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 2fnz_1_A DATA FIRST_RESID 17 DATA SEQUENCE MIERRKIAVI GSGQIGGXNI AYIVGKDNLA DXVVLFDIAE GIPQGKALDI DATA SEQUENCE THSMVMGSTS KVIGTXNDYA DISGSDVVII TASIXXRXKD XDRSELLFGN DATA SEQUENCE ARILDSVAEG VKKYCNAFVI CITNPLDVMV SHFQKVSGLP HNKVCGMAGV DATA SEQUENCE LDSSRFRTFI AQHFGVNASD VSANVIGGHG DGMVPATSSV SVPSSFIKQG DATA SEQUENCE XLITQEQXID EIVCHTRIAW KEVDNLTGTA YFAPAAAAVK MAEAYLKDKK DATA SEQUENCE AVVPCSAFCS NHYGVKGXIY MGVPTIIGKN GVEXDILELD LTPLEQKLLG DATA SEQUENCE ESINEVNTIS KVLDNAP 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 17 M HA 0.000 nan 4.480 nan 0.000 0.227 17 M C 0.000 176.304 176.300 0.006 0.000 1.140 17 M CA 0.000 55.303 55.300 0.006 0.000 0.988 17 M CB 0.000 32.604 32.600 0.007 0.000 1.302 18 I N -0.160 120.413 120.570 0.005 0.000 2.710 18 I HA 0.453 4.624 4.170 0.001 0.000 0.286 18 I C -0.345 175.778 176.117 0.010 0.000 1.181 18 I CA 0.469 61.773 61.300 0.006 0.000 1.430 18 I CB 0.463 38.465 38.000 0.003 0.000 1.367 18 I HN 0.498 nan 8.210 nan 0.000 0.577 19 E N 5.517 125.725 120.200 0.013 0.000 2.238 19 E HA 0.449 4.799 4.350 0.001 0.000 0.267 19 E C -0.753 175.859 176.600 0.020 0.000 0.887 19 E CA -0.989 55.422 56.400 0.018 0.000 0.769 19 E CB 2.155 31.869 29.700 0.022 0.000 1.187 19 E HN 0.611 nan 8.360 nan 0.000 0.416 20 R N 1.277 121.791 120.500 0.022 0.000 2.756 20 R HA 0.118 4.459 4.340 0.001 0.000 0.264 20 R C 0.358 176.678 176.300 0.033 0.000 1.026 20 R CA -0.225 55.891 56.100 0.025 0.000 1.121 20 R CB 0.430 30.746 30.300 0.026 0.000 0.999 20 R HN 0.094 nan 8.270 nan 0.000 0.449 21 R N 2.135 122.657 120.500 0.036 0.000 2.441 21 R HA 0.174 4.515 4.340 0.001 0.000 0.284 21 R C -0.044 176.291 176.300 0.058 0.000 1.070 21 R CA -0.191 55.939 56.100 0.050 0.000 1.047 21 R CB 0.563 30.893 30.300 0.050 0.000 1.016 21 R HN 0.521 nan 8.270 nan 0.000 0.477 22 K N 3.076 123.519 120.400 0.072 0.000 2.426 22 K HA 0.442 4.762 4.320 0.001 0.000 0.254 22 K C -0.949 175.700 176.600 0.083 0.000 0.936 22 K CA -0.444 55.885 56.287 0.070 0.000 0.801 22 K CB 1.100 33.639 32.500 0.064 0.000 1.139 22 K HN 0.496 nan 8.250 nan 0.000 0.424 23 I N 3.224 123.838 120.570 0.073 0.000 2.406 23 I HA 0.382 4.553 4.170 0.001 0.000 0.290 23 I C -0.485 175.666 176.117 0.058 0.000 0.999 23 I CA -0.935 60.407 61.300 0.071 0.000 1.124 23 I CB 2.009 40.051 38.000 0.070 0.000 1.289 23 I HN 0.696 nan 8.210 nan 0.000 0.441 24 A N 6.712 129.562 122.820 0.050 0.000 2.258 24 A HA 0.641 4.962 4.320 0.001 0.000 0.316 24 A C -0.538 177.067 177.584 0.035 0.000 1.279 24 A CA -0.454 51.614 52.037 0.052 0.000 0.876 24 A CB 0.828 19.863 19.000 0.060 0.000 1.170 24 A HN 0.456 nan 8.150 nan 0.000 0.520 25 V N 5.130 125.074 119.914 0.050 0.000 2.334 25 V HA 0.160 4.281 4.120 0.001 0.000 0.267 25 V C -0.240 175.896 176.094 0.070 0.000 1.040 25 V CA -0.422 61.902 62.300 0.039 0.000 0.866 25 V CB 0.571 32.419 31.823 0.041 0.000 1.019 25 V HN 0.660 nan 8.190 nan 0.000 0.468 26 I N 4.669 125.259 120.570 0.034 0.000 2.308 26 I HA 0.574 4.744 4.170 0.001 0.000 0.293 26 I C 0.915 177.086 176.117 0.090 0.000 1.078 26 I CA 0.114 61.448 61.300 0.057 0.000 1.292 26 I CB -0.057 37.915 38.000 -0.047 0.000 1.423 26 I HN 0.848 nan 8.210 nan 0.000 0.493 27 G N 4.278 113.176 108.800 0.163 0.000 3.445 27 G HA2 -0.109 3.851 3.960 0.001 0.000 0.686 27 G HA3 -0.109 3.851 3.960 0.001 0.000 0.686 27 G C -0.158 174.767 174.900 0.042 0.000 1.113 27 G CA -0.814 44.342 45.100 0.093 0.000 0.974 27 G HN 0.526 nan 8.290 nan 0.000 0.492 28 S N 1.660 117.368 115.700 0.013 0.000 2.489 28 S HA 0.554 5.024 4.470 0.001 0.000 0.237 28 S C 1.434 176.003 174.600 -0.050 0.000 1.220 28 S CA 0.237 58.425 58.200 -0.019 0.000 1.231 28 S CB 0.691 63.870 63.200 -0.035 0.000 0.900 28 S HN 1.298 nan 8.310 nan 0.000 0.492 29 G N 1.201 109.969 108.800 -0.054 0.000 2.735 29 G HA2 0.121 4.082 3.960 0.001 0.000 0.192 29 G HA3 0.121 4.082 3.960 0.001 0.000 0.192 29 G C 0.886 175.700 174.900 -0.144 0.000 1.547 29 G CA -0.046 44.996 45.100 -0.096 0.000 1.080 29 G HN 0.251 nan 8.290 nan 0.000 0.569 30 Q N -0.608 119.054 119.800 -0.230 0.000 2.002 30 Q HA -0.087 4.253 4.340 0.001 0.000 0.204 30 Q C 2.736 178.646 176.000 -0.150 0.000 0.988 30 Q CA 1.365 56.931 55.803 -0.395 0.000 0.843 30 Q CB -0.570 27.724 28.738 -0.741 0.000 0.908 30 Q HN 0.607 nan 8.270 nan 0.000 0.420 31 I N 0.207 120.748 120.570 -0.049 0.000 2.163 31 I HA -0.183 3.987 4.170 0.001 0.000 0.240 31 I C 2.442 178.572 176.117 0.022 0.000 1.081 31 I CA 1.206 62.525 61.300 0.031 0.000 1.353 31 I CB -0.930 37.090 38.000 0.033 0.000 1.054 31 I HN 0.241 nan 8.210 nan 0.000 0.407 32 G N 0.782 109.581 108.800 -0.001 0.000 2.513 32 G HA2 -0.177 3.784 3.960 0.001 0.000 0.219 32 G HA3 -0.177 3.784 3.960 0.001 0.000 0.219 32 G C 1.098 176.009 174.900 0.018 0.000 1.160 32 G CA 0.853 45.959 45.100 0.009 0.000 0.767 32 G HN 0.512 nan 8.290 nan 0.000 0.571 36 I N 1.667 122.310 120.570 0.121 0.000 2.179 36 I HA -0.161 4.010 4.170 0.001 0.000 0.242 36 I C 2.427 178.608 176.117 0.107 0.000 1.088 36 I CA 1.661 63.020 61.300 0.098 0.000 1.357 36 I CB -0.245 37.792 38.000 0.061 0.000 1.051 36 I HN 0.127 nan 8.210 nan 0.000 0.409 37 A N 0.345 123.229 122.820 0.106 0.000 1.883 37 A HA -0.294 4.027 4.320 0.001 0.000 0.217 37 A C 2.326 180.009 177.584 0.165 0.000 1.186 37 A CA 1.665 53.765 52.037 0.106 0.000 0.624 37 A CB -1.131 17.917 19.000 0.079 0.000 0.822 37 A HN 0.484 nan 8.150 nan 0.000 0.444 38 Y N 0.137 120.459 120.300 0.037 0.000 2.081 38 Y HA -0.227 4.323 4.550 0.001 0.000 0.280 38 Y C 2.030 177.959 175.900 0.049 0.000 1.163 38 Y CA 1.743 59.870 58.100 0.045 0.000 1.135 38 Y CB -0.513 37.986 38.460 0.065 0.000 0.970 38 Y HN 0.242 nan 8.280 nan 0.000 0.498 39 I N -0.990 119.645 120.570 0.108 0.000 2.252 39 I HA -0.220 3.951 4.170 0.001 0.000 0.245 39 I C 2.504 178.621 176.117 -0.001 0.000 1.102 39 I CA 1.004 62.294 61.300 -0.016 0.000 1.385 39 I CB -1.083 36.941 38.000 0.041 0.000 1.064 39 I HN 0.039 nan 8.210 nan 0.000 0.414 40 V N 0.704 120.643 119.914 0.043 0.000 2.392 40 V HA -0.234 3.886 4.120 0.001 0.000 0.249 40 V C 2.488 178.599 176.094 0.027 0.000 1.059 40 V CA 2.023 64.347 62.300 0.039 0.000 1.051 40 V CB -1.528 30.328 31.823 0.054 0.000 0.658 40 V HN 0.556 nan 8.190 nan 0.000 0.455 41 G N -0.513 108.307 108.800 0.035 0.000 2.434 41 G HA2 -0.295 3.666 3.960 0.001 0.000 0.214 41 G HA3 -0.295 3.666 3.960 0.001 0.000 0.214 41 G C 1.598 176.492 174.900 -0.009 0.000 1.202 41 G CA 1.008 46.125 45.100 0.029 0.000 0.788 41 G HN 0.471 nan 8.290 nan 0.000 0.539 42 K N 0.225 120.585 120.400 -0.067 0.000 2.059 42 K HA -0.191 4.129 4.320 0.001 0.000 0.212 42 K C 1.864 178.430 176.600 -0.057 0.000 1.050 42 K CA 1.927 58.152 56.287 -0.103 0.000 0.927 42 K CB -0.213 32.159 32.500 -0.214 0.000 0.714 42 K HN 0.131 nan 8.250 nan 0.000 0.447 43 D N 0.362 120.736 120.400 -0.043 0.000 2.348 43 D HA -0.122 4.518 4.640 0.001 0.000 0.216 43 D C 0.252 176.548 176.300 -0.006 0.000 0.970 43 D CA 0.700 54.687 54.000 -0.022 0.000 0.889 43 D CB -0.469 40.325 40.800 -0.011 0.000 0.912 43 D HN 0.382 nan 8.370 nan 0.000 0.524 44 N N -0.390 118.310 118.700 -0.000 0.000 2.740 44 N HA -0.219 4.522 4.740 0.001 0.000 0.248 44 N C 0.621 176.140 175.510 0.015 0.000 1.062 44 N CA 0.125 53.181 53.050 0.009 0.000 0.704 44 N CB -1.250 37.241 38.487 0.006 0.000 0.968 44 N HN 0.178 nan 8.380 nan 0.000 0.547 45 L N -1.172 120.064 121.223 0.020 0.000 2.240 45 L HA 0.516 4.857 4.340 0.001 0.000 0.211 45 L C 0.933 177.824 176.870 0.036 0.000 1.106 45 L CA 1.923 56.779 54.840 0.028 0.000 0.793 45 L CB -0.240 41.840 42.059 0.036 0.000 0.927 45 L HN 0.498 nan 8.230 nan 0.000 0.446 46 A N -2.353 120.490 122.820 0.039 0.000 2.456 46 A HA 0.462 4.783 4.320 0.001 0.000 0.294 46 A C -1.372 176.238 177.584 0.042 0.000 1.057 46 A CA -0.708 51.355 52.037 0.044 0.000 0.623 46 A CB -0.175 18.860 19.000 0.059 0.000 1.338 46 A HN -0.008 nan 8.150 nan 0.000 0.464 50 V N 4.441 124.383 119.914 0.046 0.000 2.385 50 V HA 0.412 4.532 4.120 0.001 0.000 0.277 50 V C -0.184 175.947 176.094 0.061 0.000 1.012 50 V CA -0.302 62.026 62.300 0.047 0.000 0.832 50 V CB 1.450 33.308 31.823 0.057 0.000 1.028 50 V HN 0.676 nan 8.190 nan 0.000 0.436 51 L N 5.102 126.347 121.223 0.036 0.000 2.418 51 L HA 0.367 4.708 4.340 0.001 0.000 0.274 51 L C -0.323 176.572 176.870 0.043 0.000 1.135 51 L CA 0.326 55.188 54.840 0.036 0.000 0.870 51 L CB 0.429 42.485 42.059 -0.005 0.000 1.154 51 L HN 0.548 nan 8.230 nan 0.000 0.462 52 F N 4.097 124.000 119.950 -0.078 0.000 2.507 52 F HA 0.602 5.129 4.527 0.001 0.000 0.327 52 F C -0.292 175.435 175.800 -0.121 0.000 1.068 52 F CA -0.283 57.638 58.000 -0.130 0.000 0.965 52 F CB 1.445 40.341 39.000 -0.173 0.000 1.192 52 F HN 0.417 nan 8.300 nan 0.000 0.476 53 D N 4.025 124.001 120.400 -0.707 0.000 2.820 53 D HA 0.052 4.693 4.640 0.001 0.000 0.244 53 D C -0.010 175.999 176.300 -0.486 0.000 1.106 53 D CA -0.264 53.549 54.000 -0.312 0.000 0.741 53 D CB 1.269 41.983 40.800 -0.144 0.000 2.042 53 D HN 0.542 nan 8.370 nan 0.000 0.459 54 I N 0.139 120.581 120.570 -0.214 0.000 3.251 54 I HA 0.300 4.470 4.170 0.001 0.000 0.277 54 I C 0.714 176.754 176.117 -0.128 0.000 1.268 54 I CA 0.553 61.751 61.300 -0.169 0.000 1.449 54 I CB -1.421 36.568 38.000 -0.019 0.000 1.083 54 I HN 0.321 nan 8.210 nan 0.000 0.464 55 A N 1.951 124.705 122.820 -0.110 0.000 2.477 55 A HA 0.220 4.541 4.320 0.001 0.000 0.246 55 A C -0.099 177.422 177.584 -0.106 0.000 1.078 55 A CA -0.164 51.822 52.037 -0.086 0.000 0.770 55 A CB -0.277 18.681 19.000 -0.071 0.000 1.011 55 A HN 0.448 nan 8.150 nan 0.000 0.494 56 E N 1.162 121.312 120.200 -0.083 0.000 2.299 56 E HA 0.430 4.781 4.350 0.001 0.000 0.272 56 E C 1.233 177.786 176.600 -0.079 0.000 1.043 56 E CA 1.177 57.527 56.400 -0.083 0.000 0.895 56 E CB 0.413 30.076 29.700 -0.061 0.000 1.011 56 E HN 1.224 nan 8.360 nan 0.000 0.432 57 G N 3.557 112.304 108.800 -0.089 0.000 2.396 57 G HA2 -0.358 3.602 3.960 0.001 0.000 0.242 57 G HA3 -0.358 3.602 3.960 0.001 0.000 0.242 57 G C 1.141 175.992 174.900 -0.083 0.000 1.069 57 G CA 0.270 45.323 45.100 -0.079 0.000 0.633 57 G HN 0.449 nan 8.290 nan 0.000 0.517 58 I N 2.918 123.437 120.570 -0.086 0.000 2.068 58 I HA -0.153 4.018 4.170 0.001 0.000 0.238 58 I C 1.018 177.081 176.117 -0.090 0.000 1.046 58 I CA 2.540 63.789 61.300 -0.085 0.000 1.306 58 I CB -2.516 35.434 38.000 -0.083 0.000 1.023 58 I HN 0.305 nan 8.210 nan 0.000 0.399 59 P HA -0.184 nan 4.420 nan 0.000 0.215 59 P C 1.621 178.867 177.300 -0.091 0.000 1.153 59 P CA 1.706 64.747 63.100 -0.098 0.000 0.853 59 P CB -0.051 31.571 31.700 -0.130 0.000 0.788 60 Q N 0.114 119.855 119.800 -0.098 0.000 2.061 60 Q HA -0.076 4.265 4.340 0.001 0.000 0.204 60 Q C 2.652 178.602 176.000 -0.083 0.000 0.984 60 Q CA 2.255 58.007 55.803 -0.086 0.000 0.846 60 Q CB -1.569 27.120 28.738 -0.082 0.000 0.902 60 Q HN 0.320 nan 8.270 nan 0.000 0.421 61 G N 0.497 109.249 108.800 -0.081 0.000 2.422 61 G HA2 -0.265 3.695 3.960 0.001 0.000 0.218 61 G HA3 -0.265 3.695 3.960 0.001 0.000 0.218 61 G C 1.250 176.091 174.900 -0.098 0.000 1.146 61 G CA 0.782 45.834 45.100 -0.081 0.000 0.769 61 G HN 0.222 nan 8.290 nan 0.000 0.547 62 K N 0.388 120.732 120.400 -0.093 0.000 2.031 62 K HA 0.134 4.454 4.320 0.001 0.000 0.205 62 K C 3.006 179.547 176.600 -0.098 0.000 1.049 62 K CA 0.812 57.040 56.287 -0.098 0.000 0.939 62 K CB -0.222 32.227 32.500 -0.085 0.000 0.717 62 K HN 0.235 nan 8.250 nan 0.000 0.438 63 A N 1.723 124.493 122.820 -0.083 0.000 1.873 63 A HA -0.202 4.118 4.320 0.001 0.000 0.218 63 A C 2.145 179.659 177.584 -0.118 0.000 1.193 63 A CA 1.523 53.517 52.037 -0.072 0.000 0.629 63 A CB -0.871 18.095 19.000 -0.058 0.000 0.826 63 A HN 0.180 nan 8.150 nan 0.000 0.447 64 L N -0.721 120.403 121.223 -0.166 0.000 2.042 64 L HA -0.215 4.126 4.340 0.001 0.000 0.210 64 L C 2.511 179.037 176.870 -0.574 0.000 1.076 64 L CA 1.738 56.392 54.840 -0.309 0.000 0.749 64 L CB -0.677 41.231 42.059 -0.251 0.000 0.893 64 L HN 0.443 nan 8.230 nan 0.000 0.432 65 D N 0.522 120.701 120.400 -0.368 0.000 2.104 65 D HA -0.200 4.441 4.640 0.001 0.000 0.194 65 D C 2.158 178.361 176.300 -0.162 0.000 0.994 65 D CA 1.312 55.142 54.000 -0.284 0.000 0.830 65 D CB 0.065 40.777 40.800 -0.146 0.000 0.959 65 D HN 0.087 nan 8.370 nan 0.000 0.452 66 I N 0.790 121.301 120.570 -0.099 0.000 2.208 66 I HA -0.222 3.949 4.170 0.001 0.000 0.245 66 I C 2.283 178.432 176.117 0.053 0.000 1.097 66 I CA 1.165 62.487 61.300 0.037 0.000 1.363 66 I CB -1.601 36.437 38.000 0.062 0.000 1.051 66 I HN 0.109 nan 8.210 nan 0.000 0.413 67 T N -0.240 114.294 114.554 -0.033 0.000 2.708 67 T HA -0.205 4.146 4.350 0.001 0.000 0.266 67 T C 1.801 176.569 174.700 0.114 0.000 1.037 67 T CA 1.525 63.635 62.100 0.016 0.000 1.146 67 T CB -0.607 68.247 68.868 -0.023 0.000 0.865 67 T HN 0.492 nan 8.240 nan 0.000 0.435 68 H N 1.037 120.133 119.070 0.043 0.000 2.387 68 H HA -0.074 4.483 4.556 0.001 0.000 0.299 68 H C 2.684 178.045 175.328 0.056 0.000 1.099 68 H CA 1.225 57.297 56.048 0.040 0.000 1.315 68 H CB -0.026 29.755 29.762 0.031 0.000 1.380 68 H HN 0.437 nan 8.280 nan 0.000 0.513 69 S N 0.312 116.134 115.700 0.203 0.000 2.461 69 S HA -0.095 4.376 4.470 0.001 0.000 0.228 69 S C 2.065 176.738 174.600 0.123 0.000 1.005 69 S CA 0.359 58.663 58.200 0.175 0.000 0.942 69 S CB -0.014 63.343 63.200 0.261 0.000 0.776 69 S HN 0.193 nan 8.310 nan 0.000 0.514 70 M N 1.596 121.262 119.600 0.109 0.000 2.082 70 M HA -0.055 4.426 4.480 0.001 0.000 0.258 70 M C 2.386 178.717 176.300 0.053 0.000 1.069 70 M CA 1.382 56.724 55.300 0.070 0.000 1.102 70 M CB -1.714 30.924 32.600 0.065 0.000 1.336 70 M HN 0.417 nan 8.290 nan 0.000 0.404 71 V N 0.839 120.788 119.914 0.058 0.000 2.469 71 V HA -0.221 3.899 4.120 0.001 0.000 0.251 71 V C 2.007 178.122 176.094 0.035 0.000 1.064 71 V CA 1.369 63.694 62.300 0.041 0.000 1.066 71 V CB -0.342 31.505 31.823 0.040 0.000 0.667 71 V HN 0.475 nan 8.190 nan 0.000 0.461 72 M N 0.321 119.949 119.600 0.046 0.000 2.826 72 M HA 0.072 4.553 4.480 0.001 0.000 0.217 72 M C 1.092 177.405 176.300 0.022 0.000 1.049 72 M CA 1.063 56.386 55.300 0.038 0.000 1.052 72 M CB -0.516 32.117 32.600 0.056 0.000 1.709 72 M HN 0.501 nan 8.290 nan 0.000 0.529 73 G N -1.248 107.558 108.800 0.009 0.000 4.802 73 G HA2 0.080 4.041 3.960 0.001 0.000 0.238 73 G HA3 0.080 4.041 3.960 0.001 0.000 0.238 73 G C -0.354 174.551 174.900 0.008 0.000 0.974 73 G CA -0.351 44.754 45.100 0.008 0.000 0.798 73 G HN 0.292 nan 8.290 nan 0.000 0.301 74 S N 0.466 116.172 115.700 0.011 0.000 2.541 74 S HA 0.534 5.005 4.470 0.001 0.000 0.283 74 S C 1.270 175.882 174.600 0.020 0.000 1.196 74 S CA 0.459 58.667 58.200 0.013 0.000 1.062 74 S CB 1.202 64.408 63.200 0.010 0.000 1.009 74 S HN 0.469 nan 8.310 nan 0.000 0.502 75 T N 0.743 115.309 114.554 0.019 0.000 3.215 75 T HA 0.319 4.670 4.350 0.001 0.000 0.271 75 T C 0.193 174.907 174.700 0.024 0.000 1.012 75 T CA -0.487 61.626 62.100 0.022 0.000 0.899 75 T CB -0.120 68.758 68.868 0.018 0.000 1.089 75 T HN 0.324 nan 8.240 nan 0.000 0.552 76 S N 2.256 117.971 115.700 0.026 0.000 2.549 76 S HA 0.304 4.774 4.470 0.001 0.000 0.279 76 S C 0.025 174.644 174.600 0.032 0.000 1.321 76 S CA -0.593 57.624 58.200 0.029 0.000 1.054 76 S CB 0.951 64.169 63.200 0.031 0.000 0.899 76 S HN 0.503 nan 8.310 nan 0.000 0.497 77 K N 2.725 123.143 120.400 0.030 0.000 2.213 77 K HA 0.472 4.793 4.320 0.001 0.000 0.270 77 K C -1.489 175.127 176.600 0.027 0.000 1.002 77 K CA -0.484 55.820 56.287 0.027 0.000 0.868 77 K CB 0.663 33.178 32.500 0.023 0.000 1.093 77 K HN 0.382 nan 8.250 nan 0.000 0.454 78 V N 6.963 126.890 119.914 0.023 0.000 2.407 78 V HA 0.388 4.509 4.120 0.001 0.000 0.291 78 V C 0.014 176.109 176.094 0.001 0.000 1.018 78 V CA -0.853 61.459 62.300 0.019 0.000 0.842 78 V CB 0.855 32.694 31.823 0.026 0.000 0.996 78 V HN 0.736 nan 8.190 nan 0.000 0.426 79 I N 1.443 122.013 120.570 -0.001 0.000 2.797 79 I HA 1.031 5.201 4.170 0.001 0.000 0.307 79 I C 0.227 176.328 176.117 -0.027 0.000 1.033 79 I CA -0.751 60.539 61.300 -0.016 0.000 1.071 79 I CB 2.506 40.498 38.000 -0.012 0.000 1.255 79 I HN 0.619 nan 8.210 nan 0.000 0.445 80 G N 1.766 110.537 108.800 -0.049 0.000 2.417 80 G HA2 0.559 4.520 3.960 0.001 0.000 0.320 80 G HA3 0.559 4.520 3.960 0.001 0.000 0.320 80 G C -0.894 173.947 174.900 -0.099 0.000 1.204 80 G CA -0.349 44.707 45.100 -0.073 0.000 0.923 80 G HN 0.820 nan 8.290 nan 0.000 0.466 84 D N 0.523 120.766 120.400 -0.262 0.000 2.462 84 D HA 0.296 4.936 4.640 0.001 0.000 0.245 84 D C 0.516 176.895 176.300 0.132 0.000 1.122 84 D CA -0.553 53.435 54.000 -0.019 0.000 0.864 84 D CB 0.584 41.351 40.800 -0.054 0.000 1.098 84 D HN 0.050 nan 8.370 nan 0.000 0.541 85 Y N 2.371 122.873 120.300 0.336 0.000 2.348 85 Y HA -0.269 4.282 4.550 0.001 0.000 0.285 85 Y C 2.361 177.971 175.900 -0.483 0.000 1.173 85 Y CA 1.267 59.431 58.100 0.107 0.000 1.263 85 Y CB 0.112 38.709 38.460 0.228 0.000 0.974 85 Y HN 0.612 nan 8.280 nan 0.000 0.547 86 A N -0.030 122.413 122.820 -0.629 0.000 1.978 86 A HA -0.222 4.098 4.320 0.001 0.000 0.220 86 A C 1.810 179.113 177.584 -0.467 0.000 1.170 86 A CA 2.037 53.429 52.037 -1.076 0.000 0.636 86 A CB -0.487 18.224 19.000 -0.481 0.000 0.810 86 A HN 0.381 nan 8.150 nan 0.000 0.448 87 D N -0.088 120.195 120.400 -0.196 0.000 2.312 87 D HA -0.061 4.580 4.640 0.001 0.000 0.211 87 D C 1.636 177.931 176.300 -0.007 0.000 0.964 87 D CA 1.200 55.159 54.000 -0.068 0.000 0.877 87 D CB -0.242 40.545 40.800 -0.022 0.000 0.924 87 D HN 0.782 nan 8.370 nan 0.000 0.515 88 I N -1.367 119.217 120.570 0.024 0.000 3.680 88 I HA 0.079 4.249 4.170 0.001 0.000 0.306 88 I C 0.763 176.934 176.117 0.091 0.000 1.260 88 I CA -0.256 61.094 61.300 0.083 0.000 1.201 88 I CB -0.053 38.027 38.000 0.134 0.000 1.009 88 I HN -0.292 nan 8.210 nan 0.000 0.467 89 S N 1.850 117.583 115.700 0.054 0.000 2.552 89 S HA 0.309 4.779 4.470 0.001 0.000 0.289 89 S C 1.429 176.084 174.600 0.092 0.000 1.304 89 S CA 0.707 58.971 58.200 0.107 0.000 1.063 89 S CB -0.057 63.190 63.200 0.079 0.000 0.848 89 S HN 1.069 nan 8.310 nan 0.000 0.499 90 G N 3.640 112.503 108.800 0.105 0.000 2.179 90 G HA2 -0.237 3.724 3.960 0.001 0.000 0.257 90 G HA3 -0.237 3.724 3.960 0.001 0.000 0.257 90 G C 0.160 175.112 174.900 0.086 0.000 1.010 90 G CA 0.373 45.525 45.100 0.087 0.000 0.736 90 G HN 0.919 nan 8.290 nan 0.000 0.513 91 S N 0.203 115.958 115.700 0.092 0.000 2.548 91 S HA 0.314 4.785 4.470 0.001 0.000 0.277 91 S C 1.160 175.826 174.600 0.110 0.000 1.315 91 S CA -0.238 58.017 58.200 0.091 0.000 1.050 91 S CB 1.004 64.253 63.200 0.082 0.000 0.918 91 S HN 0.317 nan 8.310 nan 0.000 0.497 92 D N 1.366 121.846 120.400 0.133 0.000 2.194 92 D HA 0.028 4.669 4.640 0.001 0.000 0.204 92 D C 0.138 176.567 176.300 0.214 0.000 0.964 92 D CA 1.023 55.145 54.000 0.204 0.000 0.846 92 D CB 0.328 41.265 40.800 0.229 0.000 0.962 92 D HN 0.226 nan 8.370 nan 0.000 0.490 93 V N 1.191 121.193 119.914 0.146 0.000 2.686 93 V HA 0.290 4.411 4.120 0.001 0.000 0.306 93 V C -0.345 175.761 176.094 0.020 0.000 1.065 93 V CA -0.804 61.547 62.300 0.085 0.000 0.894 93 V CB 2.939 34.852 31.823 0.151 0.000 1.004 93 V HN -0.274 nan 8.190 nan 0.000 0.424 94 V N 5.811 125.687 119.914 -0.063 0.000 2.444 94 V HA 0.539 4.660 4.120 0.001 0.000 0.294 94 V C -0.353 175.641 176.094 -0.168 0.000 1.022 94 V CA -0.377 61.871 62.300 -0.086 0.000 0.850 94 V CB 1.773 33.541 31.823 -0.090 0.000 0.992 94 V HN 0.690 nan 8.190 nan 0.000 0.426 95 I N 5.901 126.400 120.570 -0.119 0.000 2.339 95 I HA 0.475 4.646 4.170 0.001 0.000 0.290 95 I C -0.462 175.576 176.117 -0.132 0.000 0.994 95 I CA -0.390 60.826 61.300 -0.140 0.000 1.191 95 I CB 1.657 39.614 38.000 -0.072 0.000 1.343 95 I HN 0.440 nan 8.210 nan 0.000 0.458 96 I N 5.823 126.280 120.570 -0.189 0.000 2.306 96 I HA 0.151 4.322 4.170 0.001 0.000 0.288 96 I C 1.075 177.133 176.117 -0.097 0.000 1.036 96 I CA -0.016 61.193 61.300 -0.152 0.000 1.221 96 I CB 1.272 39.128 38.000 -0.241 0.000 1.385 96 I HN 0.659 nan 8.210 nan 0.000 0.472 97 T N 1.825 116.352 114.554 -0.044 0.000 3.040 97 T HA 0.357 4.708 4.350 0.001 0.000 0.266 97 T C 0.753 175.452 174.700 -0.002 0.000 1.005 97 T CA -0.250 61.836 62.100 -0.024 0.000 0.906 97 T CB 0.263 69.123 68.868 -0.013 0.000 1.082 97 T HN 0.515 nan 8.240 nan 0.000 0.531 98 A N 1.216 124.045 122.820 0.015 0.000 2.531 98 A HA 0.577 4.898 4.320 0.001 0.000 0.236 98 A C 0.441 178.043 177.584 0.031 0.000 1.062 98 A CA 0.020 52.083 52.037 0.043 0.000 0.760 98 A CB -0.113 18.932 19.000 0.076 0.000 0.995 98 A HN 0.754 nan 8.150 nan 0.000 0.501 99 S N 0.648 116.368 115.700 0.033 0.000 2.580 99 S HA 0.467 4.938 4.470 0.001 0.000 0.281 99 S C -0.184 174.432 174.600 0.027 0.000 1.129 99 S CA -0.275 57.940 58.200 0.026 0.000 0.862 99 S CB 0.299 63.508 63.200 0.015 0.000 1.090 99 S HN 1.447 nan 8.310 nan 0.000 0.451 109 R N 0.577 120.861 120.500 -0.359 0.000 2.293 109 R HA -0.005 4.336 4.340 0.001 0.000 0.219 109 R C 1.749 177.936 176.300 -0.189 0.000 1.091 109 R CA 0.823 56.717 56.100 -0.343 0.000 1.004 109 R CB 0.071 30.085 30.300 -0.476 0.000 0.865 109 R HN 0.152 nan 8.270 nan 0.000 0.469 110 S N 1.116 116.717 115.700 -0.166 0.000 2.428 110 S HA -0.079 4.392 4.470 0.001 0.000 0.230 110 S C 1.223 175.724 174.600 -0.165 0.000 1.014 110 S CA 0.808 58.909 58.200 -0.165 0.000 0.957 110 S CB 0.051 63.158 63.200 -0.155 0.000 0.784 110 S HN 0.398 nan 8.310 nan 0.000 0.499 111 E N 0.944 121.086 120.200 -0.097 0.000 2.455 111 E HA -0.100 4.251 4.350 0.001 0.000 0.202 111 E C 0.991 177.552 176.600 -0.066 0.000 1.045 111 E CA 0.674 57.034 56.400 -0.066 0.000 0.872 111 E CB -0.268 29.434 29.700 0.002 0.000 0.792 111 E HN 0.500 nan 8.360 nan 0.000 0.542 112 L N -0.108 121.063 121.223 -0.086 0.000 2.664 112 L HA 0.090 4.430 4.340 0.001 0.000 0.233 112 L C 1.861 178.669 176.870 -0.104 0.000 1.113 112 L CA -0.301 54.505 54.840 -0.057 0.000 0.896 112 L CB 0.002 42.042 42.059 -0.032 0.000 1.163 112 L HN 0.105 nan 8.230 nan 0.000 0.497 113 L N 0.604 121.696 121.223 -0.218 0.000 2.030 113 L HA -0.289 4.052 4.340 0.001 0.000 0.222 113 L C 2.263 179.000 176.870 -0.223 0.000 1.082 113 L CA 2.347 57.006 54.840 -0.302 0.000 0.785 113 L CB -0.565 41.180 42.059 -0.523 0.000 0.895 113 L HN 0.098 nan 8.230 nan 0.000 0.439 114 F N -0.725 119.192 119.950 -0.055 0.000 2.060 114 F HA -0.072 4.455 4.527 0.001 0.000 0.295 114 F C 2.468 178.240 175.800 -0.047 0.000 1.120 114 F CA 0.759 58.726 58.000 -0.056 0.000 1.205 114 F CB -1.242 37.737 39.000 -0.034 0.000 0.986 114 F HN 0.262 nan 8.300 nan 0.000 0.470 115 G N 0.612 109.512 108.800 0.166 0.000 2.545 115 G HA2 -0.304 3.657 3.960 0.001 0.000 0.217 115 G HA3 -0.304 3.657 3.960 0.001 0.000 0.217 115 G C 1.396 176.332 174.900 0.059 0.000 1.218 115 G CA 1.268 46.424 45.100 0.094 0.000 0.787 115 G HN 0.230 nan 8.290 nan 0.000 0.571 116 N N 1.369 120.087 118.700 0.030 0.000 2.289 116 N HA -0.065 4.676 4.740 0.001 0.000 0.184 116 N C 2.364 177.884 175.510 0.016 0.000 1.016 116 N CA 1.145 54.208 53.050 0.022 0.000 0.872 116 N CB -0.467 38.020 38.487 -0.000 0.000 0.973 116 N HN 0.360 nan 8.380 nan 0.000 0.433 117 A N 1.796 124.594 122.820 -0.038 0.000 1.877 117 A HA -0.114 4.207 4.320 0.001 0.000 0.216 117 A C 2.229 179.813 177.584 0.000 0.000 1.186 117 A CA 1.059 52.994 52.037 -0.170 0.000 0.620 117 A CB -0.196 18.624 19.000 -0.301 0.000 0.822 117 A HN 0.080 nan 8.150 nan 0.000 0.443 118 R N -0.129 120.398 120.500 0.045 0.000 2.081 118 R HA -0.050 4.290 4.340 0.001 0.000 0.235 118 R C 2.013 178.376 176.300 0.104 0.000 1.131 118 R CA 1.373 57.523 56.100 0.085 0.000 0.960 118 R CB -1.057 29.282 30.300 0.065 0.000 0.856 118 R HN 0.674 nan 8.270 nan 0.000 0.436 119 I N 0.727 121.356 120.570 0.097 0.000 2.099 119 I HA -0.303 3.868 4.170 0.001 0.000 0.239 119 I C 2.055 178.252 176.117 0.133 0.000 1.066 119 I CA 1.152 62.518 61.300 0.110 0.000 1.324 119 I CB -0.415 37.643 38.000 0.096 0.000 1.037 119 I HN 0.024 nan 8.210 nan 0.000 0.401 120 L N 0.540 121.860 121.223 0.162 0.000 2.189 120 L HA -0.265 4.076 4.340 0.001 0.000 0.214 120 L C 1.990 178.951 176.870 0.153 0.000 1.097 120 L CA 1.766 56.739 54.840 0.221 0.000 0.764 120 L CB -0.996 41.262 42.059 0.331 0.000 0.900 120 L HN 0.239 nan 8.230 nan 0.000 0.436 121 D N -1.531 118.959 120.400 0.150 0.000 2.104 121 D HA -0.185 4.455 4.640 0.001 0.000 0.194 121 D C 2.407 178.695 176.300 -0.019 0.000 0.994 121 D CA 1.532 55.556 54.000 0.041 0.000 0.830 121 D CB -0.139 40.716 40.800 0.092 0.000 0.959 121 D HN 0.261 nan 8.370 nan 0.000 0.452 122 S N -0.294 115.427 115.700 0.035 0.000 2.343 122 S HA -0.127 4.344 4.470 0.001 0.000 0.219 122 S C 2.202 176.766 174.600 -0.060 0.000 1.033 122 S CA 1.187 59.400 58.200 0.022 0.000 1.014 122 S CB -0.406 62.864 63.200 0.117 0.000 0.915 122 S HN 0.049 nan 8.310 nan 0.000 0.435 123 V N 2.428 122.360 119.914 0.031 0.000 2.380 123 V HA -0.216 3.905 4.120 0.001 0.000 0.251 123 V C 2.826 178.874 176.094 -0.076 0.000 1.063 123 V CA 1.894 64.192 62.300 -0.004 0.000 1.055 123 V CB -1.413 30.495 31.823 0.142 0.000 0.657 123 V HN 0.630 nan 8.190 nan 0.000 0.455 124 A N -0.680 122.106 122.820 -0.057 0.000 1.933 124 A HA -0.195 4.126 4.320 0.001 0.000 0.218 124 A C 2.210 179.608 177.584 -0.310 0.000 1.175 124 A CA 1.615 53.471 52.037 -0.302 0.000 0.628 124 A CB -0.360 18.285 19.000 -0.593 0.000 0.814 124 A HN 0.522 nan 8.150 nan 0.000 0.444 125 E N -0.314 119.712 120.200 -0.290 0.000 2.047 125 E HA -0.113 4.238 4.350 0.001 0.000 0.191 125 E C 2.248 178.621 176.600 -0.379 0.000 0.987 125 E CA 1.237 57.463 56.400 -0.290 0.000 0.799 125 E CB -0.987 28.583 29.700 -0.217 0.000 0.752 125 E HN 0.540 nan 8.360 nan 0.000 0.449 126 G N 1.008 109.421 108.800 -0.644 0.000 2.422 126 G HA2 -0.206 3.755 3.960 0.001 0.000 0.218 126 G HA3 -0.206 3.755 3.960 0.001 0.000 0.218 126 G C 1.839 176.528 174.900 -0.353 0.000 1.146 126 G CA 1.109 45.711 45.100 -0.829 0.000 0.769 126 G HN 0.180 nan 8.290 nan 0.000 0.547 127 V N 0.929 120.671 119.914 -0.285 0.000 2.244 127 V HA -0.119 4.001 4.120 0.001 0.000 0.244 127 V C 2.590 178.633 176.094 -0.084 0.000 1.042 127 V CA 2.140 64.398 62.300 -0.070 0.000 1.006 127 V CB -0.511 31.355 31.823 0.073 0.000 0.641 127 V HN 0.437 nan 8.190 nan 0.000 0.446 128 K N 0.208 120.514 120.400 -0.157 0.000 2.281 128 K HA -0.253 4.068 4.320 0.001 0.000 0.203 128 K C 2.136 178.629 176.600 -0.179 0.000 1.046 128 K CA 1.769 57.957 56.287 -0.165 0.000 0.938 128 K CB -0.038 32.333 32.500 -0.214 0.000 0.737 128 K HN 0.466 nan 8.250 nan 0.000 0.458 129 K N -0.954 119.293 120.400 -0.254 0.000 2.190 129 K HA -0.035 4.286 4.320 0.001 0.000 0.202 129 K C 1.024 177.381 176.600 -0.404 0.000 1.045 129 K CA 0.473 56.523 56.287 -0.395 0.000 0.976 129 K CB 0.147 32.275 32.500 -0.620 0.000 0.849 129 K HN 0.066 nan 8.250 nan 0.000 0.468 130 Y N 0.175 120.453 120.300 -0.037 0.000 2.457 130 Y HA 0.173 4.723 4.550 0.001 0.000 0.263 130 Y C 0.016 175.928 175.900 0.019 0.000 1.164 130 Y CA -0.670 57.435 58.100 0.008 0.000 1.274 130 Y CB 0.135 38.623 38.460 0.048 0.000 1.097 130 Y HN 0.203 nan 8.280 nan 0.000 0.523 131 C N -3.559 115.809 119.300 0.113 0.000 3.175 131 C HA 0.245 4.706 4.460 0.001 0.000 0.399 131 C C 0.462 175.484 174.990 0.054 0.000 1.053 131 C CA -1.959 57.114 59.018 0.091 0.000 1.102 131 C CB 0.144 27.950 27.740 0.111 0.000 1.488 131 C HN 0.499 nan 8.230 nan 0.000 0.580 132 N N 0.164 118.896 118.700 0.054 0.000 2.418 132 N HA -0.209 4.532 4.740 0.001 0.000 0.238 132 N C 0.552 176.128 175.510 0.109 0.000 1.285 132 N CA 1.505 54.602 53.050 0.078 0.000 0.766 132 N CB -0.360 38.174 38.487 0.078 0.000 1.190 132 N HN 1.360 nan 8.380 nan 0.000 0.586 133 A N -0.059 122.816 122.820 0.090 0.000 2.351 133 A HA 0.439 4.760 4.320 0.001 0.000 0.257 133 A C -0.049 177.568 177.584 0.055 0.000 1.087 133 A CA -0.379 51.711 52.037 0.087 0.000 0.798 133 A CB 0.255 19.290 19.000 0.059 0.000 1.033 133 A HN 0.225 nan 8.150 nan 0.000 0.488 134 F N 2.821 122.614 119.950 -0.262 0.000 2.445 134 F HA 0.466 4.994 4.527 0.001 0.000 0.359 134 F C -0.187 175.438 175.800 -0.292 0.000 1.101 134 F CA -0.622 57.090 58.000 -0.480 0.000 1.177 134 F CB 0.767 38.985 39.000 -1.303 0.000 1.110 134 F HN 0.226 nan 8.300 nan 0.000 0.522 135 V N 8.465 128.038 119.914 -0.568 0.000 2.370 135 V HA 0.317 4.438 4.120 0.001 0.000 0.279 135 V C 0.162 175.797 176.094 -0.765 0.000 1.029 135 V CA -0.630 61.330 62.300 -0.568 0.000 0.870 135 V CB 1.230 32.772 31.823 -0.469 0.000 0.984 135 V HN 0.556 nan 8.190 nan 0.000 0.451 136 I N 4.763 124.969 120.570 -0.607 0.000 2.359 136 I HA 0.290 4.461 4.170 0.001 0.000 0.284 136 I C 0.104 176.002 176.117 -0.366 0.000 1.018 136 I CA -0.128 60.880 61.300 -0.487 0.000 1.173 136 I CB 1.196 38.991 38.000 -0.341 0.000 1.326 136 I HN 0.597 nan 8.210 nan 0.000 0.462 137 C N 7.067 126.151 119.300 -0.360 0.000 2.527 137 C HA 0.446 4.907 4.460 0.001 0.000 0.396 137 C C 1.414 176.286 174.990 -0.197 0.000 1.289 137 C CA -0.095 58.740 59.018 -0.305 0.000 2.047 137 C CB -0.202 27.347 27.740 -0.319 0.000 2.568 137 C HN 0.835 nan 8.230 nan 0.000 0.573 138 I N 2.501 122.978 120.570 -0.156 0.000 4.607 138 I HA 0.048 4.219 4.170 0.001 0.000 0.324 138 I C 1.059 177.126 176.117 -0.083 0.000 1.279 138 I CA 0.244 61.476 61.300 -0.114 0.000 1.286 138 I CB -0.151 37.798 38.000 -0.085 0.000 1.265 138 I HN 0.580 nan 8.210 nan 0.000 0.446 139 T N 2.674 117.182 114.554 -0.076 0.000 2.933 139 T HA 0.004 4.354 4.350 0.001 0.000 0.306 139 T C 0.077 174.752 174.700 -0.041 0.000 1.045 139 T CA 0.550 62.623 62.100 -0.045 0.000 1.143 139 T CB -0.006 68.842 68.868 -0.034 0.000 1.003 139 T HN 0.209 nan 8.240 nan 0.000 0.540 140 N N 3.148 121.830 118.700 -0.030 0.000 2.495 140 N HA 0.319 5.060 4.740 0.001 0.000 0.280 140 N C -2.518 172.957 175.510 -0.059 0.000 1.168 140 N CA -1.858 51.168 53.050 -0.041 0.000 0.978 140 N CB 0.993 39.451 38.487 -0.048 0.000 1.191 140 N HN 0.369 nan 8.380 nan 0.000 0.497 141 P HA -0.031 nan 4.420 nan 0.000 0.279 141 P C 0.911 178.181 177.300 -0.050 0.000 1.318 141 P CA -0.107 62.941 63.100 -0.086 0.000 0.819 141 P CB 0.712 32.339 31.700 -0.121 0.000 0.927 142 L N 4.220 125.433 121.223 -0.017 0.000 2.059 142 L HA -0.294 4.047 4.340 0.001 0.000 0.242 142 L C 1.584 178.443 176.870 -0.018 0.000 1.107 142 L CA 2.513 57.343 54.840 -0.017 0.000 0.836 142 L CB -1.123 40.942 42.059 0.009 0.000 0.933 142 L HN 0.399 nan 8.230 nan 0.000 0.446 143 D N -0.852 119.557 120.400 0.015 0.000 2.149 143 D HA -0.187 4.454 4.640 0.001 0.000 0.194 143 D C 2.099 178.417 176.300 0.029 0.000 1.001 143 D CA 1.760 55.785 54.000 0.043 0.000 0.849 143 D CB -0.143 40.695 40.800 0.064 0.000 0.939 143 D HN 0.363 nan 8.370 nan 0.000 0.449 144 V N 1.523 121.441 119.914 0.007 0.000 2.323 144 V HA -0.214 3.906 4.120 0.001 0.000 0.244 144 V C 2.577 178.680 176.094 0.015 0.000 1.041 144 V CA 1.096 63.403 62.300 0.011 0.000 1.025 144 V CB -0.334 31.473 31.823 -0.026 0.000 0.656 144 V HN 0.172 nan 8.190 nan 0.000 0.451 145 M N -0.324 119.272 119.600 -0.007 0.000 2.149 145 M HA -0.136 4.345 4.480 0.001 0.000 0.261 145 M C 2.260 178.574 176.300 0.023 0.000 1.064 145 M CA 1.583 56.900 55.300 0.028 0.000 1.102 145 M CB -1.112 31.483 32.600 -0.009 0.000 1.369 145 M HN 0.293 nan 8.290 nan 0.000 0.408 146 V N -0.493 119.363 119.914 -0.097 0.000 2.261 146 V HA -0.253 3.868 4.120 0.001 0.000 0.246 146 V C 2.600 178.460 176.094 -0.391 0.000 1.047 146 V CA 2.159 64.301 62.300 -0.263 0.000 1.015 146 V CB -1.096 30.503 31.823 -0.373 0.000 0.642 146 V HN 0.492 nan 8.190 nan 0.000 0.446 147 S N -0.914 114.557 115.700 -0.382 0.000 2.374 147 S HA -0.332 4.139 4.470 0.001 0.000 0.227 147 S C 2.093 176.673 174.600 -0.034 0.000 1.037 147 S CA 2.338 60.413 58.200 -0.208 0.000 1.024 147 S CB -0.459 62.803 63.200 0.104 0.000 0.861 147 S HN 0.826 nan 8.310 nan 0.000 0.456 148 H N -0.143 118.892 119.070 -0.058 0.000 2.319 148 H HA -0.082 4.475 4.556 0.002 0.000 0.299 148 H C 1.768 177.066 175.328 -0.050 0.000 1.092 148 H CA 2.283 58.313 56.048 -0.029 0.000 1.302 148 H CB -0.844 28.916 29.762 -0.004 0.000 1.373 148 H HN 0.507 nan 8.280 nan 0.000 0.497 149 F N 1.094 120.927 119.950 -0.196 0.000 2.046 149 F HA -0.245 4.282 4.527 0.001 0.000 0.297 149 F C 2.748 178.383 175.800 -0.274 0.000 1.123 149 F CA 2.126 59.973 58.000 -0.254 0.000 1.199 149 F CB -0.498 38.386 39.000 -0.194 0.000 0.972 149 F HN 0.238 nan 8.300 nan 0.000 0.474 150 Q N 0.882 120.625 119.800 -0.096 0.000 2.197 150 Q HA -0.277 4.063 4.340 0.001 0.000 0.207 150 Q C 2.086 177.914 176.000 -0.288 0.000 0.984 150 Q CA 2.001 57.701 55.803 -0.173 0.000 0.869 150 Q CB -0.324 28.353 28.738 -0.102 0.000 0.906 150 Q HN 0.395 nan 8.270 nan 0.000 0.426 151 K N 0.182 120.428 120.400 -0.257 0.000 1.991 151 K HA -0.085 4.236 4.320 0.001 0.000 0.207 151 K C 1.960 178.371 176.600 -0.316 0.000 1.045 151 K CA 1.727 57.876 56.287 -0.231 0.000 0.937 151 K CB -0.731 31.687 32.500 -0.136 0.000 0.720 151 K HN 0.143 nan 8.250 nan 0.000 0.438 152 V N -0.018 119.623 119.914 -0.455 0.000 3.380 152 V HA 0.010 4.130 4.120 0.001 0.000 0.268 152 V C 1.553 177.364 176.094 -0.471 0.000 1.168 152 V CA 1.809 63.844 62.300 -0.442 0.000 1.156 152 V CB -0.468 31.040 31.823 -0.526 0.000 0.785 152 V HN 0.463 nan 8.190 nan 0.000 0.487 153 S N -0.665 114.676 115.700 -0.599 0.000 2.527 153 S HA 0.425 4.895 4.470 0.001 0.000 0.227 153 S C 1.904 176.272 174.600 -0.387 0.000 1.059 153 S CA 0.961 58.794 58.200 -0.612 0.000 0.919 153 S CB 0.363 62.919 63.200 -1.075 0.000 0.805 153 S HN 1.767 nan 8.310 nan 0.000 0.500 154 G N 0.918 109.512 108.800 -0.343 0.000 2.179 154 G HA2 -0.196 3.765 3.960 0.001 0.000 0.260 154 G HA3 -0.196 3.765 3.960 0.001 0.000 0.260 154 G C -0.149 174.623 174.900 -0.213 0.000 0.977 154 G CA 0.292 45.243 45.100 -0.249 0.000 0.641 154 G HN 0.496 nan 8.290 nan 0.000 0.533 155 L N 1.488 122.589 121.223 -0.204 0.000 2.452 155 L HA 0.451 4.791 4.340 0.001 0.000 0.267 155 L C -1.575 175.208 176.870 -0.144 0.000 1.188 155 L CA -1.547 53.226 54.840 -0.113 0.000 0.821 155 L CB 0.052 42.101 42.059 -0.017 0.000 1.102 155 L HN -0.102 nan 8.230 nan 0.000 0.470 156 P HA -0.021 nan 4.420 nan 0.000 0.261 156 P C 0.552 177.832 177.300 -0.034 0.000 1.183 156 P CA 0.123 63.180 63.100 -0.071 0.000 0.761 156 P CB 0.260 31.976 31.700 0.027 0.000 0.785 157 H N 3.481 122.535 119.070 -0.027 0.000 2.330 157 H HA -0.240 4.317 4.556 0.001 0.000 0.290 157 H C 1.688 177.110 175.328 0.158 0.000 1.111 157 H CA 2.210 58.266 56.048 0.013 0.000 1.226 157 H CB -0.628 28.977 29.762 -0.262 0.000 1.355 157 H HN 0.593 nan 8.280 nan 0.000 0.485 158 N N 1.279 120.141 118.700 0.270 0.000 2.443 158 N HA -0.130 4.611 4.740 0.001 0.000 0.184 158 N C 0.961 176.652 175.510 0.303 0.000 1.037 158 N CA 0.877 54.083 53.050 0.260 0.000 0.896 158 N CB -0.018 38.591 38.487 0.204 0.000 0.959 158 N HN 0.221 nan 8.380 nan 0.000 0.442 159 K N 0.636 121.185 120.400 0.248 0.000 2.397 159 K HA 0.282 4.603 4.320 0.001 0.000 0.202 159 K C -0.433 176.228 176.600 0.102 0.000 1.022 159 K CA -0.156 56.296 56.287 0.275 0.000 1.141 159 K CB 1.100 33.713 32.500 0.188 0.000 0.857 159 K HN 0.049 nan 8.250 nan 0.000 0.514 160 V N 1.435 121.408 119.914 0.098 0.000 2.623 160 V HA 0.385 4.506 4.120 0.001 0.000 0.304 160 V C -0.204 175.929 176.094 0.066 0.000 1.054 160 V CA -1.085 61.205 62.300 -0.017 0.000 0.882 160 V CB 1.916 33.798 31.823 0.099 0.000 1.002 160 V HN 0.402 nan 8.190 nan 0.000 0.424 161 C N 1.834 121.048 119.300 -0.142 0.000 3.320 161 C HA 1.018 5.478 4.460 0.001 0.000 0.335 161 C C 0.109 175.015 174.990 -0.140 0.000 1.430 161 C CA -0.292 58.727 59.018 0.001 0.000 1.271 161 C CB 1.404 29.184 27.740 0.066 0.000 1.609 161 C HN 1.228 nan 8.230 nan 0.000 0.457 162 G N 1.000 109.770 108.800 -0.050 0.000 2.513 162 G HA2 0.601 4.561 3.960 0.001 0.000 0.317 162 G HA3 0.601 4.561 3.960 0.001 0.000 0.317 162 G C -0.787 174.063 174.900 -0.084 0.000 1.277 162 G CA -0.452 44.586 45.100 -0.103 0.000 0.955 162 G HN 0.997 nan 8.290 nan 0.000 0.484 163 M N 2.432 121.961 119.600 -0.118 0.000 2.200 163 M HA 0.572 5.052 4.480 0.001 0.000 0.355 163 M C 0.352 176.548 176.300 -0.174 0.000 1.283 163 M CA 0.076 55.311 55.300 -0.109 0.000 1.124 163 M CB 0.882 33.422 32.600 -0.099 0.000 1.625 163 M HN 0.803 nan 8.290 nan 0.000 0.463 164 A N 4.346 127.066 122.820 -0.166 0.000 2.134 164 A HA 0.275 4.596 4.320 0.001 0.000 0.169 164 A C 1.391 178.896 177.584 -0.131 0.000 1.465 164 A CA 0.519 52.379 52.037 -0.295 0.000 1.855 164 A CB -1.220 17.621 19.000 -0.266 0.000 1.812 164 A HN 0.764 nan 8.150 nan 0.000 0.866 165 G N 0.631 109.404 108.800 -0.045 0.000 2.574 165 G HA2 -0.225 3.736 3.960 0.001 0.000 0.220 165 G HA3 -0.225 3.736 3.960 0.001 0.000 0.220 165 G C 1.508 176.417 174.900 0.016 0.000 1.173 165 G CA 2.276 47.380 45.100 0.006 0.000 0.772 165 G HN 0.757 nan 8.290 nan 0.000 0.585 166 V N 0.667 120.582 119.914 0.002 0.000 2.324 166 V HA -0.187 3.934 4.120 0.001 0.000 0.250 166 V C 2.704 178.801 176.094 0.004 0.000 1.060 166 V CA 1.887 64.192 62.300 0.009 0.000 1.042 166 V CB -0.512 31.315 31.823 0.006 0.000 0.650 166 V HN 0.384 nan 8.190 nan 0.000 0.450 167 L N 0.155 121.368 121.223 -0.017 0.000 2.044 167 L HA -0.103 4.238 4.340 0.001 0.000 0.205 167 L C 2.119 179.013 176.870 0.040 0.000 1.075 167 L CA 2.011 56.850 54.840 -0.002 0.000 0.747 167 L CB -0.891 41.148 42.059 -0.032 0.000 0.903 167 L HN 0.290 nan 8.230 nan 0.000 0.435 168 D N -0.729 119.711 120.400 0.067 0.000 2.097 168 D HA -0.137 4.504 4.640 0.001 0.000 0.195 168 D C 2.193 178.565 176.300 0.120 0.000 0.989 168 D CA 1.672 55.742 54.000 0.116 0.000 0.827 168 D CB -0.100 40.779 40.800 0.132 0.000 0.966 168 D HN 0.356 nan 8.370 nan 0.000 0.456 169 S N 0.381 116.151 115.700 0.116 0.000 2.402 169 S HA -0.077 4.394 4.470 0.001 0.000 0.229 169 S C 2.210 176.868 174.600 0.097 0.000 1.021 169 S CA 0.624 58.929 58.200 0.175 0.000 0.974 169 S CB -0.057 63.223 63.200 0.133 0.000 0.800 169 S HN 0.133 nan 8.310 nan 0.000 0.484 170 S N 1.514 117.227 115.700 0.022 0.000 2.368 170 S HA -0.054 4.417 4.470 0.001 0.000 0.225 170 S C 1.977 176.489 174.600 -0.146 0.000 1.030 170 S CA 0.995 59.166 58.200 -0.048 0.000 0.999 170 S CB -0.139 63.034 63.200 -0.046 0.000 0.844 170 S HN 0.439 nan 8.310 nan 0.000 0.459 171 R N 0.043 120.446 120.500 -0.163 0.000 2.070 171 R HA -0.045 4.296 4.340 0.001 0.000 0.233 171 R C 2.078 178.062 176.300 -0.528 0.000 1.137 171 R CA 1.504 57.309 56.100 -0.491 0.000 0.945 171 R CB -0.562 29.591 30.300 -0.245 0.000 0.845 171 R HN 0.330 nan 8.270 nan 0.000 0.430 172 F N 2.117 121.947 119.950 -0.200 0.000 2.065 172 F HA -0.233 4.295 4.527 0.001 0.000 0.298 172 F C 2.106 177.887 175.800 -0.031 0.000 1.112 172 F CA 1.669 59.671 58.000 0.004 0.000 1.212 172 F CB -0.377 38.656 39.000 0.055 0.000 0.975 172 F HN -0.129 nan 8.300 nan 0.000 0.476 173 R N -0.809 119.613 120.500 -0.131 0.000 2.081 173 R HA -0.142 4.199 4.340 0.001 0.000 0.235 173 R C 2.152 178.357 176.300 -0.158 0.000 1.131 173 R CA 1.983 57.960 56.100 -0.206 0.000 0.960 173 R CB -1.089 29.137 30.300 -0.123 0.000 0.856 173 R HN 0.267 nan 8.270 nan 0.000 0.436 174 T N 1.065 115.489 114.554 -0.217 0.000 2.652 174 T HA -0.133 4.217 4.350 0.001 0.000 0.267 174 T C 1.464 176.082 174.700 -0.137 0.000 1.039 174 T CA 1.501 63.460 62.100 -0.235 0.000 1.153 174 T CB -0.279 68.351 68.868 -0.396 0.000 0.863 174 T HN 0.055 nan 8.240 nan 0.000 0.428 175 F N 1.074 121.005 119.950 -0.033 0.000 2.126 175 F HA 0.021 4.549 4.527 0.001 0.000 0.299 175 F C 2.221 178.018 175.800 -0.006 0.000 1.096 175 F CA 0.121 58.104 58.000 -0.028 0.000 1.255 175 F CB -1.122 37.855 39.000 -0.038 0.000 0.997 175 F HN 0.165 nan 8.300 nan 0.000 0.479 176 I N -0.149 120.497 120.570 0.127 0.000 2.179 176 I HA -0.309 3.862 4.170 0.001 0.000 0.242 176 I C 2.647 178.848 176.117 0.140 0.000 1.088 176 I CA 1.290 62.631 61.300 0.068 0.000 1.357 176 I CB -0.855 37.114 38.000 -0.051 0.000 1.051 176 I HN 0.094 nan 8.210 nan 0.000 0.409 177 A N 0.328 123.199 122.820 0.084 0.000 1.908 177 A HA -0.270 4.050 4.320 0.001 0.000 0.218 177 A C 2.264 179.902 177.584 0.090 0.000 1.181 177 A CA 1.684 53.775 52.037 0.091 0.000 0.627 177 A CB -0.664 18.347 19.000 0.018 0.000 0.818 177 A HN 0.515 nan 8.150 nan 0.000 0.445 178 Q N -1.388 118.459 119.800 0.079 0.000 2.084 178 Q HA -0.213 4.127 4.340 0.001 0.000 0.202 178 Q C 2.142 178.158 176.000 0.026 0.000 0.978 178 Q CA 1.400 57.242 55.803 0.065 0.000 0.844 178 Q CB -0.467 28.336 28.738 0.107 0.000 0.898 178 Q HN 0.909 nan 8.270 nan 0.000 0.426 179 H N 0.240 119.261 119.070 -0.082 0.000 2.253 179 H HA -0.159 4.397 4.556 0.001 0.000 0.296 179 H C 1.681 176.846 175.328 -0.271 0.000 1.074 179 H CA 1.800 57.701 56.048 -0.246 0.000 1.263 179 H CB -0.118 29.356 29.762 -0.479 0.000 1.363 179 H HN 0.212 nan 8.280 nan 0.000 0.489 180 F N 0.257 120.111 119.950 -0.161 0.000 2.407 180 F HA 0.105 4.632 4.527 0.001 0.000 0.299 180 F C 1.977 177.689 175.800 -0.147 0.000 1.097 180 F CA 1.067 58.939 58.000 -0.214 0.000 1.422 180 F CB -0.346 38.531 39.000 -0.204 0.000 1.067 180 F HN 0.470 nan 8.300 nan 0.000 0.539 181 G N 1.060 109.895 108.800 0.059 0.000 2.289 181 G HA2 -0.054 3.907 3.960 0.001 0.000 0.280 181 G HA3 -0.054 3.907 3.960 0.001 0.000 0.280 181 G C -0.302 174.624 174.900 0.044 0.000 1.089 181 G CA 0.098 45.215 45.100 0.028 0.000 0.939 181 G HN 0.698 nan 8.290 nan 0.000 0.499 182 V N -2.799 117.150 119.914 0.058 0.000 2.876 182 V HA 0.832 4.953 4.120 0.001 0.000 0.312 182 V C 0.372 176.474 176.094 0.014 0.000 1.085 182 V CA -1.390 60.928 62.300 0.030 0.000 0.945 182 V CB 1.885 33.719 31.823 0.018 0.000 1.017 182 V HN 0.718 nan 8.190 nan 0.000 0.428 183 N N 2.861 121.562 118.700 0.002 0.000 2.223 183 N HA 0.025 4.766 4.740 0.001 0.000 0.271 183 N C 1.254 176.756 175.510 -0.013 0.000 1.315 183 N CA 1.044 54.090 53.050 -0.007 0.000 0.835 183 N CB 1.360 39.842 38.487 -0.009 0.000 1.066 183 N HN 1.155 nan 8.380 nan 0.000 0.486 184 A N 3.247 126.055 122.820 -0.020 0.000 2.024 184 A HA -0.146 4.175 4.320 0.001 0.000 0.220 184 A C 2.078 179.641 177.584 -0.035 0.000 1.164 184 A CA 1.753 53.770 52.037 -0.033 0.000 0.643 184 A CB -0.545 18.426 19.000 -0.047 0.000 0.806 184 A HN 0.727 nan 8.150 nan 0.000 0.451 185 S N 0.164 115.848 115.700 -0.027 0.000 2.474 185 S HA -0.070 4.401 4.470 0.001 0.000 0.235 185 S C 0.717 175.304 174.600 -0.022 0.000 0.997 185 S CA 0.992 59.178 58.200 -0.023 0.000 0.949 185 S CB -0.161 63.029 63.200 -0.018 0.000 0.766 185 S HN 0.604 nan 8.310 nan 0.000 0.517 186 D N 1.107 121.493 120.400 -0.024 0.000 2.342 186 D HA 0.172 4.813 4.640 0.001 0.000 0.221 186 D C -0.404 175.876 176.300 -0.034 0.000 1.101 186 D CA 0.213 54.199 54.000 -0.024 0.000 0.837 186 D CB 0.545 41.333 40.800 -0.020 0.000 0.938 186 D HN 0.152 nan 8.370 nan 0.000 0.508 187 V N 0.878 120.767 119.914 -0.042 0.000 2.384 187 V HA 0.217 4.338 4.120 0.001 0.000 0.287 187 V C 0.154 176.212 176.094 -0.059 0.000 1.020 187 V CA -0.647 61.616 62.300 -0.061 0.000 0.850 187 V CB 1.857 33.633 31.823 -0.078 0.000 0.987 187 V HN -0.078 nan 8.190 nan 0.000 0.436 188 S N 4.151 119.821 115.700 -0.049 0.000 2.422 188 S HA 0.822 5.293 4.470 0.001 0.000 0.308 188 S C -0.278 174.296 174.600 -0.044 0.000 1.097 188 S CA 0.047 58.230 58.200 -0.028 0.000 1.099 188 S CB 0.592 63.789 63.200 -0.005 0.000 0.976 188 S HN 1.217 nan 8.310 nan 0.000 0.471 189 A N 5.024 127.823 122.820 -0.035 0.000 2.512 189 A HA 0.602 4.922 4.320 0.001 0.000 0.294 189 A C -1.073 176.600 177.584 0.149 0.000 1.054 189 A CA -0.960 51.064 52.037 -0.022 0.000 0.756 189 A CB 0.939 19.705 19.000 -0.389 0.000 1.293 189 A HN 0.762 nan 8.150 nan 0.000 0.395 190 N N -0.298 118.550 118.700 0.246 0.000 2.443 190 N HA 0.704 5.445 4.740 0.001 0.000 0.293 190 N C -1.092 174.578 175.510 0.266 0.000 1.159 190 N CA -0.539 52.646 53.050 0.226 0.000 0.904 190 N CB 2.242 40.811 38.487 0.136 0.000 1.214 190 N HN 0.340 nan 8.380 nan 0.000 0.513 191 V N 2.229 122.228 119.914 0.140 0.000 2.447 191 V HA 0.447 4.568 4.120 0.001 0.000 0.292 191 V C -0.382 175.712 176.094 0.001 0.000 1.021 191 V CA -0.620 61.695 62.300 0.025 0.000 0.850 191 V CB 0.562 32.390 31.823 0.008 0.000 1.005 191 V HN 0.563 nan 8.190 nan 0.000 0.426 192 I N 2.128 122.676 120.570 -0.036 0.000 2.982 192 I HA 1.093 5.264 4.170 0.001 0.000 0.312 192 I C 0.509 176.574 176.117 -0.086 0.000 1.041 192 I CA -0.363 60.889 61.300 -0.081 0.000 1.053 192 I CB 2.136 40.049 38.000 -0.145 0.000 1.248 192 I HN 0.855 nan 8.210 nan 0.000 0.471 193 G N 1.466 110.200 108.800 -0.109 0.000 2.526 193 G HA2 0.152 4.113 3.960 0.001 0.000 0.250 193 G HA3 0.152 4.113 3.960 0.001 0.000 0.250 193 G C -0.193 174.684 174.900 -0.039 0.000 1.289 193 G CA -0.499 44.552 45.100 -0.081 0.000 0.947 193 G HN 1.298 nan 8.290 nan 0.000 0.517 194 G N -1.140 107.642 108.800 -0.030 0.000 2.467 194 G HA2 0.513 4.473 3.960 0.001 0.000 0.257 194 G HA3 0.513 4.473 3.960 0.001 0.000 0.257 194 G C 0.005 174.904 174.900 -0.002 0.000 1.227 194 G CA 0.515 45.610 45.100 -0.008 0.000 0.835 194 G HN 1.337 nan 8.290 nan 0.000 0.556 195 H N 0.891 119.916 119.070 -0.076 0.000 3.205 195 H HA 0.494 5.051 4.556 0.001 0.000 0.262 195 H C 0.717 175.953 175.328 -0.153 0.000 1.333 195 H CA 0.865 56.853 56.048 -0.099 0.000 1.499 195 H CB -0.286 29.421 29.762 -0.092 0.000 1.609 195 H HN 0.740 nan 8.280 nan 0.000 0.498 196 G N 2.922 111.481 108.800 -0.401 0.000 2.435 196 G HA2 -0.045 3.915 3.960 0.001 0.000 0.296 196 G HA3 -0.045 3.915 3.960 0.001 0.000 0.296 196 G C -0.046 174.703 174.900 -0.251 0.000 1.240 196 G CA -0.351 44.499 45.100 -0.416 0.000 0.872 196 G HN 0.358 nan 8.290 nan 0.000 0.480 197 D N -0.112 120.189 120.400 -0.165 0.000 2.218 197 D HA 0.043 4.684 4.640 0.001 0.000 0.204 197 D C 2.298 178.561 176.300 -0.062 0.000 0.976 197 D CA 1.761 55.720 54.000 -0.069 0.000 0.853 197 D CB -0.051 40.734 40.800 -0.025 0.000 0.939 197 D HN 0.487 nan 8.370 nan 0.000 0.481 198 G N 0.403 109.159 108.800 -0.074 0.000 2.920 198 G HA2 -0.003 3.958 3.960 0.001 0.000 0.208 198 G HA3 -0.003 3.958 3.960 0.001 0.000 0.208 198 G C 0.718 175.582 174.900 -0.061 0.000 1.159 198 G CA -0.251 44.815 45.100 -0.057 0.000 0.784 198 G HN 0.245 nan 8.290 nan 0.000 0.535 199 M N 0.098 119.653 119.600 -0.075 0.000 2.245 199 M HA 0.302 4.782 4.480 0.001 0.000 0.335 199 M C -0.995 175.257 176.300 -0.080 0.000 1.155 199 M CA 0.404 55.663 55.300 -0.068 0.000 1.055 199 M CB 0.997 33.561 32.600 -0.060 0.000 1.670 199 M HN -0.209 nan 8.290 nan 0.000 0.447 200 V N 5.001 124.866 119.914 -0.083 0.000 2.294 200 V HA 0.330 4.451 4.120 0.001 0.000 0.272 200 V C -2.238 173.767 176.094 -0.147 0.000 1.027 200 V CA -1.432 60.812 62.300 -0.093 0.000 0.823 200 V CB 0.704 32.495 31.823 -0.053 0.000 1.030 200 V HN 0.734 nan 8.190 nan 0.000 0.457 201 P HA 0.221 nan 4.420 nan 0.000 0.260 201 P C 0.290 177.423 177.300 -0.278 0.000 1.651 201 P CA -0.051 62.672 63.100 -0.629 0.000 1.139 201 P CB 0.460 31.478 31.700 -1.137 0.000 1.756 202 A N 3.074 125.886 122.820 -0.012 0.000 2.901 202 A HA 0.026 4.347 4.320 0.001 0.000 0.289 202 A C 1.833 179.569 177.584 0.253 0.000 1.779 202 A CA 0.534 52.641 52.037 0.117 0.000 1.352 202 A CB -1.082 17.992 19.000 0.124 0.000 1.008 202 A HN 0.530 nan 8.150 nan 0.000 0.596 203 T N -0.373 114.338 114.554 0.261 0.000 2.897 203 T HA -0.237 4.114 4.350 0.001 0.000 0.271 203 T C 2.001 176.821 174.700 0.200 0.000 1.084 203 T CA 1.848 64.142 62.100 0.322 0.000 1.123 203 T CB -0.726 68.296 68.868 0.257 0.000 0.865 203 T HN 1.144 nan 8.240 nan 0.000 0.496 204 S N 2.516 118.306 115.700 0.150 0.000 2.392 204 S HA -0.167 4.304 4.470 0.001 0.000 0.232 204 S C 1.976 176.641 174.600 0.109 0.000 1.041 204 S CA 1.477 59.745 58.200 0.113 0.000 1.026 204 S CB -1.068 62.187 63.200 0.092 0.000 0.845 204 S HN 0.826 nan 8.310 nan 0.000 0.465 205 S N 0.459 116.233 115.700 0.123 0.000 2.561 205 S HA 0.505 4.975 4.470 0.001 0.000 0.245 205 S C 0.043 174.697 174.600 0.091 0.000 1.001 205 S CA -0.708 57.552 58.200 0.100 0.000 1.002 205 S CB -0.007 63.250 63.200 0.096 0.000 0.805 205 S HN 0.279 nan 8.310 nan 0.000 0.458 206 V N 3.132 123.104 119.914 0.097 0.000 2.649 206 V HA 0.653 4.774 4.120 0.001 0.000 0.292 206 V C 0.337 176.464 176.094 0.054 0.000 1.055 206 V CA -0.075 62.249 62.300 0.040 0.000 1.023 206 V CB 1.052 32.880 31.823 0.008 0.000 0.992 206 V HN 0.721 nan 8.190 nan 0.000 0.480 207 S N 2.358 118.073 115.700 0.025 0.000 2.566 207 S HA 0.515 4.986 4.470 0.001 0.000 0.273 207 S C -0.447 174.163 174.600 0.015 0.000 1.157 207 S CA -0.635 57.595 58.200 0.050 0.000 0.938 207 S CB 1.656 64.876 63.200 0.033 0.000 1.087 207 S HN 0.226 nan 8.310 nan 0.000 0.474 208 V N 1.560 121.503 119.914 0.049 0.000 3.431 208 V HA 0.226 4.347 4.120 0.001 0.000 0.253 208 V C -0.778 175.327 176.094 0.019 0.000 1.184 208 V CA 0.576 62.854 62.300 -0.037 0.000 1.104 208 V CB -0.934 30.726 31.823 -0.271 0.000 0.799 208 V HN 0.820 nan 8.190 nan 0.000 0.462 209 P HA 0.214 nan 4.420 nan 0.000 0.318 209 P C 1.308 178.735 177.300 0.211 0.000 1.387 209 P CA 1.174 64.324 63.100 0.083 0.000 0.865 209 P CB 0.407 32.128 31.700 0.035 0.000 2.164 210 S N -1.140 114.647 115.700 0.145 0.000 2.245 210 S HA -0.333 4.138 4.470 0.001 0.000 0.251 210 S C 2.066 176.710 174.600 0.073 0.000 1.237 210 S CA 2.521 60.778 58.200 0.095 0.000 1.807 210 S CB -2.736 60.498 63.200 0.057 0.000 2.476 210 S HN 0.564 nan 8.310 nan 0.000 0.583 211 S N 0.527 116.235 115.700 0.014 0.000 2.382 211 S HA 0.080 4.551 4.470 0.001 0.000 0.228 211 S C 1.415 175.971 174.600 -0.075 0.000 1.027 211 S CA 1.391 59.541 58.200 -0.083 0.000 0.991 211 S CB -0.669 62.405 63.200 -0.209 0.000 0.823 211 S HN 0.626 nan 8.310 nan 0.000 0.469 212 F N 1.206 121.197 119.950 0.067 0.000 2.293 212 F HA 0.072 4.600 4.527 0.001 0.000 0.300 212 F C 1.997 177.885 175.800 0.146 0.000 1.086 212 F CA 0.791 58.869 58.000 0.130 0.000 1.375 212 F CB -0.167 38.976 39.000 0.239 0.000 1.045 212 F HN 0.238 nan 8.300 nan 0.000 0.516 213 I N -0.043 120.694 120.570 0.279 0.000 2.163 213 I HA -0.293 3.878 4.170 0.001 0.000 0.240 213 I C 2.212 178.405 176.117 0.127 0.000 1.081 213 I CA 1.365 62.774 61.300 0.183 0.000 1.353 213 I CB -0.438 37.641 38.000 0.132 0.000 1.054 213 I HN 0.041 nan 8.210 nan 0.000 0.407 214 K N 0.758 121.212 120.400 0.089 0.000 2.020 214 K HA -0.260 4.061 4.320 0.001 0.000 0.212 214 K C 2.011 178.649 176.600 0.063 0.000 1.050 214 K CA 1.660 57.980 56.287 0.056 0.000 0.929 214 K CB -0.293 32.222 32.500 0.025 0.000 0.714 214 K HN 0.384 nan 8.250 nan 0.000 0.443 215 Q N 0.152 119.996 119.800 0.073 0.000 2.439 215 Q HA -0.008 4.333 4.340 0.001 0.000 0.211 215 Q C 0.737 176.809 176.000 0.119 0.000 0.978 215 Q CA 0.432 56.285 55.803 0.083 0.000 0.897 215 Q CB -0.086 28.701 28.738 0.082 0.000 0.956 215 Q HN 0.453 nan 8.270 nan 0.000 0.483 219 I N 0.993 121.726 120.570 0.272 0.000 2.692 219 I HA 0.398 4.569 4.170 0.001 0.000 0.293 219 I C -0.430 175.718 176.117 0.052 0.000 1.200 219 I CA -0.150 61.198 61.300 0.079 0.000 1.036 219 I CB 2.401 40.350 38.000 -0.085 0.000 1.258 219 I HN 0.056 nan 8.210 nan 0.000 0.421 220 T N 2.098 116.639 114.554 -0.022 0.000 2.929 220 T HA 0.258 4.609 4.350 0.001 0.000 0.284 220 T C 0.624 175.313 174.700 -0.018 0.000 1.014 220 T CA -0.394 61.708 62.100 0.004 0.000 1.051 220 T CB 1.856 70.726 68.868 0.004 0.000 1.028 220 T HN 0.656 nan 8.240 nan 0.000 0.485 221 Q N 0.936 120.743 119.800 0.012 0.000 2.152 221 Q HA -0.158 4.182 4.340 0.001 0.000 0.206 221 Q C 1.947 177.945 176.000 -0.003 0.000 0.985 221 Q CA 2.097 57.909 55.803 0.015 0.000 0.863 221 Q CB -0.478 28.276 28.738 0.027 0.000 0.904 221 Q HN 0.913 nan 8.270 nan 0.000 0.422 222 E N -0.222 119.972 120.200 -0.011 0.000 2.077 222 E HA -0.154 4.196 4.350 0.001 0.000 0.193 222 E C 0.547 177.124 176.600 -0.039 0.000 0.989 222 E CA 0.564 56.953 56.400 -0.018 0.000 0.800 222 E CB 0.030 29.720 29.700 -0.016 0.000 0.746 222 E HN 0.535 nan 8.360 nan 0.000 0.452 226 D N 1.968 122.375 120.400 0.011 0.000 2.149 226 D HA -0.145 4.496 4.640 0.001 0.000 0.201 226 D C 1.855 178.158 176.300 0.006 0.000 0.972 226 D CA 1.210 55.219 54.000 0.015 0.000 0.835 226 D CB 0.106 40.908 40.800 0.003 0.000 0.966 226 D HN 0.316 nan 8.370 nan 0.000 0.476 227 E N 1.088 121.279 120.200 -0.015 0.000 2.077 227 E HA -0.126 4.225 4.350 0.001 0.000 0.193 227 E C 2.338 178.937 176.600 -0.003 0.000 0.989 227 E CA 0.434 56.815 56.400 -0.032 0.000 0.800 227 E CB -0.182 29.485 29.700 -0.056 0.000 0.746 227 E HN 0.314 nan 8.360 nan 0.000 0.452 228 I N 0.394 120.985 120.570 0.035 0.000 2.226 228 I HA -0.260 3.911 4.170 0.001 0.000 0.245 228 I C 2.483 178.709 176.117 0.183 0.000 1.100 228 I CA 0.669 62.044 61.300 0.124 0.000 1.374 228 I CB -0.139 37.973 38.000 0.187 0.000 1.057 228 I HN -0.019 nan 8.210 nan 0.000 0.413 229 V N -0.182 119.810 119.914 0.129 0.000 2.407 229 V HA -0.329 3.791 4.120 0.001 0.000 0.248 229 V C 2.489 178.586 176.094 0.005 0.000 1.055 229 V CA 1.811 64.130 62.300 0.030 0.000 1.049 229 V CB -0.474 31.350 31.823 0.002 0.000 0.662 229 V HN 0.629 nan 8.190 nan 0.000 0.455 230 C N -0.797 118.514 119.300 0.017 0.000 2.486 230 C HA -0.113 4.347 4.460 0.001 0.000 0.279 230 C C 2.808 177.824 174.990 0.042 0.000 1.302 230 C CA 1.011 60.035 59.018 0.009 0.000 1.720 230 C CB -1.078 26.652 27.740 -0.017 0.000 2.030 230 C HN 0.737 nan 8.230 nan 0.000 0.490 231 H N 0.918 119.908 119.070 -0.134 0.000 2.319 231 H HA -0.112 4.445 4.556 0.001 0.000 0.297 231 H C 2.124 177.384 175.328 -0.113 0.000 1.097 231 H CA 2.535 58.411 56.048 -0.286 0.000 1.285 231 H CB -0.774 28.578 29.762 -0.683 0.000 1.368 231 H HN 0.424 nan 8.280 nan 0.000 0.495 232 T N 0.942 115.616 114.554 0.200 0.000 2.684 232 T HA -0.135 4.216 4.350 0.001 0.000 0.267 232 T C 2.260 177.100 174.700 0.234 0.000 1.036 232 T CA 1.730 64.049 62.100 0.366 0.000 1.148 232 T CB -0.033 68.966 68.868 0.219 0.000 0.863 232 T HN 0.418 nan 8.240 nan 0.000 0.436 233 R N 0.732 121.308 120.500 0.128 0.000 2.092 233 R HA 0.005 4.346 4.340 0.001 0.000 0.231 233 R C 1.905 178.319 176.300 0.190 0.000 1.119 233 R CA 1.202 57.362 56.100 0.100 0.000 0.970 233 R CB -0.402 29.920 30.300 0.037 0.000 0.864 233 R HN 0.511 nan 8.270 nan 0.000 0.440 234 I N -2.851 117.835 120.570 0.193 0.000 3.891 234 I HA 0.362 4.533 4.170 0.001 0.000 0.331 234 I C 1.430 177.674 176.117 0.212 0.000 1.406 234 I CA -0.187 61.236 61.300 0.206 0.000 1.139 234 I CB 0.428 38.468 38.000 0.068 0.000 1.056 234 I HN -0.131 nan 8.210 nan 0.000 0.399 235 A N 2.492 125.510 122.820 0.330 0.000 1.877 235 A HA -0.155 4.165 4.320 0.001 0.000 0.216 235 A C 2.015 179.776 177.584 0.295 0.000 1.186 235 A CA 1.936 54.190 52.037 0.361 0.000 0.620 235 A CB -1.237 18.033 19.000 0.451 0.000 0.822 235 A HN 0.831 nan 8.150 nan 0.000 0.443 236 W N 0.939 122.312 121.300 0.122 0.000 2.321 236 W HA -0.221 4.440 4.660 0.002 0.000 0.306 236 W C 1.374 177.942 176.519 0.082 0.000 1.217 236 W CA 1.742 59.146 57.345 0.099 0.000 1.257 236 W CB -1.000 28.498 29.460 0.064 0.000 1.145 236 W HN 0.314 nan 8.180 nan 0.000 0.509 237 K N 0.633 120.538 120.400 -0.825 0.000 2.057 237 K HA -0.187 4.134 4.320 0.001 0.000 0.206 237 K C 2.166 178.574 176.600 -0.320 0.000 1.050 237 K CA 1.688 57.470 56.287 -0.842 0.000 0.935 237 K CB -0.509 31.517 32.500 -0.789 0.000 0.715 237 K HN 0.186 nan 8.250 nan 0.000 0.439 238 E N 1.088 121.206 120.200 -0.137 0.000 2.070 238 E HA -0.177 4.174 4.350 0.001 0.000 0.197 238 E C 1.196 177.794 176.600 -0.004 0.000 1.004 238 E CA 1.124 57.502 56.400 -0.038 0.000 0.805 238 E CB 0.140 29.881 29.700 0.069 0.000 0.744 238 E HN -0.011 nan 8.360 nan 0.000 0.451 239 V N 2.617 122.556 119.914 0.043 0.000 3.535 239 V HA -0.134 3.987 4.120 0.001 0.000 0.276 239 V C 0.339 176.457 176.094 0.039 0.000 1.227 239 V CA 1.074 63.417 62.300 0.071 0.000 1.209 239 V CB -1.219 30.680 31.823 0.126 0.000 0.969 239 V HN 0.326 nan 8.190 nan 0.000 0.469 240 D N 0.756 121.100 120.400 -0.093 0.000 6.171 240 D HA -0.339 4.302 4.640 0.001 0.000 0.190 240 D C 1.452 177.736 176.300 -0.028 0.000 2.062 240 D CA 2.513 56.469 54.000 -0.074 0.000 0.578 240 D CB -0.566 40.175 40.800 -0.098 0.000 0.441 240 D HN 0.625 nan 8.370 nan 0.000 1.042 241 N N -0.608 118.090 118.700 -0.005 0.000 2.290 241 N HA 0.132 4.873 4.740 0.001 0.000 0.179 241 N C 1.481 177.016 175.510 0.041 0.000 1.016 241 N CA 0.331 53.393 53.050 0.019 0.000 0.871 241 N CB 0.203 38.708 38.487 0.031 0.000 0.987 241 N HN 0.216 nan 8.380 nan 0.000 0.431 242 L N 0.099 121.358 121.223 0.059 0.000 2.460 242 L HA -0.047 4.293 4.340 0.001 0.000 0.166 242 L C 1.399 178.305 176.870 0.060 0.000 1.296 242 L CA 1.136 56.031 54.840 0.092 0.000 2.800 242 L CB -0.775 41.367 42.059 0.139 0.000 2.761 242 L HN 0.391 nan 8.230 nan 0.000 0.936 243 T N -3.129 111.439 114.554 0.024 0.000 6.478 243 T HA -0.132 4.219 4.350 0.001 0.000 0.314 243 T C 0.007 174.713 174.700 0.010 0.000 1.477 243 T CA 0.764 62.871 62.100 0.011 0.000 2.503 243 T CB -2.182 66.686 68.868 0.001 0.000 2.322 243 T HN 1.416 nan 8.240 nan 0.000 1.095 244 G N -1.009 107.812 108.800 0.034 0.000 2.315 244 G HA2 0.548 4.509 3.960 0.001 0.000 0.294 244 G HA3 0.548 4.509 3.960 0.001 0.000 0.294 244 G C -0.476 174.485 174.900 0.102 0.000 1.300 244 G CA 0.214 45.343 45.100 0.048 0.000 0.843 244 G HN 1.375 nan 8.290 nan 0.000 0.527 245 T N -1.169 113.468 114.554 0.140 0.000 2.849 245 T HA 0.766 5.117 4.350 0.001 0.000 0.276 245 T C 1.011 175.866 174.700 0.258 0.000 0.971 245 T CA 0.410 62.634 62.100 0.207 0.000 0.949 245 T CB 1.201 70.230 68.868 0.268 0.000 1.093 245 T HN 2.098 nan 8.240 nan 0.000 0.545 246 A N 0.657 123.627 122.820 0.249 0.000 2.555 246 A HA 0.418 4.739 4.320 0.001 0.000 0.233 246 A C 0.327 178.056 177.584 0.242 0.000 1.060 246 A CA 0.229 52.392 52.037 0.210 0.000 0.759 246 A CB -0.698 18.410 19.000 0.179 0.000 0.995 246 A HN 1.276 nan 8.150 nan 0.000 0.506 247 Y N -1.570 118.712 120.300 -0.029 0.000 2.450 247 Y HA 0.279 4.829 4.550 0.001 0.000 0.279 247 Y C 1.301 177.130 175.900 -0.119 0.000 1.106 247 Y CA -0.212 57.816 58.100 -0.119 0.000 1.143 247 Y CB -0.254 38.065 38.460 -0.236 0.000 1.328 247 Y HN 0.386 nan 8.280 nan 0.000 0.553 248 F N 2.189 121.947 119.950 -0.320 0.000 2.031 248 F HA -0.072 4.455 4.527 0.001 0.000 0.295 248 F C 2.785 178.557 175.800 -0.046 0.000 1.133 248 F CA 2.082 59.980 58.000 -0.170 0.000 1.188 248 F CB -0.616 38.228 39.000 -0.259 0.000 0.974 248 F HN 0.211 nan 8.300 nan 0.000 0.473 249 A N 0.040 122.947 122.820 0.146 0.000 1.933 249 A HA -0.116 4.205 4.320 0.001 0.000 0.218 249 A C -0.313 177.309 177.584 0.064 0.000 1.175 249 A CA 1.596 53.684 52.037 0.084 0.000 0.628 249 A CB -1.990 17.042 19.000 0.053 0.000 0.814 249 A HN 0.232 nan 8.150 nan 0.000 0.444 250 P HA -0.149 nan 4.420 nan 0.000 0.216 250 P C 1.751 179.075 177.300 0.041 0.000 1.150 250 P CA 1.950 65.076 63.100 0.043 0.000 0.837 250 P CB -0.063 31.672 31.700 0.059 0.000 0.786 251 A N -0.052 122.810 122.820 0.069 0.000 1.873 251 A HA -0.073 4.248 4.320 0.001 0.000 0.215 251 A C 2.333 179.957 177.584 0.066 0.000 1.186 251 A CA 1.985 54.066 52.037 0.072 0.000 0.616 251 A CB -1.641 17.424 19.000 0.109 0.000 0.823 251 A HN 0.167 nan 8.150 nan 0.000 0.442 252 A N 0.067 122.933 122.820 0.075 0.000 1.892 252 A HA 0.029 4.349 4.320 0.001 0.000 0.218 252 A C 2.528 180.136 177.584 0.039 0.000 1.188 252 A CA 2.577 54.648 52.037 0.057 0.000 0.631 252 A CB -1.166 17.865 19.000 0.052 0.000 0.822 252 A HN 1.145 nan 8.150 nan 0.000 0.447 253 A N -0.242 122.597 122.820 0.030 0.000 1.883 253 A HA 0.098 4.419 4.320 0.001 0.000 0.217 253 A C 2.559 180.155 177.584 0.019 0.000 1.186 253 A CA 2.467 54.515 52.037 0.017 0.000 0.624 253 A CB -1.185 17.814 19.000 -0.000 0.000 0.822 253 A HN 1.213 nan 8.150 nan 0.000 0.444 254 A N -0.581 122.247 122.820 0.014 0.000 1.908 254 A HA -0.037 4.284 4.320 0.001 0.000 0.218 254 A C 2.233 179.840 177.584 0.038 0.000 1.181 254 A CA 1.965 54.008 52.037 0.010 0.000 0.627 254 A CB -0.997 18.002 19.000 -0.003 0.000 0.818 254 A HN 0.470 nan 8.150 nan 0.000 0.445 255 V N 0.387 120.328 119.914 0.045 0.000 2.343 255 V HA -0.235 3.886 4.120 0.001 0.000 0.247 255 V C 2.460 178.590 176.094 0.061 0.000 1.051 255 V CA 2.079 64.412 62.300 0.055 0.000 1.036 255 V CB -0.665 31.188 31.823 0.049 0.000 0.654 255 V HN 0.393 nan 8.190 nan 0.000 0.451 256 K N -0.160 120.271 120.400 0.051 0.000 2.103 256 K HA -0.085 4.236 4.320 0.001 0.000 0.207 256 K C 2.035 178.681 176.600 0.078 0.000 1.048 256 K CA 1.614 57.933 56.287 0.052 0.000 0.930 256 K CB -0.570 31.954 32.500 0.039 0.000 0.716 256 K HN 0.455 nan 8.250 nan 0.000 0.444 257 M N -0.079 119.576 119.600 0.093 0.000 2.200 257 M HA -0.059 4.422 4.480 0.001 0.000 0.265 257 M C 2.276 178.705 176.300 0.216 0.000 1.066 257 M CA 1.355 56.745 55.300 0.151 0.000 1.127 257 M CB -0.326 32.356 32.600 0.137 0.000 1.379 257 M HN 0.117 nan 8.290 nan 0.000 0.420 258 A N 0.620 123.545 122.820 0.174 0.000 1.908 258 A HA -0.207 4.114 4.320 0.001 0.000 0.218 258 A C 1.897 179.594 177.584 0.189 0.000 1.181 258 A CA 1.913 54.074 52.037 0.206 0.000 0.627 258 A CB -0.715 18.366 19.000 0.136 0.000 0.818 258 A HN 0.527 nan 8.150 nan 0.000 0.445 259 E N -0.296 119.976 120.200 0.120 0.000 2.038 259 E HA -0.141 4.209 4.350 0.001 0.000 0.195 259 E C 2.391 179.031 176.600 0.068 0.000 1.000 259 E CA 1.034 57.481 56.400 0.079 0.000 0.803 259 E CB -0.393 29.338 29.700 0.052 0.000 0.750 259 E HN 0.601 nan 8.360 nan 0.000 0.448 260 A N 0.918 123.786 122.820 0.079 0.000 1.915 260 A HA -0.283 4.038 4.320 0.001 0.000 0.220 260 A C 2.094 179.691 177.584 0.020 0.000 1.198 260 A CA 2.012 54.081 52.037 0.052 0.000 0.647 260 A CB -0.947 18.100 19.000 0.079 0.000 0.825 260 A HN 0.434 nan 8.150 nan 0.000 0.456 261 Y N 0.223 120.466 120.300 -0.095 0.000 2.109 261 Y HA -0.074 4.476 4.550 0.001 0.000 0.285 261 Y C 2.019 177.843 175.900 -0.127 0.000 1.131 261 Y CA 1.890 59.850 58.100 -0.233 0.000 1.121 261 Y CB -0.453 37.781 38.460 -0.377 0.000 0.987 261 Y HN 0.191 nan 8.280 nan 0.000 0.495 262 L N 0.044 121.236 121.223 -0.051 0.000 2.353 262 L HA -0.174 4.167 4.340 0.001 0.000 0.220 262 L C 1.589 178.386 176.870 -0.121 0.000 1.133 262 L CA 1.484 56.262 54.840 -0.103 0.000 0.798 262 L CB -0.357 41.731 42.059 0.049 0.000 0.922 262 L HN 0.168 nan 8.230 nan 0.000 0.445 263 K N -0.888 119.454 120.400 -0.095 0.000 2.413 263 K HA 0.046 4.366 4.320 0.001 0.000 0.204 263 K C -0.079 176.464 176.600 -0.095 0.000 1.041 263 K CA -0.107 56.133 56.287 -0.077 0.000 1.082 263 K CB 0.482 32.961 32.500 -0.035 0.000 0.871 263 K HN -0.076 nan 8.250 nan 0.000 0.535 264 D N 1.820 122.130 120.400 -0.149 0.000 2.701 264 D HA -0.196 4.445 4.640 0.001 0.000 0.235 264 D C 0.510 176.763 176.300 -0.079 0.000 1.155 264 D CA 0.843 54.758 54.000 -0.141 0.000 0.649 264 D CB -0.524 40.194 40.800 -0.137 0.000 1.050 264 D HN 0.206 nan 8.370 nan 0.000 0.425 265 K N 0.363 120.729 120.400 -0.056 0.000 2.103 265 K HA -0.158 4.163 4.320 0.001 0.000 0.207 265 K C 0.818 177.405 176.600 -0.021 0.000 1.048 265 K CA 1.312 57.582 56.287 -0.028 0.000 0.930 265 K CB 0.031 32.525 32.500 -0.010 0.000 0.716 265 K HN 0.174 nan 8.250 nan 0.000 0.444 266 K N -1.274 119.114 120.400 -0.021 0.000 3.218 266 K HA -0.142 4.179 4.320 0.001 0.000 0.276 266 K C -0.601 176.001 176.600 0.004 0.000 1.173 266 K CA 0.838 57.120 56.287 -0.009 0.000 0.812 266 K CB -2.631 29.862 32.500 -0.011 0.000 1.275 266 K HN 0.352 nan 8.250 nan 0.000 0.504 267 A N 0.261 123.087 122.820 0.011 0.000 2.388 267 A HA 0.440 4.761 4.320 0.001 0.000 0.257 267 A C 0.706 178.307 177.584 0.029 0.000 1.095 267 A CA -0.372 51.677 52.037 0.020 0.000 0.791 267 A CB 0.691 19.707 19.000 0.027 0.000 1.029 267 A HN 0.134 nan 8.150 nan 0.000 0.489 268 V N 3.797 123.727 119.914 0.026 0.000 2.356 268 V HA 0.221 4.342 4.120 0.001 0.000 0.258 268 V C -0.143 175.973 176.094 0.037 0.000 1.065 268 V CA -0.044 62.274 62.300 0.030 0.000 0.935 268 V CB 0.241 32.079 31.823 0.025 0.000 1.061 268 V HN 0.529 nan 8.190 nan 0.000 0.484 269 V N 8.482 128.424 119.914 0.047 0.000 2.409 269 V HA 0.408 4.529 4.120 0.001 0.000 0.291 269 V C -2.169 173.954 176.094 0.049 0.000 1.020 269 V CA -1.864 60.468 62.300 0.053 0.000 0.848 269 V CB 2.304 34.171 31.823 0.073 0.000 0.990 269 V HN 0.655 nan 8.190 nan 0.000 0.430 270 P HA 0.374 nan 4.420 nan 0.000 0.287 270 P C -0.722 176.593 177.300 0.025 0.000 1.307 270 P CA -0.023 63.094 63.100 0.029 0.000 0.777 270 P CB 0.976 32.696 31.700 0.033 0.000 0.883 271 C N 0.315 119.630 119.300 0.025 0.000 3.321 271 C HA 0.595 5.056 4.460 0.001 0.000 0.329 271 C C 0.164 175.178 174.990 0.041 0.000 1.394 271 C CA -0.959 58.075 59.018 0.028 0.000 1.291 271 C CB 1.263 29.031 27.740 0.047 0.000 1.606 271 C HN 0.494 nan 8.230 nan 0.000 0.463 272 S N 1.091 116.826 115.700 0.058 0.000 2.465 272 S HA 0.588 5.059 4.470 0.001 0.000 0.280 272 S C 0.126 174.871 174.600 0.242 0.000 1.232 272 S CA 0.593 58.868 58.200 0.125 0.000 1.066 272 S CB -0.749 62.528 63.200 0.128 0.000 0.929 272 S HN 1.978 nan 8.310 nan 0.000 0.494 273 A N 4.485 127.411 122.820 0.178 0.000 2.532 273 A HA 0.678 4.999 4.320 0.001 0.000 0.290 273 A C -0.886 176.520 177.584 -0.298 0.000 1.143 273 A CA -0.861 51.245 52.037 0.115 0.000 0.728 273 A CB 0.716 19.770 19.000 0.089 0.000 1.317 273 A HN 0.878 nan 8.150 nan 0.000 0.414 274 F N 1.631 121.113 119.950 -0.779 0.000 2.541 274 F HA 0.327 4.856 4.527 0.002 0.000 0.347 274 F C 0.377 175.969 175.800 -0.348 0.000 1.242 274 F CA -0.198 57.271 58.000 -0.885 0.000 1.123 274 F CB -0.005 38.551 39.000 -0.741 0.000 1.354 274 F HN 0.523 nan 8.300 nan 0.000 0.621 275 C N 6.123 125.090 119.300 -0.555 0.000 2.252 275 C HA 0.385 4.846 4.460 0.001 0.000 0.342 275 C C 0.777 175.476 174.990 -0.485 0.000 1.110 275 C CA -0.103 58.717 59.018 -0.329 0.000 1.581 275 C CB -1.860 25.796 27.740 -0.139 0.000 2.087 275 C HN 0.849 nan 8.230 nan 0.000 0.500 276 S N 4.047 119.465 115.700 -0.470 0.000 2.384 276 S HA 0.377 4.847 4.470 0.001 0.000 0.227 276 S C 0.024 174.497 174.600 -0.212 0.000 1.257 276 S CA -0.376 57.568 58.200 -0.427 0.000 1.249 276 S CB -0.367 62.495 63.200 -0.563 0.000 1.018 276 S HN 0.853 nan 8.310 nan 0.000 0.478 277 N N 0.740 119.334 118.700 -0.177 0.000 3.361 277 N HA -0.018 4.723 4.740 0.001 0.000 0.153 277 N C -1.552 173.653 175.510 -0.509 0.000 1.094 277 N CA 0.035 52.911 53.050 -0.291 0.000 2.730 277 N CB 0.045 38.336 38.487 -0.327 0.000 1.175 277 N HN 0.624 nan 8.380 nan 0.000 0.776 278 H N -0.600 118.455 119.070 -0.024 0.000 2.980 278 H HA 0.237 4.794 4.556 0.001 0.000 0.367 278 H C -0.058 175.340 175.328 0.118 0.000 1.206 278 H CA -0.126 55.915 56.048 -0.011 0.000 1.126 278 H CB 0.925 30.735 29.762 0.080 0.000 1.838 278 H HN 0.047 nan 8.280 nan 0.000 0.552 279 Y N -0.139 120.216 120.300 0.092 0.000 4.236 279 Y HA -0.251 4.300 4.550 0.001 0.000 0.220 279 Y C 1.434 177.335 175.900 0.000 0.000 1.115 279 Y CA 1.405 59.525 58.100 0.034 0.000 1.811 279 Y CB -1.877 36.598 38.460 0.024 0.000 1.581 279 Y HN 1.119 nan 8.280 nan 0.000 0.643 280 G N -0.873 107.969 108.800 0.070 0.000 2.225 280 G HA2 -0.013 3.948 3.960 0.001 0.000 0.264 280 G HA3 -0.013 3.948 3.960 0.001 0.000 0.264 280 G C -0.173 174.741 174.900 0.022 0.000 1.060 280 G CA 0.276 45.393 45.100 0.028 0.000 0.833 280 G HN 1.488 nan 8.290 nan 0.000 0.498 281 V N -3.393 116.530 119.914 0.014 0.000 2.876 281 V HA 0.881 5.002 4.120 0.001 0.000 0.312 281 V C 0.778 176.826 176.094 -0.076 0.000 1.085 281 V CA -0.316 61.969 62.300 -0.025 0.000 0.945 281 V CB 1.884 33.690 31.823 -0.029 0.000 1.017 281 V HN 0.453 nan 8.190 nan 0.000 0.428 282 K N 2.124 122.469 120.400 -0.091 0.000 2.367 282 K HA 0.703 5.023 4.320 0.001 0.000 0.194 282 K C 0.589 177.067 176.600 -0.203 0.000 1.027 282 K CA 0.548 56.765 56.287 -0.117 0.000 1.075 282 K CB 0.764 33.227 32.500 -0.062 0.000 0.845 282 K HN 1.524 nan 8.250 nan 0.000 0.529 286 Y N 6.711 127.073 120.300 0.103 0.000 2.336 286 Y HA 0.644 5.194 4.550 0.001 0.000 0.335 286 Y C 0.507 176.425 175.900 0.029 0.000 1.046 286 Y CA 0.248 58.412 58.100 0.106 0.000 1.198 286 Y CB 1.226 39.778 38.460 0.154 0.000 1.182 286 Y HN 0.516 nan 8.280 nan 0.000 0.502 287 M N 0.725 120.381 119.600 0.094 0.000 2.833 287 M HA 0.616 5.097 4.480 0.001 0.000 0.270 287 M C -0.543 175.745 176.300 -0.020 0.000 1.209 287 M CA -1.187 54.128 55.300 0.026 0.000 0.826 287 M CB 1.269 33.845 32.600 -0.040 0.000 1.657 287 M HN 0.573 nan 8.290 nan 0.000 0.492 288 G N 1.621 110.397 108.800 -0.041 0.000 2.346 288 G HA2 0.504 4.465 3.960 0.001 0.000 0.275 288 G HA3 0.504 4.465 3.960 0.001 0.000 0.275 288 G C -0.347 174.463 174.900 -0.150 0.000 1.190 288 G CA -0.006 45.058 45.100 -0.059 0.000 1.015 288 G HN 1.171 nan 8.290 nan 0.000 0.441 289 V N 0.711 120.549 119.914 -0.127 0.000 3.114 289 V HA 0.732 4.852 4.120 0.001 0.000 0.308 289 V C -2.948 173.113 176.094 -0.055 0.000 1.168 289 V CA -3.066 59.122 62.300 -0.186 0.000 1.015 289 V CB 2.379 34.071 31.823 -0.219 0.000 1.050 289 V HN 0.364 nan 8.190 nan 0.000 0.433 290 P HA 0.387 nan 4.420 nan 0.000 0.276 290 P C -0.223 177.090 177.300 0.021 0.000 1.253 290 P CA 0.404 63.521 63.100 0.028 0.000 0.766 290 P CB 0.670 32.406 31.700 0.060 0.000 0.845 291 T N 1.072 115.645 114.554 0.031 0.000 2.905 291 T HA 0.728 5.078 4.350 0.001 0.000 0.283 291 T C -0.325 174.401 174.700 0.043 0.000 1.031 291 T CA -0.857 61.266 62.100 0.039 0.000 1.002 291 T CB 1.006 69.917 68.868 0.071 0.000 1.200 291 T HN 0.089 nan 8.240 nan 0.000 0.560 292 I N 1.161 121.759 120.570 0.047 0.000 2.468 292 I HA 0.407 4.578 4.170 0.001 0.000 0.284 292 I C -0.923 175.224 176.117 0.050 0.000 1.038 292 I CA -0.829 60.494 61.300 0.039 0.000 1.083 292 I CB 1.554 39.570 38.000 0.026 0.000 1.223 292 I HN 0.551 nan 8.210 nan 0.000 0.443 293 I N 5.342 125.942 120.570 0.050 0.000 2.354 293 I HA 0.609 4.780 4.170 0.001 0.000 0.292 293 I C 0.656 176.766 176.117 -0.013 0.000 0.989 293 I CA -0.043 61.280 61.300 0.038 0.000 1.188 293 I CB 1.790 39.841 38.000 0.085 0.000 1.342 293 I HN 0.657 nan 8.210 nan 0.000 0.457 294 G N 4.241 113.011 108.800 -0.051 0.000 3.166 294 G HA2 0.281 4.242 3.960 0.001 0.000 0.267 294 G HA3 0.281 4.242 3.960 0.001 0.000 0.267 294 G C 0.306 175.071 174.900 -0.224 0.000 1.256 294 G CA -0.543 44.495 45.100 -0.105 0.000 0.859 294 G HN 0.637 nan 8.290 nan 0.000 0.590 295 K N -0.537 119.692 120.400 -0.286 0.000 2.442 295 K HA 0.047 4.368 4.320 0.001 0.000 0.198 295 K C 0.228 176.666 176.600 -0.271 0.000 1.042 295 K CA 0.871 56.865 56.287 -0.488 0.000 0.958 295 K CB 0.080 32.395 32.500 -0.309 0.000 0.766 295 K HN 0.169 nan 8.250 nan 0.000 0.474 296 N N 1.302 119.961 118.700 -0.069 0.000 2.458 296 N HA 0.111 4.852 4.740 0.001 0.000 0.274 296 N C 0.407 175.979 175.510 0.104 0.000 1.242 296 N CA 0.639 53.729 53.050 0.066 0.000 0.904 296 N CB 1.064 39.574 38.487 0.039 0.000 1.206 296 N HN 0.461 nan 8.380 nan 0.000 0.510 297 G N 0.367 109.206 108.800 0.065 0.000 2.583 297 G HA2 -0.332 3.629 3.960 0.001 0.000 0.292 297 G HA3 -0.332 3.629 3.960 0.001 0.000 0.292 297 G C -0.193 174.736 174.900 0.049 0.000 1.203 297 G CA -0.047 44.945 45.100 -0.180 0.000 0.987 297 G HN 0.150 nan 8.290 nan 0.000 0.554 298 V N 2.584 122.644 119.914 0.244 0.000 2.381 298 V HA 0.330 4.450 4.120 0.001 0.000 0.257 298 V C 0.862 177.037 176.094 0.135 0.000 1.057 298 V CA 0.582 63.001 62.300 0.198 0.000 1.013 298 V CB 0.349 32.311 31.823 0.231 0.000 1.069 298 V HN 0.591 nan 8.190 nan 0.000 0.484 302 I N 1.712 122.256 120.570 -0.044 0.000 2.498 302 I HA 0.390 4.560 4.170 0.001 0.000 0.290 302 I C -0.303 175.654 176.117 -0.266 0.000 1.032 302 I CA -0.853 60.358 61.300 -0.149 0.000 1.073 302 I CB 1.715 39.584 38.000 -0.218 0.000 1.251 302 I HN 0.234 nan 8.210 nan 0.000 0.426 303 L N 4.811 125.957 121.223 -0.128 0.000 2.357 303 L HA 0.422 4.763 4.340 0.001 0.000 0.273 303 L C 0.050 176.874 176.870 -0.076 0.000 1.080 303 L CA -0.438 54.347 54.840 -0.092 0.000 0.803 303 L CB 1.254 43.308 42.059 -0.008 0.000 1.174 303 L HN 0.591 nan 8.230 nan 0.000 0.443 304 E N 2.714 122.837 120.200 -0.129 0.000 2.113 304 E HA 0.372 4.723 4.350 0.001 0.000 0.273 304 E C -1.049 175.494 176.600 -0.095 0.000 0.924 304 E CA -0.542 55.711 56.400 -0.247 0.000 0.764 304 E CB 1.060 30.584 29.700 -0.295 0.000 1.104 304 E HN 0.443 nan 8.360 nan 0.000 0.406 305 L N 3.704 124.953 121.223 0.044 0.000 2.397 305 L HA 0.148 4.488 4.340 0.001 0.000 0.271 305 L C 0.228 177.125 176.870 0.046 0.000 1.148 305 L CA -0.274 54.627 54.840 0.101 0.000 0.825 305 L CB 0.702 42.888 42.059 0.211 0.000 1.117 305 L HN 0.667 nan 8.230 nan 0.000 0.456 306 D N 3.884 124.308 120.400 0.040 0.000 2.398 306 D HA 0.249 4.890 4.640 0.001 0.000 0.250 306 D C -0.465 175.868 176.300 0.054 0.000 1.287 306 D CA -0.037 53.980 54.000 0.028 0.000 0.992 306 D CB 0.140 40.955 40.800 0.025 0.000 1.071 306 D HN 0.220 nan 8.370 nan 0.000 0.514 307 L N 2.620 123.879 121.223 0.060 0.000 2.379 307 L HA 0.415 4.756 4.340 0.001 0.000 0.269 307 L C 1.162 178.065 176.870 0.054 0.000 1.084 307 L CA -0.921 53.965 54.840 0.077 0.000 0.802 307 L CB 1.562 43.688 42.059 0.112 0.000 1.175 307 L HN 0.367 nan 8.230 nan 0.000 0.448 308 T N -1.621 112.966 114.554 0.055 0.000 2.899 308 T HA 0.293 4.644 4.350 0.001 0.000 0.284 308 T C -1.983 172.740 174.700 0.039 0.000 1.004 308 T CA -1.786 60.339 62.100 0.043 0.000 1.043 308 T CB 1.620 70.514 68.868 0.044 0.000 1.013 308 T HN 0.300 nan 8.240 nan 0.000 0.518 309 P HA -0.141 nan 4.420 nan 0.000 0.215 309 P C 1.775 179.091 177.300 0.027 0.000 1.163 309 P CA 0.600 63.715 63.100 0.026 0.000 0.894 309 P CB -0.098 31.615 31.700 0.020 0.000 0.791 310 L N 0.347 121.585 121.223 0.026 0.000 1.990 310 L HA -0.238 4.103 4.340 0.001 0.000 0.213 310 L C 2.044 178.930 176.870 0.026 0.000 1.072 310 L CA 2.008 56.862 54.840 0.024 0.000 0.755 310 L CB -1.532 40.542 42.059 0.024 0.000 0.889 310 L HN -0.003 nan 8.230 nan 0.000 0.432 311 E N -0.889 119.331 120.200 0.034 0.000 2.058 311 E HA -0.290 4.061 4.350 0.001 0.000 0.194 311 E C 2.142 178.768 176.600 0.043 0.000 0.997 311 E CA 1.626 58.049 56.400 0.038 0.000 0.801 311 E CB -0.304 29.428 29.700 0.053 0.000 0.746 311 E HN 0.672 nan 8.360 nan 0.000 0.450 312 Q N 0.665 120.495 119.800 0.050 0.000 2.197 312 Q HA -0.219 4.122 4.340 0.001 0.000 0.207 312 Q C 2.172 178.196 176.000 0.041 0.000 0.984 312 Q CA 1.281 57.119 55.803 0.057 0.000 0.869 312 Q CB -0.164 28.604 28.738 0.050 0.000 0.906 312 Q HN 0.160 nan 8.270 nan 0.000 0.426 313 K N 1.061 121.478 120.400 0.029 0.000 2.007 313 K HA -0.127 4.194 4.320 0.001 0.000 0.206 313 K C 2.074 178.683 176.600 0.014 0.000 1.047 313 K CA 0.763 57.062 56.287 0.020 0.000 0.937 313 K CB -0.079 32.431 32.500 0.016 0.000 0.718 313 K HN 0.114 nan 8.250 nan 0.000 0.438 314 L N 1.193 122.423 121.223 0.012 0.000 2.013 314 L HA -0.246 4.095 4.340 0.001 0.000 0.212 314 L C 2.598 179.467 176.870 -0.002 0.000 1.073 314 L CA 0.834 55.675 54.840 0.002 0.000 0.753 314 L CB -0.608 41.450 42.059 -0.002 0.000 0.890 314 L HN 0.288 nan 8.230 nan 0.000 0.432 315 L N 0.389 121.615 121.223 0.006 0.000 2.012 315 L HA -0.113 4.228 4.340 0.001 0.000 0.210 315 L C 2.382 179.252 176.870 0.000 0.000 1.073 315 L CA 2.234 57.073 54.840 -0.001 0.000 0.748 315 L CB -1.222 40.851 42.059 0.023 0.000 0.891 315 L HN 0.164 nan 8.230 nan 0.000 0.431 316 G N -1.307 107.501 108.800 0.013 0.000 2.462 316 G HA2 -0.228 3.733 3.960 0.001 0.000 0.220 316 G HA3 -0.228 3.733 3.960 0.001 0.000 0.220 316 G C 1.392 176.293 174.900 0.002 0.000 1.121 316 G CA 0.833 45.940 45.100 0.011 0.000 0.758 316 G HN 0.580 nan 8.290 nan 0.000 0.559 317 E N 0.299 120.498 120.200 -0.002 0.000 2.076 317 E HA -0.067 4.284 4.350 0.001 0.000 0.190 317 E C 2.643 179.236 176.600 -0.013 0.000 0.979 317 E CA 0.848 57.245 56.400 -0.006 0.000 0.807 317 E CB -0.229 29.467 29.700 -0.007 0.000 0.761 317 E HN 0.377 nan 8.360 nan 0.000 0.454 318 S N 0.943 116.631 115.700 -0.019 0.000 2.370 318 S HA -0.163 4.308 4.470 0.001 0.000 0.226 318 S C 2.048 176.635 174.600 -0.023 0.000 1.033 318 S CA 0.893 59.076 58.200 -0.028 0.000 1.011 318 S CB -0.260 62.917 63.200 -0.038 0.000 0.852 318 S HN 0.169 nan 8.310 nan 0.000 0.457 319 I N 2.022 122.581 120.570 -0.017 0.000 2.099 319 I HA -0.250 3.920 4.170 0.001 0.000 0.239 319 I C 2.278 178.393 176.117 -0.004 0.000 1.066 319 I CA 1.420 62.714 61.300 -0.010 0.000 1.324 319 I CB -0.726 37.271 38.000 -0.006 0.000 1.037 319 I HN 0.334 nan 8.210 nan 0.000 0.401 320 N N 0.782 119.480 118.700 -0.003 0.000 2.094 320 N HA -0.266 4.475 4.740 0.001 0.000 0.191 320 N C 1.754 177.261 175.510 -0.005 0.000 1.023 320 N CA 1.554 54.603 53.050 -0.001 0.000 0.857 320 N CB -0.491 37.995 38.487 -0.000 0.000 1.013 320 N HN 0.495 nan 8.380 nan 0.000 0.426 321 E N 0.850 121.042 120.200 -0.013 0.000 2.118 321 E HA -0.131 4.220 4.350 0.001 0.000 0.195 321 E C 1.767 178.353 176.600 -0.023 0.000 0.992 321 E CA 0.898 57.285 56.400 -0.022 0.000 0.804 321 E CB 0.165 29.846 29.700 -0.032 0.000 0.741 321 E HN 0.042 nan 8.360 nan 0.000 0.458 322 V N 1.770 121.675 119.914 -0.014 0.000 2.307 322 V HA -0.243 3.878 4.120 0.001 0.000 0.245 322 V C 2.055 178.154 176.094 0.008 0.000 1.045 322 V CA 1.854 64.152 62.300 -0.004 0.000 1.024 322 V CB -0.600 31.230 31.823 0.012 0.000 0.651 322 V HN 0.364 nan 8.190 nan 0.000 0.449 323 N N -0.008 118.700 118.700 0.014 0.000 2.205 323 N HA -0.142 4.599 4.740 0.001 0.000 0.186 323 N C 1.823 177.342 175.510 0.015 0.000 1.015 323 N CA 1.899 54.963 53.050 0.022 0.000 0.862 323 N CB -0.353 38.147 38.487 0.022 0.000 0.986 323 N HN 0.481 nan 8.380 nan 0.000 0.429 324 T N 2.383 116.939 114.554 0.003 0.000 2.639 324 T HA -0.006 4.345 4.350 0.001 0.000 0.261 324 T C 1.973 176.666 174.700 -0.011 0.000 1.053 324 T CA 0.546 62.645 62.100 -0.002 0.000 1.158 324 T CB -0.084 68.778 68.868 -0.009 0.000 0.863 324 T HN 0.061 nan 8.240 nan 0.000 0.413 325 I N 1.705 122.257 120.570 -0.032 0.000 2.423 325 I HA -0.110 4.061 4.170 0.001 0.000 0.254 325 I C 2.585 178.672 176.117 -0.049 0.000 1.151 325 I CA 1.119 62.381 61.300 -0.062 0.000 1.421 325 I CB -1.563 36.386 38.000 -0.085 0.000 1.079 325 I HN 0.250 nan 8.210 nan 0.000 0.431 326 S N 0.128 115.820 115.700 -0.013 0.000 2.436 326 S HA -0.131 4.340 4.470 0.001 0.000 0.228 326 S C 1.984 176.603 174.600 0.031 0.000 1.014 326 S CA 0.946 59.154 58.200 0.013 0.000 0.950 326 S CB 0.131 63.355 63.200 0.040 0.000 0.784 326 S HN 0.274 nan 8.310 nan 0.000 0.504 327 K N 0.924 121.341 120.400 0.029 0.000 2.076 327 K HA 0.168 4.489 4.320 0.001 0.000 0.204 327 K C 1.813 178.445 176.600 0.053 0.000 1.051 327 K CA 1.199 57.510 56.287 0.041 0.000 0.949 327 K CB -0.583 31.937 32.500 0.033 0.000 0.726 327 K HN 0.218 nan 8.250 nan 0.000 0.443 328 V N 1.400 121.340 119.914 0.044 0.000 2.453 328 V HA -0.251 3.870 4.120 0.001 0.000 0.252 328 V C 2.167 178.354 176.094 0.155 0.000 1.068 328 V CA 1.694 64.042 62.300 0.081 0.000 1.070 328 V CB -0.519 31.318 31.823 0.023 0.000 0.664 328 V HN 0.292 nan 8.190 nan 0.000 0.461 329 L N 0.332 121.610 121.223 0.091 0.000 2.027 329 L HA -0.119 4.221 4.340 0.001 0.000 0.206 329 L C 2.201 179.152 176.870 0.135 0.000 1.074 329 L CA 1.996 56.918 54.840 0.136 0.000 0.745 329 L CB -0.866 41.205 42.059 0.019 0.000 0.898 329 L HN 0.297 nan 8.230 nan 0.000 0.433 330 D N 0.034 120.489 120.400 0.093 0.000 2.190 330 D HA -0.154 4.487 4.640 0.001 0.000 0.200 330 D C 0.278 176.621 176.300 0.071 0.000 0.992 330 D CA 1.090 55.137 54.000 0.079 0.000 0.854 330 D CB -0.294 40.546 40.800 0.066 0.000 0.936 330 D HN 0.446 nan 8.370 nan 0.000 0.462 331 N N 0.570 119.319 118.700 0.082 0.000 2.936 331 N HA 0.458 5.199 4.740 0.001 0.000 0.243 331 N C -0.727 174.828 175.510 0.074 0.000 1.149 331 N CA -0.054 53.033 53.050 0.061 0.000 0.914 331 N CB 1.712 40.231 38.487 0.053 0.000 1.179 331 N HN -0.006 nan 8.380 nan 0.000 0.502 332 A N 1.591 124.424 122.820 0.022 0.000 2.530 332 A HA 0.807 5.128 4.320 0.001 0.000 0.288 332 A C -2.010 175.449 177.584 -0.208 0.000 1.172 332 A CA -0.922 51.039 52.037 -0.127 0.000 0.733 332 A CB 0.346 19.325 19.000 -0.036 0.000 1.320 332 A HN 0.318 nan 8.150 nan 0.000 0.419 333 P HA 0.000 nan 4.420 nan 0.000 0.216 333 P CA 0.000 62.951 63.100 -0.249 0.000 0.800 333 P CB 0.000 31.507 31.700 -0.322 0.000 0.726