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 1wo2_1_A DATA FIRST_RESID 2 DATA SEQUENCE YAPQTQSGRT SIVHLFEWRW VDIALEcERY LGPKGFGGVQ VSPPNENIVV DATA SEQUENCE TNPSRPWWER YQPVSYKLcT RSGNENEFRD MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGSGAAAGT GTTcGSYCNP GNREFPAVPY SAWDFNDGKc KTASGGIESY DATA SEQUENCE NDPYQVRDcQ LVGLLDLALE KDYVRSMIAD YLNKLIDIGV AGFRIDASKH DATA SEQUENCE MWPGDIKAVL DKLHNLNTNW FPAGSRPFIF QEVIDLGGEA IKSSEYFGNG DATA SEQUENCE RVTEFKYGAK LGTVVRKWSG EKMSYLKNWG EGWGFMPSDR ALVFVDNHDN DATA SEQUENCE QRGHGAGGSS ILTFWDARLY KIAVGFMLAH PYGFTRVMSS YRWARNFVNG DATA SEQUENCE EDVNDWIGPP NNNGVIKEVT INADTTcGND WVcEHRWREI RNMVWFRNVV DATA SEQUENCE DGQPFANWWD NGSNQVAFGR GNRGFIVFNN DDWQLSSTLQ TGLPGGTYcD DATA SEQUENCE VISGDKVGNS cTGIKVYVSS DGTAQFSISN SAEDPFIAIH AESKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.925 175.900 0.042 0.000 1.272 2 Y CA 0.000 58.193 58.100 0.155 0.000 1.940 2 Y CB 0.000 38.489 38.460 0.048 0.000 1.050 3 A N 4.238 127.099 122.820 0.069 0.000 2.454 3 A HA 0.351 4.671 4.320 -0.001 0.000 0.260 3 A C -1.309 175.948 177.584 -0.545 0.000 1.106 3 A CA -0.752 51.175 52.037 -0.183 0.000 0.780 3 A CB 0.004 18.955 19.000 -0.082 0.000 1.044 3 A HN 0.159 nan 8.150 nan 0.000 0.498 4 P HA -0.175 nan 4.420 nan 0.000 0.222 4 P C -0.066 176.885 177.300 -0.583 0.000 1.147 4 P CA 0.897 62.914 63.100 -1.804 0.000 0.790 4 P CB 0.092 30.603 31.700 -1.982 0.000 0.780 5 Q N -0.984 118.656 119.800 -0.267 0.000 2.489 5 Q HA -0.120 4.220 4.340 -0.001 0.000 0.259 5 Q C 0.294 176.392 176.000 0.163 0.000 0.934 5 Q CA 1.371 57.187 55.803 0.021 0.000 1.131 5 Q CB -3.220 25.543 28.738 0.042 0.000 1.472 5 Q HN 0.492 nan 8.270 nan 0.000 0.560 6 T N -2.573 112.018 114.554 0.062 0.000 2.828 6 T HA 0.393 4.743 4.350 -0.001 0.000 0.290 6 T C 0.624 175.364 174.700 0.066 0.000 1.019 6 T CA -0.654 61.518 62.100 0.120 0.000 1.031 6 T CB 1.412 70.353 68.868 0.122 0.000 1.001 6 T HN 0.148 nan 8.240 nan 0.000 0.531 7 Q N 0.900 120.722 119.800 0.037 0.000 2.395 7 Q HA 0.151 4.491 4.340 -0.001 0.000 0.271 7 Q C 0.514 176.508 176.000 -0.009 0.000 1.026 7 Q CA -0.161 55.643 55.803 0.001 0.000 0.900 7 Q CB 0.617 29.343 28.738 -0.020 0.000 1.266 7 Q HN 0.810 nan 8.270 nan 0.000 0.430 8 S N 0.688 116.378 115.700 -0.017 0.000 2.626 8 S HA 0.137 4.606 4.470 -0.001 0.000 0.303 8 S C 1.109 175.674 174.600 -0.058 0.000 1.256 8 S CA 1.064 59.245 58.200 -0.031 0.000 1.069 8 S CB -0.277 62.906 63.200 -0.028 0.000 0.807 8 S HN 0.887 nan 8.310 nan 0.000 0.500 9 G N 4.945 113.702 108.800 -0.072 0.000 2.234 9 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.235 9 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.235 9 G C 0.071 174.879 174.900 -0.153 0.000 0.997 9 G CA 0.025 45.051 45.100 -0.123 0.000 0.623 9 G HN 0.771 nan 8.290 nan 0.000 0.514 10 R N 1.218 121.659 120.500 -0.098 0.000 2.221 10 R HA 0.486 4.826 4.340 -0.001 0.000 0.327 10 R C 1.214 177.497 176.300 -0.028 0.000 1.033 10 R CA 0.508 56.554 56.100 -0.091 0.000 0.887 10 R CB 0.715 30.997 30.300 -0.030 0.000 1.057 10 R HN 0.356 nan 8.270 nan 0.000 0.455 11 T N -2.373 112.116 114.554 -0.108 0.000 3.092 11 T HA 0.206 4.556 4.350 -0.001 0.000 0.258 11 T C 0.428 174.848 174.700 -0.467 0.000 1.031 11 T CA -0.253 61.767 62.100 -0.133 0.000 0.925 11 T CB 0.434 69.203 68.868 -0.165 0.000 1.036 11 T HN 0.265 nan 8.240 nan 0.000 0.544 12 S N 1.102 116.593 115.700 -0.348 0.000 2.588 12 S HA 0.798 5.267 4.470 -0.001 0.000 0.275 12 S C -0.855 173.689 174.600 -0.093 0.000 1.130 12 S CA -1.080 56.845 58.200 -0.459 0.000 0.855 12 S CB 1.780 64.767 63.200 -0.355 0.000 1.116 12 S HN 0.585 nan 8.310 nan 0.000 0.472 13 I N -1.146 119.392 120.570 -0.053 0.000 2.892 13 I HA 0.927 5.096 4.170 -0.001 0.000 0.306 13 I C -1.036 175.158 176.117 0.128 0.000 1.078 13 I CA -1.105 60.279 61.300 0.141 0.000 1.032 13 I CB 1.843 39.928 38.000 0.141 0.000 1.229 13 I HN 0.428 nan 8.210 nan 0.000 0.435 14 V N 3.287 123.297 119.914 0.161 0.000 2.604 14 V HA 0.418 4.538 4.120 -0.001 0.000 0.305 14 V C -1.079 175.045 176.094 0.050 0.000 1.043 14 V CA -0.350 61.999 62.300 0.082 0.000 0.888 14 V CB 1.581 33.391 31.823 -0.021 0.000 0.995 14 V HN 0.877 nan 8.190 nan 0.000 0.429 15 H N 6.886 125.920 119.070 -0.061 0.000 2.911 15 H HA 0.388 4.944 4.556 -0.001 0.000 0.273 15 H C -0.295 174.958 175.328 -0.125 0.000 1.157 15 H CA -0.463 55.568 56.048 -0.027 0.000 1.402 15 H CB 0.352 30.123 29.762 0.015 0.000 1.463 15 H HN 0.616 nan 8.280 nan 0.000 0.475 16 L N 7.456 128.556 121.223 -0.205 0.000 2.423 16 L HA 0.114 4.454 4.340 -0.001 0.000 0.249 16 L C 0.307 177.027 176.870 -0.251 0.000 1.276 16 L CA -0.429 53.983 54.840 -0.713 0.000 1.199 16 L CB -0.692 40.674 42.059 -1.155 0.000 1.407 16 L HN 0.542 nan 8.230 nan 0.000 0.410 17 F N 4.235 123.916 119.950 -0.448 0.000 2.569 17 F HA -0.099 4.427 4.527 -0.001 0.000 0.395 17 F C 1.155 177.178 175.800 0.373 0.000 1.028 17 F CA 0.350 58.197 58.000 -0.254 0.000 1.158 17 F CB 0.172 38.926 39.000 -0.409 0.000 1.023 17 F HN 0.528 nan 8.300 nan 0.000 0.547 18 E N 2.538 122.780 120.200 0.069 0.000 3.496 18 E HA -0.285 4.064 4.350 -0.001 0.000 0.300 18 E C -0.705 176.023 176.600 0.212 0.000 0.877 18 E CA 0.840 57.270 56.400 0.050 0.000 1.050 18 E CB -1.538 28.072 29.700 -0.150 0.000 1.532 18 E HN 0.634 nan 8.360 nan 0.000 0.447 19 W N 1.879 123.110 121.300 -0.115 0.000 2.170 19 W HA 0.198 4.857 4.660 -0.001 0.000 0.336 19 W C 1.570 177.932 176.519 -0.262 0.000 1.283 19 W CA -0.039 57.115 57.345 -0.319 0.000 1.224 19 W CB 0.313 29.594 29.460 -0.298 0.000 1.132 19 W HN -0.123 nan 8.180 nan 0.000 0.571 20 R N 2.041 122.461 120.500 -0.133 0.000 2.531 20 R HA 0.075 4.415 4.340 -0.001 0.000 0.273 20 R C 1.070 177.402 176.300 0.054 0.000 1.070 20 R CA -0.464 55.487 56.100 -0.248 0.000 1.112 20 R CB 0.554 30.725 30.300 -0.215 0.000 1.049 20 R HN 0.722 nan 8.270 nan 0.000 0.508 21 W N 0.515 121.862 121.300 0.079 0.000 2.321 21 W HA -0.235 4.425 4.660 -0.001 0.000 0.306 21 W C 2.011 178.541 176.519 0.019 0.000 1.217 21 W CA 0.095 57.474 57.345 0.056 0.000 1.257 21 W CB -0.339 29.169 29.460 0.081 0.000 1.145 21 W HN 0.425 nan 8.180 nan 0.000 0.509 22 V N 1.110 121.161 119.914 0.229 0.000 2.407 22 V HA -0.255 3.865 4.120 -0.001 0.000 0.248 22 V C 1.748 177.892 176.094 0.083 0.000 1.055 22 V CA 2.283 64.656 62.300 0.121 0.000 1.049 22 V CB -0.519 31.345 31.823 0.069 0.000 0.662 22 V HN 0.089 nan 8.190 nan 0.000 0.455 23 D N -0.184 120.251 120.400 0.059 0.000 2.149 23 D HA -0.077 4.562 4.640 -0.001 0.000 0.201 23 D C 2.072 178.491 176.300 0.198 0.000 0.972 23 D CA 1.614 55.630 54.000 0.027 0.000 0.835 23 D CB 0.005 40.690 40.800 -0.192 0.000 0.966 23 D HN 0.486 nan 8.370 nan 0.000 0.476 24 I N 1.369 122.100 120.570 0.267 0.000 2.252 24 I HA -0.204 3.965 4.170 -0.001 0.000 0.245 24 I C 2.594 178.771 176.117 0.100 0.000 1.102 24 I CA 0.666 62.099 61.300 0.221 0.000 1.385 24 I CB -0.196 37.931 38.000 0.212 0.000 1.064 24 I HN -0.102 nan 8.210 nan 0.000 0.414 25 A N 1.196 124.064 122.820 0.081 0.000 1.883 25 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 25 A C 2.295 179.902 177.584 0.037 0.000 1.186 25 A CA 1.516 53.567 52.037 0.023 0.000 0.624 25 A CB -0.888 18.125 19.000 0.022 0.000 0.822 25 A HN 0.368 nan 8.150 nan 0.000 0.444 26 L N -1.110 120.150 121.223 0.061 0.000 2.046 26 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 26 L C 2.652 179.575 176.870 0.088 0.000 1.077 26 L CA 1.686 56.563 54.840 0.061 0.000 0.747 26 L CB -0.427 41.661 42.059 0.049 0.000 0.896 26 L HN 0.464 nan 8.230 nan 0.000 0.432 27 E N -0.285 119.991 120.200 0.127 0.000 2.110 27 E HA -0.212 4.138 4.350 -0.001 0.000 0.193 27 E C 2.251 178.924 176.600 0.121 0.000 0.988 27 E CA 1.563 58.062 56.400 0.165 0.000 0.804 27 E CB -0.253 29.584 29.700 0.227 0.000 0.745 27 E HN 0.435 nan 8.360 nan 0.000 0.458 28 c N 0.551 119.186 118.600 0.057 0.000 2.432 28 c HA -0.106 4.464 4.570 -0.001 0.000 0.277 28 c C 2.387 176.502 174.090 0.043 0.000 1.249 28 c CA 1.188 57.532 56.329 0.025 0.000 1.725 28 c CB -0.922 41.572 42.510 -0.026 0.000 2.028 28 c HN 0.540 nan 8.230 nan 0.000 0.477 29 E N 0.515 120.742 120.200 0.044 0.000 2.046 29 E HA -0.176 4.173 4.350 -0.001 0.000 0.190 29 E C 2.356 178.997 176.600 0.068 0.000 0.982 29 E CA 1.043 57.470 56.400 0.046 0.000 0.800 29 E CB -0.245 29.477 29.700 0.036 0.000 0.756 29 E HN 0.699 nan 8.360 nan 0.000 0.449 30 R N -0.894 119.664 120.500 0.097 0.000 2.240 30 R HA -0.019 4.321 4.340 -0.001 0.000 0.203 30 R C 1.192 177.608 176.300 0.194 0.000 1.011 30 R CA 1.008 57.181 56.100 0.122 0.000 1.007 30 R CB 0.081 30.449 30.300 0.115 0.000 0.911 30 R HN 0.274 nan 8.270 nan 0.000 0.468 31 Y N -0.011 120.314 120.300 0.042 0.000 3.260 31 Y HA 0.242 4.791 4.550 -0.001 0.000 0.202 31 Y C 1.745 177.679 175.900 0.056 0.000 0.962 31 Y CA -0.245 57.881 58.100 0.044 0.000 1.582 31 Y CB 0.133 38.605 38.460 0.021 0.000 1.478 31 Y HN -0.160 nan 8.280 nan 0.000 0.384 32 L N 0.527 121.784 121.223 0.057 0.000 2.042 32 L HA -0.147 4.192 4.340 -0.001 0.000 0.210 32 L C 2.474 179.399 176.870 0.092 0.000 1.076 32 L CA 1.745 56.575 54.840 -0.016 0.000 0.749 32 L CB -1.115 40.934 42.059 -0.017 0.000 0.893 32 L HN 0.514 nan 8.230 nan 0.000 0.432 33 G N 0.438 109.275 108.800 0.061 0.000 2.484 33 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.215 33 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.215 33 G C -0.607 174.347 174.900 0.089 0.000 1.219 33 G CA 0.758 45.898 45.100 0.067 0.000 0.791 33 G HN 0.302 nan 8.290 nan 0.000 0.550 34 P HA -0.045 nan 4.420 nan 0.000 0.216 34 P C 1.491 178.866 177.300 0.125 0.000 1.150 34 P CA 1.140 64.282 63.100 0.070 0.000 0.837 34 P CB 0.134 31.845 31.700 0.019 0.000 0.786 35 K N -1.360 119.080 120.400 0.068 0.000 2.476 35 K HA 0.245 4.565 4.320 -0.001 0.000 0.196 35 K C 1.214 178.099 176.600 0.475 0.000 1.025 35 K CA 0.565 56.965 56.287 0.189 0.000 1.138 35 K CB -0.854 31.556 32.500 -0.150 0.000 0.860 35 K HN 0.181 nan 8.250 nan 0.000 0.515 36 G N 1.544 110.564 108.800 0.366 0.000 2.153 36 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.252 36 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.252 36 G C -0.129 174.795 174.900 0.040 0.000 0.994 36 G CA -0.208 44.966 45.100 0.123 0.000 0.698 36 G HN 0.226 nan 8.290 nan 0.000 0.521 37 F N 0.636 120.603 119.950 0.028 0.000 2.484 37 F HA 0.480 5.006 4.527 -0.001 0.000 0.360 37 F C 1.839 177.658 175.800 0.032 0.000 1.101 37 F CA 0.822 58.842 58.000 0.034 0.000 1.251 37 F CB 1.264 40.302 39.000 0.064 0.000 1.132 37 F HN -0.005 nan 8.300 nan 0.000 0.570 38 G N 1.722 110.626 108.800 0.172 0.000 2.421 38 G HA2 0.365 4.324 3.960 -0.001 0.000 0.217 38 G HA3 0.365 4.324 3.960 -0.001 0.000 0.217 38 G C 0.559 175.612 174.900 0.255 0.000 1.143 38 G CA 0.727 45.935 45.100 0.180 0.000 0.784 38 G HN 1.028 nan 8.290 nan 0.000 0.541 39 G N -2.210 106.775 108.800 0.309 0.000 2.428 39 G HA2 0.455 4.414 3.960 -0.001 0.000 0.304 39 G HA3 0.455 4.414 3.960 -0.001 0.000 0.304 39 G C -2.214 172.854 174.900 0.280 0.000 1.303 39 G CA -0.181 45.120 45.100 0.334 0.000 0.825 39 G HN 0.501 nan 8.290 nan 0.000 0.484 40 V N 0.421 120.491 119.914 0.259 0.000 2.638 40 V HA 0.557 4.676 4.120 -0.001 0.000 0.306 40 V C -0.265 175.995 176.094 0.278 0.000 1.052 40 V CA -0.641 61.757 62.300 0.163 0.000 0.885 40 V CB 1.686 33.508 31.823 -0.002 0.000 0.999 40 V HN 0.864 nan 8.190 nan 0.000 0.424 41 Q N 3.589 123.556 119.800 0.279 0.000 2.322 41 Q HA 0.604 4.944 4.340 -0.001 0.000 0.256 41 Q C -0.591 175.615 176.000 0.343 0.000 0.960 41 Q CA -0.439 55.558 55.803 0.324 0.000 0.934 41 Q CB 1.751 30.626 28.738 0.228 0.000 1.200 41 Q HN 0.808 nan 8.270 nan 0.000 0.435 42 V N 1.311 121.414 119.914 0.316 0.000 2.837 42 V HA 0.567 4.686 4.120 -0.001 0.000 0.310 42 V C 0.169 176.554 176.094 0.485 0.000 1.059 42 V CA -0.783 61.767 62.300 0.417 0.000 1.004 42 V CB 1.629 33.666 31.823 0.358 0.000 1.045 42 V HN 0.764 nan 8.190 nan 0.000 0.465 43 S N 2.757 118.800 115.700 0.572 0.000 2.589 43 S HA 0.337 4.806 4.470 -0.001 0.000 0.265 43 S C -2.369 172.484 174.600 0.423 0.000 1.342 43 S CA -0.373 58.110 58.200 0.471 0.000 1.005 43 S CB 0.221 63.639 63.200 0.365 0.000 0.909 43 S HN 0.845 nan 8.310 nan 0.000 0.555 44 P HA 0.045 nan 4.420 nan 0.000 0.256 44 P C -1.861 175.618 177.300 0.299 0.000 1.173 44 P CA -0.661 62.554 63.100 0.193 0.000 0.768 44 P CB 0.104 31.792 31.700 -0.020 0.000 0.758 45 P HA -0.057 nan 4.420 nan 0.000 0.249 45 P C -0.189 177.230 177.300 0.199 0.000 1.229 45 P CA 0.616 63.938 63.100 0.370 0.000 0.788 45 P CB 0.230 31.894 31.700 -0.060 0.000 1.072 46 N N 0.536 119.329 118.700 0.155 0.000 2.495 46 N HA 0.056 4.795 4.740 -0.001 0.000 0.280 46 N C -0.247 175.267 175.510 0.006 0.000 1.168 46 N CA -0.464 52.608 53.050 0.038 0.000 0.978 46 N CB 1.369 39.787 38.487 -0.115 0.000 1.191 46 N HN -0.046 nan 8.380 nan 0.000 0.497 47 E N 0.376 120.556 120.200 -0.033 0.000 2.465 47 E HA -0.063 4.287 4.350 -0.001 0.000 0.260 47 E C -0.385 176.190 176.600 -0.042 0.000 0.980 47 E CA -0.089 56.295 56.400 -0.027 0.000 0.927 47 E CB 0.321 30.003 29.700 -0.031 0.000 0.934 47 E HN 0.724 nan 8.360 nan 0.000 0.459 48 N N 4.411 123.103 118.700 -0.013 0.000 2.453 48 N HA 0.293 5.033 4.740 -0.001 0.000 0.290 48 N C -0.476 175.043 175.510 0.014 0.000 1.250 48 N CA -0.780 52.271 53.050 0.002 0.000 0.815 48 N CB 1.084 39.575 38.487 0.008 0.000 1.381 48 N HN 0.431 nan 8.380 nan 0.000 0.510 49 I N 1.030 121.622 120.570 0.037 0.000 2.575 49 I HA 0.094 4.263 4.170 -0.001 0.000 0.285 49 I C -0.238 175.883 176.117 0.006 0.000 1.085 49 I CA -0.651 60.666 61.300 0.029 0.000 1.403 49 I CB 0.982 39.015 38.000 0.054 0.000 1.409 49 I HN 0.240 nan 8.210 nan 0.000 0.557 50 V N 7.796 127.701 119.914 -0.014 0.000 2.530 50 V HA 0.146 4.266 4.120 -0.001 0.000 0.282 50 V C -0.018 176.048 176.094 -0.047 0.000 1.048 50 V CA -0.370 61.908 62.300 -0.037 0.000 0.997 50 V CB 1.246 33.046 31.823 -0.038 0.000 0.987 50 V HN 0.417 nan 8.190 nan 0.000 0.477 51 V N 4.837 124.698 119.914 -0.088 0.000 2.357 51 V HA 0.283 4.403 4.120 -0.001 0.000 0.284 51 V C 1.007 177.013 176.094 -0.145 0.000 1.018 51 V CA 0.147 62.379 62.300 -0.112 0.000 0.841 51 V CB 1.518 33.224 31.823 -0.196 0.000 0.991 51 V HN 1.062 nan 8.190 nan 0.000 0.437 52 T N 0.070 114.557 114.554 -0.112 0.000 3.044 52 T HA 0.142 4.491 4.350 -0.001 0.000 0.250 52 T C 0.594 175.205 174.700 -0.148 0.000 1.081 52 T CA 0.090 62.122 62.100 -0.114 0.000 1.040 52 T CB -0.085 68.737 68.868 -0.076 0.000 0.962 52 T HN 0.448 nan 8.240 nan 0.000 0.506 53 N N 2.774 121.378 118.700 -0.159 0.000 2.609 53 N HA 0.392 5.131 4.740 -0.001 0.000 0.268 53 N C -2.897 172.490 175.510 -0.205 0.000 1.106 53 N CA -1.672 51.265 53.050 -0.189 0.000 0.823 53 N CB 1.679 40.098 38.487 -0.114 0.000 1.263 53 N HN 0.123 nan 8.380 nan 0.000 0.533 54 P HA 0.131 nan 4.420 nan 0.000 0.275 54 P C -0.301 176.697 177.300 -0.503 0.000 1.266 54 P CA -0.423 62.245 63.100 -0.721 0.000 0.793 54 P CB 0.659 31.362 31.700 -1.661 0.000 1.074 55 S N 1.526 116.997 115.700 -0.381 0.000 2.429 55 S HA 0.056 4.526 4.470 -0.001 0.000 0.292 55 S C 0.139 174.704 174.600 -0.057 0.000 1.183 55 S CA -0.354 57.760 58.200 -0.144 0.000 1.088 55 S CB -1.079 62.100 63.200 -0.036 0.000 1.018 55 S HN 0.371 nan 8.310 nan 0.000 0.511 56 R N 1.634 122.052 120.500 -0.137 0.000 3.127 56 R HA -0.109 4.231 4.340 -0.001 0.000 0.247 56 R C -2.628 173.586 176.300 -0.143 0.000 0.896 56 R CA 0.260 56.277 56.100 -0.137 0.000 0.624 56 R CB -2.821 27.432 30.300 -0.078 0.000 1.154 56 R HN 0.513 nan 8.270 nan 0.000 0.474 57 P HA -0.003 nan 4.420 nan 0.000 0.274 57 P C 1.498 178.553 177.300 -0.408 0.000 1.246 57 P CA -0.531 62.288 63.100 -0.467 0.000 0.795 57 P CB 0.245 31.073 31.700 -1.453 0.000 1.006 58 W N 2.367 123.598 121.300 -0.115 0.000 2.374 58 W HA -0.108 4.552 4.660 -0.001 0.000 0.288 58 W C 1.704 178.382 176.519 0.266 0.000 1.218 58 W CA 0.756 58.159 57.345 0.098 0.000 1.245 58 W CB -1.769 27.895 29.460 0.341 0.000 1.126 58 W HN 0.459 nan 8.180 nan 0.000 0.545 59 W N 3.522 124.451 121.300 -0.618 0.000 2.961 59 W HA -0.011 4.649 4.660 -0.001 0.000 0.240 59 W C 1.566 178.069 176.519 -0.026 0.000 1.305 59 W CA 0.942 58.018 57.345 -0.449 0.000 1.465 59 W CB -1.347 27.485 29.460 -1.048 0.000 1.135 59 W HN 0.226 nan 8.180 nan 0.000 0.688 60 E N 1.831 122.038 120.200 0.011 0.000 2.268 60 E HA -0.164 4.185 4.350 -0.001 0.000 0.195 60 E C 1.825 178.494 176.600 0.115 0.000 0.995 60 E CA 0.789 57.235 56.400 0.076 0.000 0.836 60 E CB -0.551 29.086 29.700 -0.104 0.000 0.763 60 E HN 0.258 nan 8.360 nan 0.000 0.491 61 R N -0.356 120.198 120.500 0.090 0.000 2.316 61 R HA -0.035 4.305 4.340 -0.001 0.000 0.202 61 R C 0.455 176.635 176.300 -0.199 0.000 1.029 61 R CA 0.751 56.822 56.100 -0.050 0.000 1.018 61 R CB -0.085 30.164 30.300 -0.085 0.000 0.888 61 R HN 0.340 nan 8.270 nan 0.000 0.471 62 Y N 0.276 120.744 120.300 0.281 0.000 2.625 62 Y HA 0.191 4.740 4.550 -0.001 0.000 0.285 62 Y C 0.190 176.282 175.900 0.320 0.000 1.168 62 Y CA -0.068 58.223 58.100 0.319 0.000 1.250 62 Y CB 0.593 39.276 38.460 0.372 0.000 1.130 62 Y HN -0.090 nan 8.280 nan 0.000 0.526 63 Q N 1.139 121.100 119.800 0.269 0.000 2.907 63 Q HA 0.271 4.610 4.340 -0.001 0.000 0.262 63 Q C -2.731 173.336 176.000 0.111 0.000 0.997 63 Q CA -2.091 53.845 55.803 0.222 0.000 0.797 63 Q CB 1.336 30.191 28.738 0.196 0.000 1.228 63 Q HN 0.076 nan 8.270 nan 0.000 0.466 64 P HA -0.073 nan 4.420 nan 0.000 0.269 64 P C 0.417 177.660 177.300 -0.093 0.000 1.209 64 P CA 0.106 63.161 63.100 -0.075 0.000 0.776 64 P CB 0.984 32.586 31.700 -0.163 0.000 0.876 65 V N -0.642 119.223 119.914 -0.082 0.000 3.548 65 V HA 0.349 4.469 4.120 -0.001 0.000 0.279 65 V C 0.282 176.360 176.094 -0.026 0.000 1.446 65 V CA 0.769 63.120 62.300 0.085 0.000 1.023 65 V CB -0.108 31.804 31.823 0.149 0.000 0.820 65 V HN 0.672 nan 8.190 nan 0.000 0.438 66 S N -1.336 114.197 115.700 -0.279 0.000 2.655 66 S HA 0.579 5.048 4.470 -0.001 0.000 0.266 66 S C -0.855 173.345 174.600 -0.666 0.000 1.149 66 S CA -0.238 57.699 58.200 -0.439 0.000 0.818 66 S CB 0.799 63.897 63.200 -0.170 0.000 1.130 66 S HN 0.077 nan 8.310 nan 0.000 0.476 67 Y N 0.917 121.060 120.300 -0.261 0.000 2.555 67 Y HA 0.455 5.005 4.550 -0.001 0.000 0.259 67 Y C 0.654 176.431 175.900 -0.206 0.000 1.179 67 Y CA -0.740 57.091 58.100 -0.450 0.000 1.230 67 Y CB -0.045 38.076 38.460 -0.565 0.000 1.146 67 Y HN 0.402 nan 8.280 nan 0.000 0.526 68 K N 1.278 121.662 120.400 -0.026 0.000 2.401 68 K HA 0.180 4.500 4.320 -0.001 0.000 0.278 68 K C -0.208 176.415 176.600 0.038 0.000 1.018 68 K CA -0.049 56.254 56.287 0.025 0.000 0.981 68 K CB 0.668 33.179 32.500 0.017 0.000 0.933 68 K HN 0.172 nan 8.250 nan 0.000 0.477 69 L N 3.822 125.077 121.223 0.054 0.000 2.384 69 L HA 0.132 4.472 4.340 -0.001 0.000 0.258 69 L C -0.236 176.709 176.870 0.124 0.000 1.266 69 L CA -0.477 54.389 54.840 0.043 0.000 1.162 69 L CB -0.149 41.864 42.059 -0.077 0.000 1.375 69 L HN 0.594 nan 8.230 nan 0.000 0.420 70 c N 2.248 120.918 118.600 0.117 0.000 2.781 70 c HA 0.632 5.202 4.570 -0.001 0.000 0.348 70 c C 0.371 174.506 174.090 0.076 0.000 1.051 70 c CA -0.156 56.237 56.329 0.107 0.000 1.347 70 c CB 0.535 43.086 42.510 0.068 0.000 1.846 70 c HN 0.852 nan 8.230 nan 0.000 0.473 71 T N 1.755 116.352 114.554 0.072 0.000 2.696 71 T HA 0.500 4.850 4.350 -0.001 0.000 0.291 71 T C 0.958 175.609 174.700 -0.082 0.000 1.095 71 T CA -0.660 61.441 62.100 0.002 0.000 1.026 71 T CB 1.068 69.950 68.868 0.023 0.000 1.390 71 T HN 0.505 nan 8.240 nan 0.000 0.513 72 R N 0.098 120.528 120.500 -0.117 0.000 2.237 72 R HA 0.043 4.382 4.340 -0.001 0.000 0.219 72 R C 2.122 178.263 176.300 -0.265 0.000 1.080 72 R CA 0.958 56.969 56.100 -0.148 0.000 0.995 72 R CB -0.400 29.829 30.300 -0.118 0.000 0.875 72 R HN 0.551 nan 8.270 nan 0.000 0.462 73 S N -0.493 114.928 115.700 -0.464 0.000 2.461 73 S HA 0.116 4.585 4.470 -0.001 0.000 0.228 73 S C 0.779 174.783 174.600 -0.992 0.000 1.005 73 S CA 0.736 58.379 58.200 -0.928 0.000 0.942 73 S CB 0.629 62.716 63.200 -1.855 0.000 0.776 73 S HN 0.636 nan 8.310 nan 0.000 0.514 74 G N 1.329 109.801 108.800 -0.546 0.000 2.368 74 G HA2 0.174 4.134 3.960 -0.001 0.000 0.302 74 G HA3 0.174 4.134 3.960 -0.001 0.000 0.302 74 G C -1.356 173.661 174.900 0.195 0.000 1.329 74 G CA -0.662 44.358 45.100 -0.134 0.000 0.935 74 G HN 0.314 nan 8.290 nan 0.000 0.590 75 N N -0.666 118.190 118.700 0.260 0.000 2.495 75 N HA 0.398 5.137 4.740 -0.001 0.000 0.294 75 N C 1.086 176.796 175.510 0.333 0.000 1.276 75 N CA 0.103 53.301 53.050 0.246 0.000 0.973 75 N CB 0.826 39.405 38.487 0.153 0.000 1.143 75 N HN 0.757 nan 8.380 nan 0.000 0.589 76 E N -0.371 119.966 120.200 0.228 0.000 2.077 76 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 76 E C 1.037 177.775 176.600 0.230 0.000 0.989 76 E CA 1.224 57.754 56.400 0.218 0.000 0.800 76 E CB -0.232 29.552 29.700 0.141 0.000 0.746 76 E HN 0.636 nan 8.360 nan 0.000 0.452 77 N N 0.071 118.880 118.700 0.182 0.000 2.104 77 N HA -0.181 4.558 4.740 -0.001 0.000 0.190 77 N C 1.689 177.299 175.510 0.166 0.000 1.024 77 N CA 1.436 54.575 53.050 0.149 0.000 0.853 77 N CB -0.027 38.530 38.487 0.116 0.000 1.008 77 N HN 0.230 nan 8.380 nan 0.000 0.424 78 E N 0.025 120.363 120.200 0.230 0.000 2.106 78 E HA -0.166 4.184 4.350 -0.001 0.000 0.192 78 E C 1.529 178.282 176.600 0.255 0.000 0.984 78 E CA 0.619 57.180 56.400 0.269 0.000 0.806 78 E CB -0.091 29.820 29.700 0.351 0.000 0.750 78 E HN 0.350 nan 8.360 nan 0.000 0.458 79 F N 1.855 121.862 119.950 0.096 0.000 2.113 79 F HA -0.125 4.401 4.527 -0.001 0.000 0.297 79 F C 2.222 177.895 175.800 -0.212 0.000 1.103 79 F CA 1.462 59.260 58.000 -0.336 0.000 1.248 79 F CB 0.078 38.856 39.000 -0.371 0.000 0.999 79 F HN -0.218 nan 8.300 nan 0.000 0.475 80 R N 0.007 120.534 120.500 0.046 0.000 2.091 80 R HA -0.212 4.127 4.340 -0.001 0.000 0.238 80 R C 1.978 178.221 176.300 -0.094 0.000 1.136 80 R CA 1.867 57.960 56.100 -0.013 0.000 0.959 80 R CB -0.863 29.498 30.300 0.102 0.000 0.856 80 R HN 0.365 nan 8.270 nan 0.000 0.437 81 D N 0.476 120.855 120.400 -0.036 0.000 2.123 81 D HA -0.211 4.429 4.640 -0.001 0.000 0.196 81 D C 1.954 178.192 176.300 -0.102 0.000 0.992 81 D CA 1.323 55.307 54.000 -0.027 0.000 0.833 81 D CB 0.040 40.857 40.800 0.029 0.000 0.954 81 D HN 0.115 nan 8.370 nan 0.000 0.455 82 M N -0.279 119.215 119.600 -0.176 0.000 2.086 82 M HA -0.158 4.322 4.480 -0.001 0.000 0.261 82 M C 1.841 177.920 176.300 -0.367 0.000 1.067 82 M CA 1.336 56.493 55.300 -0.239 0.000 1.116 82 M CB -0.075 32.353 32.600 -0.288 0.000 1.348 82 M HN 0.013 nan 8.290 nan 0.000 0.407 83 V N 0.594 120.184 119.914 -0.540 0.000 2.343 83 V HA -0.266 3.854 4.120 -0.001 0.000 0.247 83 V C 2.334 178.106 176.094 -0.537 0.000 1.051 83 V CA 2.364 64.319 62.300 -0.575 0.000 1.036 83 V CB -1.309 30.154 31.823 -0.601 0.000 0.654 83 V HN 0.591 nan 8.190 nan 0.000 0.451 84 T N -0.287 114.059 114.554 -0.346 0.000 2.674 84 T HA -0.199 4.151 4.350 -0.001 0.000 0.265 84 T C 2.089 176.681 174.700 -0.181 0.000 1.039 84 T CA 1.685 63.663 62.100 -0.203 0.000 1.150 84 T CB -0.247 68.660 68.868 0.065 0.000 0.864 84 T HN 0.410 nan 8.240 nan 0.000 0.427 85 R N 0.053 120.473 120.500 -0.134 0.000 2.081 85 R HA -0.042 4.298 4.340 -0.001 0.000 0.235 85 R C 2.805 179.023 176.300 -0.137 0.000 1.131 85 R CA 1.376 57.423 56.100 -0.088 0.000 0.960 85 R CB -0.757 29.511 30.300 -0.053 0.000 0.856 85 R HN 0.378 nan 8.270 nan 0.000 0.436 86 c N 0.575 119.046 118.600 -0.215 0.000 2.453 86 c HA -0.015 4.555 4.570 -0.001 0.000 0.277 86 c C 2.320 176.233 174.090 -0.295 0.000 1.262 86 c CA 0.430 56.628 56.329 -0.219 0.000 1.718 86 c CB -0.953 41.412 42.510 -0.241 0.000 2.031 86 c HN 0.510 nan 8.230 nan 0.000 0.480 87 N N 1.585 119.971 118.700 -0.523 0.000 2.166 87 N HA -0.096 4.643 4.740 -0.001 0.000 0.186 87 N C 1.312 176.564 175.510 -0.430 0.000 1.019 87 N CA 1.107 53.692 53.050 -0.776 0.000 0.856 87 N CB -0.630 36.725 38.487 -1.886 0.000 0.993 87 N HN 0.512 nan 8.380 nan 0.000 0.426 88 N N 0.346 118.929 118.700 -0.196 0.000 2.364 88 N HA -0.083 4.657 4.740 -0.001 0.000 0.183 88 N C 1.271 176.786 175.510 0.008 0.000 1.022 88 N CA 0.565 53.648 53.050 0.055 0.000 0.883 88 N CB 0.092 38.643 38.487 0.107 0.000 0.965 88 N HN 0.257 nan 8.380 nan 0.000 0.438 89 V N -4.327 115.560 119.914 -0.045 0.000 3.271 89 V HA 0.555 4.674 4.120 -0.001 0.000 0.327 89 V C 1.081 177.158 176.094 -0.028 0.000 1.389 89 V CA 0.054 62.343 62.300 -0.019 0.000 1.156 89 V CB -0.066 31.753 31.823 -0.007 0.000 1.103 89 V HN 0.158 nan 8.190 nan 0.000 0.453 90 G N 0.282 109.043 108.800 -0.066 0.000 2.147 90 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.244 90 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.244 90 G C -0.054 174.811 174.900 -0.058 0.000 1.005 90 G CA 0.172 45.233 45.100 -0.067 0.000 0.713 90 G HN 0.957 nan 8.290 nan 0.000 0.515 91 V N 1.820 121.680 119.914 -0.090 0.000 2.409 91 V HA 0.600 4.720 4.120 -0.001 0.000 0.291 91 V C 0.509 176.524 176.094 -0.131 0.000 1.020 91 V CA -1.349 60.921 62.300 -0.050 0.000 0.848 91 V CB 1.507 33.316 31.823 -0.024 0.000 0.990 91 V HN 0.328 nan 8.190 nan 0.000 0.430 92 R N 3.983 124.437 120.500 -0.076 0.000 2.577 92 R HA 0.554 4.893 4.340 -0.001 0.000 0.269 92 R C -0.603 175.512 176.300 -0.308 0.000 1.084 92 R CA -0.722 55.250 56.100 -0.214 0.000 1.163 92 R CB 0.912 31.095 30.300 -0.197 0.000 1.100 92 R HN 0.426 nan 8.270 nan 0.000 0.547 93 I N 2.383 122.645 120.570 -0.512 0.000 2.406 93 I HA 0.293 4.462 4.170 -0.001 0.000 0.290 93 I C -0.714 175.022 176.117 -0.635 0.000 0.999 93 I CA -0.897 60.146 61.300 -0.428 0.000 1.124 93 I CB 1.154 38.906 38.000 -0.413 0.000 1.289 93 I HN 0.430 nan 8.210 nan 0.000 0.441 94 Y N 4.723 125.013 120.300 -0.016 0.000 2.331 94 Y HA 0.445 4.995 4.550 -0.001 0.000 0.334 94 Y C 0.221 176.121 175.900 -0.001 0.000 0.960 94 Y CA -0.903 57.185 58.100 -0.020 0.000 1.130 94 Y CB 1.988 40.575 38.460 0.213 0.000 1.164 94 Y HN 0.187 nan 8.280 nan 0.000 0.458 95 V N 3.261 123.190 119.914 0.024 0.000 2.498 95 V HA 0.053 4.173 4.120 -0.001 0.000 0.279 95 V C -0.034 176.187 176.094 0.211 0.000 1.048 95 V CA -0.577 61.825 62.300 0.169 0.000 0.967 95 V CB 1.270 33.231 31.823 0.230 0.000 0.988 95 V HN 0.668 nan 8.190 nan 0.000 0.473 96 D N 4.622 125.148 120.400 0.210 0.000 2.383 96 D HA 0.263 4.903 4.640 -0.001 0.000 0.245 96 D C 0.192 176.613 176.300 0.201 0.000 1.263 96 D CA -0.119 53.989 54.000 0.180 0.000 0.936 96 D CB 1.004 41.944 40.800 0.232 0.000 1.053 96 D HN 0.664 nan 8.370 nan 0.000 0.507 97 A N 4.289 127.199 122.820 0.150 0.000 2.343 97 A HA 0.362 4.681 4.320 -0.001 0.000 0.305 97 A C -0.027 177.624 177.584 0.112 0.000 1.308 97 A CA -0.625 51.485 52.037 0.121 0.000 0.949 97 A CB 0.400 19.354 19.000 -0.076 0.000 1.148 97 A HN 0.379 nan 8.150 nan 0.000 0.545 98 V N 5.518 125.519 119.914 0.144 0.000 2.304 98 V HA 0.198 4.318 4.120 -0.001 0.000 0.262 98 V C 0.896 176.980 176.094 -0.016 0.000 1.061 98 V CA 0.316 62.653 62.300 0.062 0.000 0.872 98 V CB -0.227 31.639 31.823 0.073 0.000 1.077 98 V HN 0.880 nan 8.190 nan 0.000 0.480 99 I N 0.977 121.511 120.570 -0.060 0.000 4.439 99 I HA 0.334 4.503 4.170 -0.001 0.000 0.331 99 I C 1.494 177.566 176.117 -0.075 0.000 1.345 99 I CA 0.217 61.492 61.300 -0.041 0.000 1.193 99 I CB 0.239 38.218 38.000 -0.035 0.000 1.221 99 I HN 0.483 nan 8.210 nan 0.000 0.429 100 N N 1.619 120.248 118.700 -0.117 0.000 2.409 100 N HA -0.071 4.669 4.740 -0.001 0.000 0.179 100 N C 0.333 175.875 175.510 0.053 0.000 1.032 100 N CA 1.261 54.321 53.050 0.016 0.000 0.898 100 N CB 0.012 38.610 38.487 0.185 0.000 0.971 100 N HN 0.797 nan 8.380 nan 0.000 0.441 101 H N -4.523 114.575 119.070 0.046 0.000 2.918 101 H HA 0.464 5.020 4.556 -0.001 0.000 0.303 101 H C -0.515 174.820 175.328 0.011 0.000 1.380 101 H CA -1.065 55.005 56.048 0.038 0.000 1.134 101 H CB 0.526 30.314 29.762 0.043 0.000 1.842 101 H HN -0.266 nan 8.280 nan 0.000 0.533 102 M N 0.303 119.992 119.600 0.149 0.000 2.325 102 M HA 0.395 4.875 4.480 -0.001 0.000 0.220 102 M C 0.765 177.137 176.300 0.120 0.000 0.728 102 M CA -0.663 54.599 55.300 -0.062 0.000 1.790 102 M CB 0.250 32.548 32.600 -0.504 0.000 1.150 102 M HN 0.923 nan 8.290 nan 0.000 0.887 103 C N 0.025 119.377 119.300 0.087 0.000 2.574 103 C HA 0.775 5.234 4.460 -0.001 0.000 0.335 103 C C 1.004 176.059 174.990 0.108 0.000 1.493 103 C CA -0.922 58.190 59.018 0.155 0.000 2.217 103 C CB -0.634 27.221 27.740 0.192 0.000 2.056 103 C HN 0.827 nan 8.230 nan 0.000 0.607 104 G N 0.886 109.728 108.800 0.070 0.000 2.380 104 G HA2 0.360 4.320 3.960 -0.001 0.000 0.242 104 G HA3 0.360 4.320 3.960 -0.001 0.000 0.242 104 G C 0.931 175.830 174.900 -0.002 0.000 1.298 104 G CA 0.410 45.516 45.100 0.010 0.000 0.878 104 G HN 1.488 nan 8.290 nan 0.000 0.542 105 S N 1.342 117.019 115.700 -0.038 0.000 2.469 105 S HA -0.040 4.430 4.470 -0.001 0.000 0.238 105 S C 2.020 176.581 174.600 -0.064 0.000 0.998 105 S CA 0.936 59.097 58.200 -0.064 0.000 0.957 105 S CB 0.162 63.313 63.200 -0.081 0.000 0.764 105 S HN 0.824 nan 8.310 nan 0.000 0.514 106 G N 0.537 109.307 108.800 -0.050 0.000 3.088 106 G HA2 0.543 4.503 3.960 -0.001 0.000 0.217 106 G HA3 0.543 4.503 3.960 -0.001 0.000 0.217 106 G C 0.405 175.280 174.900 -0.043 0.000 1.159 106 G CA 0.074 45.144 45.100 -0.049 0.000 0.760 106 G HN 0.760 nan 8.290 nan 0.000 0.550 107 A N 0.335 123.133 122.820 -0.036 0.000 2.425 107 A HA 0.686 5.005 4.320 -0.001 0.000 0.242 107 A C 0.853 178.398 177.584 -0.065 0.000 1.077 107 A CA 0.343 52.359 52.037 -0.034 0.000 0.781 107 A CB 0.325 19.318 19.000 -0.011 0.000 1.020 107 A HN 0.871 nan 8.150 nan 0.000 0.494 108 A N 0.696 123.477 122.820 -0.064 0.000 2.351 108 A HA 0.607 4.927 4.320 -0.001 0.000 0.257 108 A C 0.715 178.226 177.584 -0.122 0.000 1.087 108 A CA 0.165 52.156 52.037 -0.077 0.000 0.798 108 A CB -0.010 18.958 19.000 -0.054 0.000 1.033 108 A HN 2.127 nan 8.150 nan 0.000 0.488 109 A N 0.335 123.077 122.820 -0.129 0.000 2.354 109 A HA 0.741 5.060 4.320 -0.001 0.000 0.269 109 A C 0.745 178.245 177.584 -0.140 0.000 1.109 109 A CA 0.526 52.437 52.037 -0.210 0.000 0.800 109 A CB 0.077 19.004 19.000 -0.121 0.000 1.045 109 A HN 2.632 nan 8.150 nan 0.000 0.489 110 G N -0.389 108.245 108.800 -0.276 0.000 2.352 110 G HA2 0.393 4.352 3.960 -0.001 0.000 0.283 110 G HA3 0.393 4.352 3.960 -0.001 0.000 0.283 110 G C 0.053 174.923 174.900 -0.051 0.000 1.308 110 G CA 0.405 45.494 45.100 -0.018 0.000 0.892 110 G HN 1.553 nan 8.290 nan 0.000 0.504 111 T N -2.043 112.547 114.554 0.060 0.000 3.215 111 T HA 0.474 4.823 4.350 -0.001 0.000 0.271 111 T C 1.235 175.942 174.700 0.011 0.000 1.012 111 T CA 1.056 63.187 62.100 0.052 0.000 0.899 111 T CB 0.614 69.539 68.868 0.096 0.000 1.089 111 T HN 1.627 nan 8.240 nan 0.000 0.552 112 G N 2.597 111.388 108.800 -0.014 0.000 3.102 112 G HA2 0.440 4.399 3.960 -0.001 0.000 0.264 112 G HA3 0.440 4.399 3.960 -0.001 0.000 0.264 112 G C 0.169 175.056 174.900 -0.021 0.000 0.788 112 G CA -0.241 44.849 45.100 -0.017 0.000 2.029 112 G HN 0.653 nan 8.290 nan 0.000 0.608 113 T N -3.021 111.527 114.554 -0.011 0.000 2.887 113 T HA 0.482 4.831 4.350 -0.001 0.000 0.292 113 T C 1.481 176.178 174.700 -0.004 0.000 1.087 113 T CA 0.121 62.217 62.100 -0.006 0.000 1.009 113 T CB 1.516 70.384 68.868 -0.001 0.000 1.203 113 T HN 0.170 nan 8.240 nan 0.000 0.518 114 T N -2.553 111.999 114.554 -0.004 0.000 2.929 114 T HA -0.076 4.273 4.350 -0.001 0.000 0.271 114 T C 1.488 176.191 174.700 0.005 0.000 1.085 114 T CA 0.939 63.036 62.100 -0.005 0.000 1.125 114 T CB -0.644 68.219 68.868 -0.008 0.000 0.874 114 T HN 0.672 nan 8.240 nan 0.000 0.494 115 c N 0.535 119.142 118.600 0.012 0.000 3.491 115 c HA 0.680 5.249 4.570 -0.001 0.000 0.298 115 c C 2.016 176.120 174.090 0.024 0.000 1.424 115 c CA -0.070 56.271 56.329 0.021 0.000 1.772 115 c CB -0.910 41.615 42.510 0.026 0.000 2.447 115 c HN 0.915 nan 8.230 nan 0.000 0.670 116 G N 1.515 110.329 108.800 0.022 0.000 2.159 116 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.256 116 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.256 116 G C 0.198 175.127 174.900 0.048 0.000 0.977 116 G CA 0.552 45.670 45.100 0.031 0.000 0.652 116 G HN 0.568 nan 8.290 nan 0.000 0.531 117 S N -0.467 115.260 115.700 0.044 0.000 2.579 117 S HA 0.470 4.939 4.470 -0.001 0.000 0.275 117 S C -0.012 174.637 174.600 0.082 0.000 1.345 117 S CA -0.266 57.973 58.200 0.066 0.000 1.031 117 S CB 0.986 64.215 63.200 0.048 0.000 0.892 117 S HN 0.564 nan 8.310 nan 0.000 0.529 118 Y N 1.706 122.000 120.300 -0.010 0.000 2.335 118 Y HA 0.506 5.055 4.550 -0.001 0.000 0.323 118 Y C 0.090 175.950 175.900 -0.066 0.000 1.224 118 Y CA -0.914 57.165 58.100 -0.036 0.000 1.241 118 Y CB 0.615 39.052 38.460 -0.038 0.000 1.235 118 Y HN 0.891 nan 8.280 nan 0.000 0.492 119 C N 4.641 123.298 119.300 -1.071 0.000 3.171 119 C HA 0.518 4.977 4.460 -0.001 0.000 0.336 119 C C -1.601 172.701 174.990 -1.147 0.000 1.198 119 C CA -1.084 57.368 59.018 -0.944 0.000 1.319 119 C CB 1.393 28.771 27.740 -0.603 0.000 1.682 119 C HN 0.909 nan 8.230 nan 0.000 0.497 120 N N 2.332 120.508 118.700 -0.874 0.000 2.746 120 N HA 0.429 5.169 4.740 -0.001 0.000 0.250 120 N C -2.070 173.137 175.510 -0.505 0.000 1.146 120 N CA -1.727 51.002 53.050 -0.536 0.000 0.828 120 N CB 1.690 40.034 38.487 -0.238 0.000 1.158 120 N HN 0.485 nan 8.380 nan 0.000 0.519 121 P HA -0.050 nan 4.420 nan 0.000 0.216 121 P C 1.307 178.479 177.300 -0.212 0.000 1.153 121 P CA 1.245 64.178 63.100 -0.277 0.000 0.858 121 P CB 0.184 31.806 31.700 -0.130 0.000 0.789 122 G N -0.835 107.859 108.800 -0.177 0.000 2.442 122 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.219 122 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.219 122 G C 1.488 176.301 174.900 -0.145 0.000 1.141 122 G CA 0.914 45.932 45.100 -0.138 0.000 0.763 122 G HN 0.285 nan 8.290 nan 0.000 0.554 123 N N -0.771 117.834 118.700 -0.158 0.000 2.235 123 N HA 0.106 4.846 4.740 -0.001 0.000 0.209 123 N C 0.570 175.990 175.510 -0.150 0.000 1.122 123 N CA -0.325 52.645 53.050 -0.135 0.000 0.845 123 N CB 0.074 38.507 38.487 -0.091 0.000 1.004 123 N HN 0.002 nan 8.380 nan 0.000 0.499 124 R N 0.213 120.583 120.500 -0.218 0.000 3.525 124 R HA -0.180 4.159 4.340 -0.001 0.000 0.276 124 R C -1.183 175.129 176.300 0.021 0.000 1.116 124 R CA 0.638 56.617 56.100 -0.202 0.000 0.745 124 R CB -2.456 27.680 30.300 -0.273 0.000 1.185 124 R HN 0.494 nan 8.270 nan 0.000 0.454 125 E N 0.010 120.072 120.200 -0.230 0.000 2.134 125 E HA 0.333 4.683 4.350 -0.001 0.000 0.278 125 E C -0.572 175.757 176.600 -0.451 0.000 0.959 125 E CA -0.337 55.988 56.400 -0.126 0.000 0.783 125 E CB 0.608 30.267 29.700 -0.069 0.000 1.095 125 E HN 0.091 nan 8.360 nan 0.000 0.399 126 F N 4.132 124.194 119.950 0.186 0.000 2.622 126 F HA 0.221 4.748 4.527 -0.001 0.000 0.338 126 F C -1.581 174.288 175.800 0.116 0.000 1.334 126 F CA -1.730 56.352 58.000 0.137 0.000 1.179 126 F CB 1.322 40.454 39.000 0.219 0.000 1.471 126 F HN 0.387 nan 8.300 nan 0.000 0.576 127 P HA -0.229 nan 4.420 nan 0.000 0.220 127 P C 1.322 178.692 177.300 0.116 0.000 1.144 127 P CA 1.391 64.587 63.100 0.161 0.000 0.800 127 P CB 0.332 32.130 31.700 0.162 0.000 0.772 128 A N -0.642 122.240 122.820 0.103 0.000 2.167 128 A HA 0.041 4.361 4.320 -0.001 0.000 0.214 128 A C 2.248 179.826 177.584 -0.010 0.000 1.151 128 A CA 0.789 52.854 52.037 0.047 0.000 0.735 128 A CB -1.040 17.982 19.000 0.036 0.000 0.802 128 A HN 0.085 nan 8.150 nan 0.000 0.467 129 V N 0.641 120.528 119.914 -0.044 0.000 2.283 129 V HA 0.027 4.146 4.120 -0.001 0.000 0.239 129 V C -1.288 174.741 176.094 -0.110 0.000 1.035 129 V CA 1.249 63.434 62.300 -0.192 0.000 1.018 129 V CB -1.083 30.397 31.823 -0.572 0.000 0.658 129 V HN 0.506 nan 8.190 nan 0.000 0.459 130 P HA 0.413 nan 4.420 nan 0.000 0.293 130 P C -1.981 175.416 177.300 0.161 0.000 1.291 130 P CA -0.212 62.935 63.100 0.079 0.000 0.867 130 P CB 1.715 33.508 31.700 0.156 0.000 1.074 131 Y N -0.209 120.295 120.300 0.339 0.000 2.499 131 Y HA 0.494 5.044 4.550 -0.001 0.000 0.347 131 Y C 0.850 177.003 175.900 0.421 0.000 0.987 131 Y CA -0.514 57.810 58.100 0.374 0.000 1.044 131 Y CB 2.376 41.041 38.460 0.342 0.000 1.245 131 Y HN 0.504 nan 8.280 nan 0.000 0.461 132 S N -0.165 115.878 115.700 0.571 0.000 2.811 132 S HA 0.768 5.237 4.470 -0.001 0.000 0.311 132 S C 0.785 175.648 174.600 0.439 0.000 1.152 132 S CA -0.316 58.139 58.200 0.425 0.000 0.864 132 S CB 1.306 64.703 63.200 0.329 0.000 1.226 132 S HN 0.764 nan 8.310 nan 0.000 0.541 133 A N -0.154 122.763 122.820 0.161 0.000 1.986 133 A HA -0.045 4.274 4.320 -0.001 0.000 0.220 133 A C 1.580 179.200 177.584 0.060 0.000 1.171 133 A CA 1.576 53.634 52.037 0.034 0.000 0.640 133 A CB -1.368 17.451 19.000 -0.302 0.000 0.811 133 A HN 0.890 nan 8.150 nan 0.000 0.451 134 W N 0.324 121.726 121.300 0.170 0.000 2.468 134 W HA -0.053 4.607 4.660 -0.001 0.000 0.262 134 W C 0.699 177.255 176.519 0.061 0.000 1.241 134 W CA 0.582 57.982 57.345 0.091 0.000 1.232 134 W CB 0.009 29.485 29.460 0.027 0.000 1.124 134 W HN 0.297 nan 8.180 nan 0.000 0.597 135 D N -1.008 119.529 120.400 0.229 0.000 2.342 135 D HA 0.100 4.739 4.640 -0.001 0.000 0.221 135 D C -0.385 175.602 176.300 -0.521 0.000 1.101 135 D CA 0.440 54.375 54.000 -0.109 0.000 0.837 135 D CB -0.257 40.440 40.800 -0.171 0.000 0.938 135 D HN 0.038 nan 8.370 nan 0.000 0.508 136 F N -0.153 119.807 119.950 0.017 0.000 2.579 136 F HA 0.307 4.833 4.527 -0.001 0.000 0.324 136 F C 1.337 177.152 175.800 0.025 0.000 1.058 136 F CA -1.011 56.982 58.000 -0.011 0.000 0.944 136 F CB 1.058 40.047 39.000 -0.018 0.000 1.245 136 F HN -0.356 nan 8.300 nan 0.000 0.477 137 N N 0.786 119.616 118.700 0.217 0.000 2.421 137 N HA -0.072 4.667 4.740 -0.001 0.000 0.201 137 N C 0.541 176.127 175.510 0.127 0.000 1.198 137 N CA -0.051 53.091 53.050 0.154 0.000 0.838 137 N CB -0.005 38.568 38.487 0.144 0.000 1.011 137 N HN 0.555 nan 8.380 nan 0.000 0.463 138 D N 0.621 121.093 120.400 0.120 0.000 2.149 138 D HA -0.167 4.473 4.640 -0.001 0.000 0.194 138 D C 1.974 178.304 176.300 0.051 0.000 1.001 138 D CA 1.231 55.268 54.000 0.062 0.000 0.849 138 D CB -0.180 40.633 40.800 0.023 0.000 0.939 138 D HN 0.411 nan 8.370 nan 0.000 0.449 139 G N 0.497 109.333 108.800 0.061 0.000 2.464 139 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.217 139 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.217 139 G C 1.569 176.508 174.900 0.065 0.000 1.138 139 G CA 0.238 45.370 45.100 0.055 0.000 0.793 139 G HN 0.211 nan 8.290 nan 0.000 0.539 140 K N -0.251 120.201 120.400 0.086 0.000 2.148 140 K HA -0.038 4.281 4.320 -0.001 0.000 0.204 140 K C 0.935 177.598 176.600 0.104 0.000 1.050 140 K CA 0.218 56.566 56.287 0.101 0.000 0.942 140 K CB -0.291 32.288 32.500 0.131 0.000 0.724 140 K HN 0.278 nan 8.250 nan 0.000 0.446 141 c N 2.819 121.475 118.600 0.093 0.000 2.648 141 c HA 0.138 4.708 4.570 -0.001 0.000 0.415 141 c C 1.057 175.180 174.090 0.054 0.000 1.366 141 c CA -0.462 55.916 56.329 0.081 0.000 1.756 141 c CB 0.001 42.547 42.510 0.061 0.000 2.549 141 c HN 0.342 nan 8.230 nan 0.000 0.597 142 K N 3.489 123.919 120.400 0.051 0.000 2.374 142 K HA 0.088 4.407 4.320 -0.001 0.000 0.196 142 K C 1.080 177.690 176.600 0.016 0.000 1.023 142 K CA 0.234 56.537 56.287 0.026 0.000 1.103 142 K CB -0.334 32.174 32.500 0.014 0.000 0.848 142 K HN 0.915 nan 8.250 nan 0.000 0.528 143 T N -2.214 112.350 114.554 0.016 0.000 2.899 143 T HA 0.393 4.742 4.350 -0.001 0.000 0.295 143 T C 1.446 176.147 174.700 0.001 0.000 1.033 143 T CA -0.055 62.049 62.100 0.006 0.000 1.084 143 T CB 1.765 70.633 68.868 -0.000 0.000 0.979 143 T HN 0.038 nan 8.240 nan 0.000 0.532 144 A N 1.859 124.678 122.820 -0.002 0.000 1.969 144 A HA -0.004 4.315 4.320 -0.001 0.000 0.218 144 A C 2.562 180.141 177.584 -0.009 0.000 1.169 144 A CA 1.653 53.687 52.037 -0.005 0.000 0.635 144 A CB -1.169 17.828 19.000 -0.005 0.000 0.810 144 A HN 1.128 nan 8.150 nan 0.000 0.445 145 S N -2.308 113.386 115.700 -0.010 0.000 2.470 145 S HA 0.349 4.818 4.470 -0.001 0.000 0.225 145 S C 1.583 176.172 174.600 -0.018 0.000 1.006 145 S CA 1.203 59.394 58.200 -0.016 0.000 0.934 145 S CB -0.197 62.993 63.200 -0.017 0.000 0.778 145 S HN 1.883 nan 8.310 nan 0.000 0.517 146 G N 0.239 109.032 108.800 -0.013 0.000 2.176 146 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.253 146 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.253 146 G C 0.344 175.234 174.900 -0.017 0.000 0.979 146 G CA -0.029 45.064 45.100 -0.011 0.000 0.641 146 G HN 1.141 nan 8.290 nan 0.000 0.530 147 G N -0.889 107.896 108.800 -0.025 0.000 2.667 147 G HA2 0.670 4.629 3.960 -0.001 0.000 0.310 147 G HA3 0.670 4.629 3.960 -0.001 0.000 0.310 147 G C -0.079 174.794 174.900 -0.045 0.000 1.259 147 G CA -1.065 44.012 45.100 -0.039 0.000 1.019 147 G HN 0.600 nan 8.290 nan 0.000 0.496 148 I N 0.765 121.293 120.570 -0.071 0.000 2.436 148 I HA 0.105 4.275 4.170 -0.001 0.000 0.289 148 I C 0.779 176.856 176.117 -0.068 0.000 1.083 148 I CA 0.292 61.522 61.300 -0.118 0.000 1.372 148 I CB 1.056 38.919 38.000 -0.228 0.000 1.408 148 I HN 0.683 nan 8.210 nan 0.000 0.516 149 E N 2.962 123.131 120.200 -0.051 0.000 2.413 149 E HA 0.074 4.424 4.350 -0.001 0.000 0.203 149 E C 0.302 176.915 176.600 0.021 0.000 0.957 149 E CA 0.114 56.511 56.400 -0.004 0.000 0.950 149 E CB 0.735 30.434 29.700 -0.002 0.000 0.957 149 E HN 0.512 nan 8.360 nan 0.000 0.497 150 S N -0.663 115.029 115.700 -0.014 0.000 2.668 150 S HA 0.232 4.701 4.470 -0.001 0.000 0.277 150 S C -0.667 173.922 174.600 -0.018 0.000 1.170 150 S CA -0.624 57.598 58.200 0.036 0.000 0.994 150 S CB 0.428 63.649 63.200 0.034 0.000 1.051 150 S HN 0.149 nan 8.310 nan 0.000 0.484 151 Y N 3.422 123.727 120.300 0.009 0.000 2.578 151 Y HA 0.181 4.730 4.550 -0.001 0.000 0.297 151 Y C 2.349 178.245 175.900 -0.007 0.000 1.176 151 Y CA 0.532 58.628 58.100 -0.006 0.000 1.315 151 Y CB 0.154 38.606 38.460 -0.013 0.000 1.031 151 Y HN 0.709 nan 8.280 nan 0.000 0.524 152 N N 0.375 119.143 118.700 0.113 0.000 2.494 152 N HA -0.116 4.623 4.740 -0.001 0.000 0.182 152 N C -0.474 175.072 175.510 0.059 0.000 1.076 152 N CA 0.419 53.516 53.050 0.077 0.000 0.908 152 N CB 0.128 38.654 38.487 0.066 0.000 0.967 152 N HN 0.213 nan 8.380 nan 0.000 0.449 153 D N 0.235 120.661 120.400 0.042 0.000 2.460 153 D HA 0.274 4.913 4.640 -0.001 0.000 0.232 153 D C -1.956 174.360 176.300 0.027 0.000 1.079 153 D CA -2.347 51.695 54.000 0.071 0.000 0.864 153 D CB 1.737 42.584 40.800 0.079 0.000 1.048 153 D HN -0.037 nan 8.370 nan 0.000 0.523 154 P HA -0.144 nan 4.420 nan 0.000 0.219 154 P C 0.669 177.805 177.300 -0.274 0.000 1.146 154 P CA 1.042 64.037 63.100 -0.174 0.000 0.808 154 P CB 0.069 31.661 31.700 -0.180 0.000 0.779 155 Y N 0.535 120.852 120.300 0.028 0.000 2.133 155 Y HA -0.223 4.326 4.550 -0.001 0.000 0.287 155 Y C 2.758 178.683 175.900 0.042 0.000 1.134 155 Y CA 1.634 59.833 58.100 0.165 0.000 1.133 155 Y CB -1.220 37.373 38.460 0.221 0.000 0.987 155 Y HN 0.089 nan 8.280 nan 0.000 0.502 156 Q N -0.469 119.414 119.800 0.139 0.000 2.230 156 Q HA -0.096 4.243 4.340 -0.001 0.000 0.202 156 Q C 1.931 177.884 176.000 -0.078 0.000 0.963 156 Q CA 1.707 57.531 55.803 0.034 0.000 0.866 156 Q CB -0.765 27.977 28.738 0.006 0.000 0.931 156 Q HN 0.328 nan 8.270 nan 0.000 0.452 157 V N 1.050 120.855 119.914 -0.182 0.000 2.407 157 V HA -0.215 3.905 4.120 -0.001 0.000 0.248 157 V C 2.111 178.111 176.094 -0.156 0.000 1.055 157 V CA 2.080 64.220 62.300 -0.266 0.000 1.049 157 V CB -0.436 31.158 31.823 -0.383 0.000 0.662 157 V HN 0.267 nan 8.190 nan 0.000 0.455 158 R N -0.113 120.216 120.500 -0.284 0.000 2.140 158 R HA 0.040 4.379 4.340 -0.001 0.000 0.213 158 R C 1.672 177.942 176.300 -0.049 0.000 1.059 158 R CA 0.902 56.798 56.100 -0.340 0.000 1.000 158 R CB -0.230 29.412 30.300 -1.097 0.000 0.910 158 R HN 0.471 nan 8.270 nan 0.000 0.455 159 D N -1.265 119.176 120.400 0.068 0.000 2.367 159 D HA 0.096 4.735 4.640 -0.001 0.000 0.207 159 D C 0.096 176.458 176.300 0.105 0.000 1.034 159 D CA 0.276 54.374 54.000 0.163 0.000 0.861 159 D CB 0.266 41.224 40.800 0.264 0.000 0.943 159 D HN 0.085 nan 8.370 nan 0.000 0.515 160 c N 0.785 119.417 118.600 0.054 0.000 2.354 160 c HA 0.392 4.961 4.570 -0.001 0.000 0.381 160 c C 0.516 174.606 174.090 -0.001 0.000 1.240 160 c CA -0.928 55.416 56.329 0.025 0.000 2.089 160 c CB 1.219 43.729 42.510 -0.001 0.000 2.234 160 c HN 0.132 nan 8.230 nan 0.000 0.544 161 Q N 1.074 120.861 119.800 -0.021 0.000 2.297 161 Q HA 0.278 4.617 4.340 -0.001 0.000 0.267 161 Q C -0.587 175.344 176.000 -0.115 0.000 1.006 161 Q CA 0.186 55.955 55.803 -0.057 0.000 0.896 161 Q CB 0.564 29.270 28.738 -0.054 0.000 1.186 161 Q HN 0.538 nan 8.270 nan 0.000 0.392 162 L N 4.763 125.869 121.223 -0.194 0.000 2.278 162 L HA 0.090 4.430 4.340 -0.001 0.000 0.287 162 L C 0.354 177.076 176.870 -0.247 0.000 1.072 162 L CA -0.375 54.289 54.840 -0.293 0.000 0.819 162 L CB 0.617 42.349 42.059 -0.545 0.000 1.176 162 L HN 0.793 nan 8.230 nan 0.000 0.435 163 V N 2.564 122.374 119.914 -0.175 0.000 5.359 163 V HA -0.275 3.845 4.120 -0.001 0.000 0.278 163 V C 0.978 176.975 176.094 -0.163 0.000 0.622 163 V CA 0.990 63.192 62.300 -0.164 0.000 0.649 163 V CB -2.676 29.027 31.823 -0.200 0.000 0.408 163 V HN 1.456 nan 8.190 nan 0.000 0.918 164 G N -0.592 108.131 108.800 -0.130 0.000 2.162 164 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.260 164 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.260 164 G C 0.050 174.887 174.900 -0.105 0.000 0.976 164 G CA 0.281 45.318 45.100 -0.106 0.000 0.655 164 G HN 1.391 nan 8.290 nan 0.000 0.533 165 L N 0.755 121.890 121.223 -0.146 0.000 2.367 165 L HA 0.380 4.719 4.340 -0.001 0.000 0.275 165 L C 1.312 178.160 176.870 -0.037 0.000 1.129 165 L CA -0.767 53.994 54.840 -0.132 0.000 0.839 165 L CB 0.875 42.717 42.059 -0.362 0.000 1.133 165 L HN 0.067 nan 8.230 nan 0.000 0.453 166 L N 3.433 124.666 121.223 0.017 0.000 2.654 166 L HA -0.046 4.293 4.340 -0.001 0.000 0.271 166 L C 0.172 177.193 176.870 0.251 0.000 1.169 166 L CA 0.186 55.050 54.840 0.039 0.000 0.947 166 L CB -0.160 41.810 42.059 -0.149 0.000 1.232 166 L HN 0.553 nan 8.230 nan 0.000 0.486 167 D N 4.009 124.553 120.400 0.241 0.000 2.325 167 D HA 0.269 4.908 4.640 -0.001 0.000 0.251 167 D C -0.144 176.307 176.300 0.251 0.000 1.196 167 D CA -0.217 53.920 54.000 0.230 0.000 0.866 167 D CB 0.705 41.589 40.800 0.139 0.000 1.101 167 D HN 0.259 nan 8.370 nan 0.000 0.476 168 L N 2.555 123.813 121.223 0.060 0.000 2.456 168 L HA 0.233 4.572 4.340 -0.001 0.000 0.272 168 L C 0.728 177.522 176.870 -0.126 0.000 1.189 168 L CA -0.616 54.062 54.840 -0.269 0.000 0.846 168 L CB 0.780 42.621 42.059 -0.363 0.000 1.111 168 L HN 0.487 nan 8.230 nan 0.000 0.475 169 A N 4.800 127.510 122.820 -0.184 0.000 2.990 169 A HA 0.240 4.559 4.320 -0.001 0.000 0.282 169 A C 0.965 178.544 177.584 -0.009 0.000 1.688 169 A CA -0.290 51.730 52.037 -0.029 0.000 1.391 169 A CB -0.481 18.519 19.000 0.000 0.000 1.112 169 A HN 0.815 nan 8.150 nan 0.000 0.588 170 L N 0.833 122.075 121.223 0.031 0.000 2.633 170 L HA -0.147 4.192 4.340 -0.001 0.000 0.235 170 L C 2.501 179.409 176.870 0.064 0.000 1.163 170 L CA 1.506 56.375 54.840 0.048 0.000 0.859 170 L CB -0.137 41.969 42.059 0.078 0.000 0.973 170 L HN 0.886 nan 8.230 nan 0.000 0.451 171 E N -0.314 119.925 120.200 0.066 0.000 2.299 171 E HA -0.084 4.265 4.350 -0.001 0.000 0.193 171 E C 0.381 177.003 176.600 0.037 0.000 0.998 171 E CA 0.171 56.595 56.400 0.041 0.000 0.851 171 E CB 0.035 29.750 29.700 0.026 0.000 0.795 171 E HN 0.332 nan 8.360 nan 0.000 0.492 172 K N 1.451 121.883 120.400 0.053 0.000 2.322 172 K HA 0.009 4.328 4.320 -0.001 0.000 0.283 172 K C -0.024 176.624 176.600 0.080 0.000 1.042 172 K CA 0.153 56.485 56.287 0.075 0.000 0.958 172 K CB 1.139 33.705 32.500 0.110 0.000 0.984 172 K HN -0.015 nan 8.250 nan 0.000 0.473 173 D N 1.835 122.283 120.400 0.079 0.000 2.219 173 D HA -0.208 4.431 4.640 -0.001 0.000 0.205 173 D C 1.430 177.780 176.300 0.084 0.000 0.970 173 D CA 1.208 55.245 54.000 0.062 0.000 0.851 173 D CB 0.080 40.911 40.800 0.051 0.000 0.943 173 D HN 0.619 nan 8.370 nan 0.000 0.488 174 Y N 0.151 120.470 120.300 0.032 0.000 2.145 174 Y HA -0.170 4.379 4.550 -0.001 0.000 0.286 174 Y C 2.037 177.991 175.900 0.090 0.000 1.145 174 Y CA 1.421 59.554 58.100 0.056 0.000 1.148 174 Y CB -0.348 38.155 38.460 0.071 0.000 0.981 174 Y HN -0.091 nan 8.280 nan 0.000 0.507 175 V N 0.729 120.738 119.914 0.159 0.000 2.307 175 V HA -0.270 3.849 4.120 -0.001 0.000 0.245 175 V C 2.346 178.444 176.094 0.006 0.000 1.045 175 V CA 2.198 64.566 62.300 0.112 0.000 1.024 175 V CB -0.600 31.251 31.823 0.047 0.000 0.651 175 V HN 0.324 nan 8.190 nan 0.000 0.449 176 R N 0.135 120.630 120.500 -0.009 0.000 2.091 176 R HA -0.140 4.199 4.340 -0.001 0.000 0.238 176 R C 2.538 178.785 176.300 -0.087 0.000 1.136 176 R CA 1.792 57.868 56.100 -0.040 0.000 0.959 176 R CB -0.496 29.792 30.300 -0.020 0.000 0.856 176 R HN 0.453 nan 8.270 nan 0.000 0.437 177 S N 0.556 116.193 115.700 -0.105 0.000 2.387 177 S HA -0.119 4.351 4.470 -0.001 0.000 0.226 177 S C 1.771 176.251 174.600 -0.200 0.000 1.026 177 S CA 1.027 59.143 58.200 -0.140 0.000 0.972 177 S CB -0.106 63.016 63.200 -0.129 0.000 0.814 177 S HN 0.149 nan 8.310 nan 0.000 0.477 178 M N 1.665 121.109 119.600 -0.260 0.000 2.117 178 M HA 0.048 4.528 4.480 -0.001 0.000 0.262 178 M C 1.676 177.809 176.300 -0.278 0.000 1.065 178 M CA 1.442 56.577 55.300 -0.275 0.000 1.114 178 M CB -0.552 31.879 32.600 -0.281 0.000 1.361 178 M HN 0.255 nan 8.290 nan 0.000 0.408 179 I N -0.639 119.791 120.570 -0.233 0.000 2.202 179 I HA -0.243 3.926 4.170 -0.001 0.000 0.242 179 I C 2.329 178.268 176.117 -0.297 0.000 1.091 179 I CA 1.141 62.248 61.300 -0.320 0.000 1.368 179 I CB -0.705 37.187 38.000 -0.180 0.000 1.058 179 I HN 0.334 nan 8.210 nan 0.000 0.410 180 A N 0.430 123.108 122.820 -0.238 0.000 1.972 180 A HA -0.238 4.081 4.320 -0.001 0.000 0.219 180 A C 1.890 179.320 177.584 -0.258 0.000 1.169 180 A CA 2.042 53.933 52.037 -0.244 0.000 0.635 180 A CB -0.559 18.335 19.000 -0.176 0.000 0.810 180 A HN 0.344 nan 8.150 nan 0.000 0.446 181 D N -1.678 118.592 120.400 -0.216 0.000 2.117 181 D HA -0.153 4.487 4.640 -0.001 0.000 0.197 181 D C 1.660 177.864 176.300 -0.161 0.000 0.987 181 D CA 1.552 55.447 54.000 -0.175 0.000 0.829 181 D CB -0.475 40.247 40.800 -0.130 0.000 0.961 181 D HN 0.721 nan 8.370 nan 0.000 0.460 182 Y N 1.228 121.314 120.300 -0.357 0.000 2.145 182 Y HA -0.161 4.388 4.550 -0.001 0.000 0.286 182 Y C 2.123 177.847 175.900 -0.293 0.000 1.145 182 Y CA 1.243 59.127 58.100 -0.360 0.000 1.148 182 Y CB -0.198 37.845 38.460 -0.696 0.000 0.981 182 Y HN -0.110 nan 8.280 nan 0.000 0.507 183 L N 0.513 121.364 121.223 -0.619 0.000 2.093 183 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 183 L C 2.065 178.735 176.870 -0.333 0.000 1.085 183 L CA 1.169 55.587 54.840 -0.704 0.000 0.755 183 L CB -0.700 40.846 42.059 -0.855 0.000 0.904 183 L HN 0.323 nan 8.230 nan 0.000 0.435 184 N N 0.358 118.850 118.700 -0.347 0.000 2.244 184 N HA -0.182 4.557 4.740 -0.001 0.000 0.183 184 N C 1.762 177.136 175.510 -0.226 0.000 1.016 184 N CA 1.034 53.837 53.050 -0.412 0.000 0.866 184 N CB -0.110 37.919 38.487 -0.763 0.000 0.980 184 N HN 0.327 nan 8.380 nan 0.000 0.430 185 K N 0.416 120.718 120.400 -0.162 0.000 2.057 185 K HA -0.088 4.232 4.320 -0.001 0.000 0.207 185 K C 1.634 178.225 176.600 -0.015 0.000 1.049 185 K CA 0.785 57.041 56.287 -0.052 0.000 0.931 185 K CB -0.009 32.475 32.500 -0.027 0.000 0.714 185 K HN -0.064 nan 8.250 nan 0.000 0.440 186 L N 1.579 122.760 121.223 -0.070 0.000 2.017 186 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 186 L C 2.186 179.092 176.870 0.061 0.000 1.073 186 L CA 1.487 56.334 54.840 0.012 0.000 0.745 186 L CB -0.610 41.440 42.059 -0.016 0.000 0.894 186 L HN 0.252 nan 8.230 nan 0.000 0.432 187 I N -0.481 120.125 120.570 0.060 0.000 2.163 187 I HA -0.317 3.853 4.170 -0.001 0.000 0.243 187 I C 1.980 178.154 176.117 0.096 0.000 1.085 187 I CA 1.337 62.662 61.300 0.041 0.000 1.347 187 I CB -0.429 37.603 38.000 0.053 0.000 1.044 187 I HN 0.243 nan 8.210 nan 0.000 0.408 188 D N 0.851 121.325 120.400 0.122 0.000 2.178 188 D HA -0.122 4.517 4.640 -0.001 0.000 0.201 188 D C 2.185 178.593 176.300 0.181 0.000 0.980 188 D CA 1.181 55.281 54.000 0.166 0.000 0.842 188 D CB -0.183 40.718 40.800 0.168 0.000 0.948 188 D HN 0.363 nan 8.370 nan 0.000 0.472 189 I N -0.548 120.117 120.570 0.159 0.000 2.394 189 I HA -0.088 4.081 4.170 -0.001 0.000 0.251 189 I C 1.729 177.965 176.117 0.200 0.000 1.136 189 I CA 1.320 62.726 61.300 0.177 0.000 1.425 189 I CB 0.108 38.222 38.000 0.190 0.000 1.079 189 I HN 0.193 nan 8.210 nan 0.000 0.425 190 G N -0.284 108.616 108.800 0.168 0.000 2.559 190 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.202 190 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.202 190 G C 0.169 175.060 174.900 -0.016 0.000 0.992 190 G CA -0.419 44.773 45.100 0.153 0.000 0.764 190 G HN 0.022 nan 8.290 nan 0.000 0.525 191 V N 1.537 121.390 119.914 -0.102 0.000 2.673 191 V HA 0.397 4.516 4.120 -0.001 0.000 0.303 191 V C 1.745 177.615 176.094 -0.374 0.000 1.046 191 V CA 1.215 63.351 62.300 -0.273 0.000 1.126 191 V CB 1.397 33.048 31.823 -0.286 0.000 0.934 191 V HN 0.759 nan 8.190 nan 0.000 0.487 192 A N 3.407 125.927 122.820 -0.501 0.000 2.095 192 A HA 0.608 4.927 4.320 -0.001 0.000 0.212 192 A C 1.003 178.364 177.584 -0.372 0.000 1.162 192 A CA 0.960 52.679 52.037 -0.529 0.000 0.753 192 A CB -0.014 18.743 19.000 -0.405 0.000 0.840 192 A HN 1.267 nan 8.150 nan 0.000 0.468 193 G N -2.253 106.258 108.800 -0.482 0.000 2.428 193 G HA2 0.496 4.455 3.960 -0.001 0.000 0.304 193 G HA3 0.496 4.455 3.960 -0.001 0.000 0.304 193 G C -1.564 172.878 174.900 -0.763 0.000 1.303 193 G CA -0.708 44.196 45.100 -0.327 0.000 0.825 193 G HN 0.188 nan 8.290 nan 0.000 0.484 194 F N -0.484 119.419 119.950 -0.077 0.000 2.601 194 F HA 0.668 5.195 4.527 -0.001 0.000 0.309 194 F C 0.236 175.527 175.800 -0.848 0.000 1.089 194 F CA -0.904 56.916 58.000 -0.301 0.000 0.940 194 F CB 2.556 41.403 39.000 -0.255 0.000 1.273 194 F HN 0.446 nan 8.300 nan 0.000 0.450 195 R N 3.344 123.441 120.500 -0.673 0.000 2.198 195 R HA 0.445 4.785 4.340 -0.001 0.000 0.339 195 R C -1.196 174.888 176.300 -0.360 0.000 1.020 195 R CA -0.489 54.979 56.100 -1.053 0.000 0.864 195 R CB 0.365 30.332 30.300 -0.554 0.000 1.105 195 R HN 0.566 nan 8.270 nan 0.000 0.463 196 I N 4.431 124.819 120.570 -0.303 0.000 2.294 196 I HA 0.039 4.208 4.170 -0.001 0.000 0.295 196 I C 0.362 176.460 176.117 -0.033 0.000 1.098 196 I CA -0.396 60.831 61.300 -0.122 0.000 1.277 196 I CB 0.054 37.992 38.000 -0.103 0.000 1.434 196 I HN 0.657 nan 8.210 nan 0.000 0.498 197 D N 5.599 126.027 120.400 0.046 0.000 2.443 197 D HA 0.259 4.899 4.640 -0.001 0.000 0.239 197 D C 1.020 177.402 176.300 0.136 0.000 1.136 197 D CA 0.430 54.515 54.000 0.142 0.000 0.879 197 D CB 0.802 41.759 40.800 0.262 0.000 1.195 197 D HN 0.771 nan 8.370 nan 0.000 0.443 198 A N 2.784 125.705 122.820 0.167 0.000 2.665 198 A HA -0.258 4.062 4.320 -0.001 0.000 0.301 198 A C 1.843 179.514 177.584 0.145 0.000 1.509 198 A CA 1.232 53.403 52.037 0.224 0.000 0.789 198 A CB -2.024 17.166 19.000 0.316 0.000 1.024 198 A HN 0.470 nan 8.150 nan 0.000 0.460 199 S N -0.613 115.088 115.700 0.001 0.000 2.419 199 S HA -0.176 4.294 4.470 -0.001 0.000 0.235 199 S C 1.824 176.296 174.600 -0.214 0.000 1.019 199 S CA 1.523 59.654 58.200 -0.116 0.000 0.982 199 S CB -0.149 62.889 63.200 -0.269 0.000 0.789 199 S HN 0.856 nan 8.310 nan 0.000 0.490 200 K N 0.706 120.936 120.400 -0.283 0.000 2.209 200 K HA -0.134 4.186 4.320 -0.001 0.000 0.204 200 K C 1.019 177.389 176.600 -0.384 0.000 1.048 200 K CA 1.128 57.215 56.287 -0.334 0.000 0.940 200 K CB -0.116 32.154 32.500 -0.384 0.000 0.729 200 K HN 0.484 nan 8.250 nan 0.000 0.451 201 H N -0.563 118.480 119.070 -0.045 0.000 2.524 201 H HA 0.185 4.740 4.556 -0.001 0.000 0.280 201 H C 0.030 175.300 175.328 -0.098 0.000 1.018 201 H CA 0.329 56.331 56.048 -0.076 0.000 1.165 201 H CB 0.082 29.837 29.762 -0.012 0.000 1.411 201 H HN 0.172 nan 8.280 nan 0.000 0.569 202 M N -0.399 119.188 119.600 -0.021 0.000 2.572 202 M HA 0.197 4.677 4.480 -0.001 0.000 0.299 202 M C -1.102 175.173 176.300 -0.042 0.000 1.205 202 M CA -0.846 54.454 55.300 -0.000 0.000 0.876 202 M CB 2.545 35.209 32.600 0.108 0.000 1.728 202 M HN 0.003 nan 8.290 nan 0.000 0.458 203 W N 2.042 123.368 121.300 0.043 0.000 2.216 203 W HA 0.242 4.901 4.660 -0.001 0.000 0.326 203 W C -1.805 174.683 176.519 -0.050 0.000 1.319 203 W CA -0.927 56.394 57.345 -0.041 0.000 1.213 203 W CB -0.173 29.248 29.460 -0.066 0.000 1.171 203 W HN 0.475 nan 8.180 nan 0.000 0.557 204 P HA -0.207 nan 4.420 nan 0.000 0.216 204 P C 1.703 179.019 177.300 0.027 0.000 1.150 204 P CA 2.430 65.454 63.100 -0.126 0.000 0.843 204 P CB 0.113 31.573 31.700 -0.401 0.000 0.787 205 G N -0.627 108.209 108.800 0.060 0.000 2.422 205 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.218 205 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.218 205 G C 1.209 176.143 174.900 0.057 0.000 1.140 205 G CA 0.716 45.839 45.100 0.040 0.000 0.775 205 G HN 0.179 nan 8.290 nan 0.000 0.545 206 D N 0.642 121.111 120.400 0.114 0.000 2.117 206 D HA -0.038 4.602 4.640 -0.001 0.000 0.198 206 D C 2.562 178.904 176.300 0.070 0.000 0.982 206 D CA 0.351 54.410 54.000 0.099 0.000 0.828 206 D CB -0.146 40.753 40.800 0.164 0.000 0.967 206 D HN 0.348 nan 8.370 nan 0.000 0.464 207 I N 0.583 121.207 120.570 0.090 0.000 2.226 207 I HA -0.277 3.893 4.170 -0.001 0.000 0.245 207 I C 2.291 178.427 176.117 0.031 0.000 1.100 207 I CA 0.948 62.286 61.300 0.063 0.000 1.374 207 I CB -0.134 37.937 38.000 0.117 0.000 1.057 207 I HN -0.074 nan 8.210 nan 0.000 0.413 208 K N 1.688 122.111 120.400 0.039 0.000 2.063 208 K HA -0.155 4.164 4.320 -0.001 0.000 0.208 208 K C 2.045 178.648 176.600 0.005 0.000 1.048 208 K CA 1.820 58.120 56.287 0.021 0.000 0.928 208 K CB -0.437 32.077 32.500 0.025 0.000 0.713 208 K HN 0.290 nan 8.250 nan 0.000 0.442 209 A N -0.109 122.714 122.820 0.006 0.000 1.933 209 A HA -0.095 4.224 4.320 -0.001 0.000 0.218 209 A C 2.292 179.864 177.584 -0.020 0.000 1.175 209 A CA 1.797 53.832 52.037 -0.004 0.000 0.628 209 A CB -0.626 18.375 19.000 0.002 0.000 0.814 209 A HN 0.136 nan 8.150 nan 0.000 0.444 210 V N -0.413 119.483 119.914 -0.030 0.000 2.323 210 V HA -0.178 3.941 4.120 -0.001 0.000 0.244 210 V C 2.419 178.465 176.094 -0.080 0.000 1.041 210 V CA 1.617 63.877 62.300 -0.066 0.000 1.025 210 V CB -0.720 31.052 31.823 -0.084 0.000 0.656 210 V HN 0.458 nan 8.190 nan 0.000 0.451 211 L N 0.197 121.382 121.223 -0.063 0.000 2.131 211 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 211 L C 2.027 178.876 176.870 -0.036 0.000 1.092 211 L CA 1.721 56.526 54.840 -0.058 0.000 0.759 211 L CB -1.174 40.861 42.059 -0.040 0.000 0.903 211 L HN 0.340 nan 8.230 nan 0.000 0.435 212 D N -0.437 119.949 120.400 -0.024 0.000 2.310 212 D HA -0.130 4.509 4.640 -0.001 0.000 0.212 212 D C 1.864 178.160 176.300 -0.007 0.000 0.965 212 D CA 0.779 54.773 54.000 -0.010 0.000 0.879 212 D CB 0.061 40.858 40.800 -0.004 0.000 0.921 212 D HN 0.355 nan 8.370 nan 0.000 0.510 213 K N -0.185 120.202 120.400 -0.023 0.000 2.393 213 K HA 0.155 4.475 4.320 -0.001 0.000 0.193 213 K C 0.577 177.172 176.600 -0.009 0.000 1.026 213 K CA -0.063 56.214 56.287 -0.017 0.000 1.064 213 K CB 0.601 33.073 32.500 -0.047 0.000 0.833 213 K HN 0.089 nan 8.250 nan 0.000 0.521 214 L N 1.628 122.838 121.223 -0.022 0.000 2.397 214 L HA 0.125 4.464 4.340 -0.001 0.000 0.271 214 L C 0.613 177.548 176.870 0.107 0.000 1.148 214 L CA -0.313 54.517 54.840 -0.018 0.000 0.825 214 L CB 0.260 42.304 42.059 -0.026 0.000 1.117 214 L HN 0.203 nan 8.230 nan 0.000 0.456 215 H N 1.232 120.293 119.070 -0.014 0.000 2.671 215 H HA 0.115 4.670 4.556 -0.001 0.000 0.372 215 H C -0.158 175.160 175.328 -0.016 0.000 1.227 215 H CA -0.960 55.082 56.048 -0.010 0.000 1.426 215 H CB 0.740 30.500 29.762 -0.003 0.000 1.480 215 H HN 0.532 nan 8.280 nan 0.000 0.611 216 N N 0.676 119.436 118.700 0.100 0.000 2.424 216 N HA 0.092 4.832 4.740 -0.001 0.000 0.257 216 N C -0.101 175.419 175.510 0.017 0.000 1.250 216 N CA -0.363 52.703 53.050 0.028 0.000 0.946 216 N CB 0.591 39.084 38.487 0.010 0.000 1.175 216 N HN 0.317 nan 8.380 nan 0.000 0.477 217 L N 0.965 122.145 121.223 -0.072 0.000 2.473 217 L HA 0.066 4.406 4.340 -0.001 0.000 0.268 217 L C 1.180 178.107 176.870 0.095 0.000 1.215 217 L CA -0.316 54.437 54.840 -0.145 0.000 0.823 217 L CB 0.100 41.762 42.059 -0.662 0.000 1.099 217 L HN 0.472 nan 8.230 nan 0.000 0.483 218 N N 1.157 120.010 118.700 0.255 0.000 2.434 218 N HA -0.063 4.676 4.740 -0.001 0.000 0.268 218 N C 1.022 176.731 175.510 0.332 0.000 1.256 218 N CA 0.252 53.488 53.050 0.309 0.000 0.914 218 N CB 1.084 39.829 38.487 0.430 0.000 1.088 218 N HN 0.692 nan 8.380 nan 0.000 0.478 219 T N 0.706 115.337 114.554 0.128 0.000 3.155 219 T HA -0.039 4.310 4.350 -0.001 0.000 0.264 219 T C 1.165 175.814 174.700 -0.086 0.000 1.160 219 T CA 0.520 62.656 62.100 0.059 0.000 1.075 219 T CB -0.021 68.854 68.868 0.011 0.000 0.921 219 T HN 0.357 nan 8.240 nan 0.000 0.533 220 N N 0.363 118.908 118.700 -0.259 0.000 2.309 220 N HA -0.006 4.733 4.740 -0.001 0.000 0.182 220 N C 0.849 175.916 175.510 -0.737 0.000 1.018 220 N CA 0.969 53.625 53.050 -0.656 0.000 0.876 220 N CB -0.125 37.614 38.487 -1.247 0.000 0.972 220 N HN 0.672 nan 8.380 nan 0.000 0.434 221 W N -1.271 119.942 121.300 -0.146 0.000 2.661 221 W HA 0.306 4.967 4.660 0.000 0.000 0.288 221 W C -0.363 175.792 176.519 -0.607 0.000 1.014 221 W CA -0.254 56.834 57.345 -0.429 0.000 1.396 221 W CB 0.115 29.166 29.460 -0.683 0.000 0.963 221 W HN -0.179 nan 8.180 nan 0.000 0.584 222 F N 0.768 120.814 119.950 0.160 0.000 2.561 222 F HA 0.518 5.045 4.527 -0.001 0.000 0.321 222 F C -2.101 173.722 175.800 0.038 0.000 1.065 222 F CA -2.663 55.390 58.000 0.088 0.000 0.934 222 F CB 0.311 39.359 39.000 0.081 0.000 1.215 222 F HN -0.481 nan 8.300 nan 0.000 0.471 223 P HA 0.191 nan 4.420 nan 0.000 0.269 223 P C -0.852 176.510 177.300 0.105 0.000 1.215 223 P CA -0.294 62.873 63.100 0.113 0.000 0.780 223 P CB 0.503 32.255 31.700 0.088 0.000 0.898 224 A N 2.091 124.947 122.820 0.060 0.000 2.483 224 A HA 0.420 4.740 4.320 -0.001 0.000 0.238 224 A C 1.445 179.050 177.584 0.036 0.000 1.070 224 A CA 0.668 52.730 52.037 0.042 0.000 0.770 224 A CB -1.333 17.679 19.000 0.020 0.000 1.008 224 A HN 0.888 nan 8.150 nan 0.000 0.497 225 G N 1.032 109.847 108.800 0.025 0.000 2.148 225 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.254 225 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.254 225 G C 0.345 175.254 174.900 0.016 0.000 0.981 225 G CA 0.390 45.500 45.100 0.017 0.000 0.670 225 G HN 1.197 nan 8.290 nan 0.000 0.528 226 S N 0.544 116.254 115.700 0.016 0.000 2.499 226 S HA 0.537 5.006 4.470 -0.001 0.000 0.275 226 S C 0.711 175.280 174.600 -0.051 0.000 1.257 226 S CA -0.437 57.757 58.200 -0.011 0.000 1.050 226 S CB 0.995 64.192 63.200 -0.005 0.000 0.937 226 S HN 0.497 nan 8.310 nan 0.000 0.490 227 R N 3.452 123.928 120.500 -0.039 0.000 2.404 227 R HA 0.358 4.698 4.340 -0.001 0.000 0.291 227 R C -2.478 173.790 176.300 -0.052 0.000 1.025 227 R CA -2.064 54.015 56.100 -0.035 0.000 0.991 227 R CB 0.358 30.648 30.300 -0.016 0.000 1.053 227 R HN 0.388 nan 8.270 nan 0.000 0.479 228 P HA -0.122 nan 4.420 nan 0.000 0.268 228 P C -0.622 176.729 177.300 0.086 0.000 1.204 228 P CA 0.250 63.328 63.100 -0.037 0.000 0.768 228 P CB 0.418 32.124 31.700 0.010 0.000 0.842 229 F N 4.355 124.278 119.950 -0.045 0.000 2.538 229 F HA 0.187 4.714 4.527 -0.001 0.000 0.371 229 F C 0.005 175.844 175.800 0.066 0.000 1.087 229 F CA -0.375 57.631 58.000 0.009 0.000 1.250 229 F CB 0.338 39.382 39.000 0.073 0.000 1.110 229 F HN 0.121 nan 8.300 nan 0.000 0.570 230 I N 8.626 129.059 120.570 -0.227 0.000 2.439 230 I HA 0.225 4.395 4.170 -0.001 0.000 0.285 230 I C -0.949 174.928 176.117 -0.401 0.000 1.021 230 I CA -0.642 60.478 61.300 -0.300 0.000 1.091 230 I CB 1.154 39.077 38.000 -0.127 0.000 1.242 230 I HN 0.515 nan 8.210 nan 0.000 0.439 231 F N 3.706 123.324 119.950 -0.553 0.000 2.496 231 F HA 0.648 5.175 4.527 -0.001 0.000 0.341 231 F C -0.201 175.503 175.800 -0.161 0.000 1.134 231 F CA -0.919 56.851 58.000 -0.384 0.000 0.968 231 F CB 0.884 39.596 39.000 -0.480 0.000 1.205 231 F HN 0.350 nan 8.300 nan 0.000 0.436 232 Q N 3.118 122.926 119.800 0.014 0.000 2.279 232 Q HA 0.193 4.532 4.340 -0.001 0.000 0.256 232 Q C -0.439 175.578 176.000 0.028 0.000 0.937 232 Q CA -0.519 55.267 55.803 -0.029 0.000 0.933 232 Q CB 1.370 30.087 28.738 -0.035 0.000 1.189 232 Q HN 0.523 nan 8.270 nan 0.000 0.417 233 E N 2.762 122.977 120.200 0.026 0.000 1.932 233 E HA 0.122 4.471 4.350 -0.001 0.000 0.275 233 E C -1.029 175.607 176.600 0.060 0.000 1.159 233 E CA -0.046 56.439 56.400 0.143 0.000 0.905 233 E CB 0.570 30.366 29.700 0.160 0.000 1.059 233 E HN 0.257 nan 8.360 nan 0.000 0.400 234 V N 5.431 125.401 119.914 0.092 0.000 2.407 234 V HA 0.319 4.438 4.120 -0.001 0.000 0.291 234 V C 0.302 176.454 176.094 0.096 0.000 1.018 234 V CA -0.660 61.600 62.300 -0.067 0.000 0.842 234 V CB 1.482 33.146 31.823 -0.265 0.000 0.996 234 V HN 0.502 nan 8.190 nan 0.000 0.426 235 I N 4.401 124.906 120.570 -0.108 0.000 2.308 235 I HA 0.318 4.488 4.170 -0.001 0.000 0.293 235 I C -0.389 175.660 176.117 -0.112 0.000 1.078 235 I CA 0.360 61.481 61.300 -0.298 0.000 1.292 235 I CB 0.621 38.272 38.000 -0.583 0.000 1.423 235 I HN 0.599 nan 8.210 nan 0.000 0.493 236 D N 7.220 127.632 120.400 0.022 0.000 2.358 236 D HA 0.254 4.894 4.640 -0.001 0.000 0.253 236 D C 0.128 176.464 176.300 0.059 0.000 1.288 236 D CA -0.373 53.643 54.000 0.027 0.000 0.950 236 D CB 1.046 41.876 40.800 0.051 0.000 1.197 236 D HN 0.375 nan 8.370 nan 0.000 0.550 237 L N 2.630 123.870 121.223 0.029 0.000 2.627 237 L HA 0.433 4.773 4.340 -0.001 0.000 0.232 237 L C 1.222 178.126 176.870 0.057 0.000 1.150 237 L CA 0.246 55.118 54.840 0.053 0.000 0.917 237 L CB -0.691 41.391 42.059 0.038 0.000 1.104 237 L HN 0.655 nan 8.230 nan 0.000 0.445 238 G N -0.686 108.143 108.800 0.047 0.000 2.746 238 G HA2 0.072 4.032 3.960 -0.001 0.000 0.685 238 G HA3 0.072 4.032 3.960 -0.001 0.000 0.685 238 G C 0.516 175.433 174.900 0.028 0.000 1.350 238 G CA -0.437 44.690 45.100 0.046 0.000 0.837 238 G HN 0.525 nan 8.290 nan 0.000 0.564 239 G N -0.686 108.128 108.800 0.025 0.000 2.198 239 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.260 239 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.260 239 G C 0.181 175.091 174.900 0.017 0.000 1.025 239 G CA 1.809 46.919 45.100 0.018 0.000 0.769 239 G HN 1.242 nan 8.290 nan 0.000 0.507 240 E N -1.776 118.436 120.200 0.019 0.000 2.416 240 E HA 0.676 5.026 4.350 -0.001 0.000 0.273 240 E C 1.289 177.906 176.600 0.027 0.000 0.935 240 E CA -0.554 55.861 56.400 0.025 0.000 0.784 240 E CB 1.272 30.983 29.700 0.019 0.000 1.301 240 E HN 0.402 nan 8.360 nan 0.000 0.454 241 A N 1.449 124.291 122.820 0.037 0.000 1.892 241 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 241 A C 1.000 178.590 177.584 0.010 0.000 1.188 241 A CA 1.193 53.247 52.037 0.028 0.000 0.631 241 A CB -0.496 18.525 19.000 0.035 0.000 0.822 241 A HN 0.502 nan 8.150 nan 0.000 0.447 242 I N 0.326 120.902 120.570 0.009 0.000 2.395 242 I HA 0.186 4.355 4.170 -0.001 0.000 0.289 242 I C -0.149 175.982 176.117 0.022 0.000 1.023 242 I CA -0.134 61.167 61.300 0.002 0.000 1.350 242 I CB 1.225 39.218 38.000 -0.011 0.000 1.409 242 I HN 0.189 nan 8.210 nan 0.000 0.507 243 K N 3.842 124.254 120.400 0.020 0.000 2.203 243 K HA 0.377 4.697 4.320 -0.001 0.000 0.251 243 K C 0.631 177.252 176.600 0.035 0.000 0.944 243 K CA -0.652 55.641 56.287 0.010 0.000 0.829 243 K CB 1.974 34.456 32.500 -0.031 0.000 1.125 243 K HN 0.450 nan 8.250 nan 0.000 0.430 244 S N 0.562 116.275 115.700 0.022 0.000 2.400 244 S HA -0.168 4.301 4.470 -0.001 0.000 0.232 244 S C 1.860 176.282 174.600 -0.296 0.000 1.025 244 S CA 1.859 60.081 58.200 0.036 0.000 0.993 244 S CB -0.202 63.069 63.200 0.120 0.000 0.808 244 S HN 0.798 nan 8.310 nan 0.000 0.478 245 S N 1.816 117.120 115.700 -0.659 0.000 2.440 245 S HA -0.141 4.328 4.470 -0.001 0.000 0.238 245 S C 1.412 175.550 174.600 -0.771 0.000 1.010 245 S CA 0.957 58.289 58.200 -1.445 0.000 0.972 245 S CB -0.507 62.285 63.200 -0.681 0.000 0.774 245 S HN 0.590 nan 8.310 nan 0.000 0.501 246 E N 0.057 120.041 120.200 -0.360 0.000 2.333 246 E HA -0.095 4.254 4.350 -0.001 0.000 0.198 246 E C 0.687 177.044 176.600 -0.404 0.000 1.007 246 E CA 1.074 57.273 56.400 -0.335 0.000 0.845 246 E CB -0.226 29.242 29.700 -0.387 0.000 0.766 246 E HN 0.826 nan 8.360 nan 0.000 0.507 247 Y N -1.720 118.500 120.300 -0.133 0.000 2.458 247 Y HA 0.092 4.641 4.550 -0.001 0.000 0.256 247 Y C 1.202 177.236 175.900 0.222 0.000 1.159 247 Y CA -0.484 57.638 58.100 0.036 0.000 1.261 247 Y CB 0.350 38.842 38.460 0.053 0.000 1.119 247 Y HN -0.006 nan 8.280 nan 0.000 0.524 248 F N 0.014 120.096 119.950 0.220 0.000 2.250 248 F HA -0.092 4.434 4.527 -0.001 0.000 0.301 248 F C 2.264 178.232 175.800 0.280 0.000 1.077 248 F CA 1.018 59.156 58.000 0.230 0.000 1.348 248 F CB -1.202 37.886 39.000 0.147 0.000 1.040 248 F HN 0.106 nan 8.300 nan 0.000 0.509 249 G N -0.747 108.276 108.800 0.370 0.000 2.650 249 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.214 249 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.214 249 G C 1.529 176.554 174.900 0.208 0.000 1.136 249 G CA 0.359 45.627 45.100 0.281 0.000 0.789 249 G HN 0.251 nan 8.290 nan 0.000 0.536 250 N N 0.328 119.141 118.700 0.190 0.000 2.409 250 N HA 0.239 4.979 4.740 -0.001 0.000 0.174 250 N C 1.151 176.633 175.510 -0.048 0.000 1.037 250 N CA 1.012 54.109 53.050 0.078 0.000 0.898 250 N CB 1.031 39.591 38.487 0.122 0.000 1.010 250 N HN 0.438 nan 8.380 nan 0.000 0.445 251 G N -0.332 108.474 108.800 0.009 0.000 2.356 251 G HA2 0.085 4.044 3.960 -0.001 0.000 0.266 251 G HA3 0.085 4.044 3.960 -0.001 0.000 0.266 251 G C -1.272 173.782 174.900 0.258 0.000 1.312 251 G CA -0.909 44.078 45.100 -0.187 0.000 0.922 251 G HN -0.033 nan 8.290 nan 0.000 0.480 252 R N -1.117 119.522 120.500 0.231 0.000 2.726 252 R HA 0.612 4.951 4.340 -0.001 0.000 0.272 252 R C -0.555 175.889 176.300 0.239 0.000 1.097 252 R CA -0.260 56.006 56.100 0.276 0.000 1.198 252 R CB 1.056 31.507 30.300 0.252 0.000 1.114 252 R HN 0.361 nan 8.270 nan 0.000 0.550 253 V N 0.217 120.282 119.914 0.251 0.000 2.925 253 V HA 0.173 4.292 4.120 -0.001 0.000 0.311 253 V C -0.087 176.130 176.094 0.205 0.000 1.104 253 V CA -1.054 61.393 62.300 0.245 0.000 0.954 253 V CB 2.171 34.201 31.823 0.345 0.000 1.022 253 V HN 0.962 nan 8.190 nan 0.000 0.427 254 T N 0.098 114.778 114.554 0.210 0.000 2.853 254 T HA 0.295 4.644 4.350 -0.001 0.000 0.298 254 T C -0.116 174.656 174.700 0.120 0.000 0.978 254 T CA -0.234 61.982 62.100 0.192 0.000 1.152 254 T CB 0.845 69.835 68.868 0.204 0.000 0.914 254 T HN 0.682 nan 8.240 nan 0.000 0.539 255 E N 2.537 122.701 120.200 -0.059 0.000 1.998 255 E HA 0.302 4.652 4.350 -0.001 0.000 0.257 255 E C -0.309 176.070 176.600 -0.369 0.000 1.038 255 E CA -1.019 55.294 56.400 -0.144 0.000 0.869 255 E CB -0.624 28.978 29.700 -0.163 0.000 1.135 255 E HN 0.674 nan 8.360 nan 0.000 0.430 256 F N 2.385 122.254 119.950 -0.134 0.000 2.451 256 F HA -0.013 4.514 4.527 -0.001 0.000 0.299 256 F C 1.723 177.404 175.800 -0.198 0.000 1.101 256 F CA 0.787 58.701 58.000 -0.143 0.000 1.436 256 F CB 0.151 39.167 39.000 0.027 0.000 1.074 256 F HN 0.381 nan 8.300 nan 0.000 0.553 257 K N -0.943 119.382 120.400 -0.123 0.000 2.211 257 K HA -0.223 4.096 4.320 -0.001 0.000 0.203 257 K C 1.775 178.138 176.600 -0.396 0.000 1.050 257 K CA 1.222 57.391 56.287 -0.197 0.000 0.945 257 K CB -0.436 31.919 32.500 -0.242 0.000 0.732 257 K HN 0.248 nan 8.250 nan 0.000 0.451 258 Y N 1.367 121.169 120.300 -0.830 0.000 2.030 258 Y HA -0.267 4.283 4.550 -0.001 0.000 0.274 258 Y C 2.441 178.235 175.900 -0.176 0.000 1.153 258 Y CA 2.120 59.813 58.100 -0.679 0.000 1.115 258 Y CB -0.760 37.300 38.460 -0.667 0.000 0.969 258 Y HN 0.059 nan 8.280 nan 0.000 0.488 259 G N -0.955 107.828 108.800 -0.027 0.000 2.422 259 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.218 259 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.218 259 G C 1.745 176.663 174.900 0.030 0.000 1.140 259 G CA 0.799 45.913 45.100 0.023 0.000 0.775 259 G HN 0.631 nan 8.290 nan 0.000 0.545 260 A N 1.008 123.857 122.820 0.048 0.000 1.858 260 A HA 0.017 4.337 4.320 -0.001 0.000 0.216 260 A C 2.392 180.032 177.584 0.093 0.000 1.190 260 A CA 1.802 53.892 52.037 0.088 0.000 0.617 260 A CB -0.278 18.790 19.000 0.114 0.000 0.827 260 A HN 0.192 nan 8.150 nan 0.000 0.443 261 K N -0.718 119.766 120.400 0.140 0.000 2.057 261 K HA -0.064 4.255 4.320 -0.001 0.000 0.206 261 K C 1.916 178.525 176.600 0.015 0.000 1.050 261 K CA 1.112 57.534 56.287 0.225 0.000 0.935 261 K CB -0.806 31.985 32.500 0.486 0.000 0.715 261 K HN 0.415 nan 8.250 nan 0.000 0.439 262 L N 0.929 122.095 121.223 -0.095 0.000 2.046 262 L HA -0.044 4.296 4.340 -0.001 0.000 0.208 262 L C 2.133 178.801 176.870 -0.336 0.000 1.077 262 L CA 2.062 56.637 54.840 -0.440 0.000 0.747 262 L CB -1.068 40.699 42.059 -0.486 0.000 0.896 262 L HN 0.222 nan 8.230 nan 0.000 0.432 263 G N -2.004 106.684 108.800 -0.187 0.000 2.418 263 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.217 263 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.217 263 G C 1.436 176.163 174.900 -0.287 0.000 1.158 263 G CA 1.171 46.148 45.100 -0.205 0.000 0.771 263 G HN 0.424 nan 8.290 nan 0.000 0.545 264 T N 0.839 115.297 114.554 -0.161 0.000 2.746 264 T HA -0.111 4.238 4.350 -0.001 0.000 0.267 264 T C 2.527 177.148 174.700 -0.131 0.000 1.039 264 T CA 1.234 63.281 62.100 -0.090 0.000 1.142 264 T CB -0.259 68.680 68.868 0.120 0.000 0.866 264 T HN 0.062 nan 8.240 nan 0.000 0.444 265 V N 1.174 120.991 119.914 -0.161 0.000 2.261 265 V HA -0.134 3.986 4.120 -0.001 0.000 0.246 265 V C 2.677 178.585 176.094 -0.311 0.000 1.047 265 V CA 1.357 63.529 62.300 -0.214 0.000 1.015 265 V CB -0.640 30.971 31.823 -0.354 0.000 0.642 265 V HN 0.310 nan 8.190 nan 0.000 0.446 266 V N -0.133 119.547 119.914 -0.390 0.000 2.490 266 V HA -0.208 3.912 4.120 -0.001 0.000 0.250 266 V C 2.409 178.306 176.094 -0.328 0.000 1.061 266 V CA 1.803 63.877 62.300 -0.376 0.000 1.064 266 V CB -0.829 30.765 31.823 -0.382 0.000 0.670 266 V HN 0.475 nan 8.190 nan 0.000 0.461 267 R N -0.256 119.991 120.500 -0.421 0.000 2.275 267 R HA 0.073 4.412 4.340 -0.001 0.000 0.199 267 R C 0.633 176.735 176.300 -0.330 0.000 0.989 267 R CA 0.051 55.822 56.100 -0.548 0.000 1.016 267 R CB -0.057 29.490 30.300 -1.256 0.000 0.918 267 R HN 0.397 nan 8.270 nan 0.000 0.473 268 K N -0.424 119.858 120.400 -0.197 0.000 3.162 268 K HA -0.160 4.160 4.320 -0.001 0.000 0.268 268 K C -1.086 175.642 176.600 0.214 0.000 1.062 268 K CA 0.327 56.601 56.287 -0.023 0.000 0.769 268 K CB -0.886 31.595 32.500 -0.031 0.000 1.274 268 K HN 0.132 nan 8.250 nan 0.000 0.478 269 W N 0.096 121.382 121.300 -0.024 0.000 2.436 269 W HA 0.312 4.971 4.660 -0.001 0.000 0.347 269 W C 1.209 177.739 176.519 0.018 0.000 1.136 269 W CA -0.914 56.429 57.345 -0.003 0.000 1.286 269 W CB 1.006 30.466 29.460 0.000 0.000 1.253 269 W HN 0.199 nan 8.180 nan 0.000 0.617 270 S N 0.590 116.420 115.700 0.217 0.000 3.473 270 S HA -0.131 4.338 4.470 -0.001 0.000 0.339 270 S C 1.016 175.694 174.600 0.129 0.000 1.148 270 S CA 1.728 60.008 58.200 0.133 0.000 0.969 270 S CB -1.589 61.698 63.200 0.145 0.000 0.936 270 S HN 1.653 nan 8.310 nan 0.000 0.530 271 G N -0.341 108.534 108.800 0.126 0.000 2.162 271 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.260 271 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.260 271 G C -0.241 174.746 174.900 0.145 0.000 0.976 271 G CA 0.426 45.597 45.100 0.118 0.000 0.655 271 G HN 0.617 nan 8.290 nan 0.000 0.533 272 E N 0.544 120.832 120.200 0.146 0.000 2.383 272 E HA 0.490 4.840 4.350 -0.001 0.000 0.264 272 E C 0.530 177.051 176.600 -0.131 0.000 1.050 272 E CA 0.336 56.815 56.400 0.132 0.000 0.896 272 E CB 0.874 30.683 29.700 0.182 0.000 0.982 272 E HN 0.550 nan 8.360 nan 0.000 0.424 273 K N 1.752 121.884 120.400 -0.447 0.000 2.477 273 K HA 0.350 4.670 4.320 -0.001 0.000 0.255 273 K C 1.036 177.378 176.600 -0.430 0.000 0.952 273 K CA -0.667 55.300 56.287 -0.533 0.000 0.826 273 K CB 1.767 33.796 32.500 -0.784 0.000 1.331 273 K HN 0.255 nan 8.250 nan 0.000 0.437 274 M N 0.893 120.292 119.600 -0.336 0.000 2.279 274 M HA -0.162 4.317 4.480 -0.001 0.000 0.264 274 M C 1.805 178.055 176.300 -0.083 0.000 1.062 274 M CA 1.740 56.858 55.300 -0.302 0.000 1.099 274 M CB -0.177 32.224 32.600 -0.332 0.000 1.394 274 M HN 0.774 nan 8.290 nan 0.000 0.426 275 S N -0.558 115.101 115.700 -0.068 0.000 2.442 275 S HA -0.169 4.301 4.470 -0.001 0.000 0.236 275 S C 1.574 176.368 174.600 0.324 0.000 1.007 275 S CA 0.903 59.213 58.200 0.183 0.000 0.965 275 S CB -1.017 62.218 63.200 0.057 0.000 0.773 275 S HN 0.606 nan 8.310 nan 0.000 0.504 276 Y N 1.292 121.669 120.300 0.127 0.000 2.571 276 Y HA 0.175 4.725 4.550 -0.001 0.000 0.294 276 Y C 1.751 177.816 175.900 0.275 0.000 1.141 276 Y CA -0.013 58.191 58.100 0.173 0.000 1.308 276 Y CB -0.320 38.279 38.460 0.232 0.000 1.002 276 Y HN 0.271 nan 8.280 nan 0.000 0.551 277 L N 0.476 121.816 121.223 0.195 0.000 2.610 277 L HA -0.113 4.227 4.340 -0.001 0.000 0.232 277 L C 2.276 178.966 176.870 -0.300 0.000 1.149 277 L CA 0.537 55.302 54.840 -0.126 0.000 0.872 277 L CB -0.339 41.398 42.059 -0.538 0.000 0.992 277 L HN 0.185 nan 8.230 nan 0.000 0.447 278 K N 2.120 122.159 120.400 -0.602 0.000 2.074 278 K HA -0.218 4.102 4.320 -0.001 0.000 0.209 278 K C 1.234 177.493 176.600 -0.569 0.000 1.048 278 K CA 2.040 57.558 56.287 -1.281 0.000 0.926 278 K CB -0.062 31.794 32.500 -1.073 0.000 0.713 278 K HN 0.623 nan 8.250 nan 0.000 0.444 279 N N -0.733 117.839 118.700 -0.213 0.000 2.320 279 N HA -0.032 4.707 4.740 -0.001 0.000 0.237 279 N C -0.275 175.226 175.510 -0.016 0.000 1.129 279 N CA -0.727 52.253 53.050 -0.116 0.000 0.854 279 N CB -0.058 38.383 38.487 -0.075 0.000 1.083 279 N HN 0.201 nan 8.380 nan 0.000 0.504 280 W N 1.739 122.785 121.300 -0.423 0.000 2.293 280 W HA 0.159 4.819 4.660 -0.001 0.000 0.342 280 W C 0.639 176.754 176.519 -0.673 0.000 1.274 280 W CA 1.949 58.827 57.345 -0.778 0.000 1.290 280 W CB 0.523 29.436 29.460 -0.911 0.000 1.176 280 W HN 0.516 nan 8.180 nan 0.000 0.570 281 G N 3.495 111.469 108.800 -1.376 0.000 2.456 281 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.204 281 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.204 281 G C 0.496 174.868 174.900 -0.879 0.000 1.193 281 G CA 0.079 44.422 45.100 -1.261 0.000 1.220 281 G HN 0.538 nan 8.290 nan 0.000 0.565 282 E N 0.856 120.860 120.200 -0.327 0.000 2.265 282 E HA -0.018 4.332 4.350 -0.001 0.000 0.196 282 E C 2.491 178.962 176.600 -0.215 0.000 0.996 282 E CA 0.958 57.266 56.400 -0.154 0.000 0.832 282 E CB -0.374 29.324 29.700 -0.004 0.000 0.756 282 E HN 0.641 nan 8.360 nan 0.000 0.491 283 G N 0.181 108.842 108.800 -0.231 0.000 2.448 283 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.219 283 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.219 283 G C 0.644 175.393 174.900 -0.252 0.000 1.127 283 G CA 0.151 45.142 45.100 -0.181 0.000 0.766 283 G HN 0.263 nan 8.290 nan 0.000 0.552 284 W N 0.182 121.057 121.300 -0.707 0.000 3.388 284 W HA 0.442 5.101 4.660 -0.001 0.000 0.324 284 W C 1.633 177.772 176.519 -0.634 0.000 1.250 284 W CA -0.177 56.689 57.345 -0.797 0.000 1.809 284 W CB 0.058 28.719 29.460 -1.331 0.000 1.083 284 W HN 0.305 nan 8.180 nan 0.000 0.685 285 G N -0.501 108.144 108.800 -0.259 0.000 2.143 285 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.249 285 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.249 285 G C 0.264 175.271 174.900 0.178 0.000 0.981 285 G CA -0.522 44.556 45.100 -0.037 0.000 0.665 285 G HN 0.255 nan 8.290 nan 0.000 0.528 286 F N 0.888 120.789 119.950 -0.083 0.000 2.399 286 F HA 0.558 5.085 4.527 -0.001 0.000 0.313 286 F C 1.783 177.638 175.800 0.092 0.000 1.202 286 F CA -0.888 57.080 58.000 -0.052 0.000 1.192 286 F CB 0.491 39.314 39.000 -0.296 0.000 1.256 286 F HN 0.229 nan 8.300 nan 0.000 0.558 287 M N 0.828 120.673 119.600 0.408 0.000 2.167 287 M HA 0.347 4.826 4.480 -0.001 0.000 0.300 287 M C -2.729 173.718 176.300 0.245 0.000 1.171 287 M CA -1.571 53.941 55.300 0.354 0.000 1.171 287 M CB -0.551 32.299 32.600 0.416 0.000 1.396 287 M HN 0.079 nan 8.290 nan 0.000 0.466 288 P HA 0.017 nan 4.420 nan 0.000 0.266 288 P C 0.245 177.464 177.300 -0.136 0.000 1.195 288 P CA 0.080 63.152 63.100 -0.047 0.000 0.768 288 P CB 0.807 32.382 31.700 -0.207 0.000 0.838 289 S N 2.375 117.978 115.700 -0.162 0.000 2.374 289 S HA -0.203 4.267 4.470 -0.001 0.000 0.227 289 S C 1.276 175.654 174.600 -0.370 0.000 1.037 289 S CA 2.026 59.911 58.200 -0.525 0.000 1.024 289 S CB -0.973 62.030 63.200 -0.329 0.000 0.861 289 S HN 0.634 nan 8.310 nan 0.000 0.456 290 D N -0.311 119.938 120.400 -0.252 0.000 2.378 290 D HA -0.020 4.620 4.640 -0.001 0.000 0.227 290 D C 1.469 177.633 176.300 -0.227 0.000 1.012 290 D CA 0.339 54.209 54.000 -0.216 0.000 0.905 290 D CB -0.196 40.474 40.800 -0.216 0.000 0.895 290 D HN 0.279 nan 8.370 nan 0.000 0.532 291 R N -0.307 120.031 120.500 -0.270 0.000 2.476 291 R HA 0.436 4.775 4.340 -0.001 0.000 0.276 291 R C 0.125 176.382 176.300 -0.071 0.000 0.941 291 R CA -0.030 55.934 56.100 -0.228 0.000 1.088 291 R CB 0.669 30.558 30.300 -0.684 0.000 1.216 291 R HN 0.192 nan 8.270 nan 0.000 0.533 292 A N 1.384 124.127 122.820 -0.128 0.000 2.306 292 A HA 0.582 4.901 4.320 -0.001 0.000 0.314 292 A C -0.760 176.800 177.584 -0.040 0.000 1.164 292 A CA -0.465 51.519 52.037 -0.089 0.000 0.822 292 A CB 0.771 19.637 19.000 -0.224 0.000 1.130 292 A HN 0.178 nan 8.150 nan 0.000 0.496 293 L N 4.051 125.278 121.223 0.007 0.000 2.316 293 L HA 0.628 4.967 4.340 -0.001 0.000 0.280 293 L C -0.292 176.557 176.870 -0.035 0.000 1.006 293 L CA -0.447 54.404 54.840 0.018 0.000 0.836 293 L CB 1.500 43.553 42.059 -0.010 0.000 1.221 293 L HN 0.708 nan 8.230 nan 0.000 0.418 294 V N 2.323 122.131 119.914 -0.178 0.000 2.975 294 V HA 0.843 4.962 4.120 -0.001 0.000 0.318 294 V C -0.630 175.319 176.094 -0.242 0.000 1.077 294 V CA -0.599 61.403 62.300 -0.496 0.000 1.000 294 V CB 1.619 32.825 31.823 -1.028 0.000 1.066 294 V HN 0.779 nan 8.190 nan 0.000 0.452 295 F N -0.829 118.874 119.950 -0.411 0.000 2.769 295 F HA 0.707 5.234 4.527 -0.001 0.000 0.313 295 F C -0.032 175.768 175.800 -0.000 0.000 1.146 295 F CA -0.875 57.013 58.000 -0.187 0.000 0.934 295 F CB 0.753 39.655 39.000 -0.163 0.000 1.283 295 F HN 0.254 nan 8.300 nan 0.000 0.443 296 V N 0.034 120.071 119.914 0.206 0.000 2.379 296 V HA 0.038 4.157 4.120 -0.001 0.000 0.243 296 V C 0.101 176.377 176.094 0.303 0.000 1.035 296 V CA 1.969 64.393 62.300 0.207 0.000 1.035 296 V CB -0.524 31.380 31.823 0.134 0.000 0.673 296 V HN 0.910 nan 8.190 nan 0.000 0.457 297 D N -0.502 120.158 120.400 0.433 0.000 2.596 297 D HA 0.290 4.930 4.640 -0.001 0.000 0.234 297 D C -1.039 175.463 176.300 0.336 0.000 1.181 297 D CA -0.640 53.601 54.000 0.402 0.000 0.856 297 D CB 1.736 42.720 40.800 0.307 0.000 1.498 297 D HN 0.268 nan 8.370 nan 0.000 0.446 298 N N -1.512 117.291 118.700 0.172 0.000 2.701 298 N HA 0.107 4.846 4.740 -0.001 0.000 0.290 298 N C 1.225 176.650 175.510 -0.141 0.000 1.338 298 N CA -0.478 52.534 53.050 -0.063 0.000 0.799 298 N CB 0.399 38.702 38.487 -0.307 0.000 1.491 298 N HN 0.608 nan 8.380 nan 0.000 0.540 299 H N -1.183 117.701 119.070 -0.311 0.000 2.422 299 H HA -0.103 4.453 4.556 -0.001 0.000 0.298 299 H C 0.449 175.383 175.328 -0.655 0.000 1.098 299 H CA 1.496 57.088 56.048 -0.760 0.000 1.315 299 H CB -0.050 28.899 29.762 -1.355 0.000 1.382 299 H HN 0.684 nan 8.280 nan 0.000 0.523 300 D N 1.697 121.514 120.400 -0.972 0.000 2.107 300 D HA -0.141 4.499 4.640 -0.001 0.000 0.204 300 D C 1.711 177.843 176.300 -0.280 0.000 0.978 300 D CA 1.263 54.901 54.000 -0.604 0.000 0.852 300 D CB 0.061 40.550 40.800 -0.518 0.000 1.008 300 D HN 0.520 nan 8.370 nan 0.000 0.458 301 N N 1.003 119.626 118.700 -0.127 0.000 2.512 301 N HA -0.197 4.543 4.740 -0.001 0.000 0.183 301 N C 1.681 177.227 175.510 0.061 0.000 1.073 301 N CA 0.954 54.009 53.050 0.008 0.000 0.911 301 N CB -0.865 37.706 38.487 0.141 0.000 0.964 301 N HN 0.441 nan 8.380 nan 0.000 0.447 302 Q N -0.218 119.605 119.800 0.038 0.000 2.436 302 Q HA 0.046 4.386 4.340 -0.001 0.000 0.209 302 Q C 1.283 177.442 176.000 0.265 0.000 0.965 302 Q CA 0.622 56.509 55.803 0.141 0.000 0.910 302 Q CB -0.152 28.669 28.738 0.138 0.000 0.980 302 Q HN 0.263 nan 8.270 nan 0.000 0.491 303 R N -0.199 120.388 120.500 0.145 0.000 2.310 303 R HA 0.149 4.488 4.340 -0.001 0.000 0.202 303 R C 0.909 177.369 176.300 0.266 0.000 0.933 303 R CA 0.550 56.792 56.100 0.237 0.000 1.054 303 R CB 0.367 30.678 30.300 0.018 0.000 0.985 303 R HN 0.575 nan 8.270 nan 0.000 0.489 304 G N 1.041 109.979 108.800 0.230 0.000 2.299 304 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.237 304 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.237 304 G C 0.377 175.443 174.900 0.276 0.000 1.027 304 G CA 0.583 45.858 45.100 0.291 0.000 0.619 304 G HN 0.680 nan 8.290 nan 0.000 0.513 305 H N -0.484 118.688 119.070 0.170 0.000 2.505 305 H HA 0.655 5.210 4.556 -0.001 0.000 0.260 305 H C 0.815 176.187 175.328 0.073 0.000 1.168 305 H CA 0.312 56.433 56.048 0.121 0.000 0.945 305 H CB 0.136 29.970 29.762 0.121 0.000 1.800 305 H HN 0.619 nan 8.280 nan 0.000 0.586 306 G N 0.024 108.813 108.800 -0.018 0.000 2.857 306 G HA2 0.565 4.524 3.960 -0.001 0.000 0.217 306 G HA3 0.565 4.524 3.960 -0.001 0.000 0.217 306 G C -0.527 174.368 174.900 -0.008 0.000 1.357 306 G CA -0.866 44.200 45.100 -0.057 0.000 1.033 306 G HN 0.550 nan 8.290 nan 0.000 0.571 307 A N -1.243 121.543 122.820 -0.057 0.000 2.515 307 A HA 0.513 4.833 4.320 -0.001 0.000 0.263 307 A C 1.375 179.028 177.584 0.114 0.000 1.096 307 A CA 1.297 53.317 52.037 -0.028 0.000 0.769 307 A CB -0.699 18.185 19.000 -0.192 0.000 1.040 307 A HN 2.448 nan 8.150 nan 0.000 0.505 308 G N 1.689 110.550 108.800 0.103 0.000 2.259 308 G HA2 0.158 4.118 3.960 -0.001 0.000 0.217 308 G HA3 0.158 4.118 3.960 -0.001 0.000 0.217 308 G C 1.741 176.725 174.900 0.141 0.000 1.001 308 G CA 0.729 45.908 45.100 0.132 0.000 0.627 308 G HN 2.796 nan 8.290 nan 0.000 0.501 309 G N 0.185 109.065 108.800 0.133 0.000 2.596 309 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.295 309 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.295 309 G C 1.616 176.629 174.900 0.188 0.000 1.240 309 G CA 2.747 47.943 45.100 0.159 0.000 0.985 309 G HN 2.114 nan 8.290 nan 0.000 0.555 310 S N 0.099 115.934 115.700 0.225 0.000 2.515 310 S HA 0.053 4.522 4.470 -0.001 0.000 0.231 310 S C 2.423 177.193 174.600 0.284 0.000 0.987 310 S CA 1.899 60.258 58.200 0.264 0.000 0.936 310 S CB -0.307 63.063 63.200 0.283 0.000 0.766 310 S HN 2.049 nan 8.310 nan 0.000 0.528 311 S N 1.497 117.362 115.700 0.276 0.000 2.453 311 S HA 0.141 4.610 4.470 -0.001 0.000 0.231 311 S C 0.834 175.392 174.600 -0.069 0.000 1.005 311 S CA -0.198 58.016 58.200 0.022 0.000 0.949 311 S CB -0.738 62.549 63.200 0.144 0.000 0.774 311 S HN 0.412 nan 8.310 nan 0.000 0.510 312 I N 3.002 123.602 120.570 0.051 0.000 2.668 312 I HA 0.130 4.300 4.170 -0.001 0.000 0.285 312 I C 0.333 176.482 176.117 0.054 0.000 1.168 312 I CA -0.158 61.186 61.300 0.074 0.000 1.424 312 I CB -0.356 37.726 38.000 0.137 0.000 1.377 312 I HN 0.333 nan 8.210 nan 0.000 0.560 313 L N 7.037 128.308 121.223 0.081 0.000 2.350 313 L HA 0.401 4.740 4.340 -0.001 0.000 0.275 313 L C 0.710 177.690 176.870 0.183 0.000 1.099 313 L CA -0.156 54.762 54.840 0.130 0.000 0.808 313 L CB 1.437 43.603 42.059 0.179 0.000 1.149 313 L HN 0.775 nan 8.230 nan 0.000 0.442 314 T N -1.647 112.860 114.554 -0.078 0.000 2.716 314 T HA 0.328 4.677 4.350 -0.001 0.000 0.286 314 T C 0.776 174.957 174.700 -0.865 0.000 1.052 314 T CA -0.611 61.166 62.100 -0.539 0.000 1.024 314 T CB 0.716 69.435 68.868 -0.247 0.000 1.349 314 T HN 0.416 nan 8.240 nan 0.000 0.525 315 F N -1.106 118.330 119.950 -0.858 0.000 2.307 315 F HA 0.174 4.700 4.527 -0.001 0.000 0.301 315 F C 1.670 177.392 175.800 -0.129 0.000 1.076 315 F CA 0.084 57.823 58.000 -0.435 0.000 1.383 315 F CB -0.966 37.802 39.000 -0.386 0.000 1.055 315 F HN 0.546 nan 8.300 nan 0.000 0.526 316 W N 1.598 122.484 121.300 -0.690 0.000 2.465 316 W HA -0.067 4.593 4.660 -0.001 0.000 0.268 316 W C 0.536 176.970 176.519 -0.141 0.000 1.242 316 W CA 0.678 57.768 57.345 -0.426 0.000 1.248 316 W CB -0.084 29.050 29.460 -0.544 0.000 1.118 316 W HN 0.017 nan 8.180 nan 0.000 0.587 317 D N -0.268 120.195 120.400 0.105 0.000 3.018 317 D HA 0.258 4.897 4.640 -0.001 0.000 0.331 317 D C 1.362 177.782 176.300 0.200 0.000 1.334 317 D CA 0.167 54.239 54.000 0.121 0.000 0.900 317 D CB 0.325 41.169 40.800 0.072 0.000 1.059 317 D HN -0.002 nan 8.370 nan 0.000 0.498 318 A N 1.382 124.350 122.820 0.246 0.000 1.909 318 A HA -0.334 3.986 4.320 -0.001 0.000 0.221 318 A C 2.197 179.975 177.584 0.325 0.000 1.223 318 A CA 1.818 54.068 52.037 0.356 0.000 0.658 318 A CB -0.452 18.634 19.000 0.143 0.000 0.831 318 A HN 0.337 nan 8.150 nan 0.000 0.462 319 R N -1.323 119.288 120.500 0.186 0.000 2.080 319 R HA -0.135 4.205 4.340 -0.001 0.000 0.236 319 R C 1.978 178.379 176.300 0.167 0.000 1.137 319 R CA 1.817 58.014 56.100 0.163 0.000 0.943 319 R CB -0.397 29.963 30.300 0.099 0.000 0.846 319 R HN 0.402 nan 8.270 nan 0.000 0.431 320 L N -0.175 121.121 121.223 0.122 0.000 2.141 320 L HA -0.130 4.209 4.340 -0.001 0.000 0.209 320 L C 2.046 178.972 176.870 0.093 0.000 1.094 320 L CA 1.434 56.303 54.840 0.049 0.000 0.763 320 L CB -0.956 41.095 42.059 -0.013 0.000 0.908 320 L HN 0.260 nan 8.230 nan 0.000 0.437 321 Y N 0.559 120.904 120.300 0.075 0.000 2.181 321 Y HA -0.251 4.298 4.550 -0.001 0.000 0.288 321 Y C 2.443 178.430 175.900 0.146 0.000 1.146 321 Y CA 1.704 59.872 58.100 0.114 0.000 1.164 321 Y CB -0.072 38.515 38.460 0.212 0.000 0.982 321 Y HN 0.104 nan 8.280 nan 0.000 0.515 322 K N -0.150 120.401 120.400 0.253 0.000 2.148 322 K HA -0.130 4.189 4.320 -0.001 0.000 0.204 322 K C 2.057 178.624 176.600 -0.056 0.000 1.050 322 K CA 1.655 58.078 56.287 0.228 0.000 0.942 322 K CB -0.217 32.574 32.500 0.485 0.000 0.724 322 K HN 0.365 nan 8.250 nan 0.000 0.446 323 I N 0.753 121.206 120.570 -0.194 0.000 2.202 323 I HA -0.268 3.901 4.170 -0.001 0.000 0.242 323 I C 2.467 178.356 176.117 -0.380 0.000 1.091 323 I CA 1.082 62.076 61.300 -0.510 0.000 1.368 323 I CB -0.314 37.513 38.000 -0.289 0.000 1.058 323 I HN 0.143 nan 8.210 nan 0.000 0.410 324 A N 0.302 122.954 122.820 -0.280 0.000 1.898 324 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 324 A C 2.397 179.888 177.584 -0.154 0.000 1.181 324 A CA 1.607 53.489 52.037 -0.258 0.000 0.620 324 A CB -0.918 17.958 19.000 -0.205 0.000 0.819 324 A HN 0.236 nan 8.150 nan 0.000 0.442 325 V N -0.089 119.693 119.914 -0.219 0.000 2.427 325 V HA -0.152 3.967 4.120 -0.001 0.000 0.248 325 V C 2.770 178.852 176.094 -0.020 0.000 1.051 325 V CA 1.851 64.056 62.300 -0.159 0.000 1.048 325 V CB -1.334 30.306 31.823 -0.305 0.000 0.666 325 V HN 0.615 nan 8.190 nan 0.000 0.456 326 G N -1.017 107.772 108.800 -0.020 0.000 2.402 326 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.216 326 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.216 326 G C 1.565 176.560 174.900 0.157 0.000 1.162 326 G CA 0.854 46.001 45.100 0.079 0.000 0.777 326 G HN 0.480 nan 8.290 nan 0.000 0.539 327 F N 0.889 120.842 119.950 0.005 0.000 2.102 327 F HA 0.003 4.530 4.527 -0.001 0.000 0.298 327 F C 2.647 178.539 175.800 0.152 0.000 1.105 327 F CA 2.035 60.041 58.000 0.010 0.000 1.239 327 F CB -0.075 38.614 39.000 -0.517 0.000 0.991 327 F HN 0.151 nan 8.300 nan 0.000 0.474 328 M N 0.011 119.785 119.600 0.290 0.000 2.080 328 M HA -0.229 4.250 4.480 -0.001 0.000 0.260 328 M C 1.969 178.396 176.300 0.211 0.000 1.068 328 M CA 1.962 57.479 55.300 0.361 0.000 1.109 328 M CB -0.475 32.320 32.600 0.326 0.000 1.342 328 M HN 0.289 nan 8.290 nan 0.000 0.405 329 L N 0.015 121.299 121.223 0.102 0.000 2.275 329 L HA -0.101 4.239 4.340 -0.001 0.000 0.215 329 L C 2.586 179.507 176.870 0.084 0.000 1.119 329 L CA 0.831 55.702 54.840 0.051 0.000 0.790 329 L CB -0.743 41.322 42.059 0.010 0.000 0.919 329 L HN 0.439 nan 8.230 nan 0.000 0.443 330 A N -2.099 120.751 122.820 0.048 0.000 1.984 330 A HA -0.067 4.253 4.320 -0.001 0.000 0.214 330 A C 1.197 179.039 177.584 0.430 0.000 1.173 330 A CA 0.174 52.260 52.037 0.082 0.000 0.673 330 A CB -0.334 18.482 19.000 -0.307 0.000 0.830 330 A HN 0.284 nan 8.150 nan 0.000 0.453 331 H N 1.134 120.374 119.070 0.283 0.000 2.722 331 H HA 0.138 4.693 4.556 -0.001 0.000 0.328 331 H C -1.606 173.856 175.328 0.222 0.000 1.067 331 H CA -1.194 54.976 56.048 0.205 0.000 1.447 331 H CB 1.406 31.165 29.762 -0.005 0.000 1.469 331 H HN 0.126 nan 8.280 nan 0.000 0.544 332 P HA -0.165 nan 4.420 nan 0.000 0.225 332 P C 0.292 177.705 177.300 0.188 0.000 1.148 332 P CA 0.658 63.809 63.100 0.084 0.000 0.779 332 P CB -0.135 31.568 31.700 0.005 0.000 0.780 333 Y N 2.257 122.749 120.300 0.320 0.000 2.632 333 Y HA 0.312 4.862 4.550 -0.001 0.000 0.329 333 Y C 1.288 177.253 175.900 0.108 0.000 1.174 333 Y CA 1.363 59.601 58.100 0.230 0.000 1.469 333 Y CB -0.316 38.302 38.460 0.263 0.000 1.242 333 Y HN 0.301 nan 8.280 nan 0.000 0.540 334 G N 4.668 113.099 108.800 -0.615 0.000 2.894 334 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.247 334 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.247 334 G C -1.280 173.526 174.900 -0.157 0.000 1.442 334 G CA -0.245 44.575 45.100 -0.468 0.000 0.897 334 G HN 0.925 nan 8.290 nan 0.000 0.550 335 F N 1.958 121.771 119.950 -0.229 0.000 2.404 335 F HA 0.618 5.144 4.527 -0.001 0.000 0.354 335 F C 1.242 176.932 175.800 -0.183 0.000 1.122 335 F CA 0.037 57.928 58.000 -0.181 0.000 1.080 335 F CB 1.286 40.187 39.000 -0.165 0.000 1.131 335 F HN 0.812 nan 8.300 nan 0.000 0.471 336 T N 4.190 118.297 114.554 -0.746 0.000 2.832 336 T HA 0.348 4.698 4.350 -0.001 0.000 0.296 336 T C -0.263 174.164 174.700 -0.456 0.000 0.968 336 T CA -0.834 60.966 62.100 -0.499 0.000 1.107 336 T CB 1.118 69.769 68.868 -0.361 0.000 0.916 336 T HN 0.788 nan 8.240 nan 0.000 0.517 337 R N 2.681 123.062 120.500 -0.198 0.000 2.409 337 R HA 0.558 4.898 4.340 -0.001 0.000 0.313 337 R C -1.391 174.907 176.300 -0.003 0.000 0.953 337 R CA -0.687 55.349 56.100 -0.107 0.000 0.849 337 R CB 1.266 31.491 30.300 -0.125 0.000 1.171 337 R HN 0.601 nan 8.270 nan 0.000 0.458 338 V N 5.590 125.522 119.914 0.031 0.000 2.509 338 V HA 0.277 4.396 4.120 -0.001 0.000 0.284 338 V C 0.352 176.517 176.094 0.118 0.000 1.047 338 V CA -0.594 61.762 62.300 0.094 0.000 0.952 338 V CB 1.453 33.369 31.823 0.154 0.000 0.988 338 V HN 0.788 nan 8.190 nan 0.000 0.469 339 M N 4.117 123.808 119.600 0.151 0.000 2.314 339 M HA 0.484 4.964 4.480 -0.001 0.000 0.342 339 M C -0.154 176.195 176.300 0.082 0.000 1.171 339 M CA 0.624 56.009 55.300 0.142 0.000 1.098 339 M CB 1.454 34.173 32.600 0.199 0.000 1.559 339 M HN 0.619 nan 8.290 nan 0.000 0.459 340 S N 2.484 118.191 115.700 0.013 0.000 2.733 340 S HA 0.788 5.257 4.470 -0.001 0.000 0.294 340 S C -1.240 173.423 174.600 0.104 0.000 1.149 340 S CA -0.619 57.590 58.200 0.014 0.000 1.034 340 S CB 0.626 63.722 63.200 -0.174 0.000 1.015 340 S HN 0.844 nan 8.310 nan 0.000 0.486 341 S N 2.902 118.652 115.700 0.084 0.000 2.801 341 S HA 0.820 5.290 4.470 -0.001 0.000 0.312 341 S C -1.369 173.325 174.600 0.157 0.000 1.112 341 S CA -0.778 57.484 58.200 0.103 0.000 0.943 341 S CB 0.687 63.845 63.200 -0.070 0.000 1.269 341 S HN 0.790 nan 8.310 nan 0.000 0.558 342 Y N -0.940 119.434 120.300 0.123 0.000 2.512 342 Y HA 0.753 5.302 4.550 -0.001 0.000 0.348 342 Y C -0.437 175.494 175.900 0.053 0.000 0.990 342 Y CA -1.390 56.675 58.100 -0.057 0.000 1.033 342 Y CB 0.759 39.047 38.460 -0.287 0.000 1.259 342 Y HN 0.406 nan 8.280 nan 0.000 0.461 343 R N 1.586 122.172 120.500 0.144 0.000 2.531 343 R HA 0.448 4.788 4.340 -0.001 0.000 0.273 343 R C -1.403 175.268 176.300 0.617 0.000 1.070 343 R CA -0.280 55.982 56.100 0.269 0.000 1.112 343 R CB 0.850 31.193 30.300 0.071 0.000 1.049 343 R HN 0.977 nan 8.270 nan 0.000 0.508 344 W N -0.937 120.652 121.300 0.482 0.000 3.075 344 W HA 0.611 5.270 4.660 -0.001 0.000 0.334 344 W C -1.606 175.074 176.519 0.268 0.000 1.243 344 W CA -1.271 56.259 57.345 0.308 0.000 1.170 344 W CB 0.846 30.465 29.460 0.266 0.000 1.452 344 W HN 0.574 nan 8.180 nan 0.000 0.572 345 A N 3.603 126.529 122.820 0.176 0.000 2.457 345 A HA 0.465 4.784 4.320 -0.001 0.000 0.298 345 A C 0.164 177.685 177.584 -0.106 0.000 1.288 345 A CA -0.537 51.493 52.037 -0.012 0.000 0.956 345 A CB -0.233 18.785 19.000 0.031 0.000 1.135 345 A HN 0.618 nan 8.150 nan 0.000 0.535 346 R N 1.917 122.171 120.500 -0.410 0.000 2.539 346 R HA 0.284 4.623 4.340 -0.001 0.000 0.275 346 R C -0.462 175.659 176.300 -0.299 0.000 1.077 346 R CA -0.317 55.505 56.100 -0.463 0.000 1.097 346 R CB 0.553 30.360 30.300 -0.822 0.000 1.018 346 R HN 0.694 nan 8.270 nan 0.000 0.483 347 N N 2.588 121.097 118.700 -0.317 0.000 2.653 347 N HA 0.130 4.869 4.740 -0.001 0.000 0.261 347 N C -1.739 173.672 175.510 -0.164 0.000 1.216 347 N CA -0.358 52.606 53.050 -0.143 0.000 0.784 347 N CB 0.398 38.865 38.487 -0.032 0.000 1.327 347 N HN 0.321 nan 8.380 nan 0.000 0.539 348 F N 1.930 121.877 119.950 -0.004 0.000 2.445 348 F HA 0.297 4.823 4.527 -0.001 0.000 0.359 348 F C 0.837 176.648 175.800 0.018 0.000 1.101 348 F CA -0.536 57.472 58.000 0.014 0.000 1.177 348 F CB 0.940 39.932 39.000 -0.013 0.000 1.110 348 F HN 0.130 nan 8.300 nan 0.000 0.522 349 V N 0.636 120.662 119.914 0.186 0.000 2.444 349 V HA 0.475 4.594 4.120 -0.001 0.000 0.294 349 V C -0.112 176.047 176.094 0.109 0.000 1.022 349 V CA -1.278 61.093 62.300 0.119 0.000 0.850 349 V CB 1.126 32.998 31.823 0.082 0.000 0.992 349 V HN 0.904 nan 8.190 nan 0.000 0.426 350 N N 3.632 122.382 118.700 0.084 0.000 2.735 350 N HA -0.162 4.577 4.740 -0.001 0.000 0.248 350 N C 1.105 176.659 175.510 0.073 0.000 1.083 350 N CA 1.003 54.088 53.050 0.059 0.000 0.703 350 N CB -1.187 37.325 38.487 0.041 0.000 1.005 350 N HN 1.999 nan 8.380 nan 0.000 0.550 351 G N -0.537 108.327 108.800 0.106 0.000 2.179 351 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.260 351 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.260 351 G C -0.190 174.866 174.900 0.260 0.000 0.977 351 G CA 0.691 45.860 45.100 0.115 0.000 0.641 351 G HN 0.637 nan 8.290 nan 0.000 0.533 352 E N 0.163 120.541 120.200 0.297 0.000 2.272 352 E HA 0.451 4.800 4.350 -0.001 0.000 0.269 352 E C -1.373 175.349 176.600 0.203 0.000 0.877 352 E CA -0.944 55.632 56.400 0.293 0.000 0.755 352 E CB 1.182 30.933 29.700 0.084 0.000 1.192 352 E HN 0.015 nan 8.360 nan 0.000 0.422 353 D N 3.743 124.174 120.400 0.051 0.000 2.344 353 D HA 0.004 4.644 4.640 -0.001 0.000 0.253 353 D C 0.998 177.315 176.300 0.028 0.000 1.255 353 D CA -0.132 53.698 54.000 -0.283 0.000 0.894 353 D CB 1.312 41.830 40.800 -0.470 0.000 1.067 353 D HN 0.300 nan 8.370 nan 0.000 0.492 354 V N 1.720 121.662 119.914 0.047 0.000 3.380 354 V HA 0.064 4.183 4.120 -0.001 0.000 0.268 354 V C 0.851 177.112 176.094 0.279 0.000 1.168 354 V CA 0.599 63.005 62.300 0.175 0.000 1.156 354 V CB -0.429 31.487 31.823 0.156 0.000 0.785 354 V HN 0.289 nan 8.190 nan 0.000 0.487 355 N N 1.724 120.500 118.700 0.126 0.000 2.235 355 N HA 0.046 4.785 4.740 -0.001 0.000 0.209 355 N C 1.153 176.563 175.510 -0.168 0.000 1.122 355 N CA 0.782 53.792 53.050 -0.067 0.000 0.845 355 N CB -0.039 38.439 38.487 -0.014 0.000 1.004 355 N HN 0.788 nan 8.380 nan 0.000 0.499 356 D N -0.131 120.331 120.400 0.103 0.000 2.378 356 D HA -0.164 4.475 4.640 -0.001 0.000 0.222 356 D C 1.493 177.961 176.300 0.280 0.000 0.980 356 D CA 0.329 54.404 54.000 0.125 0.000 0.907 356 D CB -0.488 40.502 40.800 0.317 0.000 0.899 356 D HN 0.525 nan 8.370 nan 0.000 0.527 357 W N 1.026 122.538 121.300 0.353 0.000 2.658 357 W HA 0.232 4.891 4.660 -0.001 0.000 0.263 357 W C 0.474 177.095 176.519 0.170 0.000 1.274 357 W CA -0.764 56.775 57.345 0.323 0.000 1.343 357 W CB -0.740 28.893 29.460 0.288 0.000 1.106 357 W HN -0.243 nan 8.180 nan 0.000 0.615 358 I N 3.030 123.204 120.570 -0.661 0.000 3.015 358 I HA -0.078 4.091 4.170 -0.001 0.000 0.309 358 I C 1.514 177.668 176.117 0.062 0.000 1.229 358 I CA 0.972 61.918 61.300 -0.590 0.000 1.430 358 I CB -0.208 37.474 38.000 -0.528 0.000 1.347 358 I HN -0.082 nan 8.210 nan 0.000 0.544 359 G N 8.138 116.969 108.800 0.051 0.000 2.621 359 G HA2 0.353 4.312 3.960 -0.001 0.000 0.271 359 G HA3 0.353 4.312 3.960 -0.001 0.000 0.271 359 G C -2.363 172.287 174.900 -0.417 0.000 1.236 359 G CA -0.916 44.191 45.100 0.013 0.000 0.958 359 G HN 0.440 nan 8.290 nan 0.000 0.512 360 P HA 0.127 nan 4.420 nan 0.000 0.270 360 P C -2.643 174.121 177.300 -0.894 0.000 1.227 360 P CA -0.873 61.357 63.100 -1.451 0.000 0.788 360 P CB -0.221 31.022 31.700 -0.761 0.000 0.926 361 P HA 0.030 nan 4.420 nan 0.000 0.261 361 P C -0.329 176.741 177.300 -0.383 0.000 1.183 361 P CA 0.821 63.529 63.100 -0.655 0.000 0.761 361 P CB -0.238 30.903 31.700 -0.932 0.000 0.785 362 N N 0.806 119.363 118.700 -0.238 0.000 2.708 362 N HA 0.352 5.092 4.740 -0.001 0.000 0.257 362 N C -1.538 173.915 175.510 -0.094 0.000 1.373 362 N CA -1.065 51.899 53.050 -0.143 0.000 0.843 362 N CB 1.171 39.578 38.487 -0.132 0.000 1.503 362 N HN 0.044 nan 8.380 nan 0.000 0.504 363 N N 0.095 118.755 118.700 -0.066 0.000 2.626 363 N HA 0.343 5.082 4.740 -0.001 0.000 0.242 363 N C -1.268 174.219 175.510 -0.038 0.000 1.005 363 N CA -0.748 52.274 53.050 -0.046 0.000 0.905 363 N CB 0.501 38.966 38.487 -0.036 0.000 1.128 363 N HN 0.745 nan 8.380 nan 0.000 0.512 364 N N 1.702 120.383 118.700 -0.033 0.000 2.740 364 N HA -0.232 4.508 4.740 -0.001 0.000 0.248 364 N C 0.873 176.364 175.510 -0.033 0.000 1.062 364 N CA 0.657 53.692 53.050 -0.026 0.000 0.704 364 N CB -1.002 37.472 38.487 -0.020 0.000 0.968 364 N HN 0.902 nan 8.380 nan 0.000 0.547 365 G N -2.806 105.968 108.800 -0.043 0.000 2.234 365 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.235 365 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.235 365 G C 0.086 174.951 174.900 -0.060 0.000 0.997 365 G CA 0.055 45.125 45.100 -0.051 0.000 0.623 365 G HN 0.489 nan 8.290 nan 0.000 0.514 366 V N 3.187 123.069 119.914 -0.054 0.000 2.408 366 V HA 0.420 4.540 4.120 -0.001 0.000 0.267 366 V C 1.243 177.301 176.094 -0.061 0.000 1.047 366 V CA -0.605 61.662 62.300 -0.055 0.000 0.937 366 V CB 1.117 32.915 31.823 -0.042 0.000 0.999 366 V HN 0.355 nan 8.190 nan 0.000 0.472 367 I N 5.184 125.715 120.570 -0.065 0.000 2.752 367 I HA 0.025 4.195 4.170 -0.001 0.000 0.289 367 I C 0.931 177.050 176.117 0.003 0.000 1.197 367 I CA 0.277 61.553 61.300 -0.041 0.000 1.432 367 I CB 0.123 38.106 38.000 -0.028 0.000 1.359 367 I HN 0.572 nan 8.210 nan 0.000 0.571 368 K N 6.220 126.649 120.400 0.049 0.000 2.295 368 K HA 0.118 4.437 4.320 -0.001 0.000 0.270 368 K C 0.225 176.913 176.600 0.147 0.000 1.011 368 K CA -0.466 55.871 56.287 0.084 0.000 0.953 368 K CB 0.601 33.134 32.500 0.055 0.000 0.956 368 K HN 0.598 nan 8.250 nan 0.000 0.477 369 E N 0.365 120.583 120.200 0.029 0.000 2.392 369 E HA 0.114 4.463 4.350 -0.001 0.000 0.256 369 E C -0.774 175.737 176.600 -0.148 0.000 1.145 369 E CA -0.761 55.579 56.400 -0.099 0.000 0.929 369 E CB 0.633 30.284 29.700 -0.082 0.000 0.998 369 E HN 0.051 nan 8.360 nan 0.000 0.442 370 V N 2.472 122.106 119.914 -0.466 0.000 2.348 370 V HA 0.164 4.283 4.120 -0.001 0.000 0.270 370 V C 0.211 176.145 176.094 -0.267 0.000 1.037 370 V CA -0.402 61.517 62.300 -0.635 0.000 0.872 370 V CB 0.477 31.516 31.823 -1.306 0.000 1.002 370 V HN 0.817 nan 8.190 nan 0.000 0.464 371 T N 4.109 118.603 114.554 -0.100 0.000 2.845 371 T HA 0.649 4.998 4.350 -0.001 0.000 0.288 371 T C -0.424 174.253 174.700 -0.038 0.000 0.980 371 T CA -0.684 61.386 62.100 -0.049 0.000 1.071 371 T CB 1.302 70.165 68.868 -0.008 0.000 0.941 371 T HN 0.223 nan 8.240 nan 0.000 0.487 372 I N 3.078 123.631 120.570 -0.029 0.000 2.354 372 I HA 0.340 4.510 4.170 -0.001 0.000 0.292 372 I C 0.421 176.537 176.117 -0.003 0.000 0.989 372 I CA -0.961 60.328 61.300 -0.018 0.000 1.188 372 I CB 0.756 38.747 38.000 -0.014 0.000 1.342 372 I HN 0.782 nan 8.210 nan 0.000 0.457 373 N N 3.187 121.889 118.700 0.003 0.000 2.434 373 N HA 0.409 5.148 4.740 -0.001 0.000 0.266 373 N C 1.206 176.722 175.510 0.011 0.000 1.223 373 N CA -0.382 52.673 53.050 0.008 0.000 0.972 373 N CB 1.209 39.703 38.487 0.012 0.000 1.207 373 N HN 0.687 nan 8.380 nan 0.000 0.525 374 A N 0.641 123.468 122.820 0.011 0.000 1.978 374 A HA -0.202 4.117 4.320 -0.001 0.000 0.220 374 A C 1.252 178.845 177.584 0.016 0.000 1.170 374 A CA 1.811 53.856 52.037 0.013 0.000 0.636 374 A CB -0.545 18.461 19.000 0.010 0.000 0.810 374 A HN 0.867 nan 8.150 nan 0.000 0.448 375 D N -1.286 119.123 120.400 0.015 0.000 2.319 375 D HA -0.009 4.631 4.640 -0.001 0.000 0.230 375 D C 0.903 177.218 176.300 0.025 0.000 1.094 375 D CA 1.268 55.278 54.000 0.017 0.000 0.856 375 D CB -1.066 39.740 40.800 0.010 0.000 0.915 375 D HN 0.725 nan 8.370 nan 0.000 0.517 376 T N -4.356 110.211 114.554 0.022 0.000 6.412 376 T HA -0.271 4.078 4.350 -0.001 0.000 0.279 376 T C 0.546 175.239 174.700 -0.012 0.000 2.177 376 T CA 1.463 63.571 62.100 0.013 0.000 3.599 376 T CB -3.084 65.811 68.868 0.045 0.000 1.259 376 T HN 0.583 nan 8.240 nan 0.000 1.146 377 T N -1.117 113.446 114.554 0.015 0.000 2.770 377 T HA 0.662 5.012 4.350 -0.001 0.000 0.281 377 T C 0.777 175.492 174.700 0.024 0.000 0.981 377 T CA -0.271 61.852 62.100 0.037 0.000 0.955 377 T CB 1.349 70.251 68.868 0.057 0.000 1.060 377 T HN 0.634 nan 8.240 nan 0.000 0.531 378 c N 0.288 118.922 118.600 0.057 0.000 2.454 378 c HA 0.894 5.463 4.570 -0.001 0.000 0.336 378 c C 1.293 175.431 174.090 0.080 0.000 1.189 378 c CA -0.466 55.901 56.329 0.062 0.000 1.877 378 c CB 0.893 43.466 42.510 0.105 0.000 2.348 378 c HN 1.197 nan 8.230 nan 0.000 0.508 379 G N 0.407 109.252 108.800 0.076 0.000 2.642 379 G HA2 0.474 4.433 3.960 -0.001 0.000 0.291 379 G HA3 0.474 4.433 3.960 -0.001 0.000 0.291 379 G C -0.036 174.926 174.900 0.103 0.000 1.345 379 G CA -0.180 44.958 45.100 0.065 0.000 1.043 379 G HN 0.794 nan 8.290 nan 0.000 0.528 380 N N -0.138 118.579 118.700 0.028 0.000 2.708 380 N HA -0.154 4.586 4.740 -0.001 0.000 0.251 380 N C 0.066 175.420 175.510 -0.261 0.000 1.123 380 N CA 1.345 54.361 53.050 -0.057 0.000 0.739 380 N CB -0.652 37.862 38.487 0.044 0.000 1.113 380 N HN 0.655 nan 8.380 nan 0.000 0.561 381 D N -3.544 116.762 120.400 -0.157 0.000 3.076 381 D HA -0.220 4.420 4.640 -0.001 0.000 0.218 381 D C -0.567 175.593 176.300 -0.235 0.000 1.156 381 D CA 0.972 54.859 54.000 -0.188 0.000 0.921 381 D CB -1.489 39.201 40.800 -0.184 0.000 1.113 381 D HN 0.565 nan 8.370 nan 0.000 0.418 382 W N 0.279 121.555 121.300 -0.041 0.000 2.358 382 W HA 0.367 5.026 4.660 -0.000 0.000 0.307 382 W C 1.706 178.214 176.519 -0.018 0.000 1.203 382 W CA -0.985 56.349 57.345 -0.017 0.000 1.279 382 W CB 0.775 30.155 29.460 -0.133 0.000 1.264 382 W HN -0.253 nan 8.180 nan 0.000 0.474 383 V N 2.569 122.543 119.914 0.100 0.000 2.407 383 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 383 V C 1.323 177.468 176.094 0.085 0.000 1.055 383 V CA 0.764 63.022 62.300 -0.071 0.000 1.049 383 V CB -0.964 30.500 31.823 -0.598 0.000 0.662 383 V HN 0.862 nan 8.190 nan 0.000 0.455 384 c N 0.984 119.690 118.600 0.175 0.000 3.896 384 c HA -0.161 4.408 4.570 -0.001 0.000 0.300 384 c C 1.654 175.625 174.090 -0.198 0.000 1.322 384 c CA 0.528 56.942 56.329 0.142 0.000 2.130 384 c CB -2.562 39.998 42.510 0.083 0.000 1.363 384 c HN 0.686 nan 8.230 nan 0.000 0.642 385 E N 0.434 120.405 120.200 -0.382 0.000 2.153 385 E HA -0.181 4.169 4.350 -0.001 0.000 0.194 385 E C 1.965 178.293 176.600 -0.453 0.000 0.988 385 E CA 1.626 57.388 56.400 -1.064 0.000 0.811 385 E CB -0.168 29.072 29.700 -0.766 0.000 0.746 385 E HN 0.970 nan 8.360 nan 0.000 0.466 386 H N 0.012 118.982 119.070 -0.166 0.000 2.543 386 H HA 0.071 4.626 4.556 -0.001 0.000 0.286 386 H C 1.308 176.756 175.328 0.200 0.000 1.037 386 H CA 0.948 57.052 56.048 0.093 0.000 1.250 386 H CB -0.041 29.730 29.762 0.014 0.000 1.373 386 H HN 0.094 nan 8.280 nan 0.000 0.580 387 R N -0.714 119.532 120.500 -0.424 0.000 2.290 387 R HA 0.055 4.394 4.340 -0.001 0.000 0.197 387 R C -0.131 176.296 176.300 0.212 0.000 0.913 387 R CA -0.429 55.526 56.100 -0.242 0.000 1.040 387 R CB 0.263 30.244 30.300 -0.533 0.000 0.992 387 R HN 0.102 nan 8.270 nan 0.000 0.500 388 W N 1.920 123.254 121.300 0.056 0.000 2.264 388 W HA 0.093 4.752 4.660 -0.001 0.000 0.331 388 W C 1.590 178.190 176.519 0.135 0.000 1.364 388 W CA -0.887 56.516 57.345 0.098 0.000 1.253 388 W CB 0.022 29.566 29.460 0.139 0.000 1.215 388 W HN 0.080 nan 8.180 nan 0.000 0.561 389 R N 1.553 122.233 120.500 0.301 0.000 2.103 389 R HA -0.255 4.085 4.340 -0.001 0.000 0.242 389 R C 1.462 177.891 176.300 0.215 0.000 1.142 389 R CA 2.321 58.549 56.100 0.212 0.000 0.960 389 R CB 0.102 30.470 30.300 0.113 0.000 0.858 389 R HN 0.458 nan 8.270 nan 0.000 0.439 390 E N 0.096 120.434 120.200 0.230 0.000 2.153 390 E HA -0.150 4.199 4.350 -0.001 0.000 0.194 390 E C 1.822 178.596 176.600 0.290 0.000 0.988 390 E CA 1.461 57.990 56.400 0.216 0.000 0.811 390 E CB -0.017 29.837 29.700 0.257 0.000 0.746 390 E HN 0.478 nan 8.360 nan 0.000 0.466 391 I N -0.208 120.570 120.570 0.345 0.000 2.556 391 I HA -0.074 4.096 4.170 -0.001 0.000 0.251 391 I C 2.536 178.818 176.117 0.275 0.000 1.105 391 I CA 0.219 61.691 61.300 0.287 0.000 1.436 391 I CB -0.151 38.008 38.000 0.265 0.000 1.139 391 I HN 0.007 nan 8.210 nan 0.000 0.438 392 R N 1.578 122.289 120.500 0.351 0.000 2.096 392 R HA -0.209 4.130 4.340 -0.001 0.000 0.240 392 R C 1.794 178.254 176.300 0.267 0.000 1.139 392 R CA 2.006 58.342 56.100 0.394 0.000 0.952 392 R CB -0.308 30.260 30.300 0.447 0.000 0.854 392 R HN 0.332 nan 8.270 nan 0.000 0.436 393 N N -0.067 118.778 118.700 0.241 0.000 2.331 393 N HA -0.089 4.650 4.740 -0.001 0.000 0.180 393 N C 1.517 177.207 175.510 0.300 0.000 1.019 393 N CA 0.945 54.146 53.050 0.252 0.000 0.881 393 N CB -0.070 38.532 38.487 0.193 0.000 0.972 393 N HN 0.227 nan 8.380 nan 0.000 0.435 394 M N -0.177 119.554 119.600 0.219 0.000 2.419 394 M HA 0.071 4.550 4.480 -0.001 0.000 0.264 394 M C 1.767 178.147 176.300 0.135 0.000 1.082 394 M CA 0.358 55.758 55.300 0.168 0.000 1.119 394 M CB -0.482 32.175 32.600 0.096 0.000 1.398 394 M HN -0.113 nan 8.290 nan 0.000 0.453 395 V N -1.072 118.878 119.914 0.060 0.000 2.379 395 V HA -0.252 3.868 4.120 -0.001 0.000 0.245 395 V C 2.105 178.157 176.094 -0.070 0.000 1.044 395 V CA 1.424 63.642 62.300 -0.137 0.000 1.036 395 V CB -0.501 31.022 31.823 -0.500 0.000 0.664 395 V HN 0.590 nan 8.190 nan 0.000 0.453 396 W N -0.231 121.002 121.300 -0.111 0.000 2.388 396 W HA -0.209 4.450 4.660 -0.001 0.000 0.294 396 W C 2.447 178.874 176.519 -0.153 0.000 1.212 396 W CA 1.591 58.868 57.345 -0.113 0.000 1.271 396 W CB -0.429 29.007 29.460 -0.039 0.000 1.126 396 W HN 0.377 nan 8.180 nan 0.000 0.535 397 F N 1.568 121.501 119.950 -0.028 0.000 2.091 397 F HA -0.272 4.255 4.527 -0.001 0.000 0.299 397 F C 2.804 178.495 175.800 -0.182 0.000 1.103 397 F CA 2.767 60.673 58.000 -0.156 0.000 1.228 397 F CB -0.655 38.384 39.000 0.064 0.000 0.984 397 F HN -0.260 nan 8.300 nan 0.000 0.477 398 R N 0.545 121.174 120.500 0.215 0.000 2.105 398 R HA -0.198 4.141 4.340 -0.001 0.000 0.239 398 R C 1.995 178.215 176.300 -0.135 0.000 1.135 398 R CA 2.124 58.270 56.100 0.077 0.000 0.967 398 R CB -0.531 29.772 30.300 0.005 0.000 0.861 398 R HN 0.492 nan 8.270 nan 0.000 0.442 399 N N -0.670 117.865 118.700 -0.275 0.000 2.084 399 N HA -0.152 4.588 4.740 -0.001 0.000 0.190 399 N C 1.757 177.037 175.510 -0.383 0.000 1.030 399 N CA 1.371 54.194 53.050 -0.377 0.000 0.849 399 N CB 0.007 38.123 38.487 -0.618 0.000 1.012 399 N HN -0.003 nan 8.380 nan 0.000 0.423 400 V N 1.337 120.960 119.914 -0.486 0.000 2.332 400 V HA -0.163 3.956 4.120 -0.001 0.000 0.248 400 V C 2.101 178.016 176.094 -0.299 0.000 1.055 400 V CA 1.628 63.679 62.300 -0.415 0.000 1.038 400 V CB -0.490 31.010 31.823 -0.539 0.000 0.651 400 V HN 0.368 nan 8.190 nan 0.000 0.450 401 V N -1.876 117.847 119.914 -0.319 0.000 3.633 401 V HA 0.228 4.347 4.120 -0.001 0.000 0.283 401 V C 0.651 176.685 176.094 -0.100 0.000 1.305 401 V CA -0.149 62.025 62.300 -0.209 0.000 1.153 401 V CB -0.507 31.167 31.823 -0.248 0.000 0.950 401 V HN 0.464 nan 8.190 nan 0.000 0.432 402 D N 1.718 122.050 120.400 -0.113 0.000 2.586 402 D HA 0.352 4.991 4.640 -0.001 0.000 0.234 402 D C 1.489 177.761 176.300 -0.046 0.000 1.132 402 D CA 2.066 56.023 54.000 -0.071 0.000 0.860 402 D CB 0.346 41.088 40.800 -0.097 0.000 1.159 402 D HN 0.637 nan 8.370 nan 0.000 0.490 403 G N 3.158 111.947 108.800 -0.019 0.000 2.217 403 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.246 403 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.246 403 G C 0.197 175.101 174.900 0.008 0.000 0.990 403 G CA 0.026 45.121 45.100 -0.008 0.000 0.627 403 G HN 0.583 nan 8.290 nan 0.000 0.522 404 Q N 1.629 121.436 119.800 0.013 0.000 2.288 404 Q HA 0.409 4.748 4.340 -0.001 0.000 0.254 404 Q C -2.066 173.976 176.000 0.070 0.000 0.932 404 Q CA -1.388 54.435 55.803 0.033 0.000 0.902 404 Q CB 1.643 30.394 28.738 0.023 0.000 1.203 404 Q HN 0.423 nan 8.270 nan 0.000 0.415 405 P HA 0.111 nan 4.420 nan 0.000 0.276 405 P C -0.525 176.885 177.300 0.182 0.000 1.244 405 P CA -0.482 62.690 63.100 0.121 0.000 0.801 405 P CB 0.540 32.301 31.700 0.102 0.000 1.006 406 F N 1.683 121.652 119.950 0.032 0.000 2.578 406 F HA 0.335 4.861 4.527 -0.001 0.000 0.376 406 F C -0.044 175.836 175.800 0.133 0.000 1.085 406 F CA 0.593 58.619 58.000 0.042 0.000 1.260 406 F CB 0.128 39.065 39.000 -0.105 0.000 1.095 406 F HN 0.536 nan 8.300 nan 0.000 0.573 407 A N 4.114 126.785 122.820 -0.249 0.000 2.599 407 A HA 0.431 4.750 4.320 -0.001 0.000 0.290 407 A C -0.177 177.375 177.584 -0.052 0.000 1.101 407 A CA -0.670 51.300 52.037 -0.112 0.000 0.674 407 A CB 0.812 19.835 19.000 0.038 0.000 1.277 407 A HN 0.855 nan 8.150 nan 0.000 0.419 408 N N -0.093 118.648 118.700 0.069 0.000 2.714 408 N HA -0.155 4.584 4.740 -0.001 0.000 0.252 408 N C -0.370 175.306 175.510 0.278 0.000 1.014 408 N CA 1.326 54.486 53.050 0.183 0.000 0.735 408 N CB -0.738 37.870 38.487 0.201 0.000 0.924 408 N HN 0.677 nan 8.380 nan 0.000 0.540 409 W N 0.830 122.160 121.300 0.049 0.000 2.190 409 W HA 0.394 5.053 4.660 -0.001 0.000 0.330 409 W C -0.209 176.499 176.519 0.315 0.000 1.299 409 W CA -0.394 57.041 57.345 0.150 0.000 1.215 409 W CB 0.441 29.967 29.460 0.110 0.000 1.147 409 W HN 0.316 nan 8.180 nan 0.000 0.563 410 W N 7.550 128.418 121.300 -0.720 0.000 3.217 410 W HA 0.376 5.035 4.660 -0.001 0.000 0.323 410 W C -1.806 174.311 176.519 -0.670 0.000 1.216 410 W CA -0.668 56.428 57.345 -0.415 0.000 1.194 410 W CB 1.099 30.475 29.460 -0.141 0.000 1.397 410 W HN 0.485 nan 8.180 nan 0.000 0.537 411 D N 1.925 121.500 120.400 -1.376 0.000 2.655 411 D HA 0.227 4.867 4.640 -0.001 0.000 0.229 411 D C -0.269 175.221 176.300 -1.351 0.000 1.229 411 D CA -0.690 52.563 54.000 -1.245 0.000 0.807 411 D CB 1.295 41.928 40.800 -0.278 0.000 1.514 411 D HN 0.298 nan 8.370 nan 0.000 0.444 412 N N 0.953 119.085 118.700 -0.947 0.000 2.314 412 N HA 0.173 4.913 4.740 -0.001 0.000 0.200 412 N C 1.346 176.784 175.510 -0.120 0.000 1.135 412 N CA 0.320 53.131 53.050 -0.397 0.000 0.835 412 N CB 0.300 38.740 38.487 -0.079 0.000 0.989 412 N HN 1.051 nan 8.380 nan 0.000 0.478 413 G N -1.398 107.325 108.800 -0.128 0.000 2.179 413 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.260 413 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.260 413 G C 0.383 175.284 174.900 0.002 0.000 0.977 413 G CA 0.707 45.801 45.100 -0.010 0.000 0.641 413 G HN 0.661 nan 8.290 nan 0.000 0.533 414 S N -1.148 114.533 115.700 -0.033 0.000 3.576 414 S HA 0.402 4.871 4.470 -0.001 0.000 0.179 414 S C 0.882 175.383 174.600 -0.165 0.000 0.977 414 S CA 0.602 58.774 58.200 -0.046 0.000 1.189 414 S CB 0.218 63.496 63.200 0.129 0.000 1.443 414 S HN 0.210 nan 8.310 nan 0.000 0.874 415 N N 1.300 119.876 118.700 -0.208 0.000 2.238 415 N HA 0.286 5.026 4.740 -0.001 0.000 0.235 415 N C -1.130 174.253 175.510 -0.211 0.000 1.209 415 N CA 0.070 52.971 53.050 -0.247 0.000 0.879 415 N CB 1.069 39.383 38.487 -0.289 0.000 1.136 415 N HN 0.460 nan 8.380 nan 0.000 0.517 416 Q N 1.391 121.085 119.800 -0.177 0.000 2.348 416 Q HA 0.474 4.813 4.340 -0.001 0.000 0.265 416 Q C -0.380 175.529 176.000 -0.152 0.000 0.998 416 Q CA -0.575 55.191 55.803 -0.061 0.000 0.831 416 Q CB 2.573 31.358 28.738 0.079 0.000 1.251 416 Q HN 0.048 nan 8.270 nan 0.000 0.456 417 V N -1.216 118.688 119.914 -0.017 0.000 3.160 417 V HA 1.054 5.173 4.120 -0.001 0.000 0.310 417 V C -1.380 174.717 176.094 0.006 0.000 1.181 417 V CA -0.851 61.329 62.300 -0.199 0.000 1.047 417 V CB 1.988 33.621 31.823 -0.316 0.000 1.068 417 V HN 0.790 nan 8.190 nan 0.000 0.441 418 A N 1.782 124.452 122.820 -0.251 0.000 2.605 418 A HA 1.015 5.334 4.320 -0.001 0.000 0.294 418 A C -1.225 176.180 177.584 -0.298 0.000 1.062 418 A CA -0.144 51.700 52.037 -0.321 0.000 0.682 418 A CB 1.673 20.491 19.000 -0.303 0.000 1.278 418 A HN 2.466 nan 8.150 nan 0.000 0.410 419 F N -0.998 118.605 119.950 -0.578 0.000 2.744 419 F HA 0.833 5.360 4.527 -0.001 0.000 0.311 419 F C -0.066 175.548 175.800 -0.310 0.000 1.144 419 F CA -0.231 57.603 58.000 -0.276 0.000 0.938 419 F CB 0.722 39.718 39.000 -0.006 0.000 1.292 419 F HN 1.155 nan 8.300 nan 0.000 0.444 420 G N 0.578 109.524 108.800 0.242 0.000 2.788 420 G HA2 0.702 4.661 3.960 -0.001 0.000 0.293 420 G HA3 0.702 4.661 3.960 -0.001 0.000 0.293 420 G C -1.555 173.532 174.900 0.312 0.000 1.305 420 G CA -1.327 43.963 45.100 0.316 0.000 1.005 420 G HN 0.601 nan 8.290 nan 0.000 0.496 421 R N 0.227 120.871 120.500 0.241 0.000 2.415 421 R HA 0.477 4.816 4.340 -0.001 0.000 0.292 421 R C 0.828 177.188 176.300 0.099 0.000 1.295 421 R CA 0.031 56.245 56.100 0.190 0.000 1.137 421 R CB 0.355 30.764 30.300 0.181 0.000 1.135 421 R HN 1.298 nan 8.270 nan 0.000 0.560 422 G N 3.579 112.434 108.800 0.092 0.000 2.622 422 G HA2 -0.440 3.519 3.960 -0.001 0.000 0.307 422 G HA3 -0.440 3.519 3.960 -0.001 0.000 0.307 422 G C 0.355 175.278 174.900 0.040 0.000 1.226 422 G CA 0.736 45.869 45.100 0.055 0.000 0.997 422 G HN 0.643 nan 8.290 nan 0.000 0.551 423 N N 0.704 119.415 118.700 0.020 0.000 2.234 423 N HA 0.201 4.941 4.740 -0.001 0.000 0.227 423 N C 1.359 176.874 175.510 0.009 0.000 1.151 423 N CA 0.275 53.330 53.050 0.008 0.000 0.865 423 N CB 0.446 38.938 38.487 0.008 0.000 1.066 423 N HN 0.696 nan 8.380 nan 0.000 0.515 424 R N -0.916 119.582 120.500 -0.005 0.000 2.373 424 R HA 0.356 4.695 4.340 -0.001 0.000 0.221 424 R C 0.178 176.428 176.300 -0.082 0.000 0.893 424 R CA 0.322 56.406 56.100 -0.028 0.000 1.049 424 R CB 1.104 31.366 30.300 -0.063 0.000 1.119 424 R HN 0.220 nan 8.270 nan 0.000 0.535 425 G N 0.397 109.155 108.800 -0.071 0.000 2.673 425 G HA2 0.500 4.460 3.960 -0.001 0.000 0.292 425 G HA3 0.500 4.460 3.960 -0.001 0.000 0.292 425 G C -2.105 172.925 174.900 0.216 0.000 1.450 425 G CA -0.405 44.640 45.100 -0.092 0.000 0.837 425 G HN 0.007 nan 8.290 nan 0.000 0.505 426 F N 0.543 120.561 119.950 0.113 0.000 2.628 426 F HA 0.807 5.334 4.527 -0.001 0.000 0.309 426 F C -1.251 174.486 175.800 -0.106 0.000 1.108 426 F CA -1.058 56.919 58.000 -0.037 0.000 0.971 426 F CB 2.066 40.988 39.000 -0.129 0.000 1.279 426 F HN 0.525 nan 8.300 nan 0.000 0.441 427 I N 5.283 125.253 120.570 -1.001 0.000 2.686 427 I HA 0.727 4.896 4.170 -0.001 0.000 0.295 427 I C -1.826 173.572 176.117 -1.198 0.000 1.114 427 I CA -0.747 59.977 61.300 -0.961 0.000 1.038 427 I CB 1.981 39.416 38.000 -0.941 0.000 1.238 427 I HN 0.378 nan 8.210 nan 0.000 0.420 428 V N 6.994 126.317 119.914 -0.987 0.000 2.638 428 V HA 0.539 4.658 4.120 -0.001 0.000 0.306 428 V C -1.026 174.724 176.094 -0.574 0.000 1.052 428 V CA -0.503 61.351 62.300 -0.743 0.000 0.885 428 V CB 1.761 33.080 31.823 -0.841 0.000 0.999 428 V HN 0.471 nan 8.190 nan 0.000 0.424 429 F N 2.409 122.287 119.950 -0.120 0.000 2.532 429 F HA 0.594 5.120 4.527 -0.001 0.000 0.321 429 F C 0.158 175.939 175.800 -0.032 0.000 1.089 429 F CA -0.692 57.286 58.000 -0.037 0.000 0.926 429 F CB 1.995 40.945 39.000 -0.084 0.000 1.168 429 F HN 0.459 nan 8.300 nan 0.000 0.459 430 N N 1.749 120.545 118.700 0.159 0.000 2.623 430 N HA 0.191 4.930 4.740 -0.001 0.000 0.256 430 N C -0.918 174.571 175.510 -0.036 0.000 1.045 430 N CA -0.247 52.821 53.050 0.031 0.000 0.863 430 N CB 0.462 38.958 38.487 0.015 0.000 1.182 430 N HN 0.552 nan 8.380 nan 0.000 0.523 431 N N 1.917 120.544 118.700 -0.121 0.000 2.275 431 N HA 0.175 4.914 4.740 -0.001 0.000 0.236 431 N C -1.089 174.257 175.510 -0.273 0.000 1.154 431 N CA -0.162 52.787 53.050 -0.168 0.000 0.866 431 N CB 0.307 38.680 38.487 -0.190 0.000 1.093 431 N HN 0.495 nan 8.380 nan 0.000 0.515 432 D N -0.605 119.543 120.400 -0.420 0.000 2.332 432 D HA 0.173 4.812 4.640 -0.001 0.000 0.252 432 D C -0.290 175.682 176.300 -0.545 0.000 1.050 432 D CA -0.206 53.350 54.000 -0.740 0.000 0.970 432 D CB 1.047 40.909 40.800 -1.562 0.000 1.141 432 D HN 0.060 nan 8.370 nan 0.000 0.485 433 D N 0.999 121.143 120.400 -0.428 0.000 2.676 433 D HA 0.159 4.799 4.640 -0.001 0.000 0.239 433 D C -0.174 176.257 176.300 0.218 0.000 1.213 433 D CA -0.042 53.943 54.000 -0.025 0.000 0.835 433 D CB -0.169 40.702 40.800 0.118 0.000 1.009 433 D HN 0.301 nan 8.370 nan 0.000 0.479 434 W N -0.908 120.413 121.300 0.036 0.000 2.959 434 W HA 0.401 5.061 4.660 -0.001 0.000 0.358 434 W C -0.612 175.939 176.519 0.053 0.000 1.228 434 W CA -1.326 56.043 57.345 0.040 0.000 1.183 434 W CB 0.177 29.660 29.460 0.039 0.000 1.467 434 W HN -0.365 nan 8.180 nan 0.000 0.578 435 Q N 1.961 121.969 119.800 0.347 0.000 2.361 435 Q HA 0.331 4.670 4.340 -0.001 0.000 0.276 435 Q C -1.126 175.022 176.000 0.246 0.000 1.022 435 Q CA 0.039 55.976 55.803 0.223 0.000 0.898 435 Q CB 0.805 29.657 28.738 0.189 0.000 1.246 435 Q HN 0.669 nan 8.270 nan 0.000 0.410 436 L N 2.944 124.259 121.223 0.153 0.000 2.287 436 L HA 0.604 4.943 4.340 -0.001 0.000 0.287 436 L C -1.145 175.810 176.870 0.142 0.000 1.022 436 L CA -0.121 54.821 54.840 0.169 0.000 0.814 436 L CB 1.378 43.514 42.059 0.128 0.000 1.217 436 L HN 0.659 nan 8.230 nan 0.000 0.420 437 S N 3.209 118.995 115.700 0.144 0.000 2.423 437 S HA 0.624 5.093 4.470 -0.001 0.000 0.213 437 S C -1.339 173.298 174.600 0.062 0.000 1.131 437 S CA -0.366 57.889 58.200 0.092 0.000 1.155 437 S CB 0.773 64.024 63.200 0.086 0.000 1.202 437 S HN 0.694 nan 8.310 nan 0.000 0.441 438 S N 2.112 117.815 115.700 0.004 0.000 2.556 438 S HA 0.582 5.051 4.470 -0.001 0.000 0.271 438 S C -0.936 173.606 174.600 -0.095 0.000 1.135 438 S CA -0.761 57.386 58.200 -0.089 0.000 0.858 438 S CB 2.051 65.066 63.200 -0.309 0.000 1.114 438 S HN 0.540 nan 8.310 nan 0.000 0.468 439 T N 2.909 117.394 114.554 -0.115 0.000 2.753 439 T HA 0.572 4.921 4.350 -0.001 0.000 0.297 439 T C -0.503 174.103 174.700 -0.156 0.000 0.981 439 T CA -0.295 61.743 62.100 -0.104 0.000 0.956 439 T CB -0.218 68.600 68.868 -0.085 0.000 0.936 439 T HN 0.327 nan 8.240 nan 0.000 0.463 440 L N 2.399 123.554 121.223 -0.114 0.000 2.333 440 L HA 0.602 4.941 4.340 -0.001 0.000 0.269 440 L C 0.043 176.797 176.870 -0.194 0.000 1.010 440 L CA -1.427 53.301 54.840 -0.186 0.000 0.818 440 L CB 1.615 43.549 42.059 -0.207 0.000 1.306 440 L HN 0.356 nan 8.230 nan 0.000 0.430 441 Q N 0.698 120.375 119.800 -0.205 0.000 2.307 441 Q HA 0.136 4.475 4.340 -0.001 0.000 0.259 441 Q C 0.627 176.291 176.000 -0.560 0.000 0.998 441 Q CA 0.184 55.832 55.803 -0.257 0.000 0.923 441 Q CB 1.291 29.957 28.738 -0.120 0.000 1.196 441 Q HN 0.725 nan 8.270 nan 0.000 0.416 442 T N 0.399 114.497 114.554 -0.760 0.000 3.051 442 T HA 0.242 4.592 4.350 -0.001 0.000 0.255 442 T C 1.301 175.652 174.700 -0.581 0.000 1.085 442 T CA 0.451 61.747 62.100 -1.340 0.000 1.109 442 T CB -0.096 68.164 68.868 -1.014 0.000 0.921 442 T HN 1.014 nan 8.240 nan 0.000 0.488 443 G N 0.958 109.570 108.800 -0.313 0.000 2.184 443 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.264 443 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.264 443 G C -0.235 174.596 174.900 -0.115 0.000 0.975 443 G CA 0.271 45.287 45.100 -0.140 0.000 0.642 443 G HN 0.569 nan 8.290 nan 0.000 0.536 444 L N 0.880 121.995 121.223 -0.180 0.000 2.360 444 L HA 0.649 4.988 4.340 -0.001 0.000 0.271 444 L C -1.737 175.101 176.870 -0.055 0.000 1.057 444 L CA -2.315 52.450 54.840 -0.125 0.000 0.803 444 L CB 0.854 42.740 42.059 -0.287 0.000 1.207 444 L HN -0.158 nan 8.230 nan 0.000 0.445 445 P HA 0.154 nan 4.420 nan 0.000 0.269 445 P C -0.146 177.209 177.300 0.092 0.000 1.209 445 P CA -0.281 62.854 63.100 0.058 0.000 0.776 445 P CB 0.451 32.199 31.700 0.080 0.000 0.876 446 G N 1.015 109.824 108.800 0.015 0.000 2.491 446 G HA2 0.456 4.416 3.960 -0.001 0.000 0.238 446 G HA3 0.456 4.416 3.960 -0.001 0.000 0.238 446 G C 0.160 175.074 174.900 0.024 0.000 1.277 446 G CA 0.491 45.576 45.100 -0.024 0.000 0.851 446 G HN 0.790 nan 8.290 nan 0.000 0.573 447 G N -0.663 108.136 108.800 -0.000 0.000 2.359 447 G HA2 0.432 4.391 3.960 -0.001 0.000 0.293 447 G HA3 0.432 4.391 3.960 -0.001 0.000 0.293 447 G C -0.781 174.148 174.900 0.049 0.000 1.300 447 G CA -0.416 44.682 45.100 -0.004 0.000 0.888 447 G HN 0.825 nan 8.290 nan 0.000 0.541 448 T N 0.976 115.519 114.554 -0.018 0.000 2.749 448 T HA 0.634 4.984 4.350 -0.001 0.000 0.287 448 T C -1.088 173.546 174.700 -0.109 0.000 0.970 448 T CA 0.135 62.275 62.100 0.065 0.000 0.980 448 T CB 0.686 69.598 68.868 0.074 0.000 0.924 448 T HN 0.382 nan 8.240 nan 0.000 0.456 449 Y N 0.547 120.833 120.300 -0.024 0.000 2.429 449 Y HA 0.411 4.961 4.550 -0.001 0.000 0.342 449 Y C 0.495 176.367 175.900 -0.047 0.000 1.004 449 Y CA -1.146 56.928 58.100 -0.043 0.000 1.075 449 Y CB 1.098 39.533 38.460 -0.041 0.000 1.214 449 Y HN 0.568 nan 8.280 nan 0.000 0.455 450 c N 2.222 120.862 118.600 0.066 0.000 2.514 450 c HA 0.122 4.691 4.570 -0.001 0.000 0.392 450 c C 0.353 174.453 174.090 0.016 0.000 1.294 450 c CA -0.685 55.652 56.329 0.015 0.000 1.957 450 c CB -0.484 42.008 42.510 -0.029 0.000 2.541 450 c HN 0.742 nan 8.230 nan 0.000 0.569 451 D N 1.678 122.083 120.400 0.008 0.000 2.371 451 D HA 0.151 4.791 4.640 -0.001 0.000 0.256 451 D C 0.978 177.258 176.300 -0.033 0.000 1.193 451 D CA -0.263 53.733 54.000 -0.008 0.000 0.881 451 D CB 0.964 41.748 40.800 -0.027 0.000 1.143 451 D HN 0.446 nan 8.370 nan 0.000 0.473 452 V N 2.616 122.519 119.914 -0.018 0.000 3.573 452 V HA 0.027 4.146 4.120 -0.001 0.000 0.270 452 V C 1.428 177.502 176.094 -0.034 0.000 1.221 452 V CA 0.260 62.565 62.300 0.009 0.000 1.163 452 V CB -0.625 31.271 31.823 0.122 0.000 0.847 452 V HN 0.509 nan 8.190 nan 0.000 0.468 453 I N 2.140 122.625 120.570 -0.143 0.000 2.429 453 I HA -0.009 4.160 4.170 -0.001 0.000 0.247 453 I C 2.688 178.692 176.117 -0.189 0.000 1.099 453 I CA 1.933 63.068 61.300 -0.275 0.000 1.422 453 I CB -1.006 36.593 38.000 -0.668 0.000 1.112 453 I HN 0.597 nan 8.210 nan 0.000 0.430 454 S N -0.378 115.229 115.700 -0.155 0.000 2.501 454 S HA 0.324 4.793 4.470 -0.001 0.000 0.220 454 S C 1.022 175.586 174.600 -0.060 0.000 0.997 454 S CA 0.390 58.529 58.200 -0.102 0.000 0.919 454 S CB 0.176 63.323 63.200 -0.090 0.000 0.778 454 S HN 0.431 nan 8.310 nan 0.000 0.523 455 G N -0.224 108.546 108.800 -0.050 0.000 2.677 455 G HA2 0.532 4.492 3.960 -0.001 0.000 0.283 455 G HA3 0.532 4.492 3.960 -0.001 0.000 0.283 455 G C -2.283 172.602 174.900 -0.024 0.000 1.221 455 G CA -0.602 44.479 45.100 -0.031 0.000 0.851 455 G HN 0.226 nan 8.290 nan 0.000 0.504 456 D N -0.475 119.909 120.400 -0.028 0.000 2.570 456 D HA 0.308 4.947 4.640 -0.001 0.000 0.244 456 D C -1.072 175.201 176.300 -0.045 0.000 1.178 456 D CA -0.600 53.377 54.000 -0.037 0.000 0.881 456 D CB 2.876 43.650 40.800 -0.042 0.000 1.453 456 D HN 0.397 nan 8.370 nan 0.000 0.447 457 K N 1.266 121.631 120.400 -0.058 0.000 2.262 457 K HA 0.398 4.718 4.320 -0.001 0.000 0.282 457 K C -1.343 175.222 176.600 -0.057 0.000 1.066 457 K CA -0.352 55.900 56.287 -0.057 0.000 0.901 457 K CB 0.702 33.164 32.500 -0.063 0.000 1.089 457 K HN 0.101 nan 8.250 nan 0.000 0.476 458 V N 5.300 125.186 119.914 -0.047 0.000 2.349 458 V HA 0.381 4.500 4.120 -0.001 0.000 0.284 458 V C 0.833 176.905 176.094 -0.037 0.000 1.014 458 V CA 0.215 62.489 62.300 -0.042 0.000 0.826 458 V CB 0.362 32.164 31.823 -0.035 0.000 1.009 458 V HN 1.194 nan 8.190 nan 0.000 0.431 459 G N 5.381 114.160 108.800 -0.036 0.000 2.565 459 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.295 459 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.295 459 G C 0.550 175.430 174.900 -0.035 0.000 1.165 459 G CA 0.522 45.603 45.100 -0.031 0.000 0.977 459 G HN 1.044 nan 8.290 nan 0.000 0.546 460 N N 0.955 119.635 118.700 -0.033 0.000 2.321 460 N HA 0.416 5.156 4.740 -0.001 0.000 0.242 460 N C 0.191 175.677 175.510 -0.039 0.000 1.141 460 N CA 1.001 54.028 53.050 -0.038 0.000 0.864 460 N CB 1.035 39.502 38.487 -0.034 0.000 1.100 460 N HN 0.780 nan 8.380 nan 0.000 0.510 461 S N -0.582 115.095 115.700 -0.038 0.000 2.685 461 S HA 0.652 5.121 4.470 -0.001 0.000 0.282 461 S C -1.463 173.115 174.600 -0.037 0.000 1.159 461 S CA -0.435 57.743 58.200 -0.036 0.000 0.833 461 S CB 1.175 64.356 63.200 -0.031 0.000 1.151 461 S HN 0.307 nan 8.310 nan 0.000 0.485 462 c N 1.610 120.190 118.600 -0.033 0.000 2.456 462 c HA 0.580 5.149 4.570 -0.001 0.000 0.325 462 c C 1.937 176.010 174.090 -0.028 0.000 1.217 462 c CA -0.230 56.080 56.329 -0.031 0.000 1.687 462 c CB 0.752 43.247 42.510 -0.026 0.000 2.270 462 c HN 1.030 nan 8.230 nan 0.000 0.499 463 T N -0.757 113.780 114.554 -0.028 0.000 3.067 463 T HA 0.253 4.602 4.350 -0.001 0.000 0.257 463 T C 0.888 175.573 174.700 -0.026 0.000 1.105 463 T CA 0.878 62.963 62.100 -0.025 0.000 1.104 463 T CB 0.114 68.968 68.868 -0.023 0.000 0.925 463 T HN 0.867 nan 8.240 nan 0.000 0.498 464 G N 0.882 109.665 108.800 -0.028 0.000 3.234 464 G HA2 0.652 4.612 3.960 -0.001 0.000 0.159 464 G HA3 0.652 4.612 3.960 -0.001 0.000 0.159 464 G C -0.627 174.256 174.900 -0.028 0.000 1.175 464 G CA -1.253 43.829 45.100 -0.030 0.000 0.900 464 G HN 0.409 nan 8.290 nan 0.000 0.621 465 I N 1.202 121.754 120.570 -0.030 0.000 2.692 465 I HA 0.147 4.317 4.170 -0.001 0.000 0.284 465 I C 0.135 176.245 176.117 -0.013 0.000 1.159 465 I CA 0.512 61.798 61.300 -0.024 0.000 1.423 465 I CB 0.750 38.734 38.000 -0.025 0.000 1.380 465 I HN 0.143 nan 8.210 nan 0.000 0.580 466 K N 5.164 125.558 120.400 -0.010 0.000 2.221 466 K HA 0.614 4.933 4.320 -0.001 0.000 0.258 466 K C -1.268 175.335 176.600 0.004 0.000 0.944 466 K CA -0.770 55.522 56.287 0.007 0.000 0.823 466 K CB 2.487 34.990 32.500 0.005 0.000 1.113 466 K HN 0.265 nan 8.250 nan 0.000 0.431 467 V N 3.522 123.455 119.914 0.032 0.000 2.378 467 V HA 0.126 4.246 4.120 -0.001 0.000 0.288 467 V C -1.083 175.036 176.094 0.041 0.000 1.016 467 V CA -0.899 61.378 62.300 -0.038 0.000 0.840 467 V CB 0.619 32.400 31.823 -0.069 0.000 0.994 467 V HN 0.622 nan 8.190 nan 0.000 0.431 468 Y N 5.783 126.017 120.300 -0.110 0.000 2.425 468 Y HA 0.548 5.098 4.550 -0.001 0.000 0.347 468 Y C -0.176 175.669 175.900 -0.092 0.000 0.976 468 Y CA -0.588 57.473 58.100 -0.066 0.000 1.190 468 Y CB 1.186 39.599 38.460 -0.078 0.000 1.136 468 Y HN 0.409 nan 8.280 nan 0.000 0.517 469 V N 6.746 126.280 119.914 -0.633 0.000 2.383 469 V HA 0.220 4.340 4.120 -0.001 0.000 0.275 469 V C 0.462 176.075 176.094 -0.802 0.000 1.036 469 V CA -0.569 61.392 62.300 -0.565 0.000 0.889 469 V CB 1.113 32.791 31.823 -0.243 0.000 0.985 469 V HN 0.892 nan 8.190 nan 0.000 0.459 470 S N 3.534 118.870 115.700 -0.606 0.000 2.587 470 S HA 0.023 4.492 4.470 -0.001 0.000 0.260 470 S C 1.789 176.260 174.600 -0.214 0.000 1.353 470 S CA 0.576 58.547 58.200 -0.381 0.000 0.995 470 S CB 1.104 64.186 63.200 -0.197 0.000 0.912 470 S HN 0.911 nan 8.310 nan 0.000 0.568 471 S N 0.734 116.371 115.700 -0.104 0.000 2.399 471 S HA -0.146 4.324 4.470 -0.001 0.000 0.231 471 S C 1.289 175.851 174.600 -0.064 0.000 1.022 471 S CA 1.842 60.007 58.200 -0.058 0.000 0.983 471 S CB -0.747 62.442 63.200 -0.019 0.000 0.803 471 S HN 0.862 nan 8.310 nan 0.000 0.480 472 D N -0.690 119.665 120.400 -0.075 0.000 2.340 472 D HA 0.206 4.846 4.640 -0.001 0.000 0.220 472 D C 1.303 177.545 176.300 -0.098 0.000 1.039 472 D CA 0.884 54.842 54.000 -0.070 0.000 0.866 472 D CB -0.636 40.130 40.800 -0.056 0.000 0.913 472 D HN 0.512 nan 8.370 nan 0.000 0.523 473 G N 0.133 108.853 108.800 -0.133 0.000 2.175 473 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.244 473 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.244 473 G C 0.496 175.257 174.900 -0.232 0.000 0.982 473 G CA 0.497 45.492 45.100 -0.174 0.000 0.641 473 G HN 0.788 nan 8.290 nan 0.000 0.527 474 T N -1.464 112.967 114.554 -0.205 0.000 2.899 474 T HA 0.889 5.238 4.350 -0.001 0.000 0.284 474 T C 0.028 174.575 174.700 -0.254 0.000 1.004 474 T CA 0.577 62.551 62.100 -0.210 0.000 1.043 474 T CB 2.304 71.082 68.868 -0.149 0.000 1.013 474 T HN 1.982 nan 8.240 nan 0.000 0.518 475 A N 1.283 123.955 122.820 -0.248 0.000 2.589 475 A HA 0.593 4.912 4.320 -0.001 0.000 0.296 475 A C -0.773 176.563 177.584 -0.413 0.000 1.062 475 A CA -0.963 50.848 52.037 -0.377 0.000 0.686 475 A CB 1.598 20.275 19.000 -0.538 0.000 1.282 475 A HN 0.967 nan 8.150 nan 0.000 0.404 476 Q N 0.735 120.285 119.800 -0.418 0.000 2.261 476 Q HA 0.633 4.972 4.340 -0.001 0.000 0.252 476 Q C -1.844 173.830 176.000 -0.542 0.000 0.915 476 Q CA -0.094 55.524 55.803 -0.309 0.000 0.915 476 Q CB 0.539 29.179 28.738 -0.162 0.000 1.204 476 Q HN 0.526 nan 8.270 nan 0.000 0.421 477 F N 1.622 121.520 119.950 -0.086 0.000 2.460 477 F HA 0.296 4.823 4.527 -0.001 0.000 0.341 477 F C -0.039 175.732 175.800 -0.048 0.000 1.130 477 F CA -0.638 57.322 58.000 -0.066 0.000 0.962 477 F CB 2.276 41.230 39.000 -0.078 0.000 1.171 477 F HN 0.358 nan 8.300 nan 0.000 0.436 478 S N 5.593 121.353 115.700 0.099 0.000 2.594 478 S HA 0.730 5.200 4.470 -0.001 0.000 0.322 478 S C -0.875 173.770 174.600 0.075 0.000 1.085 478 S CA -0.351 57.892 58.200 0.073 0.000 1.116 478 S CB -0.029 63.190 63.200 0.032 0.000 0.979 478 S HN 0.518 nan 8.310 nan 0.000 0.465 479 I N 3.585 124.205 120.570 0.083 0.000 2.439 479 I HA 0.318 4.488 4.170 -0.001 0.000 0.285 479 I C 0.254 176.406 176.117 0.059 0.000 1.021 479 I CA -0.614 60.725 61.300 0.065 0.000 1.091 479 I CB 2.044 40.084 38.000 0.066 0.000 1.242 479 I HN 0.517 nan 8.210 nan 0.000 0.439 480 S N 4.488 120.218 115.700 0.049 0.000 2.580 480 S HA 0.113 4.583 4.470 -0.001 0.000 0.274 480 S C 1.386 176.008 174.600 0.037 0.000 1.329 480 S CA -0.640 57.590 58.200 0.050 0.000 1.036 480 S CB 0.613 63.840 63.200 0.045 0.000 0.919 480 S HN 0.766 nan 8.310 nan 0.000 0.515 481 N N 2.333 121.052 118.700 0.032 0.000 2.520 481 N HA -0.100 4.639 4.740 -0.001 0.000 0.185 481 N C 1.111 176.633 175.510 0.021 0.000 1.068 481 N CA 1.024 54.078 53.050 0.006 0.000 0.911 481 N CB -0.341 38.141 38.487 -0.009 0.000 0.961 481 N HN 0.541 nan 8.380 nan 0.000 0.446 482 S N -1.142 114.577 115.700 0.032 0.000 2.556 482 S HA 0.454 4.923 4.470 -0.001 0.000 0.216 482 S C 0.806 175.422 174.600 0.027 0.000 0.970 482 S CA -0.501 57.717 58.200 0.030 0.000 0.912 482 S CB -0.009 63.211 63.200 0.032 0.000 0.790 482 S HN 0.464 nan 8.310 nan 0.000 0.504 483 A N 1.769 124.606 122.820 0.029 0.000 2.462 483 A HA 0.295 4.614 4.320 -0.001 0.000 0.243 483 A C 1.162 178.765 177.584 0.031 0.000 1.076 483 A CA -0.250 51.802 52.037 0.025 0.000 0.773 483 A CB 0.083 19.099 19.000 0.027 0.000 1.010 483 A HN 0.515 nan 8.150 nan 0.000 0.493 484 E N 0.666 120.877 120.200 0.019 0.000 2.085 484 E HA -0.146 4.204 4.350 -0.001 0.000 0.194 484 E C -0.467 176.164 176.600 0.052 0.000 0.994 484 E CA 1.234 57.646 56.400 0.021 0.000 0.801 484 E CB 0.088 29.786 29.700 -0.003 0.000 0.743 484 E HN 0.655 nan 8.360 nan 0.000 0.453 485 D N 0.312 120.740 120.400 0.047 0.000 2.420 485 D HA 0.108 4.747 4.640 -0.001 0.000 0.255 485 D C -2.250 174.121 176.300 0.119 0.000 1.185 485 D CA -1.389 52.675 54.000 0.108 0.000 0.904 485 D CB 1.458 42.229 40.800 -0.049 0.000 1.102 485 D HN 0.028 nan 8.370 nan 0.000 0.534 486 P HA 0.079 nan 4.420 nan 0.000 0.261 486 P C -0.678 176.793 177.300 0.286 0.000 1.650 486 P CA -0.126 63.086 63.100 0.187 0.000 0.846 486 P CB -0.958 30.821 31.700 0.132 0.000 1.758 487 F N -1.555 118.347 119.950 -0.080 0.000 2.641 487 F HA 0.663 5.189 4.527 -0.001 0.000 0.308 487 F C -1.565 174.085 175.800 -0.249 0.000 1.105 487 F CA -1.682 56.163 58.000 -0.258 0.000 0.964 487 F CB 1.154 39.875 39.000 -0.465 0.000 1.294 487 F HN -0.336 nan 8.300 nan 0.000 0.442 488 I N 2.630 123.022 120.570 -0.295 0.000 2.509 488 I HA 0.799 4.969 4.170 -0.001 0.000 0.293 488 I C -0.781 175.170 176.117 -0.277 0.000 1.020 488 I CA -1.146 60.004 61.300 -0.250 0.000 1.088 488 I CB 2.138 40.139 38.000 0.002 0.000 1.267 488 I HN 0.966 nan 8.210 nan 0.000 0.430 489 A N 7.477 130.190 122.820 -0.179 0.000 2.398 489 A HA 0.891 5.211 4.320 -0.001 0.000 0.301 489 A C -0.916 176.739 177.584 0.117 0.000 1.041 489 A CA -0.479 51.513 52.037 -0.076 0.000 0.711 489 A CB 1.365 20.265 19.000 -0.165 0.000 1.240 489 A HN 0.708 nan 8.150 nan 0.000 0.420 490 I N 0.035 120.741 120.570 0.226 0.000 2.730 490 I HA 0.929 5.098 4.170 -0.001 0.000 0.298 490 I C -0.680 175.546 176.117 0.182 0.000 1.089 490 I CA -0.942 60.441 61.300 0.138 0.000 1.041 490 I CB 2.397 40.419 38.000 0.037 0.000 1.235 490 I HN 0.947 nan 8.210 nan 0.000 0.423 491 H N 2.722 121.899 119.070 0.177 0.000 2.966 491 H HA 0.748 5.303 4.556 -0.001 0.000 0.330 491 H C 0.428 175.883 175.328 0.212 0.000 1.292 491 H CA -0.366 55.700 56.048 0.030 0.000 1.127 491 H CB 1.202 30.827 29.762 -0.229 0.000 1.863 491 H HN 0.653 nan 8.280 nan 0.000 0.543 492 A N 0.142 123.165 122.820 0.338 0.000 1.948 492 A HA -0.217 4.102 4.320 -0.001 0.000 0.220 492 A C 1.493 179.232 177.584 0.259 0.000 1.177 492 A CA 2.044 54.252 52.037 0.285 0.000 0.636 492 A CB -0.883 18.208 19.000 0.153 0.000 0.815 492 A HN 0.815 nan 8.150 nan 0.000 0.449 493 E N -0.193 120.285 120.200 0.464 0.000 2.489 493 E HA -0.008 4.342 4.350 -0.001 0.000 0.193 493 E C 1.437 178.140 176.600 0.172 0.000 1.057 493 E CA 0.584 57.200 56.400 0.360 0.000 0.866 493 E CB 0.020 30.025 29.700 0.507 0.000 0.916 493 E HN 0.753 nan 8.360 nan 0.000 0.500 494 S N 0.238 115.896 115.700 -0.070 0.000 2.540 494 S HA 0.096 4.565 4.470 -0.001 0.000 0.218 494 S C 0.608 175.141 174.600 -0.111 0.000 0.977 494 S CA -0.443 57.656 58.200 -0.169 0.000 0.918 494 S CB 0.117 63.087 63.200 -0.385 0.000 0.806 494 S HN -0.031 nan 8.310 nan 0.000 0.496 495 K N 1.353 121.647 120.400 -0.177 0.000 2.322 495 K HA 0.285 4.604 4.320 -0.001 0.000 0.283 495 K C -0.396 176.037 176.600 -0.279 0.000 1.042 495 K CA -0.619 55.372 56.287 -0.494 0.000 0.958 495 K CB 0.349 32.415 32.500 -0.723 0.000 0.984 495 K HN 0.124 nan 8.250 nan 0.000 0.473 496 L N 0.000 121.064 121.223 -0.264 0.000 2.949 496 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 496 L CA 0.000 54.749 54.840 -0.151 0.000 0.813 496 L CB 0.000 41.993 42.059 -0.110 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502