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 1ju6_1_A DATA FIRST_RESID 28 DATA SEQUENCE HGELQYLGQI QHILRCGVEK DDRTGTGTLS VFGMQARYSL RDEFPLLTTK DATA SEQUENCE RVFWKGVLEE LLWFIKGSTN AKELSSKGVK IWDANGSRDF LDSLGFSTRE DATA SEQUENCE EGDLGPVYGF QWRHFGAEYR DMESDYSGQG VDQLQRVIDT IKTNPDDRRI DATA SEQUENCE IMCAWNPRDL PLMALPPCHA LCQFYVVNSE LSCQLYQRSG DMGLGVPFNI DATA SEQUENCE ASYALLTYMI AHITGLKPGD FIHTLGDAHI YLNHIEPLKI QLQREPRPFP DATA SEQUENCE KLRILRKVEK IDDFKAEDFQ IEGYNPHPTI KMEMAV 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 28 H HA 0.000 nan 4.556 nan 0.000 0.296 28 H C 0.000 175.349 175.328 0.034 0.000 0.993 28 H CA 0.000 56.044 56.048 -0.006 0.000 1.023 28 H CB 0.000 29.738 29.762 -0.039 0.000 1.292 29 G N -0.425 108.741 108.800 0.610 0.000 2.411 29 G HA2 -0.136 3.616 3.960 -0.346 0.000 0.213 29 G HA3 -0.136 3.616 3.960 -0.346 0.000 0.213 29 G C 1.233 176.424 174.900 0.486 0.000 1.166 29 G CA 0.751 46.174 45.100 0.538 0.000 0.802 29 G HN 0.618 nan 8.290 nan 0.000 0.533 30 E N -0.080 120.317 120.200 0.329 0.000 2.396 30 E HA -0.004 4.139 4.350 -0.346 0.000 0.200 30 E C 2.271 178.943 176.600 0.121 0.000 1.023 30 E CA 0.139 56.687 56.400 0.247 0.000 0.857 30 E CB -0.140 29.560 29.700 -0.000 0.000 0.775 30 E HN 0.431 nan 8.360 nan 0.000 0.525 31 L N 0.157 121.349 121.223 -0.052 0.000 2.156 31 L HA -0.175 3.958 4.340 -0.346 0.000 0.208 31 L C 2.467 179.360 176.870 0.038 0.000 1.095 31 L CA 0.921 55.735 54.840 -0.043 0.000 0.770 31 L CB -0.241 41.759 42.059 -0.098 0.000 0.914 31 L HN 0.220 nan 8.230 nan 0.000 0.439 32 Q N -0.928 118.926 119.800 0.090 0.000 2.084 32 Q HA -0.270 3.863 4.340 -0.346 0.000 0.202 32 Q C 2.057 178.159 176.000 0.170 0.000 0.978 32 Q CA 2.134 57.976 55.803 0.065 0.000 0.844 32 Q CB -0.262 28.438 28.738 -0.063 0.000 0.898 32 Q HN 0.528 nan 8.270 nan 0.000 0.426 33 Y N 1.127 121.554 120.300 0.212 0.000 2.089 33 Y HA -0.235 4.105 4.550 -0.349 0.000 0.282 33 Y C 1.936 177.908 175.900 0.120 0.000 1.139 33 Y CA 1.338 59.570 58.100 0.220 0.000 1.123 33 Y CB -0.164 38.462 38.460 0.276 0.000 0.980 33 Y HN -0.003 nan 8.280 nan 0.000 0.493 34 L N 0.227 121.380 121.223 -0.116 0.000 2.129 34 L HA -0.242 3.890 4.340 -0.346 0.000 0.212 34 L C 2.697 179.465 176.870 -0.170 0.000 1.087 34 L CA 1.304 56.008 54.840 -0.228 0.000 0.757 34 L CB -1.199 40.819 42.059 -0.067 0.000 0.896 34 L HN 0.497 nan 8.230 nan 0.000 0.434 35 G N -0.797 107.952 108.800 -0.084 0.000 2.404 35 G HA2 -0.235 3.517 3.960 -0.346 0.000 0.215 35 G HA3 -0.235 3.517 3.960 -0.346 0.000 0.215 35 G C 1.484 176.359 174.900 -0.042 0.000 1.174 35 G CA 0.352 45.424 45.100 -0.047 0.000 0.780 35 G HN 0.415 nan 8.290 nan 0.000 0.537 36 Q N -0.217 119.540 119.800 -0.073 0.000 2.124 36 Q HA -0.042 4.090 4.340 -0.346 0.000 0.202 36 Q C 2.595 178.554 176.000 -0.068 0.000 0.977 36 Q CA 0.791 56.556 55.803 -0.064 0.000 0.850 36 Q CB -0.181 28.531 28.738 -0.044 0.000 0.901 36 Q HN 0.374 nan 8.270 nan 0.000 0.429 37 I N 1.000 121.452 120.570 -0.196 0.000 2.179 37 I HA -0.288 3.674 4.170 -0.346 0.000 0.242 37 I C 2.457 178.534 176.117 -0.068 0.000 1.088 37 I CA 1.596 62.792 61.300 -0.174 0.000 1.357 37 I CB -1.065 36.750 38.000 -0.309 0.000 1.051 37 I HN 0.381 nan 8.210 nan 0.000 0.409 38 Q N -0.190 119.574 119.800 -0.060 0.000 2.046 38 Q HA -0.251 3.881 4.340 -0.346 0.000 0.200 38 Q C 2.492 178.498 176.000 0.011 0.000 0.975 38 Q CA 1.429 57.216 55.803 -0.026 0.000 0.836 38 Q CB -0.217 28.503 28.738 -0.030 0.000 0.896 38 Q HN 0.491 nan 8.270 nan 0.000 0.428 39 H N 0.662 119.700 119.070 -0.054 0.000 2.319 39 H HA -0.150 4.201 4.556 -0.341 0.000 0.297 39 H C 1.977 177.288 175.328 -0.028 0.000 1.097 39 H CA 1.934 57.959 56.048 -0.038 0.000 1.285 39 H CB -0.218 29.520 29.762 -0.040 0.000 1.368 39 H HN 0.328 nan 8.280 nan 0.000 0.495 40 I N 0.436 121.118 120.570 0.187 0.000 2.226 40 I HA -0.298 3.664 4.170 -0.346 0.000 0.245 40 I C 2.733 178.871 176.117 0.036 0.000 1.100 40 I CA 0.815 62.190 61.300 0.125 0.000 1.374 40 I CB -0.241 37.804 38.000 0.076 0.000 1.057 40 I HN 0.192 nan 8.210 nan 0.000 0.413 41 L N -0.085 121.144 121.223 0.010 0.000 2.027 41 L HA -0.176 3.957 4.340 -0.346 0.000 0.206 41 L C 2.850 179.702 176.870 -0.031 0.000 1.074 41 L CA 1.143 55.980 54.840 -0.006 0.000 0.745 41 L CB -0.539 41.515 42.059 -0.008 0.000 0.898 41 L HN 0.187 nan 8.230 nan 0.000 0.433 42 R N -0.127 120.333 120.500 -0.066 0.000 2.057 42 R HA -0.068 4.064 4.340 -0.346 0.000 0.229 42 R C 2.235 178.474 176.300 -0.102 0.000 1.136 42 R CA 1.846 57.894 56.100 -0.086 0.000 0.952 42 R CB -1.115 29.118 30.300 -0.111 0.000 0.848 42 R HN 0.459 nan 8.270 nan 0.000 0.430 43 C N -0.676 118.522 119.300 -0.170 0.000 2.527 43 C HA 0.347 4.599 4.460 -0.346 0.000 0.280 43 C C 1.593 176.550 174.990 -0.056 0.000 1.353 43 C CA -0.829 58.100 59.018 -0.147 0.000 1.749 43 C CB -1.319 26.251 27.740 -0.283 0.000 2.088 43 C HN 0.398 nan 8.230 nan 0.000 0.508 44 G N 1.636 110.424 108.800 -0.020 0.000 2.238 44 G HA2 0.321 4.074 3.960 -0.346 0.000 0.234 44 G HA3 0.321 4.074 3.960 -0.346 0.000 0.234 44 G C -0.204 174.708 174.900 0.021 0.000 1.181 44 G CA 0.308 45.429 45.100 0.036 0.000 0.871 44 G HN 0.345 nan 8.290 nan 0.000 0.490 45 V N 2.557 122.489 119.914 0.029 0.000 2.567 45 V HA 0.212 4.124 4.120 -0.346 0.000 0.289 45 V C 0.723 176.827 176.094 0.016 0.000 1.049 45 V CA -0.718 61.592 62.300 0.017 0.000 0.969 45 V CB 1.651 33.483 31.823 0.015 0.000 0.995 45 V HN 0.878 nan 8.190 nan 0.000 0.471 46 E N 3.533 123.739 120.200 0.010 0.000 2.344 46 E HA 0.258 4.400 4.350 -0.346 0.000 0.270 46 E C -0.418 176.185 176.600 0.005 0.000 1.021 46 E CA -0.052 56.355 56.400 0.011 0.000 0.887 46 E CB 0.575 30.282 29.700 0.011 0.000 0.997 46 E HN 0.567 nan 8.360 nan 0.000 0.429 47 K N 3.601 124.002 120.400 0.001 0.000 2.501 47 K HA 0.188 4.301 4.320 -0.346 0.000 0.252 47 K C -1.618 174.977 176.600 -0.009 0.000 0.934 47 K CA -0.878 55.403 56.287 -0.010 0.000 0.797 47 K CB 1.184 33.670 32.500 -0.023 0.000 1.270 47 K HN 0.456 nan 8.250 nan 0.000 0.431 48 D N 2.092 122.489 120.400 -0.005 0.000 2.339 48 D HA 0.133 4.565 4.640 -0.346 0.000 0.245 48 D C -0.320 175.980 176.300 -0.001 0.000 1.115 48 D CA 0.081 54.085 54.000 0.006 0.000 0.917 48 D CB 0.922 41.726 40.800 0.006 0.000 1.192 48 D HN 0.455 nan 8.370 nan 0.000 0.428 49 D N -0.761 119.653 120.400 0.024 0.000 2.531 49 D HA 0.162 4.594 4.640 -0.346 0.000 0.244 49 D C 0.677 177.005 176.300 0.046 0.000 1.090 49 D CA -0.903 53.114 54.000 0.028 0.000 0.989 49 D CB 1.269 42.108 40.800 0.066 0.000 1.433 49 D HN 0.470 nan 8.370 nan 0.000 0.492 50 R N -0.723 119.809 120.500 0.054 0.000 2.193 50 R HA -0.134 3.998 4.340 -0.346 0.000 0.229 50 R C 1.467 177.804 176.300 0.062 0.000 1.110 50 R CA 2.123 58.258 56.100 0.058 0.000 0.988 50 R CB -0.922 29.424 30.300 0.076 0.000 0.871 50 R HN 0.521 nan 8.270 nan 0.000 0.458 51 T N -3.862 110.731 114.554 0.065 0.000 3.113 51 T HA 0.242 4.385 4.350 -0.346 0.000 0.256 51 T C 1.509 176.209 174.700 -0.000 0.000 1.131 51 T CA 0.478 62.594 62.100 0.027 0.000 1.074 51 T CB 0.300 69.137 68.868 -0.052 0.000 0.944 51 T HN 0.552 nan 8.240 nan 0.000 0.516 52 G N 0.678 109.487 108.800 0.015 0.000 2.241 52 G HA2 -0.267 3.486 3.960 -0.346 0.000 0.244 52 G HA3 -0.267 3.486 3.960 -0.346 0.000 0.244 52 G C 0.379 175.281 174.900 0.004 0.000 0.998 52 G CA 0.232 45.336 45.100 0.007 0.000 0.621 52 G HN 0.762 nan 8.290 nan 0.000 0.519 53 T N 0.846 115.396 114.554 -0.008 0.000 2.726 53 T HA 0.541 4.684 4.350 -0.346 0.000 0.294 53 T C 1.068 175.817 174.700 0.082 0.000 1.013 53 T CA 0.332 62.435 62.100 0.005 0.000 0.996 53 T CB 1.333 70.148 68.868 -0.088 0.000 1.016 53 T HN 1.124 nan 8.240 nan 0.000 0.529 54 G N -0.468 108.391 108.800 0.100 0.000 2.488 54 G HA2 0.578 4.331 3.960 -0.346 0.000 0.318 54 G HA3 0.578 4.331 3.960 -0.346 0.000 0.318 54 G C -0.830 174.153 174.900 0.139 0.000 1.188 54 G CA -0.367 44.789 45.100 0.093 0.000 0.944 54 G HN 0.673 nan 8.290 nan 0.000 0.495 55 T N -0.277 114.316 114.554 0.066 0.000 2.894 55 T HA 0.499 4.642 4.350 -0.346 0.000 0.309 55 T C -0.969 173.739 174.700 0.014 0.000 1.208 55 T CA -0.347 61.763 62.100 0.017 0.000 1.016 55 T CB 1.348 70.162 68.868 -0.091 0.000 1.192 55 T HN 0.329 nan 8.240 nan 0.000 0.491 56 L N 3.088 124.324 121.223 0.021 0.000 2.349 56 L HA 0.727 4.859 4.340 -0.346 0.000 0.278 56 L C -0.042 176.859 176.870 0.052 0.000 0.996 56 L CA -0.623 54.236 54.840 0.033 0.000 0.825 56 L CB 1.735 43.816 42.059 0.036 0.000 1.243 56 L HN 0.754 nan 8.230 nan 0.000 0.412 57 S N 2.705 118.439 115.700 0.057 0.000 2.599 57 S HA 0.881 5.144 4.470 -0.346 0.000 0.287 57 S C -0.981 173.682 174.600 0.105 0.000 1.105 57 S CA -0.698 57.557 58.200 0.092 0.000 0.899 57 S CB 2.549 65.803 63.200 0.090 0.000 1.100 57 S HN 0.197 nan 8.310 nan 0.000 0.482 58 V N 1.576 121.567 119.914 0.129 0.000 2.962 58 V HA 0.677 4.590 4.120 -0.346 0.000 0.313 58 V C -1.617 174.590 176.094 0.187 0.000 1.099 58 V CA -0.751 61.635 62.300 0.145 0.000 0.971 58 V CB 1.988 33.884 31.823 0.122 0.000 1.028 58 V HN 0.918 nan 8.190 nan 0.000 0.430 59 F N 2.637 122.590 119.950 0.006 0.000 2.445 59 F HA 0.772 5.098 4.527 -0.335 0.000 0.348 59 F C 0.336 176.119 175.800 -0.028 0.000 1.125 59 F CA 0.091 58.087 58.000 -0.007 0.000 0.983 59 F CB 1.263 40.267 39.000 0.006 0.000 1.198 59 F HN 0.831 nan 8.300 nan 0.000 0.436 60 G N 7.159 115.647 108.800 -0.521 0.000 3.383 60 G HA2 0.013 3.765 3.960 -0.346 0.000 0.685 60 G HA3 0.013 3.765 3.960 -0.346 0.000 0.685 60 G C -1.309 173.417 174.900 -0.290 0.000 1.104 60 G CA -0.401 44.414 45.100 -0.475 0.000 0.957 60 G HN 0.707 nan 8.290 nan 0.000 0.461 61 M N 1.097 120.521 119.600 -0.293 0.000 2.683 61 M HA 0.702 4.974 4.480 -0.346 0.000 0.274 61 M C -0.495 175.650 176.300 -0.259 0.000 1.272 61 M CA -0.891 54.255 55.300 -0.256 0.000 0.833 61 M CB 2.849 35.301 32.600 -0.246 0.000 1.708 61 M HN 0.619 nan 8.290 nan 0.000 0.463 62 Q N 0.690 120.358 119.800 -0.221 0.000 2.352 62 Q HA 0.770 4.903 4.340 -0.346 0.000 0.270 62 Q C -2.316 173.575 176.000 -0.183 0.000 1.006 62 Q CA -0.477 55.199 55.803 -0.212 0.000 0.880 62 Q CB 2.989 31.614 28.738 -0.187 0.000 1.392 62 Q HN 0.888 nan 8.270 nan 0.000 0.401 63 A N 3.213 125.926 122.820 -0.178 0.000 2.422 63 A HA 0.725 4.838 4.320 -0.346 0.000 0.302 63 A C -1.512 175.843 177.584 -0.382 0.000 1.041 63 A CA -0.663 51.215 52.037 -0.263 0.000 0.708 63 A CB 1.783 20.662 19.000 -0.202 0.000 1.257 63 A HN 0.697 nan 8.150 nan 0.000 0.414 64 R N 2.168 122.407 120.500 -0.435 0.000 2.246 64 R HA 0.526 4.658 4.340 -0.346 0.000 0.332 64 R C -1.810 174.271 176.300 -0.365 0.000 0.974 64 R CA -0.236 55.672 56.100 -0.320 0.000 0.837 64 R CB 0.419 30.610 30.300 -0.182 0.000 1.145 64 R HN 0.698 nan 8.270 nan 0.000 0.467 65 Y N 1.803 122.134 120.300 0.051 0.000 2.328 65 Y HA 0.213 4.551 4.550 -0.354 0.000 0.337 65 Y C 0.625 176.600 175.900 0.125 0.000 1.008 65 Y CA -0.413 57.764 58.100 0.128 0.000 1.129 65 Y CB 2.041 40.602 38.460 0.169 0.000 1.185 65 Y HN 0.462 nan 8.280 nan 0.000 0.476 66 S N 3.592 119.433 115.700 0.236 0.000 2.523 66 S HA 0.262 4.525 4.470 -0.346 0.000 0.275 66 S C 0.288 175.002 174.600 0.189 0.000 1.281 66 S CA -0.671 57.638 58.200 0.182 0.000 1.050 66 S CB 0.314 63.602 63.200 0.145 0.000 0.937 66 S HN 0.618 nan 8.310 nan 0.000 0.492 67 L N 4.759 126.097 121.223 0.192 0.000 2.667 67 L HA 0.325 4.458 4.340 -0.346 0.000 0.232 67 L C 0.931 177.920 176.870 0.198 0.000 1.138 67 L CA 0.464 55.460 54.840 0.260 0.000 0.921 67 L CB -1.100 41.145 42.059 0.310 0.000 1.180 67 L HN 0.626 nan 8.230 nan 0.000 0.487 68 R N 0.912 121.495 120.500 0.137 0.000 2.291 68 R HA 0.088 4.221 4.340 -0.346 0.000 0.333 68 R C -0.055 176.318 176.300 0.122 0.000 1.082 68 R CA -0.254 55.906 56.100 0.099 0.000 0.948 68 R CB -0.022 30.324 30.300 0.076 0.000 1.009 68 R HN 0.021 nan 8.270 nan 0.000 0.460 69 D N 1.820 122.298 120.400 0.130 0.000 2.837 69 D HA -0.208 4.224 4.640 -0.346 0.000 0.230 69 D C -0.950 175.439 176.300 0.150 0.000 1.152 69 D CA 1.985 56.063 54.000 0.130 0.000 0.736 69 D CB -0.466 40.386 40.800 0.086 0.000 1.084 69 D HN 0.811 nan 8.370 nan 0.000 0.429 70 E N -1.454 118.871 120.200 0.209 0.000 2.401 70 E HA 0.360 4.503 4.350 -0.346 0.000 0.283 70 E C -1.384 175.322 176.600 0.177 0.000 1.053 70 E CA -1.019 55.489 56.400 0.179 0.000 0.842 70 E CB 0.510 30.313 29.700 0.172 0.000 1.222 70 E HN 0.014 nan 8.360 nan 0.000 0.429 71 F N 3.592 123.438 119.950 -0.172 0.000 2.449 71 F HA 0.456 4.777 4.527 -0.343 0.000 0.342 71 F C -2.284 173.097 175.800 -0.697 0.000 1.127 71 F CA -2.603 55.151 58.000 -0.410 0.000 0.975 71 F CB 1.970 40.622 39.000 -0.581 0.000 1.146 71 F HN 0.220 nan 8.300 nan 0.000 0.444 72 P HA 0.056 nan 4.420 nan 0.000 0.249 72 P C -0.908 175.552 177.300 -1.399 0.000 1.737 72 P CA 0.108 61.998 63.100 -2.017 0.000 1.128 72 P CB 0.400 31.366 31.700 -1.224 0.000 1.942 73 L N 4.666 125.340 121.223 -0.914 0.000 2.295 73 L HA 0.270 4.402 4.340 -0.346 0.000 0.281 73 L C 0.151 177.121 176.870 0.166 0.000 1.018 73 L CA -0.950 53.678 54.840 -0.355 0.000 0.841 73 L CB 0.662 42.447 42.059 -0.457 0.000 1.218 73 L HN 0.126 nan 8.230 nan 0.000 0.424 74 L N 3.802 125.179 121.223 0.257 0.000 2.667 74 L HA -0.087 4.046 4.340 -0.346 0.000 0.296 74 L C 1.364 178.531 176.870 0.495 0.000 1.252 74 L CA 1.073 56.175 54.840 0.436 0.000 0.891 74 L CB 0.110 42.289 42.059 0.199 0.000 1.141 74 L HN 0.849 nan 8.230 nan 0.000 0.501 75 T N -4.351 110.451 114.554 0.414 0.000 2.990 75 T HA -0.041 4.101 4.350 -0.346 0.000 0.250 75 T C 1.367 176.241 174.700 0.289 0.000 1.041 75 T CA 0.375 62.675 62.100 0.333 0.000 1.010 75 T CB -0.069 68.941 68.868 0.237 0.000 1.003 75 T HN 0.726 nan 8.240 nan 0.000 0.499 76 T N -0.067 114.665 114.554 0.295 0.000 3.227 76 T HA 0.231 4.374 4.350 -0.346 0.000 0.257 76 T C 0.284 175.113 174.700 0.214 0.000 1.162 76 T CA -0.118 62.144 62.100 0.270 0.000 1.051 76 T CB -0.420 68.539 68.868 0.151 0.000 0.953 76 T HN 0.658 nan 8.240 nan 0.000 0.535 77 K N 0.235 120.773 120.400 0.230 0.000 2.610 77 K HA 0.284 4.397 4.320 -0.346 0.000 0.278 77 K C -1.810 174.905 176.600 0.192 0.000 0.964 77 K CA -0.855 55.541 56.287 0.182 0.000 0.859 77 K CB 1.677 34.277 32.500 0.167 0.000 1.434 77 K HN 0.045 nan 8.250 nan 0.000 0.410 78 R N 3.195 123.782 120.500 0.146 0.000 2.216 78 R HA 0.300 4.433 4.340 -0.346 0.000 0.332 78 R C -0.843 175.619 176.300 0.270 0.000 1.056 78 R CA -0.460 55.739 56.100 0.166 0.000 0.901 78 R CB 0.800 31.138 30.300 0.063 0.000 1.039 78 R HN 0.354 nan 8.270 nan 0.000 0.456 79 V N 6.163 126.315 119.914 0.397 0.000 2.607 79 V HA 0.105 4.018 4.120 -0.346 0.000 0.289 79 V C 0.464 176.813 176.094 0.425 0.000 1.053 79 V CA -0.418 62.096 62.300 0.355 0.000 0.996 79 V CB 1.271 33.242 31.823 0.247 0.000 0.995 79 V HN 0.731 nan 8.190 nan 0.000 0.476 80 F N 4.889 124.992 119.950 0.256 0.000 2.677 80 F HA 0.006 4.326 4.527 -0.345 0.000 0.358 80 F C 1.312 177.151 175.800 0.066 0.000 1.266 80 F CA -0.243 57.888 58.000 0.218 0.000 1.262 80 F CB -0.196 39.001 39.000 0.328 0.000 1.684 80 F HN 0.850 nan 8.300 nan 0.000 0.671 81 W N 4.772 126.072 121.300 0.000 0.000 2.305 81 W HA -0.311 4.140 4.660 -0.348 0.000 0.308 81 W C 1.827 178.100 176.519 -0.409 0.000 1.226 81 W CA 1.883 59.071 57.345 -0.261 0.000 1.253 81 W CB -0.104 29.254 29.460 -0.170 0.000 1.146 81 W HN 0.467 nan 8.180 nan 0.000 0.507 82 K N 0.228 120.348 120.400 -0.467 0.000 1.987 82 K HA -0.187 3.926 4.320 -0.346 0.000 0.216 82 K C 2.323 178.345 176.600 -0.963 0.000 1.051 82 K CA 2.456 58.338 56.287 -0.674 0.000 0.942 82 K CB -1.113 31.213 32.500 -0.290 0.000 0.722 82 K HN 0.164 nan 8.250 nan 0.000 0.444 83 G N 0.463 108.368 108.800 -1.491 0.000 2.475 83 G HA2 -0.229 3.523 3.960 -0.346 0.000 0.220 83 G HA3 -0.229 3.523 3.960 -0.346 0.000 0.220 83 G C 1.475 176.027 174.900 -0.580 0.000 1.125 83 G CA 1.085 45.649 45.100 -0.894 0.000 0.755 83 G HN 0.241 nan 8.290 nan 0.000 0.565 84 V N 0.658 120.019 119.914 -0.922 0.000 2.237 84 V HA -0.126 3.786 4.120 -0.346 0.000 0.245 84 V C 2.671 178.252 176.094 -0.855 0.000 1.046 84 V CA 1.672 63.391 62.300 -0.968 0.000 1.007 84 V CB -0.596 30.575 31.823 -1.086 0.000 0.638 84 V HN 0.386 nan 8.190 nan 0.000 0.445 85 L N -0.299 120.214 121.223 -1.184 0.000 1.989 85 L HA -0.183 3.950 4.340 -0.346 0.000 0.211 85 L C 2.865 179.363 176.870 -0.621 0.000 1.071 85 L CA 1.769 55.980 54.840 -1.049 0.000 0.749 85 L CB -0.417 40.898 42.059 -1.238 0.000 0.890 85 L HN 0.369 nan 8.230 nan 0.000 0.431 86 E N -0.128 119.746 120.200 -0.542 0.000 2.118 86 E HA -0.306 3.837 4.350 -0.346 0.000 0.195 86 E C 1.861 178.289 176.600 -0.287 0.000 0.992 86 E CA 1.493 57.683 56.400 -0.351 0.000 0.804 86 E CB -0.151 29.349 29.700 -0.333 0.000 0.741 86 E HN 0.598 nan 8.360 nan 0.000 0.458 87 E N 0.719 120.716 120.200 -0.338 0.000 2.031 87 E HA -0.151 3.992 4.350 -0.346 0.000 0.193 87 E C 2.360 178.693 176.600 -0.445 0.000 0.994 87 E CA 0.565 56.761 56.400 -0.340 0.000 0.800 87 E CB -0.154 29.393 29.700 -0.254 0.000 0.752 87 E HN 0.168 nan 8.360 nan 0.000 0.447 88 L N 0.465 121.487 121.223 -0.335 0.000 2.013 88 L HA -0.240 3.893 4.340 -0.346 0.000 0.212 88 L C 2.524 179.356 176.870 -0.063 0.000 1.073 88 L CA 1.050 55.802 54.840 -0.147 0.000 0.753 88 L CB -0.266 41.661 42.059 -0.219 0.000 0.890 88 L HN 0.303 nan 8.230 nan 0.000 0.432 89 L N -1.189 119.968 121.223 -0.110 0.000 2.042 89 L HA -0.260 3.873 4.340 -0.346 0.000 0.210 89 L C 2.085 178.992 176.870 0.061 0.000 1.076 89 L CA 1.859 56.694 54.840 -0.008 0.000 0.749 89 L CB -1.221 40.818 42.059 -0.033 0.000 0.893 89 L HN 0.469 nan 8.230 nan 0.000 0.432 90 W N -0.442 120.729 121.300 -0.215 0.000 2.338 90 W HA -0.262 4.190 4.660 -0.346 0.000 0.304 90 W C 2.348 178.788 176.519 -0.131 0.000 1.212 90 W CA 1.341 58.560 57.345 -0.210 0.000 1.264 90 W CB -0.474 28.778 29.460 -0.347 0.000 1.142 90 W HN 0.088 nan 8.180 nan 0.000 0.512 91 F N 0.390 120.217 119.950 -0.206 0.000 2.075 91 F HA -0.177 4.150 4.527 -0.334 0.000 0.297 91 F C 2.417 178.040 175.800 -0.294 0.000 1.113 91 F CA 1.474 59.173 58.000 -0.502 0.000 1.218 91 F CB -1.537 37.066 39.000 -0.663 0.000 0.984 91 F HN -0.183 nan 8.300 nan 0.000 0.472 92 I N 0.542 121.203 120.570 0.151 0.000 2.248 92 I HA -0.328 3.635 4.170 -0.346 0.000 0.248 92 I C 2.077 178.263 176.117 0.115 0.000 1.107 92 I CA 1.725 63.145 61.300 0.201 0.000 1.373 92 I CB -0.585 37.544 38.000 0.215 0.000 1.055 92 I HN 0.178 nan 8.210 nan 0.000 0.418 93 K N 1.443 121.882 120.400 0.064 0.000 2.522 93 K HA 0.175 4.287 4.320 -0.346 0.000 0.194 93 K C 1.140 177.762 176.600 0.038 0.000 1.026 93 K CA 0.684 57.008 56.287 0.062 0.000 1.119 93 K CB -0.144 32.400 32.500 0.073 0.000 0.856 93 K HN 0.274 nan 8.250 nan 0.000 0.513 94 G N 1.291 110.079 108.800 -0.020 0.000 2.249 94 G HA2 -0.331 3.422 3.960 -0.346 0.000 0.273 94 G HA3 -0.331 3.422 3.960 -0.346 0.000 0.273 94 G C -0.060 174.804 174.900 -0.061 0.000 1.036 94 G CA 0.595 45.678 45.100 -0.028 0.000 0.824 94 G HN 0.520 nan 8.290 nan 0.000 0.504 95 S N -0.653 114.884 115.700 -0.271 0.000 2.565 95 S HA 0.644 4.906 4.470 -0.346 0.000 0.274 95 S C 1.303 175.563 174.600 -0.568 0.000 1.309 95 S CA 0.839 58.856 58.200 -0.304 0.000 1.043 95 S CB 1.007 64.055 63.200 -0.253 0.000 0.939 95 S HN 1.208 nan 8.310 nan 0.000 0.504 96 T N 1.002 115.439 114.554 -0.195 0.000 3.339 96 T HA 0.320 4.463 4.350 -0.346 0.000 0.292 96 T C -0.143 174.637 174.700 0.132 0.000 1.012 96 T CA -0.586 61.410 62.100 -0.172 0.000 0.937 96 T CB -0.903 67.889 68.868 -0.126 0.000 1.164 96 T HN 0.610 nan 8.240 nan 0.000 0.509 97 N N 0.441 119.345 118.700 0.341 0.000 2.476 97 N HA 0.547 5.080 4.740 -0.346 0.000 0.257 97 N C 1.442 177.229 175.510 0.463 0.000 0.970 97 N CA -0.223 53.047 53.050 0.366 0.000 0.938 97 N CB 1.196 39.837 38.487 0.257 0.000 1.144 97 N HN 0.202 nan 8.380 nan 0.000 0.500 98 A N 4.204 127.201 122.820 0.294 0.000 1.948 98 A HA -0.196 3.916 4.320 -0.346 0.000 0.220 98 A C 1.927 179.477 177.584 -0.057 0.000 1.177 98 A CA 1.388 53.468 52.037 0.071 0.000 0.636 98 A CB -0.228 18.860 19.000 0.148 0.000 0.815 98 A HN 0.780 nan 8.150 nan 0.000 0.449 99 K N -0.541 119.881 120.400 0.038 0.000 2.147 99 K HA -0.150 3.962 4.320 -0.346 0.000 0.205 99 K C 1.860 178.447 176.600 -0.021 0.000 1.049 99 K CA 1.496 57.788 56.287 0.008 0.000 0.936 99 K CB -0.159 32.368 32.500 0.045 0.000 0.722 99 K HN 0.626 nan 8.250 nan 0.000 0.446 100 E N 0.478 120.698 120.200 0.033 0.000 2.204 100 E HA -0.168 3.974 4.350 -0.346 0.000 0.194 100 E C 1.732 178.244 176.600 -0.147 0.000 0.989 100 E CA 0.598 57.023 56.400 0.043 0.000 0.824 100 E CB 0.113 29.964 29.700 0.251 0.000 0.756 100 E HN 0.097 nan 8.360 nan 0.000 0.477 101 L N -0.317 120.630 121.223 -0.461 0.000 2.202 101 L HA 0.055 4.188 4.340 -0.346 0.000 0.205 101 L C 2.147 178.818 176.870 -0.331 0.000 1.083 101 L CA 1.195 55.647 54.840 -0.645 0.000 0.790 101 L CB -0.204 41.070 42.059 -1.309 0.000 0.942 101 L HN -0.110 nan 8.230 nan 0.000 0.452 102 S N -1.245 114.311 115.700 -0.240 0.000 2.469 102 S HA -0.130 4.132 4.470 -0.346 0.000 0.238 102 S C 1.924 176.477 174.600 -0.079 0.000 0.998 102 S CA 1.345 59.473 58.200 -0.121 0.000 0.957 102 S CB -0.242 62.914 63.200 -0.074 0.000 0.764 102 S HN 0.614 nan 8.310 nan 0.000 0.514 103 S N 0.833 116.483 115.700 -0.084 0.000 2.453 103 S HA 0.111 4.374 4.470 -0.346 0.000 0.231 103 S C 1.488 176.061 174.600 -0.045 0.000 1.005 103 S CA 0.514 58.687 58.200 -0.046 0.000 0.949 103 S CB -0.010 63.173 63.200 -0.029 0.000 0.774 103 S HN 0.371 nan 8.310 nan 0.000 0.510 104 K N 0.570 120.925 120.400 -0.075 0.000 2.374 104 K HA 0.295 4.408 4.320 -0.346 0.000 0.196 104 K C 1.204 177.780 176.600 -0.040 0.000 1.023 104 K CA 0.465 56.712 56.287 -0.066 0.000 1.103 104 K CB -0.053 32.382 32.500 -0.108 0.000 0.848 104 K HN 0.388 nan 8.250 nan 0.000 0.528 105 G N 0.705 109.491 108.800 -0.023 0.000 2.131 105 G HA2 -0.208 3.545 3.960 -0.346 0.000 0.223 105 G HA3 -0.208 3.545 3.960 -0.346 0.000 0.223 105 G C -0.190 174.764 174.900 0.090 0.000 0.990 105 G CA 0.030 45.150 45.100 0.035 0.000 0.671 105 G HN 0.091 nan 8.290 nan 0.000 0.521 106 V N 1.725 121.640 119.914 0.003 0.000 2.284 106 V HA 0.369 4.282 4.120 -0.346 0.000 0.274 106 V C 0.907 176.985 176.094 -0.026 0.000 1.023 106 V CA -0.739 61.573 62.300 0.019 0.000 0.808 106 V CB 1.378 33.109 31.823 -0.153 0.000 1.035 106 V HN 0.203 nan 8.190 nan 0.000 0.445 107 K N 3.603 124.023 120.400 0.032 0.000 2.444 107 K HA 0.117 4.230 4.320 -0.346 0.000 0.193 107 K C 1.803 178.376 176.600 -0.045 0.000 1.024 107 K CA 0.459 56.735 56.287 -0.018 0.000 1.077 107 K CB -0.005 32.488 32.500 -0.011 0.000 0.833 107 K HN 0.855 nan 8.250 nan 0.000 0.517 108 I N -3.032 117.503 120.570 -0.059 0.000 2.367 108 I HA -0.239 3.723 4.170 -0.346 0.000 0.256 108 I C 1.308 177.254 176.117 -0.285 0.000 1.132 108 I CA 1.620 62.805 61.300 -0.192 0.000 1.397 108 I CB -0.411 37.422 38.000 -0.278 0.000 1.074 108 I HN 0.038 nan 8.210 nan 0.000 0.435 109 W N 1.251 122.458 121.300 -0.155 0.000 3.107 109 W HA 0.136 4.584 4.660 -0.353 0.000 0.293 109 W C 1.904 178.379 176.519 -0.073 0.000 1.239 109 W CA -0.027 57.261 57.345 -0.095 0.000 1.653 109 W CB 0.001 29.402 29.460 -0.097 0.000 1.068 109 W HN 0.056 nan 8.180 nan 0.000 0.615 110 D N 0.779 121.228 120.400 0.082 0.000 2.133 110 D HA -0.275 4.158 4.640 -0.346 0.000 0.192 110 D C 2.226 178.546 176.300 0.032 0.000 1.001 110 D CA 2.176 56.208 54.000 0.053 0.000 0.844 110 D CB -0.954 39.850 40.800 0.007 0.000 0.944 110 D HN 0.110 nan 8.370 nan 0.000 0.447 111 A N 0.936 123.730 122.820 -0.044 0.000 1.884 111 A HA -0.273 3.839 4.320 -0.346 0.000 0.219 111 A C 1.863 179.339 177.584 -0.181 0.000 1.197 111 A CA 2.166 54.132 52.037 -0.119 0.000 0.637 111 A CB -0.971 17.908 19.000 -0.201 0.000 0.827 111 A HN 0.286 nan 8.150 nan 0.000 0.450 112 N N -0.555 118.044 118.700 -0.168 0.000 2.521 112 N HA 0.163 4.696 4.740 -0.346 0.000 0.188 112 N C 1.162 176.808 175.510 0.226 0.000 1.146 112 N CA 0.758 53.699 53.050 -0.182 0.000 0.893 112 N CB 0.056 38.562 38.487 0.032 0.000 0.975 112 N HN 0.482 nan 8.380 nan 0.000 0.451 113 G N -0.561 108.362 108.800 0.206 0.000 3.192 113 G HA2 0.002 3.755 3.960 -0.346 0.000 0.239 113 G HA3 0.002 3.755 3.960 -0.346 0.000 0.239 113 G C 0.453 175.474 174.900 0.201 0.000 1.084 113 G CA -0.217 45.027 45.100 0.241 0.000 0.784 113 G HN 0.327 nan 8.290 nan 0.000 0.540 114 S N -0.274 115.533 115.700 0.177 0.000 2.592 114 S HA 0.178 4.440 4.470 -0.346 0.000 0.256 114 S C 1.516 176.218 174.600 0.170 0.000 1.369 114 S CA -0.155 58.134 58.200 0.149 0.000 0.984 114 S CB 1.231 64.508 63.200 0.129 0.000 0.919 114 S HN 0.108 nan 8.310 nan 0.000 0.576 115 R N 0.569 121.143 120.500 0.123 0.000 2.075 115 R HA -0.015 4.117 4.340 -0.346 0.000 0.226 115 R C 1.814 178.174 176.300 0.100 0.000 1.114 115 R CA 1.776 57.939 56.100 0.105 0.000 0.972 115 R CB -1.183 29.160 30.300 0.073 0.000 0.869 115 R HN 0.815 nan 8.270 nan 0.000 0.437 116 D N -0.177 120.285 120.400 0.102 0.000 2.104 116 D HA -0.179 4.254 4.640 -0.346 0.000 0.194 116 D C 1.556 177.917 176.300 0.102 0.000 0.994 116 D CA 1.250 55.301 54.000 0.086 0.000 0.830 116 D CB -0.165 40.688 40.800 0.088 0.000 0.959 116 D HN 0.079 nan 8.370 nan 0.000 0.452 117 F N 0.466 120.425 119.950 0.014 0.000 2.113 117 F HA -0.079 4.239 4.527 -0.348 0.000 0.297 117 F C 1.832 177.626 175.800 -0.010 0.000 1.103 117 F CA 0.787 58.790 58.000 0.005 0.000 1.248 117 F CB -0.194 38.828 39.000 0.035 0.000 0.999 117 F HN -0.101 nan 8.300 nan 0.000 0.475 118 L N 0.311 121.619 121.223 0.142 0.000 2.042 118 L HA -0.253 3.880 4.340 -0.346 0.000 0.210 118 L C 2.130 178.952 176.870 -0.080 0.000 1.076 118 L CA 1.815 56.709 54.840 0.091 0.000 0.749 118 L CB -1.059 41.136 42.059 0.226 0.000 0.893 118 L HN 0.113 nan 8.230 nan 0.000 0.432 119 D N -1.265 119.109 120.400 -0.043 0.000 2.144 119 D HA -0.121 4.312 4.640 -0.346 0.000 0.200 119 D C 2.292 178.487 176.300 -0.174 0.000 0.978 119 D CA 1.480 55.438 54.000 -0.071 0.000 0.833 119 D CB -0.027 40.762 40.800 -0.018 0.000 0.961 119 D HN 0.434 nan 8.370 nan 0.000 0.470 120 S N 0.369 115.929 115.700 -0.233 0.000 2.442 120 S HA -0.083 4.180 4.470 -0.346 0.000 0.236 120 S C 2.037 176.400 174.600 -0.395 0.000 1.007 120 S CA 0.541 58.573 58.200 -0.280 0.000 0.965 120 S CB -0.468 62.549 63.200 -0.306 0.000 0.773 120 S HN 0.256 nan 8.310 nan 0.000 0.504 121 L N 0.687 121.559 121.223 -0.586 0.000 2.567 121 L HA 0.334 4.467 4.340 -0.346 0.000 0.225 121 L C 1.826 178.238 176.870 -0.764 0.000 1.119 121 L CA 0.365 54.718 54.840 -0.811 0.000 0.871 121 L CB -0.599 40.676 42.059 -1.307 0.000 1.036 121 L HN 0.592 nan 8.230 nan 0.000 0.459 122 G N -0.059 108.481 108.800 -0.433 0.000 2.141 122 G HA2 -0.294 3.458 3.960 -0.346 0.000 0.242 122 G HA3 -0.294 3.458 3.960 -0.346 0.000 0.242 122 G C 0.335 175.287 174.900 0.087 0.000 0.982 122 G CA -0.345 44.660 45.100 -0.158 0.000 0.662 122 G HN 0.388 nan 8.290 nan 0.000 0.527 123 F N 2.341 122.270 119.950 -0.035 0.000 2.949 123 F HA 0.187 4.505 4.527 -0.348 0.000 0.291 123 F C 2.242 178.042 175.800 -0.000 0.000 1.214 123 F CA -0.075 57.918 58.000 -0.012 0.000 1.381 123 F CB 0.232 39.231 39.000 -0.002 0.000 1.066 123 F HN 0.303 nan 8.300 nan 0.000 0.520 124 S N -0.897 114.896 115.700 0.156 0.000 2.383 124 S HA -0.263 4.000 4.470 -0.346 0.000 0.229 124 S C 2.143 176.792 174.600 0.081 0.000 1.030 124 S CA 1.916 60.170 58.200 0.091 0.000 1.002 124 S CB -1.056 62.176 63.200 0.052 0.000 0.829 124 S HN 0.578 nan 8.310 nan 0.000 0.467 125 T N -0.569 114.031 114.554 0.077 0.000 3.035 125 T HA 0.050 4.192 4.350 -0.346 0.000 0.268 125 T C 0.819 175.542 174.700 0.039 0.000 1.109 125 T CA 0.008 62.134 62.100 0.044 0.000 1.119 125 T CB -0.460 68.423 68.868 0.025 0.000 0.900 125 T HN 0.476 nan 8.240 nan 0.000 0.503 126 R N 1.504 122.043 120.500 0.065 0.000 2.539 126 R HA 0.192 4.324 4.340 -0.346 0.000 0.275 126 R C -0.479 175.861 176.300 0.068 0.000 1.077 126 R CA -0.340 55.791 56.100 0.051 0.000 1.097 126 R CB 0.466 30.805 30.300 0.066 0.000 1.018 126 R HN 0.430 nan 8.270 nan 0.000 0.483 127 E N 2.181 122.412 120.200 0.052 0.000 2.331 127 E HA -0.017 4.126 4.350 -0.346 0.000 0.272 127 E C -0.642 176.009 176.600 0.085 0.000 1.036 127 E CA -0.286 56.148 56.400 0.057 0.000 0.864 127 E CB 1.066 30.789 29.700 0.039 0.000 1.035 127 E HN 0.513 nan 8.360 nan 0.000 0.408 128 E N 0.795 121.046 120.200 0.086 0.000 2.465 128 E HA -0.006 4.136 4.350 -0.346 0.000 0.260 128 E C 0.666 177.331 176.600 0.108 0.000 0.980 128 E CA 0.975 57.438 56.400 0.104 0.000 0.927 128 E CB 0.112 29.864 29.700 0.086 0.000 0.934 128 E HN 0.754 nan 8.360 nan 0.000 0.459 129 G N 4.258 113.140 108.800 0.138 0.000 2.259 129 G HA2 -0.240 3.513 3.960 -0.346 0.000 0.217 129 G HA3 -0.240 3.513 3.960 -0.346 0.000 0.217 129 G C 0.001 175.003 174.900 0.170 0.000 1.001 129 G CA 0.027 45.215 45.100 0.146 0.000 0.627 129 G HN 0.668 nan 8.290 nan 0.000 0.501 130 D N 1.441 121.933 120.400 0.153 0.000 2.374 130 D HA 0.435 4.868 4.640 -0.346 0.000 0.240 130 D C 1.838 178.226 176.300 0.147 0.000 1.229 130 D CA -0.335 53.752 54.000 0.145 0.000 0.895 130 D CB 0.184 41.052 40.800 0.114 0.000 1.046 130 D HN 0.274 nan 8.370 nan 0.000 0.498 131 L N 2.922 124.224 121.223 0.132 0.000 2.465 131 L HA 0.164 4.296 4.340 -0.346 0.000 0.224 131 L C 1.612 178.456 176.870 -0.043 0.000 1.145 131 L CA 0.506 55.411 54.840 0.109 0.000 0.834 131 L CB -0.725 41.383 42.059 0.081 0.000 0.944 131 L HN 0.654 nan 8.230 nan 0.000 0.451 132 G N 0.271 108.976 108.800 -0.157 0.000 2.582 132 G HA2 -0.177 3.575 3.960 -0.346 0.000 0.222 132 G HA3 -0.177 3.575 3.960 -0.346 0.000 0.222 132 G C -2.593 171.655 174.900 -1.086 0.000 1.311 132 G CA -0.410 44.372 45.100 -0.529 0.000 0.915 132 G HN -0.007 nan 8.290 nan 0.000 0.528 133 P HA 0.360 nan 4.420 nan 0.000 0.230 133 P C 0.772 177.732 177.300 -0.567 0.000 1.791 133 P CA 0.653 62.984 63.100 -1.282 0.000 1.020 133 P CB -0.139 30.853 31.700 -1.180 0.000 1.977 134 V N -0.719 118.900 119.914 -0.492 0.000 3.653 134 V HA 0.256 4.169 4.120 -0.346 0.000 0.281 134 V C 1.525 177.346 176.094 -0.455 0.000 1.132 134 V CA -0.491 61.511 62.300 -0.495 0.000 0.915 134 V CB -0.819 30.685 31.823 -0.532 0.000 1.241 134 V HN 0.072 nan 8.190 nan 0.000 0.441 135 Y N 1.406 121.428 120.300 -0.463 0.000 1.987 135 Y HA -0.333 4.002 4.550 -0.358 0.000 0.222 135 Y C 2.749 178.089 175.900 -0.933 0.000 1.222 135 Y CA 3.076 60.670 58.100 -0.842 0.000 1.007 135 Y CB -1.904 35.723 38.460 -1.388 0.000 0.811 135 Y HN 0.785 nan 8.280 nan 0.000 0.530 136 G N -1.300 107.160 108.800 -0.567 0.000 2.491 136 G HA2 -0.348 3.404 3.960 -0.346 0.000 0.218 136 G HA3 -0.348 3.404 3.960 -0.346 0.000 0.218 136 G C 1.672 176.481 174.900 -0.151 0.000 1.180 136 G CA 1.136 45.996 45.100 -0.400 0.000 0.774 136 G HN 0.478 nan 8.290 nan 0.000 0.562 137 F N 1.097 120.900 119.950 -0.246 0.000 2.126 137 F HA -0.138 4.181 4.527 -0.348 0.000 0.299 137 F C 2.967 178.716 175.800 -0.084 0.000 1.096 137 F CA 1.974 59.889 58.000 -0.142 0.000 1.255 137 F CB 0.142 38.970 39.000 -0.288 0.000 0.997 137 F HN 0.101 nan 8.300 nan 0.000 0.479 138 Q N -0.844 118.914 119.800 -0.070 0.000 2.187 138 Q HA -0.165 3.967 4.340 -0.346 0.000 0.199 138 Q C 1.987 178.133 176.000 0.244 0.000 0.957 138 Q CA 1.171 56.984 55.803 0.018 0.000 0.857 138 Q CB -0.789 28.024 28.738 0.125 0.000 0.929 138 Q HN 0.538 nan 8.270 nan 0.000 0.453 139 W N 1.250 122.513 121.300 -0.061 0.000 2.402 139 W HA -0.059 4.392 4.660 -0.348 0.000 0.286 139 W C 1.863 178.306 176.519 -0.127 0.000 1.221 139 W CA 0.663 57.986 57.345 -0.038 0.000 1.257 139 W CB -0.055 29.390 29.460 -0.024 0.000 1.120 139 W HN 0.126 nan 8.180 nan 0.000 0.551 140 R N -1.605 118.856 120.500 -0.065 0.000 2.307 140 R HA 0.105 4.237 4.340 -0.346 0.000 0.200 140 R C 0.117 175.973 176.300 -0.739 0.000 0.893 140 R CA 0.656 56.505 56.100 -0.417 0.000 1.042 140 R CB -0.383 29.568 30.300 -0.580 0.000 1.059 140 R HN 0.267 nan 8.270 nan 0.000 0.530 141 H N -0.883 118.025 119.070 -0.269 0.000 2.924 141 H HA 0.131 4.480 4.556 -0.345 0.000 0.229 141 H C 0.560 175.608 175.328 -0.466 0.000 1.345 141 H CA -0.844 54.960 56.048 -0.407 0.000 1.044 141 H CB -0.286 29.058 29.762 -0.697 0.000 2.221 141 H HN -0.056 nan 8.280 nan 0.000 0.574 142 F N 2.404 122.208 119.950 -0.243 0.000 2.048 142 F HA -0.290 4.027 4.527 -0.350 0.000 0.296 142 F C 2.378 178.115 175.800 -0.106 0.000 1.109 142 F CA 2.540 60.446 58.000 -0.157 0.000 1.214 142 F CB -0.253 38.713 39.000 -0.056 0.000 0.963 142 F HN 0.361 nan 8.300 nan 0.000 0.491 143 G N -0.365 108.539 108.800 0.172 0.000 2.443 143 G HA2 0.044 3.796 3.960 -0.346 0.000 0.219 143 G HA3 0.044 3.796 3.960 -0.346 0.000 0.219 143 G C 0.804 175.721 174.900 0.028 0.000 1.131 143 G CA 0.362 45.529 45.100 0.112 0.000 0.775 143 G HN 0.704 nan 8.290 nan 0.000 0.547 144 A N 0.460 123.276 122.820 -0.007 0.000 2.609 144 A HA 0.280 4.392 4.320 -0.346 0.000 0.232 144 A C 0.410 178.137 177.584 0.239 0.000 1.041 144 A CA 0.392 52.484 52.037 0.092 0.000 0.753 144 A CB 0.091 19.091 19.000 -0.001 0.000 0.966 144 A HN 0.385 nan 8.150 nan 0.000 0.510 145 E N 1.616 121.960 120.200 0.241 0.000 2.089 145 E HA 0.343 4.486 4.350 -0.346 0.000 0.284 145 E C -0.808 175.947 176.600 0.258 0.000 1.023 145 E CA -0.365 56.152 56.400 0.196 0.000 0.819 145 E CB 0.134 29.903 29.700 0.115 0.000 1.076 145 E HN 0.475 nan 8.360 nan 0.000 0.396 146 Y N 4.512 124.801 120.300 -0.018 0.000 2.497 146 Y HA 0.127 4.472 4.550 -0.342 0.000 0.334 146 Y C 0.757 176.603 175.900 -0.091 0.000 1.199 146 Y CA 0.603 58.529 58.100 -0.290 0.000 1.425 146 Y CB 0.696 38.754 38.460 -0.671 0.000 1.291 146 Y HN 0.687 nan 8.280 nan 0.000 0.562 147 R N 1.337 121.446 120.500 -0.652 0.000 2.242 147 R HA 0.232 4.365 4.340 -0.346 0.000 0.138 147 R C -0.904 174.919 176.300 -0.794 0.000 2.004 147 R CA 0.299 56.106 56.100 -0.489 0.000 1.618 147 R CB 0.172 30.302 30.300 -0.283 0.000 1.371 147 R HN 0.757 nan 8.270 nan 0.000 0.480 148 D N -0.689 119.274 120.400 -0.729 0.000 2.579 148 D HA 0.079 4.512 4.640 -0.346 0.000 0.257 148 D C 0.500 176.618 176.300 -0.304 0.000 1.176 148 D CA -0.726 52.966 54.000 -0.514 0.000 0.914 148 D CB 0.603 41.266 40.800 -0.230 0.000 1.431 148 D HN 0.227 nan 8.370 nan 0.000 0.454 149 M N -1.387 118.200 119.600 -0.021 0.000 2.706 149 M HA 0.026 4.298 4.480 -0.346 0.000 0.253 149 M C -0.088 176.261 176.300 0.082 0.000 1.063 149 M CA 1.409 56.785 55.300 0.127 0.000 1.067 149 M CB -0.311 32.375 32.600 0.142 0.000 1.423 149 M HN 0.421 nan 8.290 nan 0.000 0.530 150 E N 0.182 120.375 120.200 -0.012 0.000 2.601 150 E HA 0.225 4.368 4.350 -0.346 0.000 0.219 150 E C -0.201 176.322 176.600 -0.130 0.000 0.964 150 E CA -0.319 56.062 56.400 -0.033 0.000 1.050 150 E CB 0.871 30.550 29.700 -0.033 0.000 1.068 150 E HN 0.420 nan 8.360 nan 0.000 0.496 151 S N 1.418 116.962 115.700 -0.259 0.000 2.589 151 S HA 0.026 4.288 4.470 -0.346 0.000 0.265 151 S C -0.022 174.182 174.600 -0.660 0.000 1.342 151 S CA -0.183 57.703 58.200 -0.523 0.000 1.005 151 S CB 0.617 63.335 63.200 -0.803 0.000 0.909 151 S HN 0.124 nan 8.310 nan 0.000 0.555 152 D N 0.070 120.117 120.400 -0.588 0.000 2.359 152 D HA 0.250 4.682 4.640 -0.346 0.000 0.230 152 D C -0.574 175.407 176.300 -0.532 0.000 1.118 152 D CA -0.225 53.531 54.000 -0.407 0.000 0.844 152 D CB 0.187 40.857 40.800 -0.216 0.000 1.059 152 D HN 0.461 nan 8.370 nan 0.000 0.493 153 Y N 1.119 121.329 120.300 -0.149 0.000 2.449 153 Y HA 0.099 4.444 4.550 -0.342 0.000 0.254 153 Y C 1.331 177.015 175.900 -0.360 0.000 1.140 153 Y CA -0.310 57.582 58.100 -0.347 0.000 1.272 153 Y CB -0.305 37.752 38.460 -0.672 0.000 1.114 153 Y HN 0.287 nan 8.280 nan 0.000 0.525 154 S N 0.379 116.074 115.700 -0.008 0.000 2.642 154 S HA 0.219 4.482 4.470 -0.346 0.000 0.308 154 S C 1.617 176.275 174.600 0.096 0.000 1.255 154 S CA 0.492 58.766 58.200 0.124 0.000 1.057 154 S CB 0.378 63.633 63.200 0.091 0.000 0.785 154 S HN 0.912 nan 8.310 nan 0.000 0.500 155 G N 2.196 111.085 108.800 0.149 0.000 2.205 155 G HA2 -0.246 3.506 3.960 -0.346 0.000 0.261 155 G HA3 -0.246 3.506 3.960 -0.346 0.000 0.261 155 G C -0.125 174.841 174.900 0.111 0.000 0.980 155 G CA 0.437 45.599 45.100 0.104 0.000 0.632 155 G HN 0.894 nan 8.290 nan 0.000 0.533 156 Q N -0.037 119.846 119.800 0.139 0.000 2.274 156 Q HA 0.544 4.677 4.340 -0.346 0.000 0.260 156 Q C 0.725 176.834 176.000 0.182 0.000 0.974 156 Q CA -0.201 55.677 55.803 0.125 0.000 0.876 156 Q CB 1.905 30.699 28.738 0.092 0.000 1.297 156 Q HN 1.564 nan 8.270 nan 0.000 0.446 157 G N 0.199 109.070 108.800 0.118 0.000 2.888 157 G HA2 -0.225 3.527 3.960 -0.346 0.000 0.441 157 G HA3 -0.225 3.527 3.960 -0.346 0.000 0.441 157 G C -0.616 174.345 174.900 0.102 0.000 1.461 157 G CA -0.339 44.822 45.100 0.101 0.000 0.897 157 G HN 0.762 nan 8.290 nan 0.000 0.547 158 V N -0.344 119.628 119.914 0.095 0.000 2.509 158 V HA 0.629 4.542 4.120 -0.346 0.000 0.284 158 V C 0.164 176.267 176.094 0.014 0.000 1.047 158 V CA 0.158 62.492 62.300 0.056 0.000 0.952 158 V CB 1.749 33.597 31.823 0.041 0.000 0.988 158 V HN 0.928 nan 8.190 nan 0.000 0.469 159 D N 4.426 124.818 120.400 -0.013 0.000 2.500 159 D HA 0.267 4.699 4.640 -0.346 0.000 0.219 159 D C 1.056 177.339 176.300 -0.028 0.000 1.137 159 D CA 0.134 54.105 54.000 -0.048 0.000 0.946 159 D CB 1.204 41.977 40.800 -0.045 0.000 1.022 159 D HN 0.758 nan 8.370 nan 0.000 0.518 160 Q N 1.570 121.359 119.800 -0.019 0.000 2.135 160 Q HA -0.173 3.959 4.340 -0.346 0.000 0.204 160 Q C 1.694 177.662 176.000 -0.053 0.000 0.981 160 Q CA 0.848 56.629 55.803 -0.038 0.000 0.856 160 Q CB 0.145 28.857 28.738 -0.043 0.000 0.902 160 Q HN 0.433 nan 8.270 nan 0.000 0.425 161 L N 1.135 122.331 121.223 -0.044 0.000 1.970 161 L HA -0.269 3.864 4.340 -0.346 0.000 0.212 161 L C 2.427 179.267 176.870 -0.051 0.000 1.071 161 L CA 2.122 56.929 54.840 -0.054 0.000 0.751 161 L CB -0.731 41.343 42.059 0.026 0.000 0.889 161 L HN 0.135 nan 8.230 nan 0.000 0.432 162 Q N -0.449 119.335 119.800 -0.026 0.000 2.096 162 Q HA -0.254 3.878 4.340 -0.346 0.000 0.204 162 Q C 2.399 178.376 176.000 -0.038 0.000 0.982 162 Q CA 1.821 57.608 55.803 -0.026 0.000 0.850 162 Q CB -0.291 28.439 28.738 -0.013 0.000 0.901 162 Q HN 0.352 nan 8.270 nan 0.000 0.422 163 R N -0.835 119.642 120.500 -0.037 0.000 2.096 163 R HA -0.120 4.013 4.340 -0.346 0.000 0.240 163 R C 2.141 178.412 176.300 -0.048 0.000 1.139 163 R CA 1.600 57.678 56.100 -0.037 0.000 0.952 163 R CB -0.914 29.365 30.300 -0.034 0.000 0.854 163 R HN 0.233 nan 8.270 nan 0.000 0.436 164 V N 0.669 120.543 119.914 -0.067 0.000 2.220 164 V HA -0.302 3.610 4.120 -0.346 0.000 0.246 164 V C 2.271 178.286 176.094 -0.131 0.000 1.049 164 V CA 2.289 64.528 62.300 -0.101 0.000 1.003 164 V CB -0.465 31.254 31.823 -0.174 0.000 0.634 164 V HN 0.336 nan 8.190 nan 0.000 0.444 165 I N 0.256 120.742 120.570 -0.140 0.000 2.113 165 I HA -0.360 3.602 4.170 -0.346 0.000 0.242 165 I C 2.296 178.370 176.117 -0.071 0.000 1.057 165 I CA 2.134 63.367 61.300 -0.111 0.000 1.314 165 I CB -0.705 37.254 38.000 -0.069 0.000 1.022 165 I HN 0.384 nan 8.210 nan 0.000 0.408 166 D N 0.267 120.636 120.400 -0.052 0.000 2.178 166 D HA -0.123 4.310 4.640 -0.346 0.000 0.201 166 D C 2.213 178.491 176.300 -0.036 0.000 0.980 166 D CA 1.640 55.618 54.000 -0.037 0.000 0.842 166 D CB -0.331 40.453 40.800 -0.028 0.000 0.948 166 D HN 0.376 nan 8.370 nan 0.000 0.472 167 T N 1.073 115.603 114.554 -0.040 0.000 2.777 167 T HA -0.022 4.120 4.350 -0.346 0.000 0.266 167 T C 2.272 176.950 174.700 -0.035 0.000 1.040 167 T CA 0.389 62.470 62.100 -0.031 0.000 1.141 167 T CB -0.101 68.753 68.868 -0.023 0.000 0.868 167 T HN 0.154 nan 8.240 nan 0.000 0.444 168 I N 0.756 121.296 120.570 -0.050 0.000 2.264 168 I HA -0.188 3.775 4.170 -0.346 0.000 0.248 168 I C 2.567 178.659 176.117 -0.041 0.000 1.111 168 I CA 1.354 62.624 61.300 -0.049 0.000 1.382 168 I CB -0.266 37.687 38.000 -0.079 0.000 1.060 168 I HN 0.187 nan 8.210 nan 0.000 0.418 169 K N -0.003 120.373 120.400 -0.040 0.000 2.155 169 K HA -0.110 4.003 4.320 -0.346 0.000 0.203 169 K C 2.026 178.610 176.600 -0.028 0.000 1.052 169 K CA 1.913 58.181 56.287 -0.031 0.000 0.948 169 K CB -0.050 32.433 32.500 -0.028 0.000 0.728 169 K HN 0.479 nan 8.250 nan 0.000 0.448 170 T N -2.738 111.799 114.554 -0.027 0.000 3.015 170 T HA 0.044 4.187 4.350 -0.346 0.000 0.250 170 T C 0.501 175.185 174.700 -0.026 0.000 1.057 170 T CA 0.050 62.135 62.100 -0.024 0.000 1.066 170 T CB 0.170 69.025 68.868 -0.021 0.000 0.959 170 T HN -0.043 nan 8.240 nan 0.000 0.488 171 N N 1.642 120.324 118.700 -0.029 0.000 2.824 171 N HA 0.290 4.822 4.740 -0.346 0.000 0.224 171 N C -2.556 172.929 175.510 -0.040 0.000 1.418 171 N CA -1.600 51.431 53.050 -0.032 0.000 0.743 171 N CB 1.486 39.958 38.487 -0.026 0.000 1.395 171 N HN -0.087 nan 8.380 nan 0.000 0.548 172 P HA -0.032 nan 4.420 nan 0.000 0.231 172 P C -0.164 177.069 177.300 -0.111 0.000 1.158 172 P CA 0.869 63.926 63.100 -0.071 0.000 0.763 172 P CB 0.484 32.141 31.700 -0.072 0.000 0.805 173 D N -0.655 119.691 120.400 -0.091 0.000 2.333 173 D HA -0.040 4.393 4.640 -0.346 0.000 0.208 173 D C 0.724 176.981 176.300 -0.071 0.000 0.984 173 D CA 0.344 54.282 54.000 -0.104 0.000 0.873 173 D CB -0.449 40.309 40.800 -0.069 0.000 0.935 173 D HN 0.206 nan 8.370 nan 0.000 0.521 174 D N 1.509 121.883 120.400 -0.044 0.000 2.658 174 D HA -0.119 4.314 4.640 -0.346 0.000 0.230 174 D C 0.596 176.898 176.300 0.002 0.000 1.118 174 D CA 0.322 54.312 54.000 -0.017 0.000 0.848 174 D CB 0.627 41.421 40.800 -0.009 0.000 1.160 174 D HN 0.073 nan 8.370 nan 0.000 0.497 175 R N 3.248 123.758 120.500 0.016 0.000 2.449 175 R HA 0.126 4.259 4.340 -0.346 0.000 0.262 175 R C 0.596 176.922 176.300 0.043 0.000 1.006 175 R CA 0.039 56.165 56.100 0.044 0.000 1.104 175 R CB 0.449 30.773 30.300 0.040 0.000 1.206 175 R HN 0.276 nan 8.270 nan 0.000 0.538 176 R N 0.322 120.843 120.500 0.036 0.000 2.590 176 R HA 0.277 4.409 4.340 -0.346 0.000 0.410 176 R C -0.141 176.185 176.300 0.043 0.000 1.010 176 R CA -0.192 55.925 56.100 0.029 0.000 1.155 176 R CB 0.677 30.983 30.300 0.009 0.000 1.455 176 R HN 0.062 nan 8.270 nan 0.000 0.567 177 I N 2.533 123.151 120.570 0.079 0.000 2.472 177 I HA 0.082 4.045 4.170 -0.346 0.000 0.305 177 I C -0.091 176.129 176.117 0.173 0.000 1.196 177 I CA 0.724 62.097 61.300 0.121 0.000 1.613 177 I CB -0.308 37.793 38.000 0.169 0.000 1.501 177 I HN 0.060 nan 8.210 nan 0.000 0.754 178 I N 5.576 126.207 120.570 0.101 0.000 2.569 178 I HA 0.461 4.424 4.170 -0.346 0.000 0.296 178 I C -0.319 175.827 176.117 0.048 0.000 1.028 178 I CA -0.739 60.607 61.300 0.077 0.000 1.082 178 I CB 2.420 40.432 38.000 0.019 0.000 1.264 178 I HN 0.465 nan 8.210 nan 0.000 0.429 179 M N 6.795 126.419 119.600 0.040 0.000 2.142 179 M HA 0.438 4.711 4.480 -0.346 0.000 0.299 179 M C -1.689 174.606 176.300 -0.008 0.000 0.960 179 M CA -0.241 55.034 55.300 -0.043 0.000 0.920 179 M CB 1.356 33.865 32.600 -0.151 0.000 1.541 179 M HN 0.719 nan 8.290 nan 0.000 0.429 180 C N 4.353 123.675 119.300 0.036 0.000 2.319 180 C HA 0.835 5.087 4.460 -0.346 0.000 0.323 180 C C 1.131 176.327 174.990 0.343 0.000 1.277 180 C CA -0.004 59.115 59.018 0.167 0.000 1.517 180 C CB 0.503 28.305 27.740 0.103 0.000 2.206 180 C HN 1.036 nan 8.230 nan 0.000 0.486 181 A N 5.319 128.401 122.820 0.437 0.000 2.095 181 A HA 0.164 4.276 4.320 -0.346 0.000 0.212 181 A C 0.954 178.742 177.584 0.339 0.000 1.162 181 A CA -0.157 52.149 52.037 0.448 0.000 0.753 181 A CB -0.209 19.084 19.000 0.488 0.000 0.840 181 A HN 0.919 nan 8.150 nan 0.000 0.468 182 W N 2.240 123.671 121.300 0.218 0.000 2.565 182 W HA 0.174 4.656 4.660 -0.297 0.000 0.325 182 W C -0.698 175.952 176.519 0.218 0.000 1.408 182 W CA 0.117 57.560 57.345 0.163 0.000 1.350 182 W CB 0.267 29.820 29.460 0.155 0.000 1.426 182 W HN 0.226 nan 8.180 nan 0.000 0.538 183 N N 8.125 126.648 118.700 -0.295 0.000 2.776 183 N HA 0.188 4.720 4.740 -0.346 0.000 0.245 183 N C -1.828 173.477 175.510 -0.341 0.000 1.121 183 N CA -1.866 51.052 53.050 -0.220 0.000 0.852 183 N CB 1.285 39.481 38.487 -0.483 0.000 1.142 183 N HN 0.070 nan 8.380 nan 0.000 0.514 184 P HA -0.239 nan 4.420 nan 0.000 0.222 184 P C 1.251 178.482 177.300 -0.116 0.000 1.155 184 P CA 1.473 64.511 63.100 -0.104 0.000 0.890 184 P CB 0.355 32.114 31.700 0.099 0.000 0.790 185 R N -0.609 119.831 120.500 -0.099 0.000 2.115 185 R HA -0.100 4.032 4.340 -0.346 0.000 0.230 185 R C 1.292 177.511 176.300 -0.134 0.000 1.111 185 R CA 1.630 57.677 56.100 -0.089 0.000 0.976 185 R CB -0.446 29.818 30.300 -0.060 0.000 0.870 185 R HN 0.095 nan 8.270 nan 0.000 0.445 186 D N -0.026 120.246 120.400 -0.213 0.000 2.354 186 D HA -0.036 4.397 4.640 -0.346 0.000 0.209 186 D C 1.607 177.757 176.300 -0.251 0.000 1.015 186 D CA 0.155 54.015 54.000 -0.233 0.000 0.867 186 D CB 0.150 40.779 40.800 -0.285 0.000 0.933 186 D HN 0.106 nan 8.370 nan 0.000 0.520 187 L N 1.288 122.342 121.223 -0.282 0.000 2.030 187 L HA -0.196 3.936 4.340 -0.346 0.000 0.222 187 L C -0.598 176.197 176.870 -0.126 0.000 1.082 187 L CA 2.134 56.812 54.840 -0.269 0.000 0.785 187 L CB -2.000 39.888 42.059 -0.284 0.000 0.895 187 L HN 0.075 nan 8.230 nan 0.000 0.439 188 P HA -0.152 nan 4.420 nan 0.000 0.222 188 P C 1.366 178.714 177.300 0.081 0.000 1.142 188 P CA 1.253 64.365 63.100 0.021 0.000 0.788 188 P CB -0.017 31.689 31.700 0.009 0.000 0.767 189 L N -3.330 117.854 121.223 -0.066 0.000 2.728 189 L HA 0.250 4.383 4.340 -0.346 0.000 0.238 189 L C 0.758 177.499 176.870 -0.215 0.000 1.143 189 L CA -0.196 54.506 54.840 -0.230 0.000 0.937 189 L CB -0.254 41.621 42.059 -0.307 0.000 1.225 189 L HN -0.035 nan 8.230 nan 0.000 0.507 190 M N -0.195 119.371 119.600 -0.056 0.000 2.233 190 M HA 0.322 4.595 4.480 -0.346 0.000 0.355 190 M C 1.319 177.751 176.300 0.219 0.000 1.191 190 M CA -0.196 55.081 55.300 -0.037 0.000 1.101 190 M CB 1.776 34.288 32.600 -0.146 0.000 1.592 190 M HN 0.029 nan 8.290 nan 0.000 0.461 191 A N 3.862 126.848 122.820 0.277 0.000 2.067 191 A HA 0.106 4.218 4.320 -0.346 0.000 0.219 191 A C 0.711 178.539 177.584 0.407 0.000 1.158 191 A CA 1.059 53.350 52.037 0.423 0.000 0.661 191 A CB 0.277 19.557 19.000 0.468 0.000 0.801 191 A HN 0.695 nan 8.150 nan 0.000 0.452 192 L N -0.448 120.955 121.223 0.299 0.000 2.849 192 L HA 0.299 4.431 4.340 -0.346 0.000 0.256 192 L C -3.159 173.822 176.870 0.186 0.000 0.951 192 L CA -1.236 53.787 54.840 0.305 0.000 1.003 192 L CB 1.476 43.791 42.059 0.428 0.000 1.408 192 L HN -0.041 nan 8.230 nan 0.000 0.463 193 P HA 0.111 nan 4.420 nan 0.000 0.267 193 P C -2.462 174.906 177.300 0.113 0.000 1.195 193 P CA -0.386 62.723 63.100 0.014 0.000 0.773 193 P CB -0.140 31.610 31.700 0.083 0.000 0.837 194 P HA -0.029 nan 4.420 nan 0.000 0.264 194 P C 0.172 177.721 177.300 0.415 0.000 1.193 194 P CA 0.300 63.414 63.100 0.024 0.000 0.763 194 P CB 0.178 31.874 31.700 -0.006 0.000 0.810 195 C N 1.250 120.849 119.300 0.498 0.000 2.524 195 C HA 0.010 4.262 4.460 -0.346 0.000 0.284 195 C C 1.085 176.341 174.990 0.443 0.000 1.346 195 C CA 0.327 59.617 59.018 0.454 0.000 1.739 195 C CB -1.677 26.354 27.740 0.486 0.000 2.119 195 C HN 0.683 nan 8.230 nan 0.000 0.501 196 H N -0.643 118.736 119.070 0.514 0.000 2.787 196 H HA 0.638 4.980 4.556 -0.357 0.000 0.275 196 H C 0.524 176.174 175.328 0.536 0.000 1.183 196 H CA 0.112 56.410 56.048 0.418 0.000 1.290 196 H CB 0.445 30.472 29.762 0.442 0.000 1.438 196 H HN 0.171 nan 8.280 nan 0.000 0.487 197 A N 4.094 127.177 122.820 0.439 0.000 2.147 197 A HA 0.262 4.374 4.320 -0.346 0.000 0.211 197 A C 0.415 178.239 177.584 0.400 0.000 1.160 197 A CA 0.160 52.473 52.037 0.460 0.000 0.781 197 A CB 0.304 19.585 19.000 0.468 0.000 0.842 197 A HN 0.666 nan 8.150 nan 0.000 0.475 198 L N -0.316 121.101 121.223 0.324 0.000 2.549 198 L HA 0.535 4.668 4.340 -0.346 0.000 0.259 198 L C -1.587 175.350 176.870 0.111 0.000 0.934 198 L CA -0.973 53.994 54.840 0.211 0.000 0.865 198 L CB 1.921 44.072 42.059 0.153 0.000 1.352 198 L HN 0.362 nan 8.230 nan 0.000 0.410 199 C N 2.093 121.412 119.300 0.033 0.000 2.888 199 C HA 0.800 5.053 4.460 -0.346 0.000 0.308 199 C C -0.804 174.090 174.990 -0.159 0.000 1.213 199 C CA -0.555 58.398 59.018 -0.108 0.000 1.461 199 C CB 1.417 29.064 27.740 -0.154 0.000 1.934 199 C HN 1.003 nan 8.230 nan 0.000 0.474 200 Q N 1.420 121.072 119.800 -0.247 0.000 2.394 200 Q HA 0.764 4.897 4.340 -0.346 0.000 0.273 200 Q C -1.879 173.940 176.000 -0.300 0.000 1.089 200 Q CA -0.408 55.301 55.803 -0.156 0.000 0.812 200 Q CB 1.741 30.453 28.738 -0.043 0.000 1.353 200 Q HN 0.749 nan 8.270 nan 0.000 0.438 201 F N 1.707 121.713 119.950 0.094 0.000 2.483 201 F HA 0.601 4.937 4.527 -0.319 0.000 0.329 201 F C -0.728 175.184 175.800 0.187 0.000 1.064 201 F CA -0.648 57.430 58.000 0.130 0.000 0.986 201 F CB 1.481 40.538 39.000 0.094 0.000 1.218 201 F HN 0.554 nan 8.300 nan 0.000 0.484 202 Y N 0.432 120.865 120.300 0.221 0.000 2.544 202 Y HA 0.721 5.064 4.550 -0.345 0.000 0.342 202 Y C -1.959 174.008 175.900 0.112 0.000 1.062 202 Y CA -1.073 57.100 58.100 0.122 0.000 1.023 202 Y CB 1.648 40.149 38.460 0.068 0.000 1.308 202 Y HN 0.373 nan 8.280 nan 0.000 0.457 203 V N 5.477 125.217 119.914 -0.291 0.000 2.789 203 V HA 0.857 4.769 4.120 -0.346 0.000 0.311 203 V C -1.242 174.641 176.094 -0.351 0.000 1.073 203 V CA -0.883 61.306 62.300 -0.185 0.000 0.921 203 V CB 1.781 33.542 31.823 -0.103 0.000 1.009 203 V HN 0.655 nan 8.190 nan 0.000 0.426 204 V N 3.605 123.454 119.914 -0.108 0.000 2.915 204 V HA 0.410 4.323 4.120 -0.346 0.000 0.282 204 V C -0.394 175.707 176.094 0.012 0.000 1.445 204 V CA -0.822 61.442 62.300 -0.060 0.000 0.953 204 V CB 2.265 34.107 31.823 0.032 0.000 1.140 204 V HN 0.962 nan 8.190 nan 0.000 0.440 205 N N 2.852 121.552 118.700 -0.001 0.000 2.735 205 N HA -0.184 4.348 4.740 -0.346 0.000 0.248 205 N C 0.668 176.182 175.510 0.007 0.000 1.083 205 N CA 1.277 54.333 53.050 0.010 0.000 0.703 205 N CB -1.156 37.347 38.487 0.027 0.000 1.005 205 N HN 1.040 nan 8.380 nan 0.000 0.550 206 S N -2.348 113.349 115.700 -0.004 0.000 3.261 206 S HA -0.259 4.003 4.470 -0.346 0.000 0.287 206 S C 0.134 174.737 174.600 0.006 0.000 1.281 206 S CA 1.681 59.878 58.200 -0.005 0.000 1.053 206 S CB -1.004 62.191 63.200 -0.007 0.000 1.251 206 S HN 0.864 nan 8.310 nan 0.000 0.659 207 E N 0.132 120.347 120.200 0.025 0.000 2.222 207 E HA 0.706 4.849 4.350 -0.346 0.000 0.267 207 E C -0.679 175.970 176.600 0.083 0.000 0.884 207 E CA -1.144 55.281 56.400 0.042 0.000 0.764 207 E CB 1.582 31.309 29.700 0.046 0.000 1.169 207 E HN 0.142 nan 8.360 nan 0.000 0.413 208 L N 2.269 123.546 121.223 0.090 0.000 2.275 208 L HA 0.415 4.548 4.340 -0.346 0.000 0.288 208 L C -0.933 176.068 176.870 0.218 0.000 1.046 208 L CA 0.133 55.068 54.840 0.158 0.000 0.805 208 L CB 1.459 43.599 42.059 0.135 0.000 1.193 208 L HN 0.627 nan 8.230 nan 0.000 0.426 209 S N 3.322 119.195 115.700 0.289 0.000 2.607 209 S HA 0.710 4.973 4.470 -0.346 0.000 0.303 209 S C -1.336 173.424 174.600 0.267 0.000 1.086 209 S CA -0.602 57.752 58.200 0.257 0.000 0.995 209 S CB 1.628 64.941 63.200 0.188 0.000 1.084 209 S HN 0.838 nan 8.310 nan 0.000 0.507 210 C N 2.506 121.916 119.300 0.183 0.000 2.686 210 C HA 0.738 4.991 4.460 -0.346 0.000 0.318 210 C C -1.041 173.946 174.990 -0.004 0.000 1.160 210 C CA -0.318 58.689 59.018 -0.018 0.000 1.396 210 C CB 0.807 28.548 27.740 0.002 0.000 1.924 210 C HN 0.986 nan 8.230 nan 0.000 0.471 211 Q N 3.566 123.268 119.800 -0.163 0.000 2.365 211 Q HA 0.803 4.935 4.340 -0.346 0.000 0.269 211 Q C -1.772 174.117 176.000 -0.185 0.000 1.061 211 Q CA -0.691 54.993 55.803 -0.199 0.000 0.816 211 Q CB 2.003 30.637 28.738 -0.173 0.000 1.325 211 Q HN 0.850 nan 8.270 nan 0.000 0.446 212 L N 3.194 124.303 121.223 -0.191 0.000 2.381 212 L HA 0.510 4.642 4.340 -0.346 0.000 0.268 212 L C -2.117 174.731 176.870 -0.036 0.000 0.997 212 L CA -0.576 54.167 54.840 -0.160 0.000 0.818 212 L CB 1.864 43.726 42.059 -0.328 0.000 1.310 212 L HN 0.733 nan 8.230 nan 0.000 0.416 213 Y N 3.591 123.849 120.300 -0.070 0.000 2.369 213 Y HA 0.467 4.973 4.550 -0.072 0.000 0.337 213 Y C -0.449 175.477 175.900 0.043 0.000 0.961 213 Y CA -0.103 57.971 58.100 -0.043 0.000 1.186 213 Y CB 1.048 39.474 38.460 -0.058 0.000 1.139 213 Y HN 0.730 nan 8.280 nan 0.000 0.494 214 Q N 7.062 126.591 119.800 -0.451 0.000 2.466 214 Q HA 0.223 4.355 4.340 -0.346 0.000 0.242 214 Q C 1.115 176.899 176.000 -0.361 0.000 1.046 214 Q CA -0.550 55.148 55.803 -0.175 0.000 0.841 214 Q CB 0.641 29.422 28.738 0.071 0.000 1.193 214 Q HN 0.981 nan 8.270 nan 0.000 0.508 215 R N 1.001 121.372 120.500 -0.215 0.000 2.103 215 R HA -0.074 4.059 4.340 -0.346 0.000 0.242 215 R C 0.504 176.831 176.300 0.044 0.000 1.142 215 R CA 1.307 57.362 56.100 -0.075 0.000 0.960 215 R CB -0.055 30.276 30.300 0.050 0.000 0.858 215 R HN 0.289 nan 8.270 nan 0.000 0.439 216 S N -0.502 115.276 115.700 0.130 0.000 2.521 216 S HA 0.618 4.881 4.470 -0.346 0.000 0.295 216 S C -0.875 173.841 174.600 0.192 0.000 1.098 216 S CA -0.430 57.907 58.200 0.229 0.000 0.999 216 S CB 2.039 65.421 63.200 0.304 0.000 1.034 216 S HN 0.495 nan 8.310 nan 0.000 0.483 217 G N 2.620 111.474 108.800 0.090 0.000 2.805 217 G HA2 0.342 4.095 3.960 -0.346 0.000 0.283 217 G HA3 0.342 4.095 3.960 -0.346 0.000 0.283 217 G C -1.296 173.310 174.900 -0.489 0.000 1.508 217 G CA -0.554 44.505 45.100 -0.068 0.000 1.042 217 G HN 0.639 nan 8.290 nan 0.000 0.543 218 D N 3.890 124.112 120.400 -0.297 0.000 2.383 218 D HA 0.067 4.500 4.640 -0.346 0.000 0.245 218 D C 1.697 177.970 176.300 -0.045 0.000 1.263 218 D CA -0.594 53.231 54.000 -0.292 0.000 0.936 218 D CB 0.705 41.591 40.800 0.143 0.000 1.053 218 D HN 0.126 nan 8.370 nan 0.000 0.507 219 M N 2.679 122.238 119.600 -0.069 0.000 2.202 219 M HA -0.048 4.225 4.480 -0.346 0.000 0.262 219 M C 1.968 178.425 176.300 0.262 0.000 1.063 219 M CA 1.038 56.426 55.300 0.147 0.000 1.097 219 M CB -1.194 31.471 32.600 0.110 0.000 1.382 219 M HN 0.483 nan 8.290 nan 0.000 0.413 220 G N -0.588 108.371 108.800 0.266 0.000 2.408 220 G HA2 0.034 3.787 3.960 -0.346 0.000 0.215 220 G HA3 0.034 3.787 3.960 -0.346 0.000 0.215 220 G C 1.622 176.605 174.900 0.139 0.000 1.156 220 G CA 0.347 45.584 45.100 0.228 0.000 0.793 220 G HN 0.403 nan 8.290 nan 0.000 0.535 221 L N -0.765 120.566 121.223 0.180 0.000 2.783 221 L HA 0.312 4.445 4.340 -0.346 0.000 0.174 221 L C 3.030 179.934 176.870 0.056 0.000 1.235 221 L CA 0.636 55.526 54.840 0.083 0.000 0.862 221 L CB -0.784 41.316 42.059 0.068 0.000 1.249 221 L HN 0.187 nan 8.230 nan 0.000 0.518 222 G N 0.340 109.178 108.800 0.064 0.000 2.491 222 G HA2 -0.229 3.523 3.960 -0.346 0.000 0.218 222 G HA3 -0.229 3.523 3.960 -0.346 0.000 0.218 222 G C 1.557 176.551 174.900 0.157 0.000 1.180 222 G CA 1.267 46.421 45.100 0.091 0.000 0.774 222 G HN 0.107 nan 8.290 nan 0.000 0.562 223 V N 2.206 122.205 119.914 0.142 0.000 2.278 223 V HA -0.178 3.734 4.120 -0.346 0.000 0.251 223 V C 0.448 176.538 176.094 -0.008 0.000 1.062 223 V CA 2.545 64.918 62.300 0.122 0.000 1.038 223 V CB -1.176 30.773 31.823 0.211 0.000 0.646 223 V HN 0.326 nan 8.190 nan 0.000 0.447 224 P HA -0.113 nan 4.420 nan 0.000 0.218 224 P C 1.578 178.877 177.300 -0.002 0.000 1.149 224 P CA 1.342 64.370 63.100 -0.120 0.000 0.817 224 P CB -0.064 31.614 31.700 -0.037 0.000 0.785 225 F N 0.161 120.058 119.950 -0.088 0.000 2.074 225 F HA -0.110 4.207 4.527 -0.350 0.000 0.293 225 F C 2.085 177.816 175.800 -0.116 0.000 1.116 225 F CA 1.551 59.506 58.000 -0.075 0.000 1.212 225 F CB -1.348 37.634 39.000 -0.031 0.000 0.998 225 F HN -0.110 nan 8.300 nan 0.000 0.471 226 N N 0.427 119.194 118.700 0.111 0.000 2.036 226 N HA -0.276 4.257 4.740 -0.346 0.000 0.199 226 N C 1.948 177.377 175.510 -0.135 0.000 1.036 226 N CA 1.939 54.993 53.050 0.005 0.000 0.870 226 N CB -0.435 38.075 38.487 0.039 0.000 1.055 226 N HN 0.188 nan 8.380 nan 0.000 0.436 227 I N 1.063 121.467 120.570 -0.278 0.000 2.151 227 I HA -0.322 3.641 4.170 -0.346 0.000 0.243 227 I C 2.496 178.263 176.117 -0.583 0.000 1.080 227 I CA 1.288 62.328 61.300 -0.433 0.000 1.339 227 I CB -0.465 37.218 38.000 -0.529 0.000 1.039 227 I HN 0.233 nan 8.210 nan 0.000 0.409 228 A N -0.551 121.989 122.820 -0.467 0.000 1.969 228 A HA -0.200 3.913 4.320 -0.346 0.000 0.218 228 A C 2.469 179.898 177.584 -0.258 0.000 1.169 228 A CA 1.959 53.730 52.037 -0.443 0.000 0.635 228 A CB -0.645 18.227 19.000 -0.214 0.000 0.810 228 A HN 0.409 nan 8.150 nan 0.000 0.445 229 S N -1.719 113.811 115.700 -0.284 0.000 2.368 229 S HA -0.164 4.099 4.470 -0.346 0.000 0.225 229 S C 1.863 176.243 174.600 -0.367 0.000 1.030 229 S CA 1.541 59.567 58.200 -0.291 0.000 0.999 229 S CB -0.476 62.571 63.200 -0.256 0.000 0.844 229 S HN 0.623 nan 8.310 nan 0.000 0.459 230 Y N 1.259 121.310 120.300 -0.415 0.000 2.337 230 Y HA 0.237 4.601 4.550 -0.310 0.000 0.293 230 Y C 2.591 178.195 175.900 -0.492 0.000 1.123 230 Y CA 0.661 58.483 58.100 -0.464 0.000 1.201 230 Y CB -0.509 37.529 38.460 -0.703 0.000 1.011 230 Y HN 0.367 nan 8.280 nan 0.000 0.545 231 A N -0.205 122.285 122.820 -0.550 0.000 1.969 231 A HA -0.142 3.970 4.320 -0.346 0.000 0.218 231 A C 2.214 179.899 177.584 0.169 0.000 1.169 231 A CA 1.205 53.052 52.037 -0.316 0.000 0.635 231 A CB -0.830 17.696 19.000 -0.791 0.000 0.810 231 A HN 0.525 nan 8.150 nan 0.000 0.445 232 L N -1.066 120.255 121.223 0.164 0.000 2.044 232 L HA -0.104 4.028 4.340 -0.346 0.000 0.205 232 L C 2.452 179.346 176.870 0.040 0.000 1.075 232 L CA 1.525 56.439 54.840 0.123 0.000 0.747 232 L CB -0.277 41.731 42.059 -0.084 0.000 0.903 232 L HN 0.430 nan 8.230 nan 0.000 0.435 233 L N -0.192 121.021 121.223 -0.017 0.000 2.043 233 L HA -0.237 3.895 4.340 -0.346 0.000 0.212 233 L C 2.366 179.347 176.870 0.185 0.000 1.075 233 L CA 2.407 57.273 54.840 0.043 0.000 0.752 233 L CB -0.894 41.168 42.059 0.005 0.000 0.891 233 L HN 0.243 nan 8.230 nan 0.000 0.432 234 T N -1.488 113.232 114.554 0.276 0.000 2.674 234 T HA -0.224 3.918 4.350 -0.346 0.000 0.265 234 T C 1.719 176.598 174.700 0.298 0.000 1.039 234 T CA 1.904 64.218 62.100 0.356 0.000 1.150 234 T CB -0.587 68.499 68.868 0.363 0.000 0.864 234 T HN 0.304 nan 8.240 nan 0.000 0.427 235 Y N 1.309 121.702 120.300 0.155 0.000 2.114 235 Y HA -0.158 4.182 4.550 -0.349 0.000 0.282 235 Y C 2.597 178.590 175.900 0.155 0.000 1.165 235 Y CA 1.183 59.378 58.100 0.159 0.000 1.148 235 Y CB -0.623 37.931 38.460 0.158 0.000 0.972 235 Y HN 0.167 nan 8.280 nan 0.000 0.504 236 M N -0.776 118.972 119.600 0.247 0.000 2.082 236 M HA -0.294 3.978 4.480 -0.346 0.000 0.258 236 M C 2.171 178.634 176.300 0.273 0.000 1.071 236 M CA 1.983 57.360 55.300 0.129 0.000 1.103 236 M CB -0.718 31.855 32.600 -0.045 0.000 1.307 236 M HN 0.217 nan 8.290 nan 0.000 0.409 237 I N -0.068 120.607 120.570 0.175 0.000 2.286 237 I HA -0.257 3.706 4.170 -0.346 0.000 0.248 237 I C 2.651 178.827 176.117 0.099 0.000 1.115 237 I CA 1.117 62.470 61.300 0.089 0.000 1.392 237 I CB -0.551 37.384 38.000 -0.108 0.000 1.065 237 I HN 0.297 nan 8.210 nan 0.000 0.418 238 A N 0.008 122.899 122.820 0.117 0.000 1.933 238 A HA -0.272 3.840 4.320 -0.346 0.000 0.218 238 A C 2.330 179.985 177.584 0.119 0.000 1.175 238 A CA 1.646 53.730 52.037 0.078 0.000 0.628 238 A CB -0.890 18.124 19.000 0.023 0.000 0.814 238 A HN 0.494 nan 8.150 nan 0.000 0.444 239 H N 0.323 119.452 119.070 0.098 0.000 2.270 239 H HA -0.050 4.298 4.556 -0.347 0.000 0.299 239 H C 1.923 177.314 175.328 0.105 0.000 1.077 239 H CA 2.052 58.175 56.048 0.125 0.000 1.294 239 H CB -0.363 29.541 29.762 0.237 0.000 1.371 239 H HN 0.436 nan 8.280 nan 0.000 0.491 240 I N 1.040 121.859 120.570 0.414 0.000 2.423 240 I HA -0.226 3.737 4.170 -0.346 0.000 0.254 240 I C 2.175 178.347 176.117 0.091 0.000 1.151 240 I CA 1.767 63.210 61.300 0.238 0.000 1.421 240 I CB -0.228 37.874 38.000 0.170 0.000 1.079 240 I HN 0.415 nan 8.210 nan 0.000 0.431 241 T N -2.744 111.848 114.554 0.062 0.000 3.060 241 T HA 0.285 4.428 4.350 -0.346 0.000 0.249 241 T C 1.384 176.079 174.700 -0.009 0.000 1.079 241 T CA 0.355 62.462 62.100 0.011 0.000 1.013 241 T CB 0.535 69.399 68.868 -0.007 0.000 0.975 241 T HN 0.466 nan 8.240 nan 0.000 0.518 242 G N 1.399 110.188 108.800 -0.019 0.000 2.256 242 G HA2 -0.157 3.596 3.960 -0.346 0.000 0.272 242 G HA3 -0.157 3.596 3.960 -0.346 0.000 0.272 242 G C -0.299 174.579 174.900 -0.036 0.000 1.076 242 G CA 0.224 45.295 45.100 -0.049 0.000 0.882 242 G HN 0.658 nan 8.290 nan 0.000 0.497 243 L N -1.102 120.107 121.223 -0.024 0.000 2.333 243 L HA 0.703 4.836 4.340 -0.346 0.000 0.263 243 L C 0.249 177.101 176.870 -0.030 0.000 1.014 243 L CA -1.355 53.474 54.840 -0.019 0.000 0.820 243 L CB 1.958 44.015 42.059 -0.003 0.000 1.352 243 L HN 0.004 nan 8.230 nan 0.000 0.421 244 K N 1.901 122.281 120.400 -0.032 0.000 2.156 244 K HA 0.460 4.572 4.320 -0.346 0.000 0.271 244 K C -2.629 173.930 176.600 -0.068 0.000 0.995 244 K CA -1.921 54.329 56.287 -0.062 0.000 0.890 244 K CB 1.912 34.388 32.500 -0.040 0.000 1.073 244 K HN 0.129 nan 8.250 nan 0.000 0.454 245 P HA -0.003 nan 4.420 nan 0.000 0.265 245 P C -0.157 177.137 177.300 -0.010 0.000 1.187 245 P CA 0.180 63.197 63.100 -0.139 0.000 0.766 245 P CB 0.811 32.240 31.700 -0.452 0.000 0.820 246 G N 2.193 111.036 108.800 0.073 0.000 2.754 246 G HA2 0.164 3.917 3.960 -0.346 0.000 0.210 246 G HA3 0.164 3.917 3.960 -0.346 0.000 0.210 246 G C -0.521 174.453 174.900 0.122 0.000 2.092 246 G CA 0.067 45.226 45.100 0.098 0.000 0.766 246 G HN 0.395 nan 8.290 nan 0.000 0.745 247 D N -0.845 119.637 120.400 0.137 0.000 2.423 247 D HA 0.481 4.914 4.640 -0.346 0.000 0.235 247 D C -1.695 174.738 176.300 0.222 0.000 1.011 247 D CA -0.336 53.753 54.000 0.147 0.000 0.963 247 D CB 2.713 43.551 40.800 0.064 0.000 1.349 247 D HN 0.079 nan 8.370 nan 0.000 0.508 248 F N 1.735 121.746 119.950 0.102 0.000 2.445 248 F HA 0.426 4.746 4.527 -0.346 0.000 0.348 248 F C -1.262 174.616 175.800 0.130 0.000 1.125 248 F CA -0.958 57.104 58.000 0.103 0.000 0.983 248 F CB 0.415 39.479 39.000 0.106 0.000 1.198 248 F HN 0.059 nan 8.300 nan 0.000 0.436 249 I N 6.296 126.534 120.570 -0.553 0.000 2.301 249 I HA 0.175 4.138 4.170 -0.346 0.000 0.292 249 I C -0.004 175.661 176.117 -0.754 0.000 1.046 249 I CA -0.123 60.869 61.300 -0.513 0.000 1.282 249 I CB 0.537 38.360 38.000 -0.294 0.000 1.409 249 I HN 0.553 nan 8.210 nan 0.000 0.484 250 H N 5.749 124.410 119.070 -0.682 0.000 2.640 250 H HA 0.406 4.750 4.556 -0.354 0.000 0.297 250 H C -0.885 174.295 175.328 -0.247 0.000 1.073 250 H CA -0.497 55.273 56.048 -0.465 0.000 1.305 250 H CB 0.698 30.403 29.762 -0.095 0.000 1.404 250 H HN 0.526 nan 8.280 nan 0.000 0.459 251 T N 7.084 121.458 114.554 -0.299 0.000 2.770 251 T HA 0.226 4.369 4.350 -0.346 0.000 0.283 251 T C -0.292 174.093 174.700 -0.524 0.000 0.988 251 T CA -0.811 61.076 62.100 -0.354 0.000 0.957 251 T CB 0.808 69.573 68.868 -0.172 0.000 0.930 251 T HN 0.329 nan 8.240 nan 0.000 0.443 252 L N 2.698 123.600 121.223 -0.536 0.000 2.322 252 L HA 0.602 4.735 4.340 -0.346 0.000 0.279 252 L C 1.234 177.811 176.870 -0.489 0.000 1.036 252 L CA 0.122 54.666 54.840 -0.494 0.000 0.807 252 L CB 1.222 43.055 42.059 -0.377 0.000 1.226 252 L HN 0.837 nan 8.230 nan 0.000 0.433 253 G N 1.258 109.788 108.800 -0.450 0.000 2.600 253 G HA2 -0.049 3.703 3.960 -0.346 0.000 0.225 253 G HA3 -0.049 3.703 3.960 -0.346 0.000 0.225 253 G C -0.182 174.690 174.900 -0.048 0.000 1.623 253 G CA 0.131 45.008 45.100 -0.372 0.000 0.903 253 G HN 0.553 nan 8.290 nan 0.000 0.574 254 D N 1.570 122.087 120.400 0.195 0.000 2.479 254 D HA 0.528 4.961 4.640 -0.346 0.000 0.218 254 D C -0.086 176.361 176.300 0.244 0.000 1.131 254 D CA -0.454 53.731 54.000 0.307 0.000 0.916 254 D CB 0.531 41.499 40.800 0.281 0.000 1.022 254 D HN 0.271 nan 8.370 nan 0.000 0.515 255 A N 5.034 127.927 122.820 0.122 0.000 2.276 255 A HA 0.518 4.631 4.320 -0.346 0.000 0.300 255 A C -0.170 177.451 177.584 0.062 0.000 1.235 255 A CA -0.511 51.532 52.037 0.010 0.000 0.867 255 A CB 0.294 19.265 19.000 -0.049 0.000 1.137 255 A HN 0.709 nan 8.150 nan 0.000 0.527 256 H N 0.580 119.621 119.070 -0.048 0.000 2.894 256 H HA 0.685 5.031 4.556 -0.349 0.000 0.368 256 H C -1.680 173.565 175.328 -0.138 0.000 1.181 256 H CA -1.362 54.617 56.048 -0.114 0.000 1.146 256 H CB 1.373 31.002 29.762 -0.222 0.000 1.839 256 H HN 0.413 nan 8.280 nan 0.000 0.557 257 I N 2.510 123.071 120.570 -0.015 0.000 2.411 257 I HA 0.155 4.118 4.170 -0.346 0.000 0.284 257 I C -0.584 175.536 176.117 0.005 0.000 1.012 257 I CA -0.685 60.622 61.300 0.011 0.000 1.119 257 I CB 0.885 38.924 38.000 0.065 0.000 1.261 257 I HN 0.445 nan 8.210 nan 0.000 0.448 258 Y N 5.135 125.471 120.300 0.059 0.000 2.578 258 Y HA 0.005 4.349 4.550 -0.344 0.000 0.339 258 Y C 1.579 177.465 175.900 -0.022 0.000 1.231 258 Y CA -0.220 57.844 58.100 -0.059 0.000 1.461 258 Y CB 0.716 38.976 38.460 -0.333 0.000 1.323 258 Y HN 0.523 nan 8.280 nan 0.000 0.590 259 L N 1.657 122.983 121.223 0.172 0.000 2.081 259 L HA -0.281 3.852 4.340 -0.346 0.000 0.212 259 L C 1.781 178.719 176.870 0.114 0.000 1.080 259 L CA 1.547 56.454 54.840 0.112 0.000 0.754 259 L CB -0.466 41.642 42.059 0.081 0.000 0.893 259 L HN 0.763 nan 8.230 nan 0.000 0.433 260 N N -1.241 117.519 118.700 0.100 0.000 2.421 260 N HA -0.131 4.402 4.740 -0.346 0.000 0.201 260 N C 0.940 176.630 175.510 0.301 0.000 1.198 260 N CA 0.527 53.656 53.050 0.131 0.000 0.838 260 N CB -0.306 38.227 38.487 0.077 0.000 1.011 260 N HN 0.572 nan 8.380 nan 0.000 0.463 261 H N -0.611 118.528 119.070 0.114 0.000 3.046 261 H HA 0.331 4.679 4.556 -0.347 0.000 0.262 261 H C 1.615 176.990 175.328 0.079 0.000 1.044 261 H CA -0.417 55.695 56.048 0.107 0.000 1.209 261 H CB 0.906 30.763 29.762 0.157 0.000 1.507 261 H HN 0.059 nan 8.280 nan 0.000 0.507 262 I N 1.125 121.810 120.570 0.191 0.000 2.163 262 I HA -0.252 3.711 4.170 -0.346 0.000 0.243 262 I C 2.213 178.374 176.117 0.074 0.000 1.085 262 I CA 1.316 62.683 61.300 0.111 0.000 1.347 262 I CB -0.017 38.032 38.000 0.083 0.000 1.044 262 I HN 0.281 nan 8.210 nan 0.000 0.408 263 E N 0.490 120.731 120.200 0.069 0.000 2.047 263 E HA -0.137 4.005 4.350 -0.346 0.000 0.191 263 E C -0.129 176.490 176.600 0.032 0.000 0.987 263 E CA 1.315 57.741 56.400 0.042 0.000 0.799 263 E CB -1.596 28.126 29.700 0.037 0.000 0.752 263 E HN 0.396 nan 8.360 nan 0.000 0.449 264 P HA -0.120 nan 4.420 nan 0.000 0.215 264 P C 1.528 178.837 177.300 0.014 0.000 1.153 264 P CA 0.796 63.904 63.100 0.013 0.000 0.853 264 P CB 0.049 31.743 31.700 -0.010 0.000 0.788 265 L N -0.338 120.903 121.223 0.030 0.000 2.093 265 L HA -0.116 4.017 4.340 -0.346 0.000 0.208 265 L C 2.102 178.977 176.870 0.009 0.000 1.085 265 L CA 1.838 56.695 54.840 0.029 0.000 0.755 265 L CB -1.139 40.950 42.059 0.051 0.000 0.904 265 L HN -0.115 nan 8.230 nan 0.000 0.435 266 K N -0.788 119.618 120.400 0.010 0.000 2.147 266 K HA -0.130 3.983 4.320 -0.346 0.000 0.205 266 K C 2.053 178.645 176.600 -0.013 0.000 1.049 266 K CA 1.226 57.512 56.287 -0.003 0.000 0.936 266 K CB -0.128 32.374 32.500 0.004 0.000 0.722 266 K HN 0.308 nan 8.250 nan 0.000 0.446 267 I N 0.504 121.068 120.570 -0.011 0.000 2.333 267 I HA -0.243 3.720 4.170 -0.346 0.000 0.246 267 I C 2.713 178.806 176.117 -0.039 0.000 1.106 267 I CA 0.937 62.223 61.300 -0.023 0.000 1.411 267 I CB -0.170 37.821 38.000 -0.016 0.000 1.082 267 I HN 0.254 nan 8.210 nan 0.000 0.420 268 Q N 1.305 121.091 119.800 -0.023 0.000 2.124 268 Q HA -0.222 3.910 4.340 -0.346 0.000 0.202 268 Q C 2.377 178.353 176.000 -0.040 0.000 0.977 268 Q CA 1.489 57.278 55.803 -0.023 0.000 0.850 268 Q CB -0.040 28.719 28.738 0.034 0.000 0.901 268 Q HN 0.502 nan 8.270 nan 0.000 0.429 269 L N 0.346 121.547 121.223 -0.037 0.000 2.191 269 L HA -0.218 3.914 4.340 -0.346 0.000 0.212 269 L C 2.144 178.980 176.870 -0.056 0.000 1.103 269 L CA 1.238 56.048 54.840 -0.050 0.000 0.769 269 L CB -0.049 41.981 42.059 -0.050 0.000 0.908 269 L HN 0.405 nan 8.230 nan 0.000 0.438 270 Q N -0.730 119.033 119.800 -0.061 0.000 2.331 270 Q HA -0.012 4.120 4.340 -0.346 0.000 0.203 270 Q C 0.386 176.326 176.000 -0.100 0.000 0.944 270 Q CA 0.215 55.978 55.803 -0.066 0.000 0.892 270 Q CB 0.248 28.953 28.738 -0.055 0.000 0.983 270 Q HN 0.459 nan 8.270 nan 0.000 0.482 271 R N 1.200 121.602 120.500 -0.162 0.000 2.641 271 R HA 0.144 4.277 4.340 -0.346 0.000 0.269 271 R C -0.008 176.186 176.300 -0.177 0.000 1.074 271 R CA 0.000 55.913 56.100 -0.312 0.000 1.133 271 R CB 0.505 30.419 30.300 -0.643 0.000 1.029 271 R HN 0.068 nan 8.270 nan 0.000 0.488 272 E N 3.584 123.733 120.200 -0.085 0.000 2.197 272 E HA 0.237 4.380 4.350 -0.346 0.000 0.281 272 E C -2.106 174.599 176.600 0.175 0.000 0.995 272 E CA -2.278 54.154 56.400 0.053 0.000 0.808 272 E CB 1.255 31.001 29.700 0.077 0.000 1.093 272 E HN 0.304 nan 8.360 nan 0.000 0.394 273 P HA 0.096 nan 4.420 nan 0.000 0.272 273 P C -0.777 176.594 177.300 0.117 0.000 1.230 273 P CA -0.178 62.970 63.100 0.080 0.000 0.788 273 P CB 0.935 32.555 31.700 -0.133 0.000 0.949 274 R N 0.746 121.333 120.500 0.145 0.000 2.902 274 R HA 0.564 4.697 4.340 -0.346 0.000 0.258 274 R C -2.463 173.886 176.300 0.081 0.000 1.071 274 R CA -2.471 53.687 56.100 0.096 0.000 1.024 274 R CB -0.490 29.824 30.300 0.024 0.000 1.184 274 R HN 0.302 nan 8.270 nan 0.000 0.492 275 P HA 0.043 nan 4.420 nan 0.000 0.268 275 P C -0.405 176.839 177.300 -0.094 0.000 1.204 275 P CA 0.113 63.115 63.100 -0.163 0.000 0.768 275 P CB 0.168 31.837 31.700 -0.052 0.000 0.842 276 F N 4.873 124.708 119.950 -0.192 0.000 2.553 276 F HA 0.112 4.432 4.527 -0.345 0.000 0.356 276 F C -1.017 174.768 175.800 -0.025 0.000 1.142 276 F CA -1.462 56.496 58.000 -0.070 0.000 1.322 276 F CB -0.789 38.149 39.000 -0.102 0.000 1.126 276 F HN 0.322 nan 8.300 nan 0.000 0.599 277 P HA 0.221 nan 4.420 nan 0.000 0.297 277 P C -1.341 175.974 177.300 0.025 0.000 1.303 277 P CA -0.506 62.642 63.100 0.080 0.000 0.753 277 P CB 1.119 32.814 31.700 -0.009 0.000 1.281 278 K N -0.704 119.670 120.400 -0.043 0.000 2.267 278 K HA 0.561 4.673 4.320 -0.346 0.000 0.246 278 K C -0.889 175.590 176.600 -0.202 0.000 0.954 278 K CA -0.926 55.333 56.287 -0.046 0.000 0.824 278 K CB 1.425 33.928 32.500 0.006 0.000 1.167 278 K HN 0.231 nan 8.250 nan 0.000 0.431 279 L N 2.558 123.636 121.223 -0.243 0.000 2.294 279 L HA 0.390 4.523 4.340 -0.346 0.000 0.283 279 L C -0.663 176.135 176.870 -0.119 0.000 1.015 279 L CA -0.167 54.412 54.840 -0.435 0.000 0.831 279 L CB 0.966 42.440 42.059 -0.975 0.000 1.217 279 L HN 0.527 nan 8.230 nan 0.000 0.420 280 R N 5.165 125.618 120.500 -0.078 0.000 2.532 280 R HA 0.612 4.745 4.340 -0.346 0.000 0.295 280 R C -1.141 175.163 176.300 0.007 0.000 0.968 280 R CA -0.684 55.422 56.100 0.010 0.000 0.916 280 R CB 1.090 31.387 30.300 -0.005 0.000 1.124 280 R HN 0.747 nan 8.270 nan 0.000 0.463 281 I N 6.830 127.414 120.570 0.022 0.000 2.337 281 I HA 0.094 4.057 4.170 -0.346 0.000 0.285 281 I C 1.057 177.135 176.117 -0.066 0.000 1.041 281 I CA -0.366 60.866 61.300 -0.112 0.000 1.199 281 I CB 1.539 39.502 38.000 -0.063 0.000 1.370 281 I HN 0.636 nan 8.210 nan 0.000 0.470 282 L N 5.575 126.733 121.223 -0.108 0.000 2.651 282 L HA -0.006 4.127 4.340 -0.346 0.000 0.236 282 L C 1.048 177.899 176.870 -0.031 0.000 1.173 282 L CA 0.889 55.697 54.840 -0.053 0.000 0.843 282 L CB -0.881 41.148 42.059 -0.051 0.000 0.964 282 L HN 0.644 nan 8.230 nan 0.000 0.454 283 R N 0.314 120.799 120.500 -0.025 0.000 2.690 283 R HA 0.232 4.365 4.340 -0.346 0.000 0.269 283 R C -1.347 175.018 176.300 0.108 0.000 1.037 283 R CA -0.834 55.275 56.100 0.015 0.000 0.877 283 R CB 1.352 31.636 30.300 -0.027 0.000 1.255 283 R HN -0.174 nan 8.270 nan 0.000 0.467 284 K N 2.978 123.446 120.400 0.114 0.000 2.316 284 K HA 0.286 4.399 4.320 -0.346 0.000 0.289 284 K C -1.162 175.501 176.600 0.104 0.000 1.070 284 K CA -0.322 56.085 56.287 0.201 0.000 0.928 284 K CB 0.935 33.484 32.500 0.082 0.000 1.039 284 K HN 0.356 nan 8.250 nan 0.000 0.480 285 V N 4.583 124.581 119.914 0.140 0.000 2.555 285 V HA 0.168 4.081 4.120 -0.346 0.000 0.302 285 V C 0.672 176.686 176.094 -0.134 0.000 1.038 285 V CA -0.680 61.484 62.300 -0.225 0.000 0.887 285 V CB 1.669 32.974 31.823 -0.863 0.000 0.991 285 V HN 0.829 nan 8.190 nan 0.000 0.434 286 E N 2.037 122.140 120.200 -0.161 0.000 2.065 286 E HA 0.124 4.266 4.350 -0.346 0.000 0.191 286 E C 0.079 176.606 176.600 -0.121 0.000 0.960 286 E CA 0.548 56.892 56.400 -0.092 0.000 0.824 286 E CB 0.218 29.878 29.700 -0.067 0.000 0.793 286 E HN 0.470 nan 8.360 nan 0.000 0.459 287 K N 1.276 121.578 120.400 -0.164 0.000 2.130 287 K HA 0.264 4.376 4.320 -0.346 0.000 0.268 287 K C 1.169 177.650 176.600 -0.198 0.000 0.983 287 K CA -0.279 55.932 56.287 -0.126 0.000 0.893 287 K CB 2.023 34.474 32.500 -0.082 0.000 1.066 287 K HN 0.019 nan 8.250 nan 0.000 0.450 288 I N 1.203 121.733 120.570 -0.067 0.000 2.567 288 I HA -0.272 3.691 4.170 -0.346 0.000 0.257 288 I C 0.286 176.463 176.117 0.099 0.000 1.184 288 I CA 1.528 62.865 61.300 0.061 0.000 1.451 288 I CB 0.193 38.294 38.000 0.168 0.000 1.089 288 I HN 0.558 nan 8.210 nan 0.000 0.441 289 D N 0.398 120.814 120.400 0.026 0.000 2.355 289 D HA -0.105 4.327 4.640 -0.346 0.000 0.218 289 D C 1.411 177.722 176.300 0.017 0.000 1.004 289 D CA 0.452 54.485 54.000 0.055 0.000 0.880 289 D CB 0.051 40.877 40.800 0.043 0.000 0.911 289 D HN 0.324 nan 8.370 nan 0.000 0.528 290 D N -0.220 120.124 120.400 -0.095 0.000 2.194 290 D HA -0.036 4.397 4.640 -0.346 0.000 0.204 290 D C 0.275 176.535 176.300 -0.067 0.000 0.964 290 D CA 0.147 54.071 54.000 -0.127 0.000 0.846 290 D CB -0.139 40.517 40.800 -0.239 0.000 0.962 290 D HN 0.230 nan 8.370 nan 0.000 0.490 291 F N 1.650 121.616 119.950 0.027 0.000 2.623 291 F HA -0.061 4.259 4.527 -0.346 0.000 0.386 291 F C 1.407 177.262 175.800 0.092 0.000 1.068 291 F CA 0.428 58.466 58.000 0.064 0.000 1.265 291 F CB 0.414 39.522 39.000 0.179 0.000 1.026 291 F HN -0.390 nan 8.300 nan 0.000 0.568 292 K N 2.202 122.791 120.400 0.315 0.000 2.400 292 K HA 0.553 4.665 4.320 -0.346 0.000 0.246 292 K C 0.535 177.274 176.600 0.232 0.000 0.995 292 K CA -0.586 55.819 56.287 0.197 0.000 0.840 292 K CB 1.744 34.308 32.500 0.108 0.000 1.293 292 K HN 0.528 nan 8.250 nan 0.000 0.445 293 A N 1.242 124.144 122.820 0.136 0.000 1.986 293 A HA -0.220 3.893 4.320 -0.346 0.000 0.220 293 A C 1.509 179.198 177.584 0.175 0.000 1.171 293 A CA 1.914 54.019 52.037 0.114 0.000 0.640 293 A CB -0.503 18.499 19.000 0.004 0.000 0.811 293 A HN 0.791 nan 8.150 nan 0.000 0.451 294 E N 0.709 120.979 120.200 0.117 0.000 2.268 294 E HA -0.100 4.042 4.350 -0.346 0.000 0.195 294 E C 1.076 177.705 176.600 0.047 0.000 0.995 294 E CA 1.036 57.484 56.400 0.080 0.000 0.836 294 E CB -0.229 29.499 29.700 0.046 0.000 0.763 294 E HN 0.599 nan 8.360 nan 0.000 0.491 295 D N -0.433 119.974 120.400 0.012 0.000 2.348 295 D HA -0.047 4.385 4.640 -0.346 0.000 0.216 295 D C -0.137 175.874 176.300 -0.482 0.000 0.970 295 D CA 0.665 54.524 54.000 -0.235 0.000 0.889 295 D CB 0.076 40.683 40.800 -0.322 0.000 0.912 295 D HN 0.150 nan 8.370 nan 0.000 0.524 296 F N 0.037 119.985 119.950 -0.003 0.000 2.556 296 F HA 0.445 4.766 4.527 -0.344 0.000 0.327 296 F C 0.341 176.141 175.800 -0.001 0.000 1.059 296 F CA -0.920 57.067 58.000 -0.022 0.000 0.953 296 F CB 1.761 40.749 39.000 -0.021 0.000 1.227 296 F HN -0.409 nan 8.300 nan 0.000 0.478 297 Q N 2.001 121.880 119.800 0.133 0.000 2.313 297 Q HA 0.379 4.512 4.340 -0.346 0.000 0.260 297 Q C -1.952 173.956 176.000 -0.153 0.000 0.972 297 Q CA -0.570 55.242 55.803 0.015 0.000 0.886 297 Q CB 2.082 30.821 28.738 0.002 0.000 1.373 297 Q HN 0.507 nan 8.270 nan 0.000 0.416 298 I N 2.988 123.391 120.570 -0.277 0.000 2.396 298 I HA 0.330 4.293 4.170 -0.346 0.000 0.292 298 I C 0.066 176.056 176.117 -0.211 0.000 0.999 298 I CA 0.090 61.126 61.300 -0.440 0.000 1.310 298 I CB 1.366 38.920 38.000 -0.744 0.000 1.404 298 I HN 0.702 nan 8.210 nan 0.000 0.496 299 E N 2.740 122.840 120.200 -0.166 0.000 2.256 299 E HA 0.499 4.641 4.350 -0.346 0.000 0.267 299 E C 0.274 176.863 176.600 -0.018 0.000 0.892 299 E CA -0.743 55.618 56.400 -0.065 0.000 0.775 299 E CB 1.828 31.502 29.700 -0.044 0.000 1.207 299 E HN 0.810 nan 8.360 nan 0.000 0.420 300 G N 2.130 110.941 108.800 0.018 0.000 2.305 300 G HA2 -0.335 3.418 3.960 -0.346 0.000 0.287 300 G HA3 -0.335 3.418 3.960 -0.346 0.000 0.287 300 G C -0.482 174.489 174.900 0.119 0.000 1.036 300 G CA 0.463 45.591 45.100 0.048 0.000 0.887 300 G HN 0.609 nan 8.290 nan 0.000 0.505 301 Y N 0.751 121.021 120.300 -0.050 0.000 2.477 301 Y HA 0.412 4.755 4.550 -0.344 0.000 0.349 301 Y C 0.608 176.495 175.900 -0.021 0.000 0.977 301 Y CA -0.849 57.230 58.100 -0.036 0.000 1.214 301 Y CB 0.533 38.948 38.460 -0.076 0.000 1.124 301 Y HN 0.219 nan 8.280 nan 0.000 0.521 302 N N 9.326 127.961 118.700 -0.108 0.000 2.904 302 N HA 0.280 4.813 4.740 -0.346 0.000 0.257 302 N C -3.027 172.297 175.510 -0.309 0.000 1.363 302 N CA -1.773 51.142 53.050 -0.226 0.000 0.856 302 N CB 0.985 39.406 38.487 -0.110 0.000 1.166 302 N HN 0.389 nan 8.380 nan 0.000 0.499 303 P HA 0.240 nan 4.420 nan 0.000 0.280 303 P C -0.495 176.663 177.300 -0.237 0.000 1.272 303 P CA -0.270 62.626 63.100 -0.340 0.000 0.819 303 P CB 1.536 32.949 31.700 -0.478 0.000 1.122 304 H N -0.387 118.648 119.070 -0.058 0.000 2.581 304 H HA 0.223 4.571 4.556 -0.346 0.000 0.369 304 H C -1.722 173.588 175.328 -0.030 0.000 1.351 304 H CA -0.826 55.204 56.048 -0.029 0.000 1.434 304 H CB -0.535 29.230 29.762 0.005 0.000 1.558 304 H HN 0.288 nan 8.280 nan 0.000 0.608 305 P HA -0.033 nan 4.420 nan 0.000 0.270 305 P C -0.167 177.171 177.300 0.063 0.000 1.227 305 P CA 0.214 63.350 63.100 0.059 0.000 0.788 305 P CB 0.325 32.056 31.700 0.052 0.000 0.926 306 T N 1.256 115.833 114.554 0.038 0.000 2.802 306 T HA 0.327 4.470 4.350 -0.346 0.000 0.305 306 T C 0.413 175.131 174.700 0.030 0.000 1.053 306 T CA 0.265 62.389 62.100 0.040 0.000 1.058 306 T CB -0.087 68.792 68.868 0.018 0.000 0.988 306 T HN 0.198 nan 8.240 nan 0.000 0.539 307 I N 1.578 122.164 120.570 0.027 0.000 2.534 307 I HA 0.264 4.227 4.170 -0.346 0.000 0.286 307 I C -0.381 175.727 176.117 -0.015 0.000 1.094 307 I CA -1.165 60.139 61.300 0.008 0.000 1.055 307 I CB 1.746 39.755 38.000 0.015 0.000 1.225 307 I HN 0.294 nan 8.210 nan 0.000 0.435 308 K N 7.260 127.645 120.400 -0.026 0.000 2.218 308 K HA 0.683 4.795 4.320 -0.346 0.000 0.276 308 K C -0.719 175.841 176.600 -0.066 0.000 1.022 308 K CA -0.240 56.022 56.287 -0.041 0.000 0.946 308 K CB 1.509 33.990 32.500 -0.031 0.000 1.000 308 K HN 0.600 nan 8.250 nan 0.000 0.468 309 M N 1.271 120.816 119.600 -0.092 0.000 2.322 309 M HA 0.170 4.442 4.480 -0.346 0.000 0.286 309 M C -0.551 175.764 176.300 0.026 0.000 1.111 309 M CA -0.451 54.755 55.300 -0.156 0.000 0.941 309 M CB 2.911 35.153 32.600 -0.597 0.000 1.671 309 M HN 0.481 nan 8.290 nan 0.000 0.470 310 E N 3.684 123.986 120.200 0.170 0.000 2.257 310 E HA 0.260 4.403 4.350 -0.346 0.000 0.278 310 E C -0.807 175.876 176.600 0.138 0.000 1.049 310 E CA -0.254 56.216 56.400 0.116 0.000 0.876 310 E CB 1.078 30.810 29.700 0.054 0.000 1.035 310 E HN 0.624 nan 8.360 nan 0.000 0.419 311 M N 3.933 123.538 119.600 0.009 0.000 2.219 311 M HA 0.201 4.474 4.480 -0.346 0.000 0.353 311 M C -0.593 175.588 176.300 -0.199 0.000 1.304 311 M CA -0.183 55.073 55.300 -0.073 0.000 1.115 311 M CB 0.571 33.100 32.600 -0.118 0.000 1.664 311 M HN 0.566 nan 8.290 nan 0.000 0.459 312 A N 5.798 128.395 122.820 -0.372 0.000 2.409 312 A HA 0.505 4.618 4.320 -0.346 0.000 0.267 312 A C -0.238 177.189 177.584 -0.260 0.000 1.127 312 A CA -0.612 51.152 52.037 -0.456 0.000 0.795 312 A CB 0.171 18.576 19.000 -0.992 0.000 1.061 312 A HN 0.758 nan 8.150 nan 0.000 0.502 313 V N 0.000 119.805 119.914 -0.182 0.000 2.409 313 V HA 0.000 3.913 4.120 -0.346 0.000 0.244 313 V CA 0.000 62.207 62.300 -0.155 0.000 1.235 313 V CB 0.000 31.738 31.823 -0.141 0.000 1.184 313 V HN 0.000 nan 8.190 nan 0.000 0.556