.000 1.118 9 S HN 1.243 nan 8.310 nan 0.000 0.461 10 G N 1.480 110.310 108.800 0.049 0.000 2.427 10 G HA2 0.580 4.540 3.960 0.001 0.000 0.306 10 G HA3 0.580 4.540 3.960 0.001 0.000 0.306 10 G C -2.046 172.851 174.900 -0.004 0.000 1.280 10 G CA -0.114 45.023 45.100 0.061 0.000 0.837 10 G HN 1.279 nan 8.290 nan 0.000 0.482 11 I N -0.274 120.278 120.570 -0.029 0.000 2.656 11 I HA 0.775 4.946 4.170 0.001 0.000 0.292 11 I C -0.081 175.845 176.117 -0.317 0.000 1.144 11 I CA -0.449 60.710 61.300 -0.235 0.000 1.038 11 I CB 1.993 39.818 38.000 -0.291 0.000 1.244 11 I HN 1.093 nan 8.210 nan 0.000 0.420 12 G N 5.748 114.226 108.800 -0.537 0.000 2.725 12 G HA2 0.599 4.559 3.960 0.001 0.000 0.288 12 G HA3 0.599 4.559 3.960 0.001 0.000 0.288 12 G C -2.319 172.097 174.900 -0.807 0.000 1.399 12 G CA -0.519 44.325 45.100 -0.426 0.000 0.859 12 G HN 0.561 nan 8.290 nan 0.000 0.479 13 W N -0.139 120.846 121.300 -0.525 0.000 3.032 13 W HA 0.472 5.133 4.660 0.001 0.000 0.335 13 W C -0.769 175.306 176.519 -0.741 0.000 1.154 13 W CA -0.562 56.360 57.345 -0.704 0.000 1.204 13 W CB 2.482 31.307 29.460 -1.058 0.000 1.416 13 W HN 0.407 nan 8.180 nan 0.000 0.521 14 T N 1.495 115.900 114.554 -0.248 0.000 2.799 14 T HA 0.228 4.578 4.350 0.001 0.000 0.286 14 T C 1.289 175.760 174.700 -0.383 0.000 0.973 14 T CA 0.153 62.106 62.100 -0.245 0.000 1.035 14 T CB 1.674 70.484 68.868 -0.098 0.000 0.932 14 T HN 0.622 nan 8.240 nan 0.000 0.469 15 G N 2.427 110.768 108.800 -0.766 0.000 2.599 15 G HA2 -0.292 3.669 3.960 0.001 0.000 0.219 15 G HA3 -0.292 3.669 3.960 0.001 0.000 0.219 15 G C 1.857 176.535 174.900 -0.369 0.000 1.193 15 G CA 1.464 45.740 45.100 -1.373 0.000 0.778 15 G HN 0.773 nan 8.290 nan 0.000 0.589 16 S N -0.196 115.406 115.700 -0.164 0.000 2.507 16 S HA 0.406 4.876 4.470 0.001 0.000 0.235 16 S C 0.977 175.591 174.600 0.024 0.000 0.988 16 S CA 1.020 59.232 58.200 0.020 0.000 0.944 16 S CB -0.210 63.031 63.200 0.068 0.000 0.762 16 S HN 1.735 nan 8.310 nan 0.000 0.526 17 G N -1.459 107.336 108.800 -0.010 0.000 2.307 17 G HA2 0.516 4.476 3.960 0.001 0.000 0.348 17 G HA3 0.516 4.476 3.960 0.001 0.000 0.348 17 G C 0.063 174.969 174.900 0.010 0.000 1.603 17 G CA -0.327 44.786 45.100 0.021 0.000 0.961 17 G HN 1.596 nan 8.290 nan 0.000 0.686 18 G N 0.203 109.023 108.800 0.032 0.000 2.752 18 G HA2 0.277 4.238 3.960 0.001 0.000 0.234 18 G HA3 0.277 4.238 3.960 0.001 0.000 0.234 18 G C 0.246 175.117 174.900 -0.049 0.000 1.367 18 G CA 0.845 45.949 45.100 0.006 0.000 0.879 18 G HN 2.055 nan 8.290 nan 0.000 0.563 19 E N 0.126 120.263 120.200 -0.106 0.000 2.442 19 E HA 0.365 4.715 4.350 0.001 0.000 0.260 19 E C 0.967 177.451 176.600 -0.193 0.000 1.148 19 E CA 0.181 56.456 56.400 -0.208 0.000 0.976 19 E CB 0.357 29.936 29.700 -0.200 0.000 0.967 19 E HN 0.792 nan 8.360 nan 0.000 0.454 20 Q N 0.685 120.337 119.800 -0.247 0.000 2.315 20 Q HA -0.087 4.254 4.340 0.001 0.000 0.289 20 Q C -0.704 175.184 176.000 -0.185 0.000 1.044 20 Q CA 0.434 56.124 55.803 -0.188 0.000 0.920 20 Q CB 0.515 29.168 28.738 -0.142 0.000 1.214 20 Q HN 0.479 nan 8.270 nan 0.000 0.392 21 Q N 1.793 121.455 119.800 -0.231 0.000 2.301 21 Q HA 0.491 4.831 4.340 0.001 0.000 0.267 21 Q C -1.322 174.246 176.000 -0.720 0.000 1.035 21 Q CA -0.814 54.768 55.803 -0.370 0.000 0.856 21 Q CB 2.260 30.811 28.738 -0.311 0.000 1.337 21 Q HN 0.699 nan 8.270 nan 0.000 0.450 22 c N 1.347 119.523 118.600 -0.706 0.000 2.435 22 c HA 0.645 5.215 4.570 0.001 0.000 0.333 22 c C -1.082 172.499 174.090 -0.848 0.000 1.202 22 c CA -0.691 55.181 56.329 -0.760 0.000 1.830 22 c CB 0.154 42.455 42.510 -0.348 0.000 2.326 22 c HN 0.631 nan 8.230 nan 0.000 0.507 23 F N 2.006 121.897 119.950 -0.098 0.000 2.449 23 F HA 0.590 5.117 4.527 0.001 0.000 0.342 23 F C 0.156 175.860 175.800 -0.160 0.000 1.127 23 F CA -0.426 57.461 58.000 -0.189 0.000 0.975 23 F CB 0.863 39.774 39.000 -0.149 0.000 1.146 23 F HN 0.497 nan 8.300 nan 0.000 0.444 24 Q N 1.791 121.546 119.800 -0.074 0.000 2.285 24 Q HA 0.366 4.706 4.340 0.001 0.000 0.269 24 Q C -0.924 174.975 176.000 -0.167 0.000 1.030 24 Q CA -0.590 55.159 55.803 -0.091 0.000 0.788 24 Q CB 2.022 30.690 28.738 -0.116 0.000 1.266 24 Q HN 0.669 nan 8.270 nan 0.000 0.438 25 T N 3.020 117.494 114.554 -0.134 0.000 2.871 25 T HA 0.034 4.384 4.350 0.001 0.000 0.296 25 T C -0.160 174.382 174.700 -0.262 0.000 0.998 25 T CA 0.512 62.501 62.100 -0.186 0.000 1.162 25 T CB 0.350 69.150 68.868 -0.113 0.000 0.947 25 T HN 0.523 nan 8.240 nan 0.000 0.536 26 T N 3.931 118.295 114.554 -0.318 0.000 2.829 26 T HA 0.376 4.726 4.350 0.001 0.000 0.293 26 T C 1.533 175.969 174.700 -0.439 0.000 0.970 26 T CA 0.862 62.750 62.100 -0.355 0.000 1.168 26 T CB 0.260 68.863 68.868 -0.442 0.000 0.911 26 T HN 0.945 nan 8.240 nan 0.000 0.535 27 G N 2.539 111.197 108.800 -0.237 0.000 2.258 27 G HA2 -0.115 3.845 3.960 0.001 0.000 0.233 27 G HA3 -0.115 3.845 3.960 0.001 0.000 0.233 27 G C 0.337 174.974 174.900 -0.439 0.000 1.006 27 G CA -0.123 44.900 45.100 -0.128 0.000 0.620 27 G HN 1.142 nan 8.290 nan 0.000 0.511 28 A N 0.240 122.686 122.820 -0.624 0.000 2.388 28 A HA 0.668 4.989 4.320 0.001 0.000 0.257 28 A C 0.982 177.964 177.584 -1.003 0.000 1.095 28 A CA 0.784 52.084 52.037 -1.229 0.000 0.791 28 A CB 0.376 18.983 19.000 -0.654 0.000 1.029 28 A HN 0.450 nan 8.150 nan 0.000 0.489 29 Q N 0.390 119.297 119.800 -1.488 0.000 2.365 29 Q HA 0.119 4.460 4.340 0.001 0.000 0.203 29 Q C 0.117 176.000 176.000 -0.194 0.000 0.929 29 Q CA 0.605 56.054 55.803 -0.590 0.000 0.948 29 Q CB 0.028 28.583 28.738 -0.305 0.000 1.043 29 Q HN 0.883 nan 8.270 nan 0.000 0.505 30 S N -0.226 115.385 115.700 -0.149 0.000 2.672 30 S HA 0.635 5.106 4.470 0.001 0.000 0.271 30 S C -1.335 173.255 174.600 -0.017 0.000 1.171 30 S CA -1.136 57.071 58.200 0.011 0.000 0.817 30 S CB 1.867 65.118 63.200 0.085 0.000 1.150 30 S HN 0.177 nan 8.310 nan 0.000 0.478 31 K N -0.495 119.867 120.400 -0.064 0.000 2.509 31 K HA 0.529 4.849 4.320 0.001 0.000 0.266 31 K C -1.951 174.551 176.600 -0.164 0.000 0.987 31 K CA -0.979 55.285 56.287 -0.038 0.000 0.868 31 K CB 0.888 33.390 32.500 0.003 0.000 1.421 31 K HN 0.586 nan 8.250 nan 0.000 0.444 32 Y N 2.555 122.915 120.300 0.099 0.000 2.480 32 Y HA 0.082 4.632 4.550 0.001 0.000 0.341 32 Y C 1.818 177.760 175.900 0.069 0.000 1.031 32 Y CA -0.071 58.087 58.100 0.097 0.000 1.295 32 Y CB 1.024 39.565 38.460 0.135 0.000 1.162 32 Y HN 0.639 nan 8.280 nan 0.000 0.523 33 R N 2.721 123.250 120.500 0.049 0.000 2.148 33 R HA -0.052 4.289 4.340 0.001 0.000 0.227 33 R C 0.422 176.741 176.300 0.032 0.000 1.103 33 R CA 0.521 56.636 56.100 0.024 0.000 0.983 33 R CB -0.080 30.201 30.300 -0.030 0.000 0.874 33 R HN 0.489 nan 8.270 nan 0.000 0.451 34 L N 2.928 124.200 121.223 0.081 0.000 2.562 34 L HA 0.053 4.393 4.340 0.001 0.000 0.271 34 L C 0.195 177.002 176.870 -0.105 0.000 1.167 34 L CA 1.645 56.501 54.840 0.027 0.000 0.917 34 L CB 0.236 42.361 42.059 0.110 0.000 1.187 34 L HN 0.763 nan 8.230 nan 0.000 0.482 35 G N 4.186 112.723 108.800 -0.438 0.000 2.273 35 G HA2 -0.330 3.630 3.960 0.001 0.000 0.280 35 G HA3 -0.330 3.630 3.960 0.001 0.000 0.280 35 G C 0.335 175.000 174.900 -0.391 0.000 1.047 35 G CA 0.709 45.152 45.100 -1.095 0.000 0.869 35 G HN 0.812 nan 8.290 nan 0.000 0.502 36 N N -0.423 118.145 118.700 -0.221 0.000 2.423 36 N HA 0.145 4.885 4.740 0.001 0.000 0.262 36 N C -0.520 174.932 175.510 -0.097 0.000 1.467 36 N CA -0.059 52.942 53.050 -0.081 0.000 0.847 36 N CB 0.626 39.144 38.487 0.051 0.000 1.394 36 N HN 0.563 nan 8.380 nan 0.000 0.495 37 E N -0.358 119.781 120.200 -0.102 0.000 2.210 37 E HA 0.392 4.743 4.350 0.001 0.000 0.266 37 E C -0.434 176.136 176.600 -0.050 0.000 0.883 37 E CA -0.593 55.774 56.400 -0.055 0.000 0.761 37 E CB 1.545 31.244 29.700 -0.001 0.000 1.156 37 E HN 0.190 nan 8.360 nan 0.000 0.412 38 c N 3.166 121.732 118.600 -0.058 0.000 2.863 38 c HA 0.233 4.804 4.570 0.001 0.000 0.284 38 c C -0.250 173.825 174.090 -0.026 0.000 1.426 38 c CA -0.403 55.890 56.329 -0.060 0.000 1.782 38 c CB -1.380 41.064 42.510 -0.110 0.000 2.554 38 c HN 0.650 nan 8.230 nan 0.000 0.566 39 E N -0.712 119.500 120.200 0.020 0.000 2.410 39 E HA 0.495 4.845 4.350 0.001 0.000 0.269 39 E C -0.734 175.930 176.600 0.106 0.000 0.937 39 E CA -0.572 55.862 56.400 0.057 0.000 0.793 39 E CB 0.232 29.984 29.700 0.087 0.000 1.314 39 E HN -0.164 nan 8.360 nan 0.000 0.447 40 T N 1.234 115.858 114.554 0.118 0.000 2.756 40 T HA 0.370 4.721 4.350 0.001 0.000 0.290 40 T C -1.561 173.273 174.700 0.224 0.000 0.985 40 T CA -0.363 61.818 62.100 0.136 0.000 0.955 40 T CB -0.167 68.744 68.868 0.072 0.000 0.930 40 T HN 0.358 nan 8.240 nan 0.000 0.451 41 Y N 2.667 123.065 120.300 0.163 0.000 2.429 41 Y HA 0.714 5.264 4.550 0.001 0.000 0.342 41 Y C -0.814 175.262 175.900 0.294 0.000 1.004 41 Y CA -1.288 56.943 58.100 0.217 0.000 1.075 41 Y CB 1.393 39.995 38.460 0.238 0.000 1.214 41 Y HN 0.709 nan 8.280 nan 0.000 0.455 42 A N 4.791 127.299 122.820 -0.520 0.000 2.513 42 A HA 0.579 4.900 4.320 0.001 0.000 0.296 42 A C -1.766 175.712 177.584 -0.177 0.000 1.052 42 A CA -0.879 51.069 52.037 -0.149 0.000 0.714 42 A CB 1.194 20.229 19.000 0.057 0.000 1.279 42 A HN 0.743 nan 8.150 nan 0.000 0.397 43 E N 1.826 122.037 120.200 0.018 0.000 2.176 43 E HA 0.566 4.916 4.350 0.001 0.000 0.267 43 E C -1.304 175.381 176.600 0.142 0.000 0.893 43 E CA -0.574 55.856 56.400 0.050 0.000 0.761 43 E CB 2.191 31.922 29.700 0.051 0.000 1.133 43 E HN 0.549 nan 8.360 nan 0.000 0.409 44 L N 3.575 124.925 121.223 0.211 0.000 2.318 44 L HA 0.422 4.763 4.340 0.001 0.000 0.277 44 L C -0.269 176.723 176.870 0.204 0.000 1.008 44 L CA -0.681 54.361 54.840 0.335 0.000 0.846 44 L CB 0.800 43.131 42.059 0.452 0.000 1.220 44 L HN 0.290 nan 8.230 nan 0.000 0.423 45 K N 4.538 125.008 120.400 0.117 0.000 2.130 45 K HA 0.678 4.998 4.320 0.001 0.000 0.268 45 K C -0.835 175.867 176.600 0.170 0.000 0.983 45 K CA -0.524 55.789 56.287 0.043 0.000 0.893 45 K CB 2.186 34.655 32.500 -0.051 0.000 1.066 45 K HN 0.462 nan 8.250 nan 0.000 0.450 46 L N 2.495 123.759 121.223 0.069 0.000 2.442 46 L HA 0.396 4.737 4.340 0.001 0.000 0.261 46 L C -0.001 176.839 176.870 -0.050 0.000 1.000 46 L CA -0.567 54.322 54.840 0.082 0.000 0.882 46 L CB 1.648 43.754 42.059 0.079 0.000 1.207 46 L HN 0.839 nan 8.230 nan 0.000 0.443 47 G N 1.864 110.657 108.800 -0.011 0.000 3.016 47 G HA2 0.733 4.693 3.960 0.001 0.000 0.270 47 G HA3 0.733 4.693 3.960 0.001 0.000 0.270 47 G C -1.546 173.301 174.900 -0.090 0.000 1.352 47 G CA -0.303 44.701 45.100 -0.160 0.000 1.060 47 G HN 0.415 nan 8.290 nan 0.000 0.538 48 Q N -0.913 118.672 119.800 -0.358 0.000 2.599 48 Q HA 0.126 4.466 4.340 0.001 0.000 0.248 48 Q C -1.608 174.271 176.000 -0.201 0.000 0.964 48 Q CA -0.522 55.223 55.803 -0.097 0.000 1.011 48 Q CB 1.815 30.583 28.738 0.050 0.000 1.592 48 Q HN 0.652 nan 8.270 nan 0.000 0.443 49 E N 2.941 123.261 120.200 0.200 0.000 2.166 49 E HA 0.147 4.498 4.350 0.001 0.000 0.279 49 E C 0.642 177.387 176.600 0.242 0.000 1.095 49 E CA 0.046 56.667 56.400 0.369 0.000 0.888 49 E CB 0.754 30.705 29.700 0.420 0.000 1.041 49 E HN 0.511 nan 8.360 nan 0.000 0.414 50 V N 2.531 122.590 119.914 0.243 0.000 3.541 50 V HA 0.253 4.373 4.120 0.001 0.000 0.267 50 V C 0.137 176.451 176.094 0.367 0.000 1.213 50 V CA -0.136 62.296 62.300 0.219 0.000 1.149 50 V CB -0.949 30.934 31.823 0.099 0.000 0.822 50 V HN 0.671 nan 8.190 nan 0.000 0.462 51 W N 0.275 121.688 121.300 0.188 0.000 3.818 51 W HA 0.607 5.267 4.660 0.001 0.000 0.283 51 W C -1.333 175.296 176.519 0.184 0.000 1.265 51 W CA -0.665 56.793 57.345 0.188 0.000 1.226 51 W CB 1.175 30.788 29.460 0.255 0.000 1.281 51 W HN -0.123 nan 8.180 nan 0.000 0.539 52 K N 4.260 124.581 120.400 -0.133 0.000 2.553 52 K HA 0.341 4.661 4.320 0.001 0.000 0.250 52 K C -1.430 174.725 176.600 -0.742 0.000 0.953 52 K CA -0.469 55.649 56.287 -0.282 0.000 0.800 52 K CB 1.996 34.453 32.500 -0.071 0.000 1.243 52 K HN 0.575 nan 8.250 nan 0.000 0.435 53 E N 2.918 122.657 120.200 -0.769 0.000 2.580 53 E HA 0.264 4.614 4.350 0.001 0.000 0.248 53 E C -0.018 176.431 176.600 -0.251 0.000 1.018 53 E CA -0.089 55.960 56.400 -0.585 0.000 0.775 53 E CB 1.453 30.705 29.700 -0.746 0.000 1.378 53 E HN 0.979 nan 8.360 nan 0.000 0.401 54 G N 3.821 112.519 108.800 -0.169 0.000 2.557 54 G HA2 -0.391 3.569 3.960 0.001 0.000 0.292 54 G HA3 -0.391 3.569 3.960 0.001 0.000 0.292 54 G C 0.635 175.497 174.900 -0.064 0.000 1.162 54 G CA 0.542 45.589 45.100 -0.088 0.000 0.964 54 G HN 0.548 nan 8.290 nan 0.000 0.541 55 D N 1.649 122.028 120.400 -0.034 0.000 2.289 55 D HA 0.175 4.815 4.640 0.001 0.000 0.207 55 D C 1.194 177.494 176.300 0.000 0.000 0.966 55 D CA 0.908 54.898 54.000 -0.017 0.000 0.868 55 D CB 0.072 40.867 40.800 -0.008 0.000 0.943 55 D HN 0.508 nan 8.370 nan 0.000 0.514 56 K N 0.334 120.749 120.400 0.026 0.000 2.205 56 K HA 0.470 4.790 4.320 0.001 0.000 0.279 56 K C -0.195 176.528 176.600 0.205 0.000 1.027 56 K CA -0.299 56.060 56.287 0.121 0.000 0.932 56 K CB 1.579 34.249 32.500 0.284 0.000 1.032 56 K HN -0.045 nan 8.250 nan 0.000 0.466 57 S N 1.296 117.109 115.700 0.188 0.000 2.596 57 S HA 0.608 5.078 4.470 0.001 0.000 0.270 57 S C -1.279 173.386 174.600 0.109 0.000 1.155 57 S CA -1.049 57.343 58.200 0.321 0.000 0.827 57 S CB 0.709 64.038 63.200 0.215 0.000 1.130 57 S HN 0.351 nan 8.310 nan 0.000 0.467 58 F N 1.425 121.595 119.950 0.368 0.000 2.477 58 F HA 0.544 5.072 4.527 0.001 0.000 0.335 58 F C -0.774 175.192 175.800 0.276 0.000 1.130 58 F CA -0.600 57.533 58.000 0.221 0.000 0.948 58 F CB 1.532 40.579 39.000 0.077 0.000 1.154 58 F HN 0.743 nan 8.300 nan 0.000 0.439 59 Y N 4.489 124.977 120.300 0.313 0.000 2.360 59 Y HA 0.531 5.081 4.550 0.001 0.000 0.337 59 Y C -1.418 174.661 175.900 0.297 0.000 1.039 59 Y CA -1.709 56.540 58.100 0.248 0.000 1.109 59 Y CB 1.180 39.726 38.460 0.143 0.000 1.201 59 Y HN 0.445 nan 8.280 nan 0.000 0.458 60 F N 6.127 125.725 119.950 -0.586 0.000 2.449 60 F HA 0.462 4.989 4.527 0.001 0.000 0.342 60 F C -1.323 174.197 175.800 -0.465 0.000 1.127 60 F CA -0.807 56.993 58.000 -0.332 0.000 0.975 60 F CB 0.832 39.708 39.000 -0.206 0.000 1.146 60 F HN 0.487 nan 8.300 nan 0.000 0.444 61 D N 3.340 123.390 120.400 -0.584 0.000 2.481 61 D HA 0.561 5.202 4.640 0.001 0.000 0.244 61 D C -0.849 175.018 176.300 -0.722 0.000 1.057 61 D CA 0.070 53.751 54.000 -0.531 0.000 0.848 61 D CB 2.151 42.873 40.800 -0.129 0.000 1.388 61 D HN 0.687 nan 8.370 nan 0.000 0.475 62 T N 0.099 114.295 114.554 -0.597 0.000 2.865 62 T HA 0.659 5.009 4.350 0.001 0.000 0.294 62 T C -0.894 173.554 174.700 -0.419 0.000 1.119 62 T CA -1.019 60.758 62.100 -0.539 0.000 1.007 62 T CB 1.432 70.046 68.868 -0.424 0.000 1.225 62 T HN 0.383 nan 8.240 nan 0.000 0.515 63 N N -0.007 118.395 118.700 -0.497 0.000 2.493 63 N HA 0.504 5.244 4.740 0.001 0.000 0.279 63 N C -2.169 173.154 175.510 -0.311 0.000 1.082 63 N CA -0.651 52.171 53.050 -0.380 0.000 0.963 63 N CB 1.988 40.144 38.487 -0.551 0.000 1.627 63 N HN 0.552 nan 8.380 nan 0.000 0.499 64 V N 2.246 122.100 119.914 -0.100 0.000 2.409 64 V HA 0.720 4.841 4.120 0.001 0.000 0.290 64 V C -0.244 175.773 176.094 -0.129 0.000 1.017 64 V CA -0.529 61.736 62.300 -0.057 0.000 0.841 64 V CB 1.059 32.930 31.823 0.080 0.000 1.003 64 V HN 0.782 nan 8.190 nan 0.000 0.426 65 A N 5.125 127.818 122.820 -0.211 0.000 2.312 65 A HA 0.903 5.224 4.320 0.001 0.000 0.326 65 A C -1.344 176.018 177.584 -0.369 0.000 1.172 65 A CA -0.296 51.626 52.037 -0.192 0.000 0.821 65 A CB 0.707 19.683 19.000 -0.040 0.000 1.166 65 A HN 0.712 nan 8.150 nan 0.000 0.493 66 Y N 0.056 120.289 120.300 -0.112 0.000 2.536 66 Y HA 0.687 5.238 4.550 0.001 0.000 0.347 66 Y C 0.462 176.350 175.900 -0.019 0.000 1.000 66 Y CA -0.587 57.487 58.100 -0.044 0.000 1.051 66 Y CB 2.586 41.017 38.460 -0.048 0.000 1.259 66 Y HN 0.609 nan 8.280 nan 0.000 0.468 67 S N 2.052 117.890 115.700 0.230 0.000 2.536 67 S HA 0.603 5.073 4.470 0.001 0.000 0.246 67 S C -1.407 173.287 174.600 0.155 0.000 1.077 67 S CA -0.613 57.735 58.200 0.248 0.000 1.091 67 S CB -0.273 63.118 63.200 0.318 0.000 1.148 67 S HN 0.689 nan 8.310 nan 0.000 0.447 68 V N 2.415 122.400 119.914 0.119 0.000 3.177 68 V HA 0.984 5.104 4.120 0.001 0.000 0.319 68 V C 1.158 177.283 176.094 0.051 0.000 1.125 68 V CA -0.178 62.162 62.300 0.066 0.000 1.029 68 V CB 1.107 32.948 31.823 0.030 0.000 1.119 68 V HN 0.870 nan 8.190 nan 0.000 0.452 69 A N -0.097 122.739 122.820 0.026 0.000 2.195 69 A HA 0.175 4.495 4.320 0.001 0.000 0.210 69 A C 1.149 178.728 177.584 -0.009 0.000 1.165 69 A CA 0.751 52.793 52.037 0.008 0.000 0.806 69 A CB -0.725 18.274 19.000 -0.001 0.000 0.847 69 A HN 1.762 nan 8.150 nan 0.000 0.482 70 Q N -1.167 118.629 119.800 -0.007 0.000 2.460 70 Q HA -0.247 4.094 4.340 0.001 0.000 0.311 70 Q C -0.642 175.331 176.000 -0.045 0.000 1.396 70 Q CA 1.147 56.936 55.803 -0.023 0.000 0.838 70 Q CB -1.958 26.768 28.738 -0.020 0.000 1.140 70 Q HN 0.506 nan 8.270 nan 0.000 0.415 71 Q N 0.019 119.800 119.800 -0.031 0.000 2.164 71 Q HA 0.392 4.732 4.340 0.001 0.000 0.226 71 Q C -0.178 175.813 176.000 -0.015 0.000 0.813 71 Q CA 0.264 56.043 55.803 -0.040 0.000 0.978 71 Q CB 0.899 29.614 28.738 -0.038 0.000 1.149 71 Q HN 0.579 nan 8.270 nan 0.000 0.489 72 N N -0.429 118.272 118.700 0.003 0.000 3.020 72 N HA 0.015 4.756 4.740 0.001 0.000 0.248 72 N C -0.022 175.509 175.510 0.034 0.000 1.480 72 N CA -0.269 52.799 53.050 0.030 0.000 0.874 72 N CB 1.455 39.980 38.487 0.064 0.000 1.433 72 N HN -0.147 nan 8.380 nan 0.000 0.530 73 D N -0.124 120.315 120.400 0.066 0.000 2.121 73 D HA -0.088 4.552 4.640 0.001 0.000 0.209 73 D C 0.117 176.465 176.300 0.080 0.000 0.981 73 D CA 0.870 54.909 54.000 0.065 0.000 0.875 73 D CB -0.077 40.778 40.800 0.091 0.000 1.016 73 D HN 0.420 nan 8.370 nan 0.000 0.452 74 W N 2.653 123.948 121.300 -0.009 0.000 2.724 74 W HA 0.214 4.875 4.660 0.001 0.000 0.347 74 W C -0.951 175.568 176.519 0.001 0.000 1.338 74 W CA 0.143 57.485 57.345 -0.005 0.000 1.450 74 W CB -0.328 29.130 29.460 -0.003 0.000 1.534 74 W HN 0.163 nan 8.180 nan 0.000 0.508 75 E N 4.835 124.888 120.200 -0.244 0.000 2.331 75 E HA 0.376 4.727 4.350 0.001 0.000 0.243 75 E C -0.109 176.384 176.600 -0.178 0.000 0.925 75 E CA -0.494 55.857 56.400 -0.081 0.000 0.760 75 E CB 1.115 30.791 29.700 -0.040 0.000 1.254 75 E HN 0.397 nan 8.360 nan 0.000 0.419 76 A N 2.679 125.460 122.820 -0.065 0.000 2.445 76 A HA 0.471 4.792 4.320 0.001 0.000 0.242 76 A C 0.323 177.920 177.584 0.022 0.000 1.075 76 A CA 0.312 52.340 52.037 -0.016 0.000 0.777 76 A CB 1.050 20.154 19.000 0.174 0.000 1.013 76 A HN 0.476 nan 8.150 nan 0.000 0.493 77 T N -0.100 114.473 114.554 0.032 0.000 2.749 77 T HA 0.449 4.799 4.350 0.001 0.000 0.310 77 T C -2.109 172.619 174.700 0.046 0.000 1.496 77 T CA -0.646 61.484 62.100 0.051 0.000 1.006 77 T CB 1.227 70.140 68.868 0.075 0.000 1.457 77 T HN 0.521 nan 8.240 nan 0.000 0.497 78 D N 3.448 123.863 120.400 0.026 0.000 2.460 78 D HA 0.439 5.079 4.640 0.001 0.000 0.232 78 D C -1.913 174.359 176.300 -0.046 0.000 1.079 78 D CA -0.907 53.092 54.000 -0.003 0.000 0.864 78 D CB 1.337 42.137 40.800 -0.001 0.000 1.048 78 D HN 0.354 nan 8.370 nan 0.000 0.523 79 P HA 0.269 nan 4.420 nan 0.000 0.271 79 P C -0.911 176.284 177.300 -0.174 0.000 1.218 79 P CA -0.575 62.334 63.100 -0.320 0.000 0.780 79 P CB 1.084 32.426 31.700 -0.598 0.000 0.901 80 A N 3.307 126.039 122.820 -0.146 0.000 2.276 80 A HA 0.323 4.643 4.320 0.001 0.000 0.300 80 A C -0.535 177.065 177.584 0.026 0.000 1.235 80 A CA -0.543 51.475 52.037 -0.031 0.000 0.867 80 A CB -0.403 18.597 19.000 -0.001 0.000 1.137 80 A HN 0.509 nan 8.150 nan 0.000 0.527 81 F N 3.515 123.402 119.950 -0.106 0.000 2.439 81 F HA 0.307 4.835 4.527 0.001 0.000 0.356 81 F C 1.216 176.961 175.800 -0.092 0.000 1.161 81 F CA -0.507 57.430 58.000 -0.105 0.000 1.151 81 F CB 0.548 39.502 39.000 -0.078 0.000 1.222 81 F HN 0.735 nan 8.300 nan 0.000 0.558 82 R N 2.562 122.884 120.500 -0.296 0.000 2.189 82 R HA 0.169 4.510 4.340 0.001 0.000 0.203 82 R C -0.244 175.750 176.300 -0.511 0.000 1.012 82 R CA 0.459 56.376 56.100 -0.304 0.000 1.015 82 R CB 0.318 30.523 30.300 -0.159 0.000 0.938 82 R HN 0.529 nan 8.270 nan 0.000 0.472 83 E N -0.444 119.300 120.200 -0.760 0.000 2.308 83 E HA 0.566 4.917 4.350 0.001 0.000 0.275 83 E C -1.626 174.550 176.600 -0.707 0.000 0.890 83 E CA -0.638 55.367 56.400 -0.658 0.000 0.754 83 E CB 2.452 31.740 29.700 -0.687 0.000 1.207 83 E HN 0.136 nan 8.360 nan 0.000 0.426 84 A N 3.260 125.840 122.820 -0.399 0.000 2.770 84 A HA 0.326 4.646 4.320 0.001 0.000 0.295 84 A C -1.217 176.371 177.584 0.006 0.000 1.256 84 A CA -0.773 51.144 52.037 -0.199 0.000 0.870 84 A CB -0.349 18.659 19.000 0.014 0.000 1.451 84 A HN 0.724 nan 8.150 nan 0.000 0.505 85 N N -0.757 117.945 118.700 0.004 0.000 2.509 85 N HA 0.804 5.545 4.740 0.001 0.000 0.280 85 N C -1.298 174.356 175.510 0.240 0.000 1.306 85 N CA -1.075 52.067 53.050 0.154 0.000 0.782 85 N CB 2.427 41.011 38.487 0.163 0.000 1.493 85 N HN 0.071 nan 8.380 nan 0.000 0.498 86 V N 0.533 120.619 119.914 0.287 0.000 2.531 86 V HA 0.321 4.441 4.120 0.001 0.000 0.301 86 V C -1.026 175.276 176.094 0.347 0.000 1.034 86 V CA -0.543 61.947 62.300 0.316 0.000 0.865 86 V CB 1.385 33.357 31.823 0.248 0.000 0.995 86 V HN 0.686 nan 8.190 nan 0.000 0.424 87 Q N 2.948 122.961 119.800 0.355 0.000 2.322 87 Q HA 0.635 4.975 4.340 0.001 0.000 0.265 87 Q C 0.208 176.353 176.000 0.242 0.000 0.985 87 Q CA -0.498 55.492 55.803 0.313 0.000 0.849 87 Q CB 2.289 31.169 28.738 0.236 0.000 1.274 87 Q HN 0.877 nan 8.270 nan 0.000 0.449 88 G N 2.628 111.504 108.800 0.127 0.000 2.547 88 G HA2 0.330 4.290 3.960 0.001 0.000 0.327 88 G HA3 0.330 4.290 3.960 0.001 0.000 0.327 88 G C -0.650 174.153 174.900 -0.161 0.000 1.118 88 G CA -0.444 44.535 45.100 -0.203 0.000 1.022 88 G HN 0.343 nan 8.290 nan 0.000 0.464 89 K N 2.290 122.603 120.400 -0.145 0.000 2.201 89 K HA 0.218 4.539 4.320 0.001 0.000 0.278 89 K C 0.432 176.976 176.600 -0.095 0.000 1.027 89 K CA -0.525 55.711 56.287 -0.084 0.000 0.909 89 K CB 0.484 32.958 32.500 -0.043 0.000 1.062 89 K HN 0.491 nan 8.250 nan 0.000 0.465 90 N N 2.503 121.153 118.700 -0.083 0.000 2.776 90 N HA -0.197 4.544 4.740 0.001 0.000 0.249 90 N C 0.130 175.594 175.510 -0.077 0.000 1.111 90 N CA 0.582 53.589 53.050 -0.073 0.000 0.711 90 N CB -1.013 37.451 38.487 -0.039 0.000 1.065 90 N HN 0.591 nan 8.380 nan 0.000 0.556 91 L N -0.920 120.234 121.223 -0.116 0.000 2.446 91 L HA 0.142 4.482 4.340 0.001 0.000 0.219 91 L C 0.596 177.416 176.870 -0.084 0.000 1.116 91 L CA 0.602 55.381 54.840 -0.101 0.000 0.844 91 L CB 0.090 42.059 42.059 -0.150 0.000 0.970 91 L HN 0.055 nan 8.230 nan 0.000 0.457 92 I N 0.001 120.478 120.570 -0.155 0.000 2.307 92 I HA 0.065 4.236 4.170 0.001 0.000 0.287 92 I C 1.242 177.190 176.117 -0.281 0.000 1.054 92 I CA 0.047 61.185 61.300 -0.270 0.000 1.218 92 I CB 1.156 38.852 38.000 -0.507 0.000 1.398 92 I HN 0.042 nan 8.210 nan 0.000 0.475 93 E N 5.877 126.028 120.200 -0.080 0.000 2.065 93 E HA -0.228 4.122 4.350 0.001 0.000 0.201 93 E C 0.973 177.621 176.600 0.081 0.000 1.016 93 E CA 1.792 58.221 56.400 0.050 0.000 0.818 93 E CB -0.141 29.664 29.700 0.175 0.000 0.749 93 E HN 0.809 nan 8.360 nan 0.000 0.453 94 W N 0.382 121.691 121.300 0.014 0.000 3.377 94 W HA 0.274 4.934 4.660 0.001 0.000 0.277 94 W C 0.013 176.540 176.519 0.012 0.000 1.311 94 W CA 0.105 57.458 57.345 0.013 0.000 1.703 94 W CB -0.264 29.204 29.460 0.014 0.000 1.095 94 W HN -0.058 nan 8.180 nan 0.000 0.715 95 L N 3.231 124.226 121.223 -0.380 0.000 2.669 95 L HA 0.257 4.597 4.340 0.001 0.000 0.273 95 L C -2.142 174.594 176.870 -0.224 0.000 1.441 95 L CA -1.532 53.088 54.840 -0.367 0.000 0.745 95 L CB 0.911 42.561 42.059 -0.683 0.000 1.044 95 L HN -0.405 nan 8.230 nan 0.000 0.523 96 P HA 0.069 nan 4.420 nan 0.000 0.269 96 P C 0.904 178.163 177.300 -0.068 0.000 1.209 96 P CA 1.122 64.178 63.100 -0.072 0.000 0.776 96 P CB 1.367 33.052 31.700 -0.025 0.000 0.876 97 G N 1.454 110.216 108.800 -0.063 0.000 2.205 97 G HA2 -0.246 3.715 3.960 0.001 0.000 0.261 97 G HA3 -0.246 3.715 3.960 0.001 0.000 0.261 97 G C 0.305 175.167 174.900 -0.064 0.000 0.980 97 G CA 0.412 45.478 45.100 -0.058 0.000 0.632 97 G HN 0.938 nan 8.290 nan 0.000 0.533 98 S N -0.163 115.489 115.700 -0.079 0.000 2.616 98 S HA 0.755 5.225 4.470 0.001 0.000 0.277 98 S C 0.001 174.570 174.600 -0.052 0.000 1.234 98 S CA 0.587 58.746 58.200 -0.069 0.000 1.028 98 S CB 2.155 65.292 63.200 -0.105 0.000 0.988 98 S HN 0.601 nan 8.310 nan 0.000 0.522 99 T N 2.834 117.391 114.554 0.006 0.000 2.888 99 T HA 0.583 4.933 4.350 0.001 0.000 0.284 99 T C -0.105 174.675 174.700 0.135 0.000 1.017 99 T CA -0.721 61.415 62.100 0.061 0.000 1.022 99 T CB 0.818 69.751 68.868 0.107 0.000 1.013 99 T HN 0.782 nan 8.240 nan 0.000 0.465 100 I N 0.594 121.234 120.570 0.116 0.000 2.382 100 I HA 0.734 4.905 4.170 0.001 0.000 0.286 100 I C -0.888 175.354 176.117 0.208 0.000 1.002 100 I CA -0.956 60.398 61.300 0.089 0.000 1.135 100 I CB 1.229 39.224 38.000 -0.007 0.000 1.288 100 I HN 0.681 nan 8.210 nan 0.000 0.448 101 W N 4.844 126.166 121.300 0.037 0.000 2.882 101 W HA 0.919 5.579 4.660 0.001 0.000 0.345 101 W C -1.482 175.057 176.519 0.035 0.000 1.125 101 W CA -1.545 55.835 57.345 0.058 0.000 1.167 101 W CB 1.382 30.884 29.460 0.071 0.000 1.431 101 W HN 0.759 nan 8.180 nan 0.000 0.543 102 A N 1.419 124.361 122.820 0.203 0.000 2.549 102 A HA 0.924 5.244 4.320 0.001 0.000 0.297 102 A C -0.237 177.462 177.584 0.192 0.000 1.061 102 A CA -0.047 51.986 52.037 -0.005 0.000 0.690 102 A CB 1.227 20.186 19.000 -0.069 0.000 1.287 102 A HN 2.115 nan 8.150 nan 0.000 0.402 103 G N 0.199 109.094 108.800 0.158 0.000 2.347 103 G HA2 0.343 4.304 3.960 0.001 0.000 0.341 103 G HA3 0.343 4.304 3.960 0.001 0.000 0.341 103 G C -0.971 174.035 174.900 0.176 0.000 1.287 103 G CA -0.445 44.750 45.100 0.159 0.000 0.984 103 G HN 0.934 nan 8.290 nan 0.000 0.526 104 K N 0.305 120.755 120.400 0.084 0.000 2.285 104 K HA 0.633 4.954 4.320 0.001 0.000 0.286 104 K C 0.244 176.827 176.600 -0.028 0.000 1.072 104 K CA -0.447 55.856 56.287 0.027 0.000 0.913 104 K CB 0.586 33.061 32.500 -0.041 0.000 1.067 104 K HN 0.756 nan 8.250 nan 0.000 0.479 105 R N 4.040 124.551 120.500 0.020 0.000 2.668 105 R HA 0.279 4.619 4.340 0.001 0.000 0.272 105 R C -1.375 174.934 176.300 0.015 0.000 1.019 105 R CA -0.695 55.352 56.100 -0.088 0.000 0.894 105 R CB 0.624 30.836 30.300 -0.147 0.000 1.228 105 R HN 0.302 nan 8.270 nan 0.000 0.460 106 F N 3.919 123.763 119.950 -0.177 0.000 2.494 106 F HA 0.158 4.686 4.527 0.001 0.000 0.351 106 F C -0.237 175.448 175.800 -0.192 0.000 1.205 106 F CA -0.426 57.468 58.000 -0.177 0.000 1.125 106 F CB -0.291 38.589 39.000 -0.200 0.000 1.268 106 F HN 0.373 nan 8.300 nan 0.000 0.593 107 Y N 3.941 124.150 120.300 -0.152 0.000 2.425 107 Y HA 0.209 4.760 4.550 0.001 0.000 0.347 107 Y C 0.704 176.435 175.900 -0.282 0.000 0.976 107 Y CA -0.715 57.210 58.100 -0.292 0.000 1.190 107 Y CB 0.298 38.590 38.460 -0.279 0.000 1.136 107 Y HN 0.622 nan 8.280 nan 0.000 0.517 108 Q N 4.965 124.368 119.800 -0.661 0.000 2.413 108 Q HA -0.288 4.053 4.340 0.001 0.000 0.364 108 Q C -0.457 175.310 176.000 -0.389 0.000 1.359 108 Q CA 0.639 56.072 55.803 -0.617 0.000 1.097 108 Q CB -1.026 27.207 28.738 -0.841 0.000 1.286 108 Q HN 0.671 nan 8.270 nan 0.000 0.358 109 R N 0.888 121.224 120.500 -0.273 0.000 2.410 109 R HA 0.404 4.744 4.340 0.001 0.000 0.288 109 R C -0.537 175.659 176.300 -0.174 0.000 1.051 109 R CA -0.429 55.577 56.100 -0.156 0.000 1.021 109 R CB 1.013 31.274 30.300 -0.064 0.000 1.032 109 R HN 0.282 nan 8.270 nan 0.000 0.481 110 H N 1.506 120.293 119.070 -0.472 0.000 2.457 110 H HA 0.283 4.840 4.556 0.001 0.000 0.335 110 H C -0.587 174.090 175.328 -1.086 0.000 1.115 110 H CA -0.791 54.835 56.048 -0.702 0.000 1.219 110 H CB 1.924 31.222 29.762 -0.773 0.000 1.471 110 H HN 0.760 nan 8.280 nan 0.000 0.491 111 D N 0.984 120.906 120.400 -0.798 0.000 2.596 111 D HA 0.194 4.834 4.640 0.001 0.000 0.262 111 D C -1.113 175.024 176.300 -0.272 0.000 1.210 111 D CA -0.709 52.808 54.000 -0.805 0.000 0.873 111 D CB 1.848 41.752 40.800 -1.492 0.000 1.408 111 D HN 0.206 nan 8.370 nan 0.000 0.441 112 V N 1.696 121.503 119.914 -0.179 0.000 2.304 112 V HA 0.088 4.209 4.120 0.001 0.000 0.278 112 V C 1.255 177.351 176.094 0.003 0.000 1.018 112 V CA -0.492 61.742 62.300 -0.111 0.000 0.814 112 V CB 0.392 32.132 31.823 -0.138 0.000 1.021 112 V HN 0.762 nan 8.190 nan 0.000 0.440 113 H N 5.574 124.691 119.070 0.078 0.000 2.289 113 H HA -0.283 4.274 4.556 0.001 0.000 0.294 113 H C 2.097 177.472 175.328 0.077 0.000 1.095 113 H CA 3.135 59.243 56.048 0.100 0.000 1.256 113 H CB 0.161 30.070 29.762 0.245 0.000 1.359 113 H HN 0.692 nan 8.280 nan 0.000 0.487 114 M N 0.027 119.641 119.600 0.024 0.000 2.358 114 M HA -0.020 4.461 4.480 0.001 0.000 0.264 114 M C 1.591 177.828 176.300 -0.105 0.000 1.064 114 M CA 2.059 57.357 55.300 -0.004 0.000 1.093 114 M CB -0.210 32.489 32.600 0.166 0.000 1.401 114 M HN 0.478 nan 8.290 nan 0.000 0.440 115 I N -3.043 117.436 120.570 -0.151 0.000 3.976 115 I HA 0.324 4.495 4.170 0.001 0.000 0.337 115 I C -0.192 175.870 176.117 -0.092 0.000 1.359 115 I CA -0.332 60.817 61.300 -0.251 0.000 1.098 115 I CB -0.238 37.541 38.000 -0.367 0.000 1.027 115 I HN 0.088 nan 8.210 nan 0.000 0.394 116 D N 2.369 122.705 120.400 -0.106 0.000 2.697 116 D HA -0.296 4.344 4.640 0.001 0.000 0.235 116 D C -0.799 175.560 176.300 0.098 0.000 1.167 116 D CA 0.800 54.759 54.000 -0.068 0.000 0.656 116 D CB -1.053 39.697 40.800 -0.084 0.000 1.025 116 D HN 0.532 nan 8.370 nan 0.000 0.419 117 F N 1.641 121.542 119.950 -0.081 0.000 2.449 117 F HA 0.475 5.003 4.527 0.001 0.000 0.342 117 F C -1.160 174.638 175.800 -0.004 0.000 1.127 117 F CA -1.064 56.949 58.000 0.022 0.000 0.975 117 F CB 0.754 39.772 39.000 0.029 0.000 1.146 117 F HN -0.116 nan 8.300 nan 0.000 0.444 118 Y N 7.050 126.996 120.300 -0.590 0.000 2.383 118 Y HA 0.166 4.717 4.550 0.001 0.000 0.344 118 Y C 0.385 175.828 175.900 -0.761 0.000 0.986 118 Y CA -0.376 57.375 58.100 -0.581 0.000 1.175 118 Y CB 0.426 38.626 38.460 -0.433 0.000 1.152 118 Y HN 0.666 nan 8.280 nan 0.000 0.511 119 Y N -0.100 119.899 120.300 -0.502 0.000 2.500 119 Y HA 0.218 4.768 4.550 0.001 0.000 0.270 119 Y C -0.078 175.793 175.900 -0.047 0.000 1.134 119 Y CA -0.730 57.146 58.100 -0.373 0.000 1.293 119 Y CB 0.403 38.739 38.460 -0.207 0.000 1.063 119 Y HN 0.457 nan 8.280 nan 0.000 0.534 120 W N 2.802 123.870 121.300 -0.386 0.000 2.642 120 W HA 0.455 5.116 4.660 0.001 0.000 0.304 120 W C -2.073 174.326 176.519 -0.199 0.000 1.023 120 W CA -1.712 55.470 57.345 -0.272 0.000 1.290 120 W CB 1.189 30.371 29.460 -0.464 0.000 1.190 120 W HN 0.059 nan 8.180 nan 0.000 0.374 121 D N 5.191 125.654 120.400 0.106 0.000 2.470 121 D HA 0.220 4.860 4.640 0.001 0.000 0.233 121 D C 0.093 176.377 176.300 -0.026 0.000 1.372 121 D CA -0.234 53.740 54.000 -0.044 0.000 0.994 121 D CB 0.585 41.318 40.800 -0.112 0.000 1.377 121 D HN 0.349 nan 8.370 nan 0.000 0.586 122 I N 0.186 120.748 120.570 -0.013 0.000 3.889 122 I HA 0.374 4.544 4.170 0.001 0.000 0.332 122 I C 0.113 176.220 176.117 -0.017 0.000 1.493 122 I CA -0.542 60.754 61.300 -0.006 0.000 1.158 122 I CB 0.349 38.363 38.000 0.024 0.000 1.117 122 I HN -0.036 nan 8.210 nan 0.000 0.411 123 S N 1.854 117.537 115.700 -0.027 0.000 2.560 123 S HA 0.571 5.041 4.470 0.001 0.000 0.276 123 S C 0.618 175.232 174.600 0.024 0.000 1.350 123 S CA 0.432 58.650 58.200 0.029 0.000 1.024 123 S CB 0.729 63.959 63.200 0.051 0.000 0.864 123 S HN 0.870 nan 8.310 nan 0.000 0.536 124 G N 1.091 109.928 108.800 0.062 0.000 2.350 124 G HA2 0.270 4.231 3.960 0.001 0.000 0.282 124 G HA3 0.270 4.231 3.960 0.001 0.000 0.282 124 G C -3.639 171.288 174.900 0.044 0.000 1.314 124 G CA -1.159 43.959 45.100 0.031 0.000 0.915 124 G HN 0.481 nan 8.290 nan 0.000 0.499 125 P HA 0.488 nan 4.420 nan 0.000 0.266 125 P C 0.536 177.849 177.300 0.022 0.000 1.195 125 P CA 1.312 64.427 63.100 0.024 0.000 0.768 125 P CB 1.251 32.948 31.700 -0.006 0.000 0.838 126 G N 0.404 109.230 108.800 0.044 0.000 2.490 126 G HA2 0.693 4.653 3.960 0.001 0.000 0.308 126 G HA3 0.693 4.653 3.960 0.001 0.000 0.308 126 G C -2.120 172.570 174.900 -0.349 0.000 1.286 126 G CA -0.036 45.022 45.100 -0.069 0.000 0.825 126 G HN 0.583 nan 8.290 nan 0.000 0.479 127 A N -1.929 120.404 122.820 -0.812 0.000 2.599 127 A HA 1.059 5.379 4.320 0.001 0.000 0.294 127 A C -0.288 176.472 177.584 -1.373 0.000 1.055 127 A CA 0.424 51.694 52.037 -1.277 0.000 0.683 127 A CB 1.420 20.055 19.000 -0.609 0.000 1.278 127 A HN 2.574 nan 8.150 nan 0.000 0.412 128 G N -0.888 106.978 108.800 -1.556 0.000 2.489 128 G HA2 0.627 4.587 3.960 0.001 0.000 0.291 128 G HA3 0.627 4.587 3.960 0.001 0.000 0.291 128 G C -2.352 172.360 174.900 -0.313 0.000 1.487 128 G CA -0.503 44.197 45.100 -0.667 0.000 0.795 128 G HN 1.680 nan 8.290 nan 0.000 0.513 129 L N 0.964 122.178 121.223 -0.014 0.000 2.295 129 L HA 0.662 5.003 4.340 0.001 0.000 0.281 129 L C 0.113 177.086 176.870 0.171 0.000 1.018 129 L CA -0.814 54.056 54.840 0.050 0.000 0.841 129 L CB 1.015 43.063 42.059 -0.017 0.000 1.218 129 L HN 0.670 nan 8.230 nan 0.000 0.424 130 E N 4.316 124.670 120.200 0.257 0.000 2.214 130 E HA 0.282 4.632 4.350 0.001 0.000 0.274 130 E C -0.199 176.448 176.600 0.079 0.000 0.977 130 E CA -0.419 56.121 56.400 0.233 0.000 0.827 130 E CB 0.710 30.589 29.700 0.299 0.000 1.130 130 E HN 0.676 nan 8.360 nan 0.000 0.394 131 N N 2.586 121.306 118.700 0.033 0.000 2.756 131 N HA -0.186 4.555 4.740 0.001 0.000 0.248 131 N C -0.895 174.592 175.510 -0.039 0.000 1.062 131 N CA 0.313 53.349 53.050 -0.023 0.000 0.696 131 N CB -0.752 37.707 38.487 -0.046 0.000 0.946 131 N HN 0.481 nan 8.380 nan 0.000 0.548 132 I N 0.535 121.085 120.570 -0.034 0.000 2.441 132 I HA 0.051 4.221 4.170 0.001 0.000 0.287 132 I C 0.828 176.904 176.117 -0.067 0.000 1.049 132 I CA -0.215 61.053 61.300 -0.054 0.000 1.381 132 I CB 0.757 38.732 38.000 -0.041 0.000 1.409 132 I HN 0.014 nan 8.210 nan 0.000 0.523 133 D N 6.351 126.710 120.400 -0.067 0.000 2.352 133 D HA 0.111 4.751 4.640 0.001 0.000 0.245 133 D C 0.403 176.648 176.300 -0.091 0.000 1.224 133 D CA -0.040 53.912 54.000 -0.080 0.000 0.879 133 D CB 1.350 42.119 40.800 -0.052 0.000 1.057 133 D HN 0.213 nan 8.370 nan 0.000 0.491 134 V N 3.612 123.411 119.914 -0.192 0.000 3.421 134 V HA 0.268 4.388 4.120 0.001 0.000 0.316 134 V C 1.767 177.702 176.094 -0.265 0.000 1.347 134 V CA 0.434 62.590 62.300 -0.240 0.000 1.183 134 V CB -0.217 31.363 31.823 -0.406 0.000 1.092 134 V HN 0.865 nan 8.190 nan 0.000 0.433 135 G N 2.049 110.764 108.800 -0.141 0.000 5.045 135 G HA2 -0.418 3.543 3.960 0.001 0.000 0.229 135 G HA3 -0.418 3.543 3.960 0.001 0.000 0.229 135 G C 0.698 175.623 174.900 0.042 0.000 1.440 135 G CA 0.700 45.808 45.100 0.015 0.000 0.936 135 G HN 0.587 nan 8.290 nan 0.000 0.690 136 F N 1.706 121.678 119.950 0.036 0.000 2.558 136 F HA 0.542 5.069 4.527 0.001 0.000 0.298 136 F C 1.312 177.134 175.800 0.037 0.000 1.119 136 F CA 0.501 58.523 58.000 0.036 0.000 1.451 136 F CB -0.683 38.341 39.000 0.040 0.000 1.091 136 F HN 0.899 nan 8.300 nan 0.000 0.563 137 G N -0.286 108.231 108.800 -0.472 0.000 2.606 137 G HA2 0.521 4.481 3.960 0.001 0.000 0.300 137 G HA3 0.521 4.481 3.960 0.001 0.000 0.300 137 G C -1.920 172.802 174.900 -0.297 0.000 1.360 137 G CA -1.257 43.678 45.100 -0.275 0.000 0.783 137 G HN -0.072 nan 8.290 nan 0.000 0.484 138 K N -0.160 120.143 120.400 -0.163 0.000 2.235 138 K HA 0.644 4.965 4.320 0.001 0.000 0.266 138 K C -0.816 175.737 176.600 -0.079 0.000 0.980 138 K CA -0.450 55.767 56.287 -0.117 0.000 0.849 138 K CB 1.668 34.120 32.500 -0.080 0.000 1.098 138 K HN 0.414 nan 8.250 nan 0.000 0.445 139 L N 1.934 123.118 121.223 -0.065 0.000 2.307 139 L HA 0.556 4.896 4.340 0.001 0.000 0.284 139 L C -0.949 175.947 176.870 0.043 0.000 1.023 139 L CA 0.319 55.159 54.840 -0.001 0.000 0.810 139 L CB 1.562 43.619 42.059 -0.004 0.000 1.231 139 L HN 0.532 nan 8.230 nan 0.000 0.423 140 S N 5.311 121.069 115.700 0.097 0.000 2.536 140 S HA 0.805 5.276 4.470 0.001 0.000 0.298 140 S C -0.992 173.721 174.600 0.188 0.000 1.083 140 S CA -0.606 57.686 58.200 0.154 0.000 0.995 140 S CB 1.608 64.921 63.200 0.189 0.000 1.058 140 S HN 0.553 nan 8.310 nan 0.000 0.488 141 L N 1.786 123.121 121.223 0.187 0.000 2.409 141 L HA 0.904 5.244 4.340 0.001 0.000 0.272 141 L C -0.440 176.490 176.870 0.100 0.000 0.980 141 L CA -0.626 54.300 54.840 0.145 0.000 0.826 141 L CB 1.775 43.891 42.059 0.094 0.000 1.268 141 L HN 0.774 nan 8.230 nan 0.000 0.407 142 A N 2.453 125.299 122.820 0.044 0.000 2.572 142 A HA 0.965 5.285 4.320 0.001 0.000 0.295 142 A C -1.406 176.142 177.584 -0.061 0.000 1.072 142 A CA -0.446 51.527 52.037 -0.106 0.000 0.691 142 A CB 2.049 20.843 19.000 -0.343 0.000 1.291 142 A HN 0.771 nan 8.150 nan 0.000 0.404 143 A N 1.043 123.785 122.820 -0.130 0.000 2.335 143 A HA 0.841 5.161 4.320 0.001 0.000 0.304 143 A C 0.025 177.486 177.584 -0.205 0.000 1.118 143 A CA 0.190 52.151 52.037 -0.126 0.000 0.757 143 A CB 0.767 19.775 19.000 0.012 0.000 1.188 143 A HN 1.939 nan 8.150 nan 0.000 0.460 144 T N -0.401 114.013 114.554 -0.233 0.000 2.883 144 T HA 0.877 5.228 4.350 0.001 0.000 0.284 144 T C -0.246 174.324 174.700 -0.217 0.000 1.041 144 T CA -0.824 61.176 62.100 -0.166 0.000 1.007 144 T CB 1.567 70.378 68.868 -0.095 0.000 1.220 144 T HN 1.016 nan 8.240 nan 0.000 0.552 145 R N -0.213 120.198 120.500 -0.148 0.000 2.698 145 R HA 0.727 5.067 4.340 0.001 0.000 0.275 145 R C -1.148 175.086 176.300 -0.110 0.000 1.001 145 R CA -0.101 55.909 56.100 -0.150 0.000 0.896 145 R CB 1.941 32.168 30.300 -0.121 0.000 1.218 145 R HN 1.167 nan 8.270 nan 0.000 0.462 146 S N 0.868 116.499 115.700 -0.116 0.000 2.671 146 S HA 0.807 5.277 4.470 0.001 0.000 0.277 146 S C -1.350 173.199 174.600 -0.086 0.000 1.165 146 S CA -0.201 57.945 58.200 -0.090 0.000 0.822 146 S CB 1.574 64.718 63.200 -0.094 0.000 1.150 146 S HN 1.223 nan 8.310 nan 0.000 0.479 147 S N -0.030 115.630 115.700 -0.067 0.000 2.562 147 S HA 0.492 4.962 4.470 0.001 0.000 0.274 147 S C -1.373 173.202 174.600 -0.041 0.000 1.160 147 S CA -0.853 57.312 58.200 -0.059 0.000 0.933 147 S CB 1.130 64.296 63.200 -0.055 0.000 1.100 147 S HN 0.866 nan 8.310 nan 0.000 0.468 148 E N 2.278 122.460 120.200 -0.031 0.000 2.313 148 E HA 0.580 4.930 4.350 0.001 0.000 0.272 148 E C 1.347 177.964 176.600 0.029 0.000 1.038 148 E CA -0.639 55.758 56.400 -0.006 0.000 0.863 148 E CB 1.028 30.721 29.700 -0.011 0.000 1.060 148 E HN 0.737 nan 8.360 nan 0.000 0.402 149 A N 3.031 125.888 122.820 0.061 0.000 1.903 149 A HA -0.126 4.195 4.320 0.001 0.000 0.219 149 A C 1.188 178.825 177.584 0.088 0.000 1.191 149 A CA 2.062 54.136 52.037 0.062 0.000 0.638 149 A CB -0.670 18.377 19.000 0.078 0.000 0.823 149 A HN 0.743 nan 8.150 nan 0.000 0.451 150 G N -5.344 103.647 108.800 0.319 0.000 3.214 150 G HA2 0.530 4.490 3.960 0.001 0.000 0.188 150 G HA3 0.530 4.490 3.960 0.001 0.000 0.188 150 G C 0.785 175.848 174.900 0.272 0.000 1.126 150 G CA 0.455 45.766 45.100 0.352 0.000 0.796 150 G HN 1.559 nan 8.290 nan 0.000 0.631 151 G N -1.587 107.384 108.800 0.286 0.000 2.218 151 G HA2 -0.070 3.890 3.960 0.001 0.000 0.216 151 G HA3 -0.070 3.890 3.960 0.001 0.000 0.216 151 G C 0.302 175.344 174.900 0.237 0.000 0.994 151 G CA 0.729 45.925 45.100 0.160 0.000 0.637 151 G HN 1.295 nan 8.290 nan 0.000 0.505 152 S N -0.433 115.402 115.700 0.224 0.000 2.566 152 S HA 0.799 5.269 4.470 0.001 0.000 0.298 152 S C -0.372 174.206 174.600 -0.036 0.000 1.083 152 S CA 0.100 58.422 58.200 0.204 0.000 0.978 152 S CB 2.042 65.381 63.200 0.232 0.000 1.073 152 S HN 0.690 nan 8.310 nan 0.000 0.491 153 S N 0.641 116.146 115.700 -0.325 0.000 2.482 153 S HA 0.376 4.847 4.470 0.001 0.000 0.303 153 S C 1.008 175.151 174.600 -0.761 0.000 1.091 153 S CA -0.574 57.143 58.200 -0.805 0.000 1.057 153 S CB 1.533 63.781 63.200 -1.586 0.000 1.031 153 S HN 0.671 nan 8.310 nan 0.000 0.485 154 S N 3.255 118.449 115.700 -0.843 0.000 2.447 154 S HA 0.115 4.585 4.470 0.001 0.000 0.233 154 S C 0.229 174.536 174.600 -0.489 0.000 1.006 154 S CA 0.973 58.592 58.200 -0.968 0.000 0.957 154 S CB -0.478 62.488 63.200 -0.389 0.000 0.773 154 S HN 0.659 nan 8.310 nan 0.000 0.507 155 F N -1.458 118.256 119.950 -0.392 0.000 2.662 155 F HA 0.810 5.338 4.527 0.001 0.000 0.312 155 F C -0.633 175.049 175.800 -0.198 0.000 1.113 155 F CA -1.562 56.297 58.000 -0.235 0.000 0.951 155 F CB 0.891 39.789 39.000 -0.169 0.000 1.344 155 F HN -0.117 nan 8.300 nan 0.000 0.462 156 A N 2.191 125.063 122.820 0.087 0.000 2.395 156 A HA 0.552 4.872 4.320 0.001 0.000 0.286 156 A C 0.085 177.785 177.584 0.193 0.000 1.193 156 A CA 0.297 52.364 52.037 0.050 0.000 0.852 156 A CB -0.998 18.063 19.000 0.101 0.000 1.118 156 A HN 1.120 nan 8.150 nan 0.000 0.524 157 S N 2.165 117.864 115.700 -0.002 0.000 2.704 157 S HA 0.470 4.940 4.470 0.001 0.000 0.305 157 S C 0.392 175.134 174.600 0.235 0.000 1.107 157 S CA -0.848 57.474 58.200 0.204 0.000 0.993 157 S CB 1.357 64.580 63.200 0.038 0.000 1.110 157 S HN 0.578 nan 8.310 nan 0.000 0.534 158 N N 0.476 119.300 118.700 0.206 0.000 2.294 158 N HA 0.092 4.832 4.740 0.001 0.000 0.186 158 N C -0.349 175.237 175.510 0.126 0.000 1.107 158 N CA 0.071 53.203 53.050 0.137 0.000 0.884 158 N CB -0.038 38.508 38.487 0.100 0.000 1.030 158 N HN 0.721 nan 8.380 nan 0.000 0.482 159 N N 1.593 120.405 118.700 0.186 0.000 2.408 159 N HA 0.095 4.835 4.740 0.001 0.000 0.257 159 N C 1.111 176.729 175.510 0.180 0.000 1.064 159 N CA -0.142 53.010 53.050 0.171 0.000 0.952 159 N CB 1.074 39.706 38.487 0.242 0.000 1.093 159 N HN 0.030 nan 8.380 nan 0.000 0.490 160 I N 4.303 124.853 120.570 -0.034 0.000 2.335 160 I HA -0.294 3.876 4.170 0.001 0.000 0.251 160 I C 0.797 176.936 176.117 0.037 0.000 1.129 160 I CA 1.388 62.621 61.300 -0.112 0.000 1.402 160 I CB -0.005 37.783 38.000 -0.353 0.000 1.069 160 I HN 0.664 nan 8.210 nan 0.000 0.424 161 Y N 0.273 120.697 120.300 0.206 0.000 2.680 161 Y HA -0.162 4.388 4.550 0.001 0.000 0.303 161 Y C 1.851 177.856 175.900 0.176 0.000 1.166 161 Y CA 0.484 58.707 58.100 0.205 0.000 1.344 161 Y CB -0.749 37.817 38.460 0.177 0.000 1.002 161 Y HN 0.241 nan 8.280 nan 0.000 0.537 162 D N -1.587 118.972 120.400 0.264 0.000 2.354 162 D HA -0.048 4.592 4.640 0.001 0.000 0.209 162 D C -0.297 175.854 176.300 -0.248 0.000 1.015 162 D CA 0.478 54.466 54.000 -0.020 0.000 0.867 162 D CB 0.020 40.672 40.800 -0.247 0.000 0.933 162 D HN 0.315 nan 8.370 nan 0.000 0.520 163 Y N 0.942 121.233 120.300 -0.016 0.000 2.817 163 Y HA 0.147 4.697 4.550 0.001 0.000 0.339 163 Y C 1.327 177.339 175.900 0.187 0.000 1.281 163 Y CA -0.203 57.901 58.100 0.008 0.000 1.564 163 Y CB 0.108 38.538 38.460 -0.051 0.000 1.628 163 Y HN -0.173 nan 8.280 nan 0.000 0.489 164 T N -3.973 110.713 114.554 0.219 0.000 3.084 164 T HA 0.186 4.537 4.350 0.001 0.000 0.270 164 T C 0.217 174.967 174.700 0.084 0.000 1.008 164 T CA -0.476 61.757 62.100 0.222 0.000 0.900 164 T CB -0.052 68.856 68.868 0.067 0.000 1.084 164 T HN 0.218 nan 8.240 nan 0.000 0.538 165 N N 3.094 121.857 118.700 0.104 0.000 2.488 165 N HA 0.139 4.880 4.740 0.001 0.000 0.274 165 N C -0.173 175.385 175.510 0.081 0.000 1.111 165 N CA -0.173 52.932 53.050 0.091 0.000 0.974 165 N CB 1.461 40.060 38.487 0.187 0.000 1.089 165 N HN 0.550 nan 8.380 nan 0.000 0.465 166 E N 0.893 121.107 120.200 0.024 0.000 2.502 166 E HA -0.062 4.288 4.350 0.001 0.000 0.261 166 E C -0.459 176.137 176.600 -0.007 0.000 0.974 166 E CA 0.402 56.806 56.400 0.007 0.000 0.936 166 E CB 0.563 30.246 29.700 -0.028 0.000 0.926 166 E HN 0.445 nan 8.360 nan 0.000 0.459 167 T N 2.463 117.015 114.554 -0.003 0.000 2.847 167 T HA 0.581 4.931 4.350 0.001 0.000 0.291 167 T C -0.592 174.079 174.700 -0.048 0.000 0.998 167 T CA -0.427 61.658 62.100 -0.025 0.000 0.967 167 T CB 1.019 69.891 68.868 0.007 0.000 0.954 167 T HN 0.525 nan 8.240 nan 0.000 0.441 168 A N 4.814 127.593 122.820 -0.068 0.000 2.425 168 A HA 0.619 4.939 4.320 0.001 0.000 0.249 168 A C 0.103 177.632 177.584 -0.092 0.000 1.084 168 A CA -0.395 51.594 52.037 -0.080 0.000 0.781 168 A CB -0.105 18.845 19.000 -0.084 0.000 1.019 168 A HN 0.891 nan 8.150 nan 0.000 0.490 169 N N 0.833 119.464 118.700 -0.116 0.000 2.272 169 N HA 0.551 5.291 4.740 0.001 0.000 0.305 169 N C -1.715 173.668 175.510 -0.212 0.000 1.103 169 N CA -0.537 52.421 53.050 -0.154 0.000 0.791 169 N CB 1.739 40.132 38.487 -0.156 0.000 1.356 169 N HN 0.554 nan 8.380 nan 0.000 0.486 170 D N 0.287 120.512 120.400 -0.293 0.000 2.362 170 D HA 0.449 5.090 4.640 0.001 0.000 0.247 170 D C -0.756 175.131 176.300 -0.688 0.000 1.050 170 D CA -0.272 53.432 54.000 -0.494 0.000 0.839 170 D CB 2.118 42.593 40.800 -0.542 0.000 1.283 170 D HN 0.026 nan 8.370 nan 0.000 0.477 171 V N 2.334 121.808 119.914 -0.733 0.000 2.555 171 V HA 0.471 4.592 4.120 0.001 0.000 0.302 171 V C -0.828 174.824 176.094 -0.737 0.000 1.038 171 V CA -0.714 61.226 62.300 -0.599 0.000 0.887 171 V CB 1.304 32.943 31.823 -0.307 0.000 0.991 171 V HN 0.340 nan 8.190 nan 0.000 0.434 172 F N 2.801 122.714 119.950 -0.063 0.000 2.445 172 F HA 0.455 4.982 4.527 0.001 0.000 0.348 172 F C 0.103 175.926 175.800 0.038 0.000 1.125 172 F CA -0.772 57.226 58.000 -0.003 0.000 0.983 172 F CB 1.362 40.385 39.000 0.039 0.000 1.198 172 F HN 0.444 nan 8.300 nan 0.000 0.436 173 D N 3.028 123.552 120.400 0.206 0.000 2.256 173 D HA 0.603 5.244 4.640 0.001 0.000 0.246 173 D C -1.478 174.965 176.300 0.238 0.000 1.042 173 D CA -0.272 53.857 54.000 0.215 0.000 0.841 173 D CB 2.464 43.364 40.800 0.166 0.000 1.223 173 D HN 0.317 nan 8.370 nan 0.000 0.470 174 V N 4.299 124.382 119.914 0.281 0.000 2.569 174 V HA 0.466 4.586 4.120 0.001 0.000 0.301 174 V C -0.322 175.955 176.094 0.305 0.000 1.044 174 V CA -0.691 61.766 62.300 0.260 0.000 0.874 174 V CB 1.946 33.912 31.823 0.239 0.000 1.002 174 V HN 0.514 nan 8.190 nan 0.000 0.424 175 R N 3.544 124.207 120.500 0.271 0.000 2.750 175 R HA 0.792 5.133 4.340 0.001 0.000 0.281 175 R C -1.587 174.833 176.300 0.200 0.000 0.972 175 R CA -0.803 55.471 56.100 0.289 0.000 0.912 175 R CB 2.286 32.735 30.300 0.248 0.000 1.187 175 R HN 0.480 nan 8.270 nan 0.000 0.464 176 L N 1.934 123.279 121.223 0.204 0.000 2.457 176 L HA 0.739 5.079 4.340 0.001 0.000 0.266 176 L C -1.227 175.725 176.870 0.137 0.000 0.979 176 L CA -0.144 54.777 54.840 0.136 0.000 0.857 176 L CB 1.273 43.430 42.059 0.162 0.000 1.213 176 L HN 0.840 nan 8.230 nan 0.000 0.418 177 A N 2.763 125.628 122.820 0.074 0.000 2.464 177 A HA 0.683 5.003 4.320 0.001 0.000 0.268 177 A C 0.132 177.732 177.584 0.027 0.000 1.244 177 A CA -0.264 51.815 52.037 0.070 0.000 0.871 177 A CB 0.843 19.872 19.000 0.048 0.000 1.400 177 A HN 0.663 nan 8.150 nan 0.000 0.455 178 Q N -1.491 118.321 119.800 0.021 0.000 2.461 178 Q HA -0.198 4.142 4.340 0.001 0.000 0.273 178 Q C -0.734 175.286 176.000 0.034 0.000 1.163 178 Q CA 0.991 56.795 55.803 0.003 0.000 0.929 178 Q CB -1.452 27.267 28.738 -0.031 0.000 1.334 178 Q HN 0.647 nan 8.270 nan 0.000 0.499 179 M N 0.595 120.242 119.600 0.079 0.000 2.146 179 M HA 0.112 4.592 4.480 0.001 0.000 0.357 179 M C 0.172 176.535 176.300 0.105 0.000 1.261 179 M CA 0.352 55.729 55.300 0.129 0.000 1.106 179 M CB 0.769 33.487 32.600 0.197 0.000 1.612 179 M HN -0.041 nan 8.290 nan 0.000 0.470 180 E N 3.183 123.441 120.200 0.098 0.000 2.110 180 E HA 0.095 4.445 4.350 0.001 0.000 0.300 180 E C 0.779 177.439 176.600 0.101 0.000 1.278 180 E CA -0.117 56.331 56.400 0.081 0.000 1.365 180 E CB -0.240 29.497 29.700 0.062 0.000 1.283 180 E HN 0.560 nan 8.360 nan 0.000 0.490 181 I N 1.359 122.006 120.570 0.129 0.000 2.381 181 I HA -0.270 3.900 4.170 0.001 0.000 0.255 181 I C 0.952 177.139 176.117 0.117 0.000 1.140 181 I CA 1.515 62.894 61.300 0.133 0.000 1.404 181 I CB -1.332 36.775 38.000 0.178 0.000 1.075 181 I HN 0.533 nan 8.210 nan 0.000 0.433 182 N N 0.334 119.112 118.700 0.130 0.000 3.277 182 N HA 0.259 5.000 4.740 0.001 0.000 0.278 182 N C -3.184 172.380 175.510 0.090 0.000 1.544 182 N CA -1.023 52.090 53.050 0.105 0.000 0.869 182 N CB 1.676 40.235 38.487 0.120 0.000 1.584 182 N HN -0.251 nan 8.380 nan 0.000 0.564 183 P HA 0.219 nan 4.420 nan 0.000 0.287 183 P C 0.614 177.953 177.300 0.066 0.000 1.307 183 P CA 0.785 63.920 63.100 0.058 0.000 0.777 183 P CB 0.596 32.323 31.700 0.045 0.000 0.883 184 G N 2.564 111.396 108.800 0.054 0.000 2.234 184 G HA2 -0.147 3.813 3.960 0.001 0.000 0.235 184 G HA3 -0.147 3.813 3.960 0.001 0.000 0.235 184 G C 0.371 175.296 174.900 0.042 0.000 0.997 184 G CA -0.173 44.959 45.100 0.053 0.000 0.623 184 G HN 0.895 nan 8.290 nan 0.000 0.514 185 G N -0.001 108.833 108.800 0.056 0.000 2.416 185 G HA2 0.728 4.689 3.960 0.001 0.000 0.329 185 G HA3 0.728 4.689 3.960 0.001 0.000 0.329 185 G C -0.287 174.568 174.900 -0.074 0.000 1.173 185 G CA 0.638 45.716 45.100 -0.037 0.000 0.929 185 G HN 0.806 nan 8.290 nan 0.000 0.475 186 T N -0.071 114.345 114.554 -0.230 0.000 2.930 186 T HA 0.661 5.012 4.350 0.001 0.000 0.290 186 T C -1.020 173.638 174.700 -0.069 0.000 1.052 186 T CA -0.658 61.391 62.100 -0.085 0.000 1.017 186 T CB 2.109 70.940 68.868 -0.062 0.000 1.137 186 T HN 0.466 nan 8.240 nan 0.000 0.511 187 L N 1.198 122.467 121.223 0.075 0.000 2.410 187 L HA 0.644 4.984 4.340 0.001 0.000 0.270 187 L C -0.791 176.178 176.870 0.166 0.000 0.983 187 L CA -0.441 54.495 54.840 0.160 0.000 0.822 187 L CB 1.862 44.046 42.059 0.208 0.000 1.285 187 L HN 0.832 nan 8.230 nan 0.000 0.409 188 E N 3.923 124.247 120.200 0.207 0.000 2.199 188 E HA 0.589 4.940 4.350 0.001 0.000 0.269 188 E C -1.845 174.917 176.600 0.269 0.000 0.899 188 E CA -0.755 55.794 56.400 0.248 0.000 0.772 188 E CB 1.491 31.380 29.700 0.315 0.000 1.155 188 E HN 0.503 nan 8.360 nan 0.000 0.408 189 L N 2.773 124.156 121.223 0.267 0.000 2.365 189 L HA 0.729 5.070 4.340 0.001 0.000 0.273 189 L C -0.011 177.045 176.870 0.310 0.000 1.000 189 L CA -0.400 54.583 54.840 0.239 0.000 0.819 189 L CB 1.860 44.043 42.059 0.208 0.000 1.284 189 L HN 0.654 nan 8.230 nan 0.000 0.418 190 G N 1.735 110.686 108.800 0.252 0.000 2.667 190 G HA2 0.671 4.631 3.960 0.001 0.000 0.298 190 G HA3 0.671 4.631 3.960 0.001 0.000 0.298 190 G C -2.011 173.047 174.900 0.262 0.000 1.377 190 G CA -0.464 44.850 45.100 0.356 0.000 0.964 190 G HN 0.309 nan 8.290 nan 0.000 0.493 191 V N 1.614 121.726 119.914 0.330 0.000 2.577 191 V HA 0.469 4.590 4.120 0.001 0.000 0.303 191 V C -1.335 174.917 176.094 0.264 0.000 1.042 191 V CA -0.820 61.667 62.300 0.313 0.000 0.872 191 V CB 2.081 34.177 31.823 0.455 0.000 0.998 191 V HN 0.733 nan 8.190 nan 0.000 0.423 192 D N 3.497 123.969 120.400 0.121 0.000 2.391 192 D HA 0.339 4.979 4.640 0.001 0.000 0.245 192 D C -1.501 174.726 176.300 -0.122 0.000 1.069 192 D CA -0.156 53.876 54.000 0.054 0.000 0.831 192 D CB 2.468 43.284 40.800 0.027 0.000 1.204 192 D HN 0.510 nan 8.370 nan 0.000 0.503 193 Y N 1.448 121.558 120.300 -0.317 0.000 2.338 193 Y HA 0.503 5.053 4.550 0.001 0.000 0.328 193 Y C -0.304 175.382 175.900 -0.355 0.000 0.965 193 Y CA -0.742 56.943 58.100 -0.693 0.000 1.208 193 Y CB 1.354 39.255 38.460 -0.931 0.000 1.132 193 Y HN 0.364 nan 8.280 nan 0.000 0.469 194 G N 5.575 113.783 108.800 -0.987 0.000 2.417 194 G HA2 0.694 4.655 3.960 0.001 0.000 0.334 194 G HA3 0.694 4.655 3.960 0.001 0.000 0.334 194 G C -1.556 172.829 174.900 -0.859 0.000 1.150 194 G CA -1.223 43.424 45.100 -0.754 0.000 0.923 194 G HN 0.844 nan 8.290 nan 0.000 0.485 195 R N 0.014 120.198 120.500 -0.526 0.000 2.561 195 R HA 0.677 5.017 4.340 0.001 0.000 0.266 195 R C -0.560 175.631 176.300 -0.182 0.000 1.091 195 R CA -0.809 55.089 56.100 -0.338 0.000 0.927 195 R CB 1.187 31.347 30.300 -0.234 0.000 1.240 195 R HN 0.781 nan 8.270 nan 0.000 0.449 196 A N 2.303 125.051 122.820 -0.120 0.000 2.477 196 A HA 0.195 4.515 4.320 0.001 0.000 0.246 196 A C -0.439 177.117 177.584 -0.047 0.000 1.078 196 A CA -0.257 51.731 52.037 -0.081 0.000 0.770 196 A CB 0.163 19.130 19.000 -0.055 0.000 1.011 196 A HN 0.732 nan 8.150 nan 0.000 0.494 197 N N 2.828 121.499 118.700 -0.048 0.000 2.706 197 N HA 0.352 5.093 4.740 0.001 0.000 0.240 197 N C -1.085 174.403 175.510 -0.036 0.000 1.039 197 N CA -0.280 52.755 53.050 -0.025 0.000 0.888 197 N CB -0.003 38.466 38.487 -0.030 0.000 1.128 197 N HN 0.548 nan 8.380 nan 0.000 0.512 198 L N 2.356 123.570 121.223 -0.015 0.000 2.416 198 L HA 0.314 4.654 4.340 0.001 0.000 0.272 198 L C 1.500 178.335 176.870 -0.058 0.000 1.161 198 L CA -0.349 54.479 54.840 -0.020 0.000 0.845 198 L CB 0.568 42.656 42.059 0.049 0.000 1.119 198 L HN 0.277 nan 8.230 nan 0.000 0.464 199 R N 1.092 121.474 120.500 -0.195 0.000 2.784 199 R HA -0.027 4.313 4.340 0.001 0.000 0.266 199 R C -0.300 175.976 176.300 -0.041 0.000 1.044 199 R CA -0.446 55.499 56.100 -0.258 0.000 1.151 199 R CB 0.311 30.177 30.300 -0.724 0.000 1.037 199 R HN 0.542 nan 8.270 nan 0.000 0.478 200 D N 1.401 121.806 120.400 0.008 0.000 2.450 200 D HA -0.073 4.567 4.640 0.001 0.000 0.247 200 D C 0.027 176.458 176.300 0.219 0.000 1.162 200 D CA 0.738 54.792 54.000 0.089 0.000 0.879 200 D CB 0.301 41.138 40.800 0.061 0.000 1.163 200 D HN 0.466 nan 8.370 nan 0.000 0.472 201 N N 1.471 120.289 118.700 0.197 0.000 2.925 201 N HA -0.224 4.516 4.740 0.001 0.000 0.244 201 N C -1.103 174.527 175.510 0.200 0.000 1.000 201 N CA 0.544 53.701 53.050 0.178 0.000 0.895 201 N CB -1.414 37.148 38.487 0.124 0.000 1.119 201 N HN 0.381 nan 8.380 nan 0.000 0.569 202 Y N 0.710 121.007 120.300 -0.005 0.000 2.453 202 Y HA 0.593 5.144 4.550 0.001 0.000 0.326 202 Y C 1.170 177.063 175.900 -0.012 0.000 1.186 202 Y CA -0.279 57.804 58.100 -0.028 0.000 1.200 202 Y CB 1.052 39.492 38.460 -0.032 0.000 1.247 202 Y HN -0.203 nan 8.280 nan 0.000 0.482 203 R N 1.400 121.949 120.500 0.082 0.000 2.744 203 R HA 0.609 4.949 4.340 0.001 0.000 0.279 203 R C -1.413 175.021 176.300 0.222 0.000 0.977 203 R CA -0.896 55.269 56.100 0.109 0.000 0.906 203 R CB 2.086 32.423 30.300 0.062 0.000 1.197 203 R HN 0.583 nan 8.270 nan 0.000 0.463 204 L N 1.645 122.987 121.223 0.199 0.000 2.387 204 L HA 0.420 4.760 4.340 0.001 0.000 0.266 204 L C 0.589 177.497 176.870 0.063 0.000 1.059 204 L CA -1.041 53.904 54.840 0.175 0.000 0.801 204 L CB 1.594 43.682 42.059 0.049 0.000 1.223 204 L HN 0.313 nan 8.230 nan 0.000 0.456 205 V N 0.656 120.398 119.914 -0.287 0.000 3.367 205 V HA -0.140 3.980 4.120 0.001 0.000 0.304 205 V C 0.108 176.065 176.094 -0.227 0.000 1.131 205 V CA 0.426 62.394 62.300 -0.553 0.000 1.233 205 V CB 0.613 32.073 31.823 -0.605 0.000 1.021 205 V HN 0.666 nan 8.190 nan 0.000 0.497 206 D N 1.472 121.753 120.400 -0.198 0.000 2.304 206 D HA 0.463 5.103 4.640 0.001 0.000 0.250 206 D C 0.866 177.103 176.300 -0.104 0.000 1.107 206 D CA 1.263 55.203 54.000 -0.101 0.000 0.885 206 D CB 1.163 41.922 40.800 -0.068 0.000 1.192 206 D HN 0.889 nan 8.370 nan 0.000 0.436 207 G N 1.995 110.754 108.800 -0.067 0.000 2.179 207 G HA2 -0.230 3.731 3.960 0.001 0.000 0.260 207 G HA3 -0.230 3.731 3.960 0.001 0.000 0.260 207 G C 0.564 175.417 174.900 -0.078 0.000 0.977 207 G CA 0.285 45.347 45.100 -0.062 0.000 0.641 207 G HN 0.856 nan 8.290 nan 0.000 0.533 208 A N 0.783 123.545 122.820 -0.097 0.000 2.567 208 A HA 0.562 4.882 4.320 0.001 0.000 0.240 208 A C 1.887 179.434 177.584 -0.062 0.000 1.053 208 A CA 1.394 53.368 52.037 -0.104 0.000 0.755 208 A CB 0.137 19.076 19.000 -0.102 0.000 0.978 208 A HN 1.791 nan 8.150 nan 0.000 0.507 209 S N 2.399 118.059 115.700 -0.066 0.000 2.387 209 S HA -0.262 4.208 4.470 0.001 0.000 0.230 209 S C 1.394 175.987 174.600 -0.011 0.000 1.035 209 S CA 1.485 59.668 58.200 -0.029 0.000 1.014 209 S CB -0.480 62.698 63.200 -0.036 0.000 0.836 209 S HN 0.916 nan 8.310 nan 0.000 0.466 210 K N 0.173 120.553 120.400 -0.033 0.000 4.770 210 K HA -0.263 4.057 4.320 0.001 0.000 0.417 210 K C -0.125 176.443 176.600 -0.054 0.000 0.474 210 K CA 2.145 58.416 56.287 -0.027 0.000 1.797 210 K CB -1.749 30.756 32.500 0.008 0.000 1.001 210 K HN 0.784 nan 8.250 nan 0.000 0.567 211 D N -1.371 119.004 120.400 -0.042 0.000 2.825 211 D HA 0.691 5.331 4.640 0.001 0.000 0.327 211 D C 0.018 176.263 176.300 -0.092 0.000 1.277 211 D CA 0.092 54.014 54.000 -0.131 0.000 0.950 211 D CB 1.230 41.977 40.800 -0.088 0.000 1.438 211 D HN 0.291 nan 8.370 nan 0.000 0.526 212 G N -2.376 106.287 108.800 -0.228 0.000 2.342 212 G HA2 0.465 4.425 3.960 0.001 0.000 0.297 212 G HA3 0.465 4.425 3.960 0.001 0.000 0.297 212 G C -2.346 172.337 174.900 -0.362 0.000 1.313 212 G CA -1.079 43.970 45.100 -0.085 0.000 0.830 212 G HN 0.330 nan 8.290 nan 0.000 0.506 213 W N -0.872 120.405 121.300 -0.038 0.000 3.032 213 W HA 0.716 5.376 4.660 0.001 0.000 0.335 213 W C -0.886 175.397 176.519 -0.393 0.000 1.154 213 W CA -0.763 56.449 57.345 -0.222 0.000 1.204 213 W CB 2.353 31.628 29.460 -0.307 0.000 1.416 213 W HN 0.494 nan 8.180 nan 0.000 0.521 214 L N 3.086 124.134 121.223 -0.292 0.000 2.381 214 L HA 0.729 5.070 4.340 0.001 0.000 0.274 214 L C -1.806 174.807 176.870 -0.429 0.000 0.988 214 L CA -1.031 53.644 54.840 -0.275 0.000 0.824 214 L CB 0.615 42.566 42.059 -0.178 0.000 1.263 214 L HN 0.266 nan 8.230 nan 0.000 0.410 215 F N 2.715 122.717 119.950 0.085 0.000 2.493 215 F HA 0.710 5.238 4.527 0.001 0.000 0.329 215 F C 0.310 176.037 175.800 -0.121 0.000 1.126 215 F CA -0.451 57.576 58.000 0.045 0.000 0.937 215 F CB 2.394 41.472 39.000 0.131 0.000 1.146 215 F HN 0.377 nan 8.300 nan 0.000 0.442 216 T N 2.396 116.878 114.554 -0.120 0.000 2.863 216 T HA 0.817 5.167 4.350 0.001 0.000 0.285 216 T C -1.029 173.589 174.700 -0.136 0.000 1.009 216 T CA -0.795 61.096 62.100 -0.348 0.000 0.989 216 T CB 1.752 69.927 68.868 -1.156 0.000 1.004 216 T HN 0.698 nan 8.240 nan 0.000 0.455 217 A N 2.623 125.412 122.820 -0.052 0.000 2.446 217 A HA 0.675 4.995 4.320 0.001 0.000 0.282 217 A C -0.708 176.948 177.584 0.120 0.000 1.102 217 A CA -0.660 51.423 52.037 0.078 0.000 0.737 217 A CB 1.012 20.076 19.000 0.106 0.000 1.212 217 A HN 0.780 nan 8.150 nan 0.000 0.434 218 E N 1.908 122.236 120.200 0.214 0.000 2.176 218 E HA 0.356 4.706 4.350 0.001 0.000 0.267 218 E C -1.311 175.470 176.600 0.303 0.000 0.893 218 E CA -0.539 56.026 56.400 0.274 0.000 0.761 218 E CB 1.011 30.945 29.700 0.389 0.000 1.133 218 E HN 0.769 nan 8.360 nan 0.000 0.409 219 H N 3.588 122.809 119.070 0.252 0.000 2.511 219 H HA 0.336 4.892 4.556 0.001 0.000 0.328 219 H C -1.326 174.133 175.328 0.218 0.000 1.044 219 H CA -0.363 55.825 56.048 0.232 0.000 1.212 219 H CB 1.298 31.213 29.762 0.255 0.000 1.428 219 H HN 0.414 nan 8.280 nan 0.000 0.483 220 T N 5.032 119.406 114.554 -0.300 0.000 2.771 220 T HA 0.134 4.484 4.350 0.001 0.000 0.281 220 T C -0.178 174.376 174.700 -0.243 0.000 0.982 220 T CA -0.660 61.365 62.100 -0.125 0.000 0.978 220 T CB 1.477 70.301 68.868 -0.072 0.000 0.930 220 T HN 0.506 nan 8.240 nan 0.000 0.447 221 Q N 2.187 122.012 119.800 0.041 0.000 2.325 221 Q HA 0.477 4.818 4.340 0.001 0.000 0.270 221 Q C -0.343 175.747 176.000 0.150 0.000 1.020 221 Q CA -0.377 55.498 55.803 0.120 0.000 0.785 221 Q CB 1.650 30.558 28.738 0.283 0.000 1.259 221 Q HN 0.623 nan 8.270 nan 0.000 0.452 222 S N 2.967 118.733 115.700 0.110 0.000 2.516 222 S HA 0.614 5.085 4.470 0.001 0.000 0.282 222 S C -0.778 173.888 174.600 0.110 0.000 1.286 222 S CA -0.180 58.091 58.200 0.117 0.000 1.066 222 S CB -0.044 63.203 63.200 0.077 0.000 0.884 222 S HN 0.488 nan 8.310 nan 0.000 0.491 223 V N 6.002 125.984 119.914 0.114 0.000 3.000 223 V HA 0.335 4.455 4.120 0.001 0.000 0.300 223 V C -0.028 176.116 176.094 0.084 0.000 1.251 223 V CA -0.959 61.395 62.300 0.089 0.000 0.972 223 V CB 1.715 33.592 31.823 0.090 0.000 1.065 223 V HN 0.973 nan 8.190 nan 0.000 0.431 224 L N 3.501 124.764 121.223 0.067 0.000 3.829 224 L HA -0.275 4.065 4.340 0.001 0.000 0.440 224 L C 1.124 178.042 176.870 0.081 0.000 1.192 224 L CA 1.098 55.977 54.840 0.064 0.000 0.848 224 L CB -1.306 40.789 42.059 0.060 0.000 1.744 224 L HN 1.010 nan 8.230 nan 0.000 0.920 225 K N -2.534 117.916 120.400 0.083 0.000 3.209 225 K HA -0.200 4.121 4.320 0.001 0.000 0.289 225 K C 0.723 177.401 176.600 0.130 0.000 1.191 225 K CA 0.905 57.248 56.287 0.094 0.000 0.851 225 K CB -1.375 31.177 32.500 0.087 0.000 1.242 225 K HN 0.784 nan 8.250 nan 0.000 0.480 226 G N -0.133 108.750 108.800 0.138 0.000 3.107 226 G HA2 0.768 4.729 3.960 0.001 0.000 0.233 226 G HA3 0.768 4.729 3.960 0.001 0.000 0.233 226 G C -1.076 173.954 174.900 0.215 0.000 1.168 226 G CA -0.396 44.812 45.100 0.180 0.000 0.801 226 G HN 0.244 nan 8.290 nan 0.000 0.605 227 F N -1.188 118.832 119.950 0.117 0.000 2.685 227 F HA 0.764 5.291 4.527 0.001 0.000 0.315 227 F C -1.180 174.680 175.800 0.100 0.000 1.126 227 F CA -1.510 56.534 58.000 0.074 0.000 0.950 227 F CB 2.113 41.120 39.000 0.012 0.000 1.360 227 F HN 0.529 nan 8.300 nan 0.000 0.469 228 N N 1.406 120.190 118.700 0.140 0.000 2.397 228 N HA 0.330 5.070 4.740 0.001 0.000 0.291 228 N C -2.113 173.557 175.510 0.268 0.000 1.065 228 N CA -0.547 52.565 53.050 0.103 0.000 0.884 228 N CB 2.472 41.083 38.487 0.208 0.000 1.551 228 N HN 0.816 nan 8.380 nan 0.000 0.487 229 K N 2.361 122.860 120.400 0.164 0.000 2.259 229 K HA 0.406 4.726 4.320 0.001 0.000 0.252 229 K C -1.334 175.430 176.600 0.275 0.000 0.936 229 K CA -0.689 55.719 56.287 0.203 0.000 0.810 229 K CB 2.180 34.731 32.500 0.084 0.000 1.143 229 K HN 0.400 nan 8.250 nan 0.000 0.427 230 F N 2.635 122.704 119.950 0.199 0.000 2.507 230 F HA 0.371 4.898 4.527 0.001 0.000 0.328 230 F C -1.210 174.683 175.800 0.155 0.000 1.136 230 F CA -0.726 57.377 58.000 0.171 0.000 0.930 230 F CB 1.095 40.192 39.000 0.162 0.000 1.166 230 F HN 0.142 nan 8.300 nan 0.000 0.436 231 V N 5.957 125.535 119.914 -0.560 0.000 2.715 231 V HA 0.744 4.864 4.120 0.001 0.000 0.310 231 V C -0.904 174.823 176.094 -0.612 0.000 1.054 231 V CA -0.982 61.058 62.300 -0.434 0.000 0.928 231 V CB 1.736 33.353 31.823 -0.344 0.000 1.007 231 V HN 0.573 nan 8.190 nan 0.000 0.437 232 V N 3.764 123.480 119.914 -0.329 0.000 2.612 232 V HA 0.510 4.631 4.120 0.001 0.000 0.301 232 V C -0.646 175.399 176.094 -0.083 0.000 1.059 232 V CA -0.417 61.761 62.300 -0.203 0.000 0.886 232 V CB 1.752 33.514 31.823 -0.101 0.000 1.007 232 V HN 1.001 nan 8.190 nan 0.000 0.426 233 Q N 2.947 122.721 119.800 -0.043 0.000 2.423 233 Q HA 0.667 5.007 4.340 0.001 0.000 0.278 233 Q C -1.906 174.183 176.000 0.148 0.000 1.097 233 Q CA -0.900 54.910 55.803 0.012 0.000 0.809 233 Q CB 3.490 32.185 28.738 -0.072 0.000 1.391 233 Q HN 0.730 nan 8.270 nan 0.000 0.428 234 Y N 0.401 120.752 120.300 0.085 0.000 2.332 234 Y HA 0.657 5.208 4.550 0.001 0.000 0.325 234 Y C -1.744 174.283 175.900 0.212 0.000 1.054 234 Y CA -0.526 57.669 58.100 0.159 0.000 1.119 234 Y CB 1.134 39.710 38.460 0.193 0.000 1.168 234 Y HN 0.746 nan 8.280 nan 0.000 0.439 235 A N 3.488 126.071 122.820 -0.395 0.000 2.322 235 A HA 0.889 5.209 4.320 0.001 0.000 0.327 235 A C -0.886 176.457 177.584 -0.402 0.000 1.134 235 A CA -0.725 51.141 52.037 -0.285 0.000 0.831 235 A CB 1.508 20.421 19.000 -0.145 0.000 1.288 235 A HN 0.633 nan 8.150 nan 0.000 0.472 236 T N 1.409 115.902 114.554 -0.101 0.000 2.879 236 T HA 0.517 4.868 4.350 0.001 0.000 0.290 236 T C -0.422 174.338 174.700 0.101 0.000 0.993 236 T CA 0.137 62.265 62.100 0.047 0.000 0.975 236 T CB 0.871 69.896 68.868 0.260 0.000 0.981 236 T HN 0.819 nan 8.240 nan 0.000 0.439 237 D N 1.855 122.334 120.400 0.132 0.000 4.072 237 D HA -0.267 4.373 4.640 0.001 0.000 0.146 237 D C 1.760 178.115 176.300 0.091 0.000 0.777 237 D CA 2.190 56.268 54.000 0.131 0.000 1.099 237 D CB -1.453 39.415 40.800 0.114 0.000 0.497 237 D HN 0.666 nan 8.370 nan 0.000 0.483 238 S N -0.299 115.415 115.700 0.022 0.000 2.537 238 S HA -0.099 4.371 4.470 0.001 0.000 0.240 238 S C 1.538 176.114 174.600 -0.040 0.000 0.981 238 S CA 1.205 59.387 58.200 -0.030 0.000 0.948 238 S CB -0.124 63.026 63.200 -0.083 0.000 0.759 238 S HN 0.388 nan 8.310 nan 0.000 0.531 239 M N 1.767 121.351 119.600 -0.027 0.000 2.371 239 M HA 0.124 4.604 4.480 0.001 0.000 0.246 239 M C 1.828 178.128 176.300 0.000 0.000 1.103 239 M CA 0.925 56.197 55.300 -0.046 0.000 1.010 239 M CB -0.445 32.102 32.600 -0.088 0.000 1.457 239 M HN 0.667 nan 8.290 nan 0.000 0.486 240 T N -2.150 112.447 114.554 0.071 0.000 3.014 240 T HA -0.002 4.349 4.350 0.001 0.000 0.263 240 T C 1.885 176.683 174.700 0.163 0.000 1.078 240 T CA 1.308 63.462 62.100 0.090 0.000 1.135 240 T CB -0.237 68.724 68.868 0.155 0.000 0.895 240 T HN 0.325 nan 8.240 nan 0.000 0.480 241 S N 1.530 117.380 115.700 0.250 0.000 2.345 241 S HA -0.092 4.379 4.470 0.001 0.000 0.219 241 S C 2.192 176.865 174.600 0.121 0.000 1.031 241 S CA 0.664 59.027 58.200 0.272 0.000 0.984 241 S CB -0.602 62.705 63.200 0.179 0.000 0.874 241 S HN 0.452 nan 8.310 nan 0.000 0.451 242 Q N 1.580 121.412 119.800 0.054 0.000 2.096 242 Q HA 0.062 4.402 4.340 0.001 0.000 0.197 242 Q C 1.333 177.351 176.000 0.030 0.000 0.964 242 Q CA 1.003 56.818 55.803 0.020 0.000 0.838 242 Q CB -0.608 28.119 28.738 -0.018 0.000 0.906 242 Q HN 0.722 nan 8.270 nan 0.000 0.444 243 G N 1.758 110.571 108.800 0.022 0.000 2.305 243 G HA2 -0.278 3.683 3.960 0.001 0.000 0.287 243 G HA3 -0.278 3.683 3.960 0.001 0.000 0.287 243 G C 0.285 175.199 174.900 0.023 0.000 1.036 243 G CA 0.974 46.087 45.100 0.021 0.000 0.887 243 G HN 0.442 nan 8.290 nan 0.000 0.505 244 K N -1.643 118.759 120.400 0.003 0.000 2.603 244 K HA 0.429 4.749 4.320 0.001 0.000 0.202 244 K C 1.472 178.115 176.600 0.072 0.000 1.279 244 K CA 0.275 56.573 56.287 0.019 0.000 1.056 244 K CB 1.290 33.777 32.500 -0.022 0.000 1.062 244 K HN 1.199 nan 8.250 nan 0.000 0.606 245 G N 1.227 110.043 108.800 0.027 0.000 2.296 245 G HA2 -0.163 3.797 3.960 0.001 0.000 0.188 245 G HA3 -0.163 3.797 3.960 0.001 0.000 0.188 245 G C -0.138 174.745 174.900 -0.027 0.000 1.000 245 G CA -0.581 44.549 45.100 0.050 0.000 0.672 245 G HN 0.041 nan 8.290 nan 0.000 0.483 246 L N 1.798 122.991 121.223 -0.049 0.000 2.334 246 L HA 0.692 5.032 4.340 0.001 0.000 0.277 246 L C 0.605 177.411 176.870 -0.107 0.000 1.075 246 L CA -0.493 54.295 54.840 -0.088 0.000 0.804 246 L CB 1.750 43.761 42.059 -0.080 0.000 1.174 246 L HN 0.216 nan 8.230 nan 0.000 0.438 247 S N 2.322 117.935 115.700 -0.145 0.000 2.489 247 S HA 0.369 4.840 4.470 0.001 0.000 0.291 247 S C -0.489 174.037 174.600 -0.123 0.000 1.151 247 S CA -0.541 57.566 58.200 -0.155 0.000 1.082 247 S CB 0.966 64.028 63.200 -0.230 0.000 1.019 247 S HN 0.645 nan 8.310 nan 0.000 0.492 248 Q N 3.317 123.054 119.800 -0.104 0.000 3.122 248 Q HA 0.289 4.630 4.340 0.001 0.000 0.282 248 Q C 0.819 176.761 176.000 -0.097 0.000 0.947 248 Q CA -0.455 55.293 55.803 -0.092 0.000 0.812 248 Q CB 0.962 29.654 28.738 -0.077 0.000 1.333 248 Q HN 0.916 nan 8.270 nan 0.000 0.430 249 G N 0.263 109.002 108.800 -0.101 0.000 2.813 249 G HA2 -0.154 3.807 3.960 0.001 0.000 0.209 249 G HA3 -0.154 3.807 3.960 0.001 0.000 0.209 249 G C 1.371 176.220 174.900 -0.085 0.000 1.150 249 G CA 0.743 45.788 45.100 -0.092 0.000 0.785 249 G HN 0.520 nan 8.290 nan 0.000 0.535 250 S N -0.349 115.300 115.700 -0.086 0.000 2.395 250 S HA 0.272 4.743 4.470 0.001 0.000 0.225 250 S C 2.119 176.634 174.600 -0.142 0.000 1.027 250 S CA 1.292 59.441 58.200 -0.085 0.000 0.965 250 S CB -0.352 62.819 63.200 -0.048 0.000 0.812 250 S HN 1.409 nan 8.310 nan 0.000 0.482 251 G N 0.322 109.019 108.800 -0.171 0.000 2.162 251 G HA2 -0.220 3.740 3.960 0.001 0.000 0.260 251 G HA3 -0.220 3.740 3.960 0.001 0.000 0.260 251 G C 0.052 174.777 174.900 -0.291 0.000 0.976 251 G CA 0.267 45.228 45.100 -0.231 0.000 0.655 251 G HN 0.808 nan 8.290 nan 0.000 0.533 252 V N 0.344 120.075 119.914 -0.304 0.000 2.532 252 V HA 0.884 5.005 4.120 0.001 0.000 0.295 252 V C 0.564 176.307 176.094 -0.584 0.000 1.041 252 V CA 0.036 62.069 62.300 -0.445 0.000 0.926 252 V CB 1.605 33.203 31.823 -0.376 0.000 0.992 252 V HN 1.257 nan 8.190 nan 0.000 0.457 253 A N 3.646 125.929 122.820 -0.894 0.000 2.527 253 A HA 0.975 5.295 4.320 0.001 0.000 0.293 253 A C -1.535 175.390 177.584 -1.099 0.000 1.117 253 A CA -0.489 51.000 52.037 -0.913 0.000 0.723 253 A CB 1.559 19.886 19.000 -1.121 0.000 1.313 253 A HN 0.580 nan 8.150 nan 0.000 0.411 254 F N 0.797 120.656 119.950 -0.152 0.000 2.551 254 F HA 0.433 4.961 4.527 0.001 0.000 0.316 254 F C 0.233 176.248 175.800 0.360 0.000 1.089 254 F CA -0.629 57.455 58.000 0.140 0.000 0.915 254 F CB 1.965 41.012 39.000 0.079 0.000 1.186 254 F HN 0.733 nan 8.300 nan 0.000 0.456 255 D N 0.111 120.892 120.400 0.635 0.000 2.414 255 D HA 0.079 4.720 4.640 0.001 0.000 0.251 255 D C 0.237 176.729 176.300 0.320 0.000 1.252 255 D CA -0.405 53.875 54.000 0.467 0.000 0.999 255 D CB 0.314 41.165 40.800 0.086 0.000 1.093 255 D HN 0.567 nan 8.370 nan 0.000 0.515 256 N N -1.098 117.747 118.700 0.240 0.000 2.520 256 N HA -0.085 4.655 4.740 0.001 0.000 0.185 256 N C 0.296 175.887 175.510 0.136 0.000 1.068 256 N CA 0.516 53.662 53.050 0.159 0.000 0.911 256 N CB 0.050 38.611 38.487 0.123 0.000 0.961 256 N HN 0.468 nan 8.380 nan 0.000 0.446 257 E N 0.535 120.851 120.200 0.192 0.000 2.423 257 E HA 0.100 4.451 4.350 0.001 0.000 0.198 257 E C -0.204 176.411 176.600 0.025 0.000 1.038 257 E CA -0.099 56.406 56.400 0.175 0.000 1.011 257 E CB 0.354 30.263 29.700 0.350 0.000 1.118 257 E HN 0.058 nan 8.360 nan 0.000 0.451 258 K N -0.448 119.982 120.400 0.049 0.000 3.274 258 K HA -0.198 4.122 4.320 0.001 0.000 0.300 258 K C -0.667 175.954 176.600 0.035 0.000 1.230 258 K CA 0.802 57.070 56.287 -0.033 0.000 0.884 258 K CB -1.940 30.444 32.500 -0.194 0.000 1.242 258 K HN 0.185 nan 8.250 nan 0.000 0.467 259 F N 1.098 121.231 119.950 0.304 0.000 2.438 259 F HA 0.352 4.880 4.527 0.001 0.000 0.356 259 F C 1.342 177.468 175.800 0.542 0.000 1.099 259 F CA -0.160 58.084 58.000 0.406 0.000 1.185 259 F CB 0.796 39.937 39.000 0.236 0.000 1.115 259 F HN 0.063 nan 8.300 nan 0.000 0.526 260 A N 4.697 127.943 122.820 0.709 0.000 2.386 260 A HA 0.531 4.851 4.320 0.001 0.000 0.248 260 A C -1.055 176.590 177.584 0.102 0.000 1.082 260 A CA -0.106 51.972 52.037 0.068 0.000 0.789 260 A CB 0.031 19.014 19.000 -0.028 0.000 1.025 260 A HN 0.820 nan 8.150 nan 0.000 0.490 261 Y N -0.569 119.571 120.300 -0.267 0.000 2.670 261 Y HA 0.594 5.145 4.550 0.001 0.000 0.334 261 Y C -0.816 174.957 175.900 -0.212 0.000 1.185 261 Y CA -1.502 56.499 58.100 -0.164 0.000 1.053 261 Y CB 1.245 39.718 38.460 0.020 0.000 1.298 261 Y HN 0.459 nan 8.280 nan 0.000 0.459 262 N N 2.604 121.332 118.700 0.046 0.000 2.589 262 N HA 0.261 5.001 4.740 0.001 0.000 0.232 262 N C -0.464 174.982 175.510 -0.107 0.000 1.015 262 N CA -0.435 52.545 53.050 -0.118 0.000 0.931 262 N CB 0.577 38.985 38.487 -0.131 0.000 1.150 262 N HN 0.812 nan 8.380 nan 0.000 0.512 263 I N -0.057 120.373 120.570 -0.234 0.000 3.585 263 I HA 0.229 4.400 4.170 0.001 0.000 0.325 263 I C 0.589 176.464 176.117 -0.405 0.000 1.370 263 I CA -0.723 60.413 61.300 -0.272 0.000 1.298 263 I CB -0.567 37.255 38.000 -0.297 0.000 1.387 263 I HN 0.103 nan 8.210 nan 0.000 0.466 264 N N 4.084 122.568 118.700 -0.360 0.000 2.236 264 N HA -0.159 4.582 4.740 0.001 0.000 0.274 264 N C 0.469 175.601 175.510 -0.630 0.000 1.339 264 N CA 0.684 53.506 53.050 -0.380 0.000 0.845 264 N CB 0.264 38.590 38.487 -0.268 0.000 1.091 264 N HN 0.793 nan 8.380 nan 0.000 0.489 265 N N 1.820 120.199 118.700 -0.535 0.000 2.238 265 N HA 0.010 4.750 4.740 0.001 0.000 0.222 265 N C -0.658 174.755 175.510 -0.162 0.000 1.133 265 N CA -0.575 52.079 53.050 -0.659 0.000 0.854 265 N CB 0.150 38.473 38.487 -0.275 0.000 1.041 265 N HN 0.322 nan 8.380 nan 0.000 0.510 266 N N 1.306 119.946 118.700 -0.100 0.000 2.458 266 N HA 0.188 4.928 4.740 0.001 0.000 0.258 266 N C 0.600 176.261 175.510 0.251 0.000 1.219 266 N CA 1.200 54.296 53.050 0.077 0.000 0.902 266 N CB 1.373 39.883 38.487 0.039 0.000 1.076 266 N HN 0.565 nan 8.380 nan 0.000 0.455 267 G N 0.607 109.567 108.800 0.268 0.000 2.334 267 G HA2 0.052 4.012 3.960 0.001 0.000 0.249 267 G HA3 0.052 4.012 3.960 0.001 0.000 0.249 267 G C -1.742 173.264 174.900 0.177 0.000 1.327 267 G CA -0.715 44.541 45.100 0.261 0.000 0.979 267 G HN 0.834 nan 8.290 nan 0.000 0.471 268 H N -1.323 117.756 119.070 0.016 0.000 3.014 268 H HA 0.743 5.299 4.556 0.001 0.000 0.337 268 H C -1.395 173.803 175.328 -0.218 0.000 1.320 268 H CA -0.757 55.214 56.048 -0.128 0.000 1.128 268 H CB 1.562 31.278 29.762 -0.076 0.000 1.862 268 H HN 0.930 nan 8.280 nan 0.000 0.536 269 M N 2.431 121.911 119.600 -0.201 0.000 2.457 269 M HA 0.471 4.951 4.480 0.001 0.000 0.300 269 M C -2.115 174.192 176.300 0.013 0.000 1.141 269 M CA -1.185 54.011 55.300 -0.173 0.000 0.901 269 M CB 2.626 35.106 32.600 -0.199 0.000 1.687 269 M HN 0.564 nan 8.290 nan 0.000 0.449 270 L N 4.742 126.006 121.223 0.069 0.000 2.376 270 L HA 0.633 4.973 4.340 0.001 0.000 0.275 270 L C -1.397 175.466 176.870 -0.012 0.000 0.987 270 L CA -0.133 54.797 54.840 0.150 0.000 0.828 270 L CB 1.562 43.771 42.059 0.249 0.000 1.249 270 L HN 0.850 nan 8.230 nan 0.000 0.409 271 R N 5.579 126.076 120.500 -0.007 0.000 2.480 271 R HA 0.700 5.041 4.340 0.001 0.000 0.306 271 R C -1.697 174.555 176.300 -0.081 0.000 0.958 271 R CA -0.578 55.473 56.100 -0.081 0.000 0.861 271 R CB 1.257 31.522 30.300 -0.059 0.000 1.171 271 R HN 0.766 nan 8.270 nan 0.000 0.445 272 I N 5.876 126.391 120.570 -0.092 0.000 2.439 272 I HA 0.334 4.504 4.170 0.001 0.000 0.283 272 I C -0.808 175.219 176.117 -0.151 0.000 1.023 272 I CA -0.500 60.725 61.300 -0.126 0.000 1.100 272 I CB 1.856 39.867 38.000 0.018 0.000 1.238 272 I HN 0.426 nan 8.210 nan 0.000 0.445 273 L N 5.939 126.999 121.223 -0.273 0.000 2.362 273 L HA 0.623 4.963 4.340 0.001 0.000 0.271 273 L C -1.404 175.416 176.870 -0.083 0.000 1.002 273 L CA -0.371 54.362 54.840 -0.177 0.000 0.818 273 L CB 2.115 44.005 42.059 -0.283 0.000 1.298 273 L HN 0.566 nan 8.230 nan 0.000 0.420 274 D N 2.503 122.986 120.400 0.139 0.000 2.763 274 D HA 0.341 4.982 4.640 0.001 0.000 0.235 274 D C -1.570 174.948 176.300 0.363 0.000 1.334 274 D CA -0.225 53.955 54.000 0.298 0.000 0.950 274 D CB 1.367 42.420 40.800 0.422 0.000 1.433 274 D HN 0.756 nan 8.370 nan 0.000 0.580 275 H N 0.642 119.802 119.070 0.149 0.000 2.977 275 H HA 0.860 5.416 4.556 0.001 0.000 0.350 275 H C -0.359 174.796 175.328 -0.289 0.000 1.238 275 H CA -0.845 55.155 56.048 -0.080 0.000 1.124 275 H CB 2.166 31.941 29.762 0.022 0.000 1.866 275 H HN 0.518 nan 8.280 nan 0.000 0.550 276 G N -0.799 107.443 108.800 -0.930 0.000 2.320 276 G HA2 0.561 4.521 3.960 0.001 0.000 0.296 276 G HA3 0.561 4.521 3.960 0.001 0.000 0.296 276 G C -1.946 172.372 174.900 -0.969 0.000 1.306 276 G CA -0.471 43.950 45.100 -1.131 0.000 0.836 276 G HN 1.112 nan 8.290 nan 0.000 0.517 277 A N -0.194 122.154 122.820 -0.788 0.000 2.398 277 A HA 0.863 5.183 4.320 0.001 0.000 0.301 277 A C -0.475 177.088 177.584 -0.035 0.000 1.041 277 A CA -0.443 51.484 52.037 -0.183 0.000 0.711 277 A CB 0.925 20.014 19.000 0.149 0.000 1.240 277 A HN 1.920 nan 8.150 nan 0.000 0.420 278 I N -0.988 119.647 120.570 0.109 0.000 2.647 278 I HA 0.750 4.921 4.170 0.001 0.000 0.295 278 I C -0.543 175.652 176.117 0.129 0.000 1.078 278 I CA -0.614 60.759 61.300 0.122 0.000 1.048 278 I CB 2.464 40.542 38.000 0.129 0.000 1.239 278 I HN 0.311 nan 8.210 nan 0.000 0.421 279 S N 6.169 121.942 115.700 0.122 0.000 2.462 279 S HA 0.626 5.096 4.470 0.001 0.000 0.294 279 S C -0.291 174.373 174.600 0.106 0.000 1.144 279 S CA -0.686 57.588 58.200 0.124 0.000 1.088 279 S CB 1.351 64.619 63.200 0.114 0.000 1.009 279 S HN 0.606 nan 8.310 nan 0.000 0.484 280 M N 3.538 123.214 119.600 0.126 0.000 2.065 280 M HA 0.468 4.948 4.480 0.001 0.000 0.308 280 M C 0.620 176.992 176.300 0.120 0.000 0.939 280 M CA -0.203 55.147 55.300 0.083 0.000 0.890 280 M CB 0.650 33.260 32.600 0.017 0.000 1.383 280 M HN 1.007 nan 8.290 nan 0.000 0.381 281 G N 1.420 110.278 108.800 0.097 0.000 2.482 281 G HA2 -0.178 3.783 3.960 0.001 0.000 0.214 281 G HA3 -0.178 3.783 3.960 0.001 0.000 0.214 281 G C -0.307 174.648 174.900 0.092 0.000 1.271 281 G CA -0.253 44.909 45.100 0.102 0.000 0.944 281 G HN 0.539 nan 8.290 nan 0.000 0.568 282 D N 0.292 120.740 120.400 0.080 0.000 2.422 282 D HA 0.089 4.729 4.640 0.001 0.000 0.218 282 D C 1.682 177.951 176.300 -0.051 0.000 1.047 282 D CA 0.270 54.281 54.000 0.018 0.000 0.885 282 D CB 0.119 40.922 40.800 0.005 0.000 1.035 282 D HN 0.290 nan 8.370 nan 0.000 0.502 283 N N -0.377 118.299 118.700 -0.039 0.000 2.236 283 N HA 0.038 4.778 4.740 0.001 0.000 0.196 283 N C -0.568 174.580 175.510 -0.604 0.000 1.114 283 N CA 0.118 52.940 53.050 -0.379 0.000 0.859 283 N CB 0.888 39.126 38.487 -0.416 0.000 0.982 283 N HN 0.143 nan 8.380 nan 0.000 0.493 284 W N 0.479 121.721 121.300 -0.097 0.000 3.022 284 W HA 0.405 5.065 4.660 0.001 0.000 0.335 284 W C -0.794 175.708 176.519 -0.028 0.000 1.133 284 W CA -0.574 56.743 57.345 -0.045 0.000 1.219 284 W CB 1.343 30.812 29.460 0.014 0.000 1.409 284 W HN -0.262 nan 8.180 nan 0.000 0.507 285 D N 2.217 122.766 120.400 0.247 0.000 2.601 285 D HA 0.718 5.358 4.640 0.001 0.000 0.230 285 D C -1.202 175.213 176.300 0.192 0.000 1.106 285 D CA -0.672 53.423 54.000 0.159 0.000 0.873 285 D CB 2.149 42.982 40.800 0.056 0.000 1.515 285 D HN 0.421 nan 8.370 nan 0.000 0.468 286 M N 2.421 122.109 119.600 0.146 0.000 2.307 286 M HA 0.347 4.828 4.480 0.001 0.000 0.279 286 M C -1.951 174.431 176.300 0.137 0.000 1.080 286 M CA -0.494 54.899 55.300 0.155 0.000 0.964 286 M CB 1.334 34.046 32.600 0.187 0.000 1.825 286 M HN 0.405 nan 8.290 nan 0.000 0.489 287 M N 3.586 123.233 119.600 0.078 0.000 2.598 287 M HA 0.787 5.268 4.480 0.001 0.000 0.317 287 M C -1.477 174.907 176.300 0.140 0.000 1.201 287 M CA -0.786 54.515 55.300 0.002 0.000 0.971 287 M CB 1.426 33.954 32.600 -0.120 0.000 1.657 287 M HN 0.674 nan 8.290 nan 0.000 0.470 288 Y N -0.998 119.364 120.300 0.105 0.000 2.552 288 Y HA 0.822 5.373 4.550 0.001 0.000 0.337 288 Y C -1.738 174.282 175.900 0.199 0.000 1.094 288 Y CA -1.473 56.709 58.100 0.137 0.000 1.028 288 Y CB 0.847 39.360 38.460 0.089 0.000 1.321 288 Y HN 0.623 nan 8.280 nan 0.000 0.456 289 V N 0.046 120.161 119.914 0.333 0.000 3.040 289 V HA 1.044 5.165 4.120 0.001 0.000 0.312 289 V C -0.241 176.036 176.094 0.304 0.000 1.115 289 V CA -0.617 61.856 62.300 0.287 0.000 0.998 289 V CB 1.721 33.672 31.823 0.213 0.000 1.042 289 V HN 1.427 nan 8.190 nan 0.000 0.433 290 G N 2.077 111.024 108.800 0.246 0.000 2.668 290 G HA2 0.660 4.620 3.960 0.001 0.000 0.284 290 G HA3 0.660 4.620 3.960 0.001 0.000 0.284 290 G C -1.392 173.584 174.900 0.127 0.000 1.456 290 G CA -0.438 44.792 45.100 0.217 0.000 1.214 290 G HN 0.856 nan 8.290 nan 0.000 0.568 291 M N 2.598 122.224 119.600 0.043 0.000 2.520 291 M HA 0.718 5.198 4.480 0.001 0.000 0.283 291 M C -2.383 173.809 176.300 -0.179 0.000 1.237 291 M CA -1.146 54.082 55.300 -0.120 0.000 0.885 291 M CB 2.911 35.302 32.600 -0.348 0.000 1.727 291 M HN 0.579 nan 8.290 nan 0.000 0.468 292 Y N 2.921 122.967 120.300 -0.424 0.000 2.327 292 Y HA 0.507 5.058 4.550 0.001 0.000 0.325 292 Y C -1.668 173.921 175.900 -0.518 0.000 0.999 292 Y CA -0.323 57.319 58.100 -0.764 0.000 1.195 292 Y CB 1.431 39.228 38.460 -1.104 0.000 1.132 292 Y HN 0.738 nan 8.280 nan 0.000 0.455 293 Q N 4.904 124.079 119.800 -1.041 0.000 2.331 293 Q HA 0.339 4.680 4.340 0.001 0.000 0.267 293 Q C -1.912 173.649 176.000 -0.732 0.000 1.006 293 Q CA -0.766 54.638 55.803 -0.664 0.000 0.818 293 Q CB 1.411 30.030 28.738 -0.199 0.000 1.276 293 Q HN 0.789 nan 8.270 nan 0.000 0.450 294 D N 4.849 124.887 120.400 -0.604 0.000 2.454 294 D HA 0.294 4.934 4.640 0.001 0.000 0.247 294 D C -1.007 175.094 176.300 -0.331 0.000 1.129 294 D CA -0.349 53.400 54.000 -0.419 0.000 0.877 294 D CB 0.674 41.310 40.800 -0.274 0.000 1.082 294 D HN 0.514 nan 8.370 nan 0.000 0.537 295 I N 3.532 123.863 120.570 -0.398 0.000 2.297 295 I HA 0.267 4.437 4.170 0.001 0.000 0.291 295 I C 0.003 175.715 176.117 -0.675 0.000 1.033 295 I CA -0.631 60.292 61.300 -0.628 0.000 1.253 295 I CB 0.903 38.420 38.000 -0.805 0.000 1.396 295 I HN 0.357 nan 8.210 nan 0.000 0.476 296 N N 6.843 125.111 118.700 -0.720 0.000 2.511 296 N HA 0.285 5.025 4.740 0.001 0.000 0.249 296 N C -1.168 174.117 175.510 -0.375 0.000 0.971 296 N CA -0.575 52.173 53.050 -0.504 0.000 0.938 296 N CB 1.030 39.202 38.487 -0.524 0.000 1.131 296 N HN 0.356 nan 8.380 nan 0.000 0.505 297 W N 1.874 123.090 121.300 -0.139 0.000 2.578 297 W HA 0.281 4.942 4.660 0.001 0.000 0.346 297 W C 0.836 177.320 176.519 -0.059 0.000 1.075 297 W CA -0.688 56.600 57.345 -0.095 0.000 1.233 297 W CB 1.224 30.638 29.460 -0.076 0.000 1.358 297 W HN 0.532 nan 8.180 nan 0.000 0.574 298 D N 0.762 121.315 120.400 0.255 0.000 2.178 298 D HA -0.198 4.442 4.640 0.001 0.000 0.201 298 D C 1.491 177.832 176.300 0.070 0.000 0.980 298 D CA 1.602 55.673 54.000 0.118 0.000 0.842 298 D CB -0.202 40.643 40.800 0.074 0.000 0.948 298 D HN 0.395 nan 8.370 nan 0.000 0.472 299 N N -0.055 118.675 118.700 0.050 0.000 2.461 299 N HA -0.069 4.672 4.740 0.001 0.000 0.188 299 N C -0.285 175.244 175.510 0.032 0.000 1.134 299 N CA 0.434 53.484 53.050 0.001 0.000 0.878 299 N CB 0.142 38.582 38.487 -0.077 0.000 0.972 299 N HN -0.124 nan 8.380 nan 0.000 0.456 300 D N -2.283 118.168 120.400 0.085 0.000 3.079 300 D HA -0.188 4.452 4.640 0.001 0.000 0.214 300 D C -0.072 176.251 176.300 0.038 0.000 1.145 300 D CA 0.857 54.883 54.000 0.045 0.000 0.958 300 D CB -1.533 39.259 40.800 -0.014 0.000 1.117 300 D HN 0.394 nan 8.370 nan 0.000 0.416 301 N N -0.312 118.482 118.700 0.156 0.000 2.235 301 N HA 0.247 4.988 4.740 0.001 0.000 0.209 301 N C 0.973 176.653 175.510 0.284 0.000 1.122 301 N CA 0.715 53.857 53.050 0.154 0.000 0.845 301 N CB 0.181 38.757 38.487 0.148 0.000 1.004 301 N HN 0.328 nan 8.380 nan 0.000 0.499 302 G N -0.667 108.265 108.800 0.220 0.000 2.527 302 G HA2 0.300 4.260 3.960 0.001 0.000 0.279 302 G HA3 0.300 4.260 3.960 0.001 0.000 0.279 302 G C -0.282 174.537 174.900 -0.136 0.000 1.374 302 G CA 0.334 45.337 45.100 -0.161 0.000 1.053 302 G HN 0.303 nan 8.290 nan 0.000 0.539 303 T N -3.054 111.383 114.554 -0.196 0.000 2.853 303 T HA 0.605 4.955 4.350 0.001 0.000 0.311 303 T C -1.061 173.585 174.700 -0.089 0.000 1.307 303 T CA -0.931 61.127 62.100 -0.071 0.000 1.019 303 T CB 2.295 71.181 68.868 0.029 0.000 1.264 303 T HN 0.476 nan 8.240 nan 0.000 0.497 304 K N 0.831 121.235 120.400 0.006 0.000 2.483 304 K HA 0.465 4.785 4.320 0.001 0.000 0.256 304 K C -1.847 174.804 176.600 0.085 0.000 0.961 304 K CA -0.668 55.598 56.287 -0.035 0.000 0.873 304 K CB 1.292 33.845 32.500 0.088 0.000 1.107 304 K HN 0.653 nan 8.250 nan 0.000 0.432 305 W N 5.364 126.470 121.300 -0.324 0.000 2.606 305 W HA 0.467 5.128 4.660 0.001 0.000 0.332 305 W C -1.841 174.493 176.519 -0.308 0.000 1.052 305 W CA -1.195 56.030 57.345 -0.201 0.000 1.223 305 W CB 0.767 30.103 29.460 -0.207 0.000 1.383 305 W HN 0.500 nan 8.180 nan 0.000 0.524 306 W N 4.684 126.034 121.300 0.083 0.000 2.839 306 W HA 0.533 5.194 4.660 0.001 0.000 0.334 306 W C -0.457 175.971 176.519 -0.151 0.000 1.064 306 W CA -0.506 56.825 57.345 -0.024 0.000 1.236 306 W CB 2.220 31.803 29.460 0.205 0.000 1.405 306 W HN 0.275 nan 8.180 nan 0.000 0.478 307 T N 0.625 115.182 114.554 0.005 0.000 2.906 307 T HA 0.802 5.153 4.350 0.001 0.000 0.295 307 T C -0.786 174.061 174.700 0.245 0.000 1.061 307 T CA -0.995 61.167 62.100 0.102 0.000 1.000 307 T CB 1.653 70.472 68.868 -0.081 0.000 1.103 307 T HN 0.580 nan 8.240 nan 0.000 0.486 308 V N -2.026 118.080 119.914 0.321 0.000 2.924 308 V HA 1.009 5.129 4.120 0.001 0.000 0.300 308 V C -0.400 175.776 176.094 0.137 0.000 1.227 308 V CA -0.495 61.958 62.300 0.254 0.000 0.954 308 V CB 1.338 33.286 31.823 0.208 0.000 1.055 308 V HN 1.512 nan 8.190 nan 0.000 0.429 309 G N 3.211 112.094 108.800 0.138 0.000 2.646 309 G HA2 0.839 4.799 3.960 0.001 0.000 0.291 309 G HA3 0.839 4.799 3.960 0.001 0.000 0.291 309 G C -1.461 173.527 174.900 0.148 0.000 1.445 309 G CA -0.232 44.842 45.100 -0.044 0.000 0.814 309 G HN 1.861 nan 8.290 nan 0.000 0.495 310 I N -2.206 118.429 120.570 0.108 0.000 2.894 310 I HA 0.878 5.048 4.170 0.001 0.000 0.302 310 I C -0.893 175.315 176.117 0.153 0.000 1.188 310 I CA -1.489 59.913 61.300 0.169 0.000 1.014 310 I CB 2.811 40.887 38.000 0.126 0.000 1.242 310 I HN 0.534 nan 8.210 nan 0.000 0.430 311 R N 5.068 125.668 120.500 0.167 0.000 2.487 311 R HA 0.508 4.848 4.340 0.001 0.000 0.288 311 R C -2.932 173.458 176.300 0.149 0.000 1.394 311 R CA -1.380 54.810 56.100 0.149 0.000 1.155 311 R CB 1.616 31.998 30.300 0.137 0.000 1.156 311 R HN 0.476 nan 8.270 nan 0.000 0.553 312 P HA 0.192 nan 4.420 nan 0.000 0.290 312 P C -1.088 176.357 177.300 0.240 0.000 1.276 312 P CA -0.479 62.777 63.100 0.260 0.000 0.808 312 P CB 1.662 33.545 31.700 0.305 0.000 0.966 313 M N 4.908 124.626 119.600 0.196 0.000 2.311 313 M HA 0.366 4.846 4.480 0.001 0.000 0.325 313 M C -1.905 174.274 176.300 -0.202 0.000 1.061 313 M CA -1.089 54.215 55.300 0.007 0.000 0.957 313 M CB 1.769 34.347 32.600 -0.035 0.000 1.646 313 M HN 0.341 nan 8.290 nan 0.000 0.434 314 Y N 5.493 125.408 120.300 -0.642 0.000 2.328 314 Y HA 0.439 4.990 4.550 0.001 0.000 0.333 314 Y C -1.021 174.301 175.900 -0.963 0.000 0.958 314 Y CA -0.754 56.589 58.100 -1.262 0.000 1.167 314 Y CB 1.051 38.443 38.460 -1.781 0.000 1.151 314 Y HN 0.521 nan 8.280 nan 0.000 0.470 315 K N 5.553 125.101 120.400 -1.420 0.000 2.285 315 K HA 0.069 4.390 4.320 0.001 0.000 0.286 315 K C -0.391 175.546 176.600 -1.106 0.000 1.072 315 K CA -0.304 55.400 56.287 -0.972 0.000 0.913 315 K CB 0.914 33.082 32.500 -0.553 0.000 1.067 315 K HN 0.863 nan 8.250 nan 0.000 0.479 316 W N 1.867 122.879 121.300 -0.482 0.000 2.494 316 W HA -0.021 4.639 4.660 0.001 0.000 0.286 316 W C 0.656 177.055 176.519 -0.201 0.000 1.218 316 W CA 0.243 57.425 57.345 -0.272 0.000 1.313 316 W CB 0.540 29.918 29.460 -0.136 0.000 1.105 316 W HN 0.392 nan 8.180 nan 0.000 0.561 317 T N -1.425 113.165 114.554 0.061 0.000 2.865 317 T HA 0.181 4.532 4.350 0.001 0.000 0.294 317 T C -2.163 172.512 174.700 -0.041 0.000 1.119 317 T CA -1.103 61.008 62.100 0.019 0.000 1.007 317 T CB 1.680 70.580 68.868 0.052 0.000 1.225 317 T HN -0.492 nan 8.240 nan 0.000 0.515 318 P HA 0.124 nan 4.420 nan 0.000 0.223 318 P C 0.969 178.258 177.300 -0.018 0.000 1.151 318 P CA 0.677 63.759 63.100 -0.029 0.000 0.787 318 P CB -0.023 31.673 31.700 -0.005 0.000 0.788 319 I N -5.952 114.621 120.570 0.006 0.000 4.009 319 I HA 0.433 4.604 4.170 0.001 0.000 0.331 319 I C 0.158 176.264 176.117 -0.019 0.000 1.462 319 I CA -0.302 61.016 61.300 0.031 0.000 1.117 319 I CB 0.077 38.135 38.000 0.097 0.000 1.091 319 I HN -0.176 nan 8.210 nan 0.000 0.410 320 M N 2.344 121.889 119.600 -0.092 0.000 2.378 320 M HA 0.655 5.135 4.480 0.001 0.000 0.289 320 M C -1.453 174.785 176.300 -0.104 0.000 1.136 320 M CA -0.077 55.070 55.300 -0.255 0.000 0.917 320 M CB 2.191 34.586 32.600 -0.341 0.000 1.669 320 M HN 0.273 nan 8.290 nan 0.000 0.461 321 S N 1.725 117.344 115.700 -0.135 0.000 2.688 321 S HA 0.726 5.197 4.470 0.001 0.000 0.275 321 S C -1.113 173.528 174.600 0.067 0.000 1.175 321 S CA -0.796 57.396 58.200 -0.013 0.000 0.818 321 S CB 2.175 65.268 63.200 -0.177 0.000 1.157 321 S HN 0.677 nan 8.310 nan 0.000 0.482 322 T N 1.391 115.992 114.554 0.079 0.000 2.815 322 T HA 0.629 4.979 4.350 0.001 0.000 0.289 322 T C -0.697 174.040 174.700 0.062 0.000 1.000 322 T CA -0.402 61.790 62.100 0.152 0.000 0.958 322 T CB 0.982 70.047 68.868 0.328 0.000 0.944 322 T HN 0.599 nan 8.240 nan 0.000 0.442 323 V N 4.712 124.678 119.914 0.087 0.000 2.612 323 V HA 0.702 4.823 4.120 0.001 0.000 0.301 323 V C -0.015 176.165 176.094 0.142 0.000 1.046 323 V CA -0.953 61.404 62.300 0.096 0.000 0.946 323 V CB 1.754 33.633 31.823 0.093 0.000 1.003 323 V HN 0.913 nan 8.190 nan 0.000 0.459 324 M N 3.081 122.771 119.600 0.150 0.000 2.378 324 M HA 0.633 5.113 4.480 0.001 0.000 0.289 324 M C -1.300 175.098 176.300 0.162 0.000 1.136 324 M CA -0.291 55.108 55.300 0.166 0.000 0.917 324 M CB 2.349 35.047 32.600 0.163 0.000 1.669 324 M HN 0.832 nan 8.290 nan 0.000 0.461 325 E N 4.038 124.341 120.200 0.172 0.000 2.266 325 E HA 0.704 5.054 4.350 0.001 0.000 0.268 325 E C -1.892 174.792 176.600 0.139 0.000 0.879 325 E CA -0.707 55.790 56.400 0.162 0.000 0.762 325 E CB 2.102 31.920 29.700 0.197 0.000 1.199 325 E HN 0.790 nan 8.360 nan 0.000 0.422 326 I N 2.975 123.585 120.570 0.067 0.000 2.500 326 I HA 0.471 4.642 4.170 0.001 0.000 0.286 326 I C -0.217 175.787 176.117 -0.189 0.000 1.063 326 I CA -0.462 60.852 61.300 0.022 0.000 1.062 326 I CB 2.142 40.166 38.000 0.040 0.000 1.223 326 I HN 0.544 nan 8.210 nan 0.000 0.435 327 G N 4.383 113.011 108.800 -0.287 0.000 2.524 327 G HA2 0.627 4.588 3.960 0.001 0.000 0.310 327 G HA3 0.627 4.588 3.960 0.001 0.000 0.310 327 G C -2.289 172.543 174.900 -0.113 0.000 1.279 327 G CA -0.524 44.067 45.100 -0.847 0.000 0.974 327 G HN 0.387 nan 8.290 nan 0.000 0.484 328 Y N 1.176 121.400 120.300 -0.125 0.000 2.386 328 Y HA 0.505 5.055 4.550 0.001 0.000 0.334 328 Y C -1.106 174.958 175.900 0.274 0.000 1.002 328 Y CA -1.002 57.185 58.100 0.146 0.000 1.068 328 Y CB 1.998 40.527 38.460 0.115 0.000 1.203 328 Y HN 0.448 nan 8.280 nan 0.000 0.443 329 D N 4.524 124.698 120.400 -0.377 0.000 2.340 329 D HA 0.290 4.931 4.640 0.001 0.000 0.240 329 D C -1.355 174.673 176.300 -0.454 0.000 1.001 329 D CA -0.515 53.396 54.000 -0.148 0.000 0.888 329 D CB 2.103 42.998 40.800 0.158 0.000 1.310 329 D HN 0.598 nan 8.370 nan 0.000 0.474 330 N N 1.519 120.237 118.700 0.030 0.000 2.655 330 N HA 0.162 4.902 4.740 0.001 0.000 0.277 330 N C -1.923 173.821 175.510 0.390 0.000 1.177 330 N CA -0.241 52.896 53.050 0.144 0.000 0.882 330 N CB 1.486 40.104 38.487 0.218 0.000 1.481 330 N HN 0.028 nan 8.380 nan 0.000 0.547 331 V N 2.225 122.310 119.914 0.285 0.000 2.459 331 V HA 0.468 4.588 4.120 0.001 0.000 0.295 331 V C 0.254 176.599 176.094 0.418 0.000 1.029 331 V CA -0.773 61.717 62.300 0.316 0.000 0.874 331 V CB 1.767 33.671 31.823 0.135 0.000 0.985 331 V HN 0.571 nan 8.190 nan 0.000 0.438 332 E N 2.526 122.956 120.200 0.384 0.000 2.183 332 E HA 0.418 4.768 4.350 0.001 0.000 0.271 332 E C -0.493 176.179 176.600 0.119 0.000 0.919 332 E CA -0.410 56.182 56.400 0.320 0.000 0.781 332 E CB 1.783 31.622 29.700 0.231 0.000 1.140 332 E HN 0.678 nan 8.360 nan 0.000 0.402 333 S N 3.006 118.551 115.700 -0.259 0.000 2.531 333 S HA -0.044 4.426 4.470 0.001 0.000 0.279 333 S C 0.947 175.302 174.600 -0.409 0.000 1.305 333 S CA 0.050 57.776 58.200 -0.790 0.000 1.058 333 S CB 1.274 63.511 63.200 -1.604 0.000 0.899 333 S HN 0.738 nan 8.310 nan 0.000 0.493 334 Q N 4.270 123.884 119.800 -0.309 0.000 2.046 334 Q HA -0.131 4.209 4.340 0.001 0.000 0.200 334 Q C 2.206 178.084 176.000 -0.203 0.000 0.975 334 Q CA 1.414 57.109 55.803 -0.180 0.000 0.836 334 Q CB -0.152 28.517 28.738 -0.115 0.000 0.896 334 Q HN 0.852 nan 8.270 nan 0.000 0.428 335 R N -0.359 119.980 120.500 -0.269 0.000 2.096 335 R HA -0.115 4.226 4.340 0.001 0.000 0.235 335 R C 1.884 178.030 176.300 -0.257 0.000 1.127 335 R CA 1.946 57.900 56.100 -0.243 0.000 0.968 335 R CB -0.123 30.010 30.300 -0.278 0.000 0.861 335 R HN 0.427 nan 8.270 nan 0.000 0.440 336 T N -4.508 109.830 114.554 -0.360 0.000 3.044 336 T HA 0.247 4.598 4.350 0.001 0.000 0.260 336 T C 1.202 175.777 174.700 -0.208 0.000 1.019 336 T CA 0.398 62.327 62.100 -0.284 0.000 0.921 336 T CB 0.912 69.574 68.868 -0.342 0.000 1.053 336 T HN 0.392 nan 8.240 nan 0.000 0.533 337 G N 1.430 110.108 108.800 -0.203 0.000 2.205 337 G HA2 -0.283 3.678 3.960 0.001 0.000 0.269 337 G HA3 -0.283 3.678 3.960 0.001 0.000 0.269 337 G C -0.190 174.674 174.900 -0.059 0.000 0.977 337 G CA 0.568 45.609 45.100 -0.099 0.000 0.652 337 G HN 0.668 nan 8.290 nan 0.000 0.539 338 D N 0.029 120.360 120.400 -0.114 0.000 2.377 338 D HA 0.589 5.230 4.640 0.001 0.000 0.245 338 D C 0.645 177.095 176.300 0.251 0.000 1.196 338 D CA 0.292 54.333 54.000 0.067 0.000 0.962 338 D CB 0.518 41.410 40.800 0.154 0.000 1.127 338 D HN 0.290 nan 8.370 nan 0.000 0.471 339 K N 0.917 121.526 120.400 0.348 0.000 2.443 339 K HA 0.427 4.748 4.320 0.001 0.000 0.252 339 K C -1.182 175.585 176.600 0.278 0.000 0.933 339 K CA -0.937 55.570 56.287 0.367 0.000 0.792 339 K CB 1.557 34.212 32.500 0.257 0.000 1.185 339 K HN 0.275 nan 8.250 nan 0.000 0.425 340 N N 2.732 121.541 118.700 0.183 0.000 2.405 340 N HA 0.375 5.116 4.740 0.001 0.000 0.299 340 N C -1.142 174.394 175.510 0.043 0.000 1.075 340 N CA -0.598 52.438 53.050 -0.024 0.000 0.884 340 N CB 1.283 39.557 38.487 -0.355 0.000 1.194 340 N HN 0.752 nan 8.380 nan 0.000 0.491 341 N N -0.326 118.405 118.700 0.052 0.000 2.823 341 N HA 0.342 5.083 4.740 0.001 0.000 0.251 341 N C -1.702 173.844 175.510 0.059 0.000 1.392 341 N CA -0.659 52.402 53.050 0.019 0.000 0.864 341 N CB 2.691 41.225 38.487 0.078 0.000 1.481 341 N HN 0.492 nan 8.380 nan 0.000 0.508 342 Q N 0.251 120.041 119.800 -0.017 0.000 2.527 342 Q HA 0.332 4.672 4.340 0.001 0.000 0.280 342 Q C -2.211 173.895 176.000 0.177 0.000 0.977 342 Q CA -0.826 55.026 55.803 0.083 0.000 0.837 342 Q CB 2.056 30.838 28.738 0.074 0.000 1.454 342 Q HN 0.688 nan 8.270 nan 0.000 0.387 343 Y N 0.268 120.700 120.300 0.220 0.000 2.406 343 Y HA 0.670 5.221 4.550 0.001 0.000 0.340 343 Y C -1.592 174.422 175.900 0.191 0.000 0.975 343 Y CA -0.942 57.312 58.100 0.255 0.000 1.056 343 Y CB 1.678 40.337 38.460 0.332 0.000 1.210 343 Y HN 0.541 nan 8.280 nan 0.000 0.448 344 K N 5.443 126.047 120.400 0.340 0.000 2.270 344 K HA 0.660 4.980 4.320 0.001 0.000 0.255 344 K C -1.697 175.108 176.600 0.342 0.000 0.936 344 K CA -0.799 55.659 56.287 0.286 0.000 0.809 344 K CB 1.249 33.916 32.500 0.279 0.000 1.131 344 K HN 0.981 nan 8.250 nan 0.000 0.427 345 I N 3.499 124.308 120.570 0.398 0.000 2.448 345 I HA 0.181 4.351 4.170 0.001 0.000 0.281 345 I C -0.618 175.702 176.117 0.338 0.000 1.027 345 I CA -0.580 60.925 61.300 0.343 0.000 1.111 345 I CB 2.093 40.308 38.000 0.358 0.000 1.236 345 I HN 0.484 nan 8.210 nan 0.000 0.452 346 T N 6.592 121.321 114.554 0.292 0.000 2.888 346 T HA 0.541 4.892 4.350 0.001 0.000 0.284 346 T C -0.752 174.115 174.700 0.277 0.000 1.017 346 T CA -0.577 61.716 62.100 0.322 0.000 1.022 346 T CB 2.209 71.258 68.868 0.301 0.000 1.013 346 T HN 0.235 nan 8.240 nan 0.000 0.465 347 L N 2.524 123.931 121.223 0.306 0.000 2.406 347 L HA 0.813 5.153 4.340 0.001 0.000 0.272 347 L C -1.189 175.857 176.870 0.292 0.000 0.980 347 L CA -0.556 54.435 54.840 0.252 0.000 0.831 347 L CB 0.892 43.073 42.059 0.203 0.000 1.253 347 L HN 0.873 nan 8.230 nan 0.000 0.406 348 A N 4.242 127.217 122.820 0.259 0.000 2.454 348 A HA 0.716 5.036 4.320 0.001 0.000 0.302 348 A C -1.289 176.409 177.584 0.191 0.000 1.079 348 A CA -0.557 51.648 52.037 0.280 0.000 0.731 348 A CB 1.962 21.157 19.000 0.324 0.000 1.299 348 A HN 0.596 nan 8.150 nan 0.000 0.413 349 Q N 1.111 121.016 119.800 0.174 0.000 2.368 349 Q HA 0.475 4.816 4.340 0.001 0.000 0.263 349 Q C -0.445 175.538 176.000 -0.029 0.000 1.009 349 Q CA -0.188 55.634 55.803 0.033 0.000 0.818 349 Q CB 0.909 29.665 28.738 0.029 0.000 1.239 349 Q HN 0.796 nan 8.270 nan 0.000 0.464 350 Q N 2.172 121.884 119.800 -0.147 0.000 2.495 350 Q HA 0.569 4.909 4.340 0.001 0.000 0.283 350 Q C -1.034 174.761 176.000 -0.341 0.000 1.097 350 Q CA -0.862 54.917 55.803 -0.040 0.000 0.836 350 Q CB 1.739 30.543 28.738 0.110 0.000 1.426 350 Q HN 0.561 nan 8.270 nan 0.000 0.459 351 W N 1.805 123.145 121.300 0.068 0.000 2.499 351 W HA 0.292 4.952 4.660 0.001 0.000 0.320 351 W C -1.152 175.381 176.519 0.023 0.000 1.010 351 W CA -0.392 56.980 57.345 0.046 0.000 1.267 351 W CB 2.209 31.692 29.460 0.039 0.000 1.316 351 W HN 0.748 nan 8.180 nan 0.000 0.431 352 Q N 1.182 121.065 119.800 0.138 0.000 2.306 352 Q HA 0.668 5.008 4.340 0.001 0.000 0.269 352 Q C -0.083 175.958 176.000 0.069 0.000 1.053 352 Q CA -0.863 54.986 55.803 0.078 0.000 0.879 352 Q CB 1.244 29.989 28.738 0.012 0.000 1.344 352 Q HN 0.394 nan 8.270 nan 0.000 0.464 353 A N 0.397 123.237 122.820 0.033 0.000 3.215 353 A HA 0.692 5.013 4.320 0.001 0.000 0.269 353 A C 0.117 177.713 177.584 0.019 0.000 1.517 353 A CA 0.463 52.519 52.037 0.030 0.000 1.221 353 A CB -1.104 17.905 19.000 0.016 0.000 1.160 353 A HN 0.796 nan 8.150 nan 0.000 0.620 354 G N 0.156 108.969 108.800 0.022 0.000 2.339 354 G HA2 0.341 4.302 3.960 0.001 0.000 0.302 354 G HA3 0.341 4.302 3.960 0.001 0.000 0.302 354 G C -0.647 174.257 174.900 0.007 0.000 1.425 354 G CA 0.033 45.144 45.100 0.019 0.000 0.899 354 G HN 0.331 nan 8.290 nan 0.000 0.619 355 D N -0.780 119.623 120.400 0.006 0.000 2.388 355 D HA 0.300 4.940 4.640 0.001 0.000 0.221 355 D C 0.660 176.956 176.300 -0.007 0.000 1.133 355 D CA 0.120 54.108 54.000 -0.020 0.000 0.831 355 D CB 0.835 41.619 40.800 -0.026 0.000 0.962 355 D HN 0.351 nan 8.370 nan 0.000 0.502 356 S N -0.013 115.704 115.700 0.027 0.000 2.681 356 S HA 0.429 4.899 4.470 0.001 0.000 0.299 356 S C 0.808 175.424 174.600 0.027 0.000 1.113 356 S CA -0.810 57.432 58.200 0.070 0.000 1.013 356 S CB 1.369 64.671 63.200 0.170 0.000 1.076 356 S HN 0.215 nan 8.310 nan 0.000 0.534 357 I N 1.226 121.799 120.570 0.004 0.000 3.251 357 I HA 0.115 4.286 4.170 0.001 0.000 0.277 357 I C 0.153 176.145 176.117 -0.209 0.000 1.268 357 I CA 0.551 61.772 61.300 -0.133 0.000 1.449 357 I CB 0.127 38.002 38.000 -0.208 0.000 1.083 357 I HN 0.724 nan 8.210 nan 0.000 0.464 358 W N 0.783 122.097 121.300 0.023 0.000 3.239 358 W HA 0.176 4.836 4.660 0.001 0.000 0.348 358 W C 0.911 177.381 176.519 -0.081 0.000 1.183 358 W CA -0.463 56.902 57.345 0.033 0.000 1.819 358 W CB 0.223 29.762 29.460 0.131 0.000 1.091 358 W HN 0.031 nan 8.180 nan 0.000 0.629 359 S N 1.775 117.519 115.700 0.072 0.000 2.513 359 S HA 0.598 5.069 4.470 0.001 0.000 0.276 359 S C -0.013 174.477 174.600 -0.182 0.000 1.254 359 S CA -0.802 57.377 58.200 -0.034 0.000 1.053 359 S CB 1.464 64.669 63.200 0.009 0.000 0.958 359 S HN -0.024 nan 8.310 nan 0.000 0.491 360 R N 1.519 121.840 120.500 -0.298 0.000 2.807 360 R HA 0.581 4.921 4.340 0.001 0.000 0.276 360 R C -2.933 173.271 176.300 -0.160 0.000 0.979 360 R CA -2.309 53.586 56.100 -0.343 0.000 0.928 360 R CB 0.408 30.254 30.300 -0.757 0.000 1.191 360 R HN 0.396 nan 8.270 nan 0.000 0.471 361 P HA 0.203 nan 4.420 nan 0.000 0.271 361 P C -1.180 176.095 177.300 -0.042 0.000 1.238 361 P CA -0.020 63.041 63.100 -0.064 0.000 0.794 361 P CB 0.562 32.247 31.700 -0.025 0.000 0.959 362 A N 0.976 123.797 122.820 0.002 0.000 2.513 362 A HA 0.621 4.941 4.320 0.001 0.000 0.296 362 A C -1.308 176.349 177.584 0.122 0.000 1.052 362 A CA -0.381 51.695 52.037 0.065 0.000 0.714 362 A CB 0.755 19.771 19.000 0.027 0.000 1.279 362 A HN 0.372 nan 8.150 nan 0.000 0.397 363 I N 2.294 122.994 120.570 0.215 0.000 2.418 363 I HA 0.461 4.632 4.170 0.001 0.000 0.287 363 I C -0.059 176.280 176.117 0.369 0.000 1.008 363 I CA -0.459 60.983 61.300 0.237 0.000 1.104 363 I CB 1.979 40.086 38.000 0.178 0.000 1.264 363 I HN 0.738 nan 8.210 nan 0.000 0.438 364 R N 4.937 125.638 120.500 0.335 0.000 2.711 364 R HA 0.791 5.131 4.340 0.001 0.000 0.284 364 R C -1.266 175.303 176.300 0.449 0.000 0.968 364 R CA -0.949 55.391 56.100 0.399 0.000 0.924 364 R CB 2.612 33.127 30.300 0.358 0.000 1.162 364 R HN 0.247 nan 8.270 nan 0.000 0.465 365 V N 4.044 124.225 119.914 0.445 0.000 2.443 365 V HA 0.485 4.605 4.120 0.001 0.000 0.293 365 V C -0.994 175.302 176.094 0.338 0.000 1.021 365 V CA -0.548 61.958 62.300 0.342 0.000 0.848 365 V CB 0.746 32.762 31.823 0.322 0.000 0.998 365 V HN 0.680 nan 8.190 nan 0.000 0.424 366 F N 3.079 123.208 119.950 0.298 0.000 2.664 366 F HA 1.038 5.566 4.527 0.001 0.000 0.329 366 F C -0.284 175.741 175.800 0.374 0.000 1.090 366 F CA -1.492 56.685 58.000 0.295 0.000 0.978 366 F CB 1.881 41.046 39.000 0.274 0.000 1.378 366 F HN 0.525 nan 8.300 nan 0.000 0.495 367 A N 0.784 123.907 122.820 0.505 0.000 2.459 367 A HA 0.724 5.045 4.320 0.001 0.000 0.296 367 A C -1.220 176.767 177.584 0.671 0.000 1.039 367 A CA -0.554 51.806 52.037 0.539 0.000 0.698 367 A CB 1.305 20.534 19.000 0.381 0.000 1.261 367 A HN 0.849 nan 8.150 nan 0.000 0.405 368 T N 1.290 116.303 114.554 0.766 0.000 2.887 368 T HA 0.649 4.999 4.350 0.001 0.000 0.288 368 T C -1.582 173.527 174.700 0.682 0.000 1.021 368 T CA -0.166 62.334 62.100 0.666 0.000 1.000 368 T CB 1.224 70.485 68.868 0.656 0.000 1.034 368 T HN 0.679 nan 8.240 nan 0.000 0.467 369 Y N 1.417 121.950 120.300 0.389 0.000 2.386 369 Y HA 0.647 5.197 4.550 0.001 0.000 0.334 369 Y C -1.186 174.773 175.900 0.099 0.000 1.002 369 Y CA -0.772 57.490 58.100 0.270 0.000 1.068 369 Y CB 0.989 39.584 38.460 0.226 0.000 1.203 369 Y HN 0.845 nan 8.280 nan 0.000 0.443 370 A N 5.407 127.762 122.820 -0.776 0.000 2.401 370 A HA 0.794 5.114 4.320 0.001 0.000 0.310 370 A C -1.678 175.299 177.584 -1.012 0.000 1.075 370 A CA -0.961 50.623 52.037 -0.755 0.000 0.746 370 A CB 1.589 20.182 19.000 -0.679 0.000 1.277 370 A HN 0.691 nan 8.150 nan 0.000 0.425 371 K N 1.424 121.325 120.400 -0.832 0.000 2.578 371 K HA 0.589 4.910 4.320 0.001 0.000 0.250 371 K C -1.247 175.111 176.600 -0.404 0.000 0.955 371 K CA -0.374 55.444 56.287 -0.782 0.000 0.825 371 K CB 0.724 32.772 32.500 -0.754 0.000 1.151 371 K HN 0.902 nan 8.250 nan 0.000 0.432 372 W N 1.479 122.585 121.300 -0.323 0.000 2.894 372 W HA 0.754 5.414 4.660 0.001 0.000 0.345 372 W C -1.121 175.345 176.519 -0.087 0.000 1.152 372 W CA -0.832 56.406 57.345 -0.179 0.000 1.089 372 W CB 1.070 30.440 29.460 -0.151 0.000 1.454 372 W HN 0.545 nan 8.180 nan 0.000 0.589 373 D N 0.394 120.929 120.400 0.225 0.000 2.362 373 D HA 0.119 4.759 4.640 0.001 0.000 0.232 373 D C -1.441 174.954 176.300 0.158 0.000 1.329 373 D CA -0.275 53.801 54.000 0.127 0.000 0.944 373 D CB 0.594 41.441 40.800 0.079 0.000 1.471 373 D HN 0.489 nan 8.370 nan 0.000 0.533 374 E N 2.426 122.732 120.200 0.176 0.000 2.156 374 E HA 0.346 4.697 4.350 0.001 0.000 0.279 374 E C 0.138 176.786 176.600 0.079 0.000 0.965 374 E CA -0.673 55.758 56.400 0.052 0.000 0.789 374 E CB 2.263 31.937 29.700 -0.043 0.000 1.098 374 E HN 0.238 nan 8.360 nan 0.000 0.397 375 K N 2.840 123.303 120.400 0.104 0.000 2.440 375 K HA 0.141 4.462 4.320 0.001 0.000 0.206 375 K C -0.549 176.245 176.600 0.323 0.000 1.025 375 K CA -0.151 56.253 56.287 0.195 0.000 1.135 375 K CB 0.499 33.117 32.500 0.197 0.000 0.856 375 K HN 0.548 nan 8.250 nan 0.000 0.502 376 W N -1.309 120.006 121.300 0.025 0.000 3.161 376 W HA 0.535 5.195 4.660 0.001 0.000 0.314 376 W C -1.319 175.170 176.519 -0.051 0.000 1.245 376 W CA -1.022 56.299 57.345 -0.041 0.000 1.191 376 W CB 0.289 29.677 29.460 -0.119 0.000 1.392 376 W HN -0.062 nan 8.180 nan 0.000 0.568 377 G N 0.550 109.580 108.800 0.382 0.000 2.721 377 G HA2 0.655 4.616 3.960 0.001 0.000 0.296 377 G HA3 0.655 4.616 3.960 0.001 0.000 0.296 377 G C -2.703 172.273 174.900 0.126 0.000 1.383 377 G CA -0.992 44.207 45.100 0.166 0.000 0.788 377 G HN 0.470 nan 8.290 nan 0.000 0.500 378 Y N -0.092 120.300 120.300 0.155 0.000 2.352 378 Y HA 0.427 4.977 4.550 0.001 0.000 0.326 378 Y C -0.002 175.737 175.900 -0.268 0.000 1.166 378 Y CA -0.451 57.560 58.100 -0.148 0.000 1.182 378 Y CB 1.789 40.042 38.460 -0.345 0.000 1.216 378 Y HN 0.350 nan 8.280 nan 0.000 0.474 379 D N 1.746 121.927 120.400 -0.365 0.000 2.393 379 D HA 0.087 4.728 4.640 0.001 0.000 0.232 379 D C -0.843 175.153 176.300 -0.507 0.000 1.192 379 D CA 0.127 53.987 54.000 -0.233 0.000 0.882 379 D CB 0.001 40.612 40.800 -0.315 0.000 1.038 379 D HN 0.423 nan 8.370 nan 0.000 0.499 380 Y N 1.262 121.551 120.300 -0.018 0.000 2.636 380 Y HA 0.114 4.664 4.550 0.001 0.000 0.260 380 Y C 1.023 177.005 175.900 0.137 0.000 1.177 380 Y CA -0.457 57.514 58.100 -0.214 0.000 1.209 380 Y CB 0.025 38.411 38.460 -0.123 0.000 1.166 380 Y HN 0.206 nan 8.280 nan 0.000 0.531 381 T N -2.348 112.393 114.554 0.313 0.000 2.904 381 T HA 0.599 4.949 4.350 0.001 0.000 0.290 381 T C 1.095 176.016 174.700 0.368 0.000 1.018 381 T CA 0.255 62.539 62.100 0.306 0.000 1.075 381 T CB 1.538 70.566 68.868 0.267 0.000 0.986 381 T HN 0.612 nan 8.240 nan 0.000 0.523 382 G N 2.109 111.064 108.800 0.258 0.000 2.520 382 G HA2 -0.190 3.770 3.960 0.001 0.000 0.248 382 G HA3 -0.190 3.770 3.960 0.001 0.000 0.248 382 G C -0.390 174.548 174.900 0.063 0.000 1.161 382 G CA 0.048 45.249 45.100 0.168 0.000 0.946 382 G HN 1.099 nan 8.290 nan 0.000 0.565 383 N N -0.444 118.166 118.700 -0.151 0.000 2.494 383 N HA 0.518 5.258 4.740 0.001 0.000 0.270 383 N C 1.045 176.016 175.510 -0.898 0.000 1.285 383 N CA 0.114 52.862 53.050 -0.503 0.000 0.812 383 N CB 1.696 39.931 38.487 -0.420 0.000 1.557 383 N HN 1.130 nan 8.380 nan 0.000 0.487 384 A N 0.649 122.835 122.820 -1.056 0.000 2.015 384 A HA -0.133 4.187 4.320 0.001 0.000 0.219 384 A C 1.442 178.808 177.584 -0.364 0.000 1.163 384 A CA 1.675 53.241 52.037 -0.784 0.000 0.646 384 A CB -0.268 18.583 19.000 -0.247 0.000 0.806 384 A HN 0.771 nan 8.150 nan 0.000 0.448 385 D N -0.370 119.670 120.400 -0.600 0.000 2.144 385 D HA -0.081 4.560 4.640 0.001 0.000 0.207 385 D C 1.813 177.939 176.300 -0.290 0.000 0.970 385 D CA 1.032 54.739 54.000 -0.489 0.000 0.853 385 D CB -0.165 40.001 40.800 -1.058 0.000 1.007 385 D HN 0.275 nan 8.370 nan 0.000 0.469 386 N N 0.578 119.094 118.700 -0.307 0.000 2.084 386 N HA -0.122 4.619 4.740 0.001 0.000 0.190 386 N C 0.642 176.116 175.510 -0.059 0.000 1.030 386 N CA 0.694 53.658 53.050 -0.142 0.000 0.849 386 N CB -0.498 37.926 38.487 -0.104 0.000 1.012 386 N HN 0.190 nan 8.380 nan 0.000 0.423 387 N N -0.091 118.582 118.700 -0.045 0.000 2.508 387 N HA 0.323 5.063 4.740 0.001 0.000 0.285 387 N C -0.111 175.430 175.510 0.051 0.000 1.144 387 N CA -0.025 53.064 53.050 0.065 0.000 0.978 387 N CB 1.564 40.188 38.487 0.227 0.000 1.180 387 N HN 0.090 nan 8.380 nan 0.000 0.484 388 A N 2.016 124.875 122.820 0.066 0.000 2.312 388 A HA 0.201 4.522 4.320 0.001 0.000 0.215 388 A C 0.865 178.463 177.584 0.023 0.000 1.256 388 A CA -0.046 52.014 52.037 0.039 0.000 0.966 388 A CB 0.071 19.088 19.000 0.028 0.000 1.053 388 A HN 0.605 nan 8.150 nan 0.000 0.510 389 N N -0.684 118.026 118.700 0.018 0.000 2.270 389 N HA 0.191 4.931 4.740 0.001 0.000 0.198 389 N C -0.291 175.145 175.510 -0.124 0.000 1.117 389 N CA -0.354 52.644 53.050 -0.087 0.000 0.845 389 N CB -0.339 38.048 38.487 -0.166 0.000 0.980 389 N HN 0.414 nan 8.380 nan 0.000 0.486 390 F N 1.252 121.102 119.950 -0.167 0.000 2.569 390 F HA 0.192 4.720 4.527 0.001 0.000 0.395 390 F C 1.564 177.183 175.800 -0.302 0.000 1.028 390 F CA 0.923 58.788 58.000 -0.225 0.000 1.158 390 F CB 0.006 38.847 39.000 -0.265 0.000 1.023 390 F HN 0.293 nan 8.300 nan 0.000 0.547 391 G N 3.738 111.910 108.800 -1.046 0.000 2.143 391 G HA2 -0.277 3.683 3.960 0.001 0.000 0.249 391 G HA3 -0.277 3.683 3.960 0.001 0.000 0.249 391 G C 0.158 174.889 174.900 -0.282 0.000 0.981 391 G CA 0.081 44.746 45.100 -0.726 0.000 0.665 391 G HN 0.657 nan 8.290 nan 0.000 0.528 392 K N 0.126 120.343 120.400 -0.306 0.000 2.166 392 K HA 0.756 5.076 4.320 0.001 0.000 0.245 392 K C 0.607 177.014 176.600 -0.322 0.000 0.967 392 K CA -0.212 55.948 56.287 -0.211 0.000 0.863 392 K CB 1.740 34.079 32.500 -0.268 0.000 1.107 392 K HN 0.468 nan 8.250 nan 0.000 0.436 393 A N 1.375 123.945 122.820 -0.417 0.000 2.425 393 A HA 0.407 4.727 4.320 0.001 0.000 0.249 393 A C -0.488 176.743 177.584 -0.587 0.000 1.084 393 A CA -0.178 51.458 52.037 -0.669 0.000 0.781 393 A CB 0.474 18.898 19.000 -0.960 0.000 1.019 393 A HN 0.393 nan 8.150 nan 0.000 0.490 394 V N 3.696 123.296 119.914 -0.524 0.000 3.120 394 V HA 0.432 4.552 4.120 0.001 0.000 0.303 394 V C -2.531 173.358 176.094 -0.341 0.000 1.238 394 V CA -1.509 60.386 62.300 -0.675 0.000 1.008 394 V CB 2.741 33.853 31.823 -1.185 0.000 1.064 394 V HN 0.797 nan 8.190 nan 0.000 0.434 395 P HA 0.205 nan 4.420 nan 0.000 0.272 395 P C 0.403 177.810 177.300 0.178 0.000 1.230 395 P CA 0.308 63.437 63.100 0.048 0.000 0.788 395 P CB 0.700 32.453 31.700 0.088 0.000 0.949 396 A N 2.147 125.119 122.820 0.253 0.000 1.986 396 A HA -0.218 4.102 4.320 0.001 0.000 0.220 396 A C 1.160 178.981 177.584 0.394 0.000 1.171 396 A CA 2.461 54.687 52.037 0.314 0.000 0.640 396 A CB -1.282 17.850 19.000 0.220 0.000 0.811 396 A HN 0.703 nan 8.150 nan 0.000 0.451 397 D N -3.085 117.513 120.400 0.329 0.000 2.469 397 D HA 0.170 4.810 4.640 0.001 0.000 0.215 397 D C 0.292 176.798 176.300 0.343 0.000 1.154 397 D CA -0.716 53.468 54.000 0.308 0.000 0.832 397 D CB -0.795 40.111 40.800 0.176 0.000 1.008 397 D HN 0.234 nan 8.370 nan 0.000 0.506 398 F N 2.902 122.945 119.950 0.156 0.000 2.537 398 F HA -0.074 4.453 4.527 0.001 0.000 0.402 398 F C 1.035 176.919 175.800 0.140 0.000 1.005 398 F CA 0.629 58.636 58.000 0.012 0.000 1.203 398 F CB 0.022 38.826 39.000 -0.327 0.000 0.955 398 F HN 0.116 nan 8.300 nan 0.000 0.547 399 N N 4.272 122.613 118.700 -0.599 0.000 2.716 399 N HA -0.222 4.518 4.740 0.001 0.000 0.250 399 N C 0.964 176.414 175.510 -0.100 0.000 1.033 399 N CA 0.890 53.650 53.050 -0.484 0.000 0.727 399 N CB -1.189 36.858 38.487 -0.732 0.000 0.950 399 N HN 1.322 nan 8.380 nan 0.000 0.541 400 G N -1.814 106.983 108.800 -0.005 0.000 2.175 400 G HA2 -0.298 3.663 3.960 0.001 0.000 0.265 400 G HA3 -0.298 3.663 3.960 0.001 0.000 0.265 400 G C 0.668 175.632 174.900 0.106 0.000 0.979 400 G CA 1.003 46.134 45.100 0.051 0.000 0.663 400 G HN 0.782 nan 8.290 nan 0.000 0.533 401 G N -0.931 108.014 108.800 0.242 0.000 2.510 401 G HA2 0.592 4.552 3.960 0.001 0.000 0.280 401 G HA3 0.592 4.552 3.960 0.001 0.000 0.280 401 G C -0.080 174.856 174.900 0.061 0.000 1.386 401 G CA 0.478 45.675 45.100 0.161 0.000 1.047 401 G HN 0.918 nan 8.290 nan 0.000 0.527 402 S N -0.640 114.866 115.700 -0.323 0.000 2.659 402 S HA 0.605 5.075 4.470 0.001 0.000 0.312 402 S C -1.500 172.759 174.600 -0.569 0.000 1.114 402 S CA -0.235 57.841 58.200 -0.206 0.000 1.063 402 S CB 0.856 63.978 63.200 -0.131 0.000 0.996 402 S HN 0.358 nan 8.310 nan 0.000 0.478 403 F N 1.310 121.317 119.950 0.095 0.000 2.547 403 F HA 0.776 5.303 4.527 0.001 0.000 0.316 403 F C 0.746 176.578 175.800 0.053 0.000 1.121 403 F CA -0.221 57.826 58.000 0.079 0.000 0.911 403 F CB 2.010 41.061 39.000 0.085 0.000 1.179 403 F HN 0.900 nan 8.300 nan 0.000 0.443 404 G N 2.270 111.157 108.800 0.146 0.000 2.661 404 G HA2 -0.175 3.786 3.960 0.001 0.000 0.685 404 G HA3 -0.175 3.786 3.960 0.001 0.000 0.685 404 G C -0.069 174.849 174.900 0.030 0.000 1.298 404 G CA -0.956 44.160 45.100 0.026 0.000 0.855 404 G HN 0.727 nan 8.290 nan 0.000 0.560 405 R N 0.455 120.954 120.500 -0.002 0.000 2.299 405 R HA 0.428 4.769 4.340 0.001 0.000 0.197 405 R C 1.834 178.329 176.300 0.325 0.000 0.971 405 R CA 2.047 58.181 56.100 0.057 0.000 1.030 405 R CB -0.296 29.844 30.300 -0.266 0.000 0.932 405 R HN 2.280 nan 8.270 nan 0.000 0.477 406 G N 0.557 109.513 108.800 0.260 0.000 2.508 406 G HA2 -0.252 3.709 3.960 0.001 0.000 0.220 406 G HA3 -0.252 3.709 3.960 0.001 0.000 0.220 406 G C -1.394 173.641 174.900 0.225 0.000 1.287 406 G CA -0.157 45.085 45.100 0.237 0.000 0.916 406 G HN 0.280 nan 8.290 nan 0.000 0.574 407 D N 0.013 120.424 120.400 0.020 0.000 2.473 407 D HA 0.689 5.330 4.640 0.001 0.000 0.253 407 D C -0.105 175.951 176.300 -0.407 0.000 1.233 407 D CA 0.623 54.522 54.000 -0.169 0.000 0.908 407 D CB 1.235 41.997 40.800 -0.064 0.000 1.170 407 D HN 0.711 nan 8.370 nan 0.000 0.558 408 S N 2.682 117.770 115.700 -1.021 0.000 2.800 408 S HA 0.577 5.047 4.470 0.001 0.000 0.293 408 S C -1.734 171.983 174.600 -1.471 0.000 1.209 408 S CA -0.523 57.037 58.200 -1.067 0.000 0.884 408 S CB 1.330 64.074 63.200 -0.759 0.000 1.244 408 S HN 0.438 nan 8.310 nan 0.000 0.540 409 D N 0.267 120.014 120.400 -1.088 0.000 2.636 409 D HA 0.839 5.479 4.640 0.001 0.000 0.275 409 D C -1.423 174.594 176.300 -0.471 0.000 1.130 409 D CA 0.124 53.647 54.000 -0.795 0.000 1.031 409 D CB 1.916 42.547 40.800 -0.283 0.000 1.451 409 D HN 0.418 nan 8.370 nan 0.000 0.505 410 E N -0.336 119.707 120.200 -0.263 0.000 2.418 410 E HA 0.322 4.673 4.350 0.001 0.000 0.283 410 E C -1.910 174.799 176.600 0.181 0.000 1.178 410 E CA -0.780 55.665 56.400 0.075 0.000 0.929 410 E CB 0.316 30.159 29.700 0.238 0.000 1.177 410 E HN 0.409 nan 8.360 nan 0.000 0.429 411 W N 2.719 124.163 121.300 0.241 0.000 3.032 411 W HA 0.827 5.487 4.660 0.001 0.000 0.335 411 W C -1.074 175.732 176.519 0.479 0.000 1.154 411 W CA -0.348 57.223 57.345 0.377 0.000 1.204 411 W CB 0.708 30.419 29.460 0.419 0.000 1.416 411 W HN 0.739 nan 8.180 nan 0.000 0.521 412 T N -0.205 114.714 114.554 0.609 0.000 2.831 412 T HA 0.915 5.265 4.350 0.001 0.000 0.287 412 T C -1.061 174.020 174.700 0.635 0.000 1.070 412 T CA -0.646 61.654 62.100 0.335 0.000 1.010 412 T CB 2.512 71.587 68.868 0.345 0.000 1.264 412 T HN 0.955 nan 8.240 nan 0.000 0.532 413 F N -2.694 117.397 119.950 0.236 0.000 2.746 413 F HA 0.803 5.331 4.527 0.001 0.000 0.311 413 F C -0.425 175.248 175.800 -0.212 0.000 1.135 413 F CA -0.386 57.567 58.000 -0.079 0.000 0.954 413 F CB 1.017 40.084 39.000 0.111 0.000 1.276 413 F HN 1.165 nan 8.300 nan 0.000 0.440 414 G N 0.077 108.459 108.800 -0.697 0.000 2.325 414 G HA2 0.734 4.695 3.960 0.001 0.000 0.295 414 G HA3 0.734 4.695 3.960 0.001 0.000 0.295 414 G C -2.354 172.454 174.900 -0.153 0.000 1.274 414 G CA -0.306 44.713 45.100 -0.135 0.000 0.857 414 G HN 1.602 nan 8.290 nan 0.000 0.499 415 A N -0.619 122.337 122.820 0.227 0.000 2.365 415 A HA 0.911 5.231 4.320 0.001 0.000 0.318 415 A C -0.384 177.406 177.584 0.345 0.000 1.091 415 A CA -0.309 51.909 52.037 0.302 0.000 0.763 415 A CB 2.037 21.175 19.000 0.230 0.000 1.248 415 A HN 0.898 nan 8.150 nan 0.000 0.442 416 Q N 1.208 121.218 119.800 0.349 0.000 2.511 416 Q HA 0.626 4.966 4.340 0.001 0.000 0.289 416 Q C -1.828 174.283 176.000 0.186 0.000 1.021 416 Q CA -0.805 55.148 55.803 0.250 0.000 0.785 416 Q CB 2.106 30.996 28.738 0.253 0.000 1.472 416 Q HN 0.839 nan 8.270 nan 0.000 0.411 417 M N 2.147 121.823 119.600 0.127 0.000 2.464 417 M HA 0.562 5.042 4.480 0.001 0.000 0.308 417 M C -1.979 174.365 176.300 0.073 0.000 1.127 417 M CA -0.169 55.184 55.300 0.089 0.000 0.913 417 M CB 2.037 34.667 32.600 0.050 0.000 1.689 417 M HN 0.839 nan 8.290 nan 0.000 0.445 418 E N 3.924 124.153 120.200 0.048 0.000 2.331 418 E HA 0.751 5.101 4.350 0.001 0.000 0.275 418 E C -2.111 174.458 176.600 -0.052 0.000 0.895 418 E CA -0.689 55.726 56.400 0.024 0.000 0.753 418 E CB 2.796 32.570 29.700 0.123 0.000 1.216 418 E HN 0.857 nan 8.360 nan 0.000 0.434 419 I N 4.026 124.538 120.570 -0.097 0.000 2.731 419 I HA 0.436 4.607 4.170 0.001 0.000 0.289 419 I C -2.088 174.146 176.117 0.195 0.000 1.399 419 I CA -0.579 60.703 61.300 -0.029 0.000 1.048 419 I CB 0.824 38.846 38.000 0.037 0.000 1.345 419 I HN 0.687 nan 8.210 nan 0.000 0.425 420 W N 6.525 127.940 121.300 0.192 0.000 2.666 420 W HA 0.863 5.523 4.660 0.001 0.000 0.334 420 W C -1.415 175.251 176.519 0.244 0.000 1.051 420 W CA -0.617 56.835 57.345 0.179 0.000 1.224 420 W CB 0.268 29.848 29.460 0.199 0.000 1.405 420 W HN 0.633 nan 8.180 nan 0.000 0.513 421 W N 0.000 121.441 121.300 0.235 0.000 2.388 421 W HA 0.000 4.660 4.660 0.001 0.000 0.303 421 W CA 0.000 57.423 57.345 0.130 0.000 1.226 421 W CB 0.000 29.443 29.460 -0.028 0.000 1.126 421 W HN 0.000 nan 8.180 nan 0.000 0.535