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 1e08_1_A DATA FIRST_RESID 27 DATA SEQUENCE FVQIDEAKCI GCDTCSQYCP TAAIFGEMGE PHSIPHIEAC INCGQCLTHC DATA SEQUENCE PENAIYEAQS WVPEVEKKLK DGKVKCIAMP APAVRYALGD AFGMPVGSVT DATA SEQUENCE TGKMLAALQK LGFAHCWDTE FTADVTIWEE GSEFVERLTK KSDMPLPQFT DATA SEQUENCE SCCPGWQKYA ETYYPELLPH FSTCKSPIGM NGALAKTYGA ERMKYDPKQV DATA SEQUENCE YTVSIMPCIA KKYEGLRPEL KSSGMRDIDA TLTTRELAYM IKKAGIDFAK DATA SEQUENCE LPDGKRDSLM GESTGGATIF GVTGGVMEAA LRFAYEAVTG KKPDSWDFKA DATA SEQUENCE VRGLDGIKEA TVNVGGTDVK VAVVHGAKRF KQVCDDVKAG KSPYHFIEYM DATA SEQUENCE ACPGGCVCGG GQPVMPGVLE A 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 27 F HA 0.000 nan 4.527 nan 0.000 0.279 27 F C 0.000 175.789 175.800 -0.019 0.000 0.967 27 F CA 0.000 57.988 58.000 -0.020 0.000 1.383 27 F CB 0.000 38.958 39.000 -0.070 0.000 1.145 28 V N 2.934 122.928 119.914 0.133 0.000 2.509 28 V HA 0.356 4.607 4.120 0.217 0.000 0.289 28 V C -0.316 175.734 176.094 -0.073 0.000 1.026 28 V CA -0.725 61.589 62.300 0.024 0.000 0.872 28 V CB 0.348 32.203 31.823 0.054 0.000 1.017 28 V HN -0.199 nan 8.190 nan 0.000 0.436 29 Q N 6.138 125.827 119.800 -0.184 0.000 2.681 29 Q HA -0.085 4.385 4.340 0.217 0.000 0.286 29 Q C -0.939 174.881 176.000 -0.300 0.000 1.231 29 Q CA 0.703 56.326 55.803 -0.301 0.000 1.043 29 Q CB 0.699 29.034 28.738 -0.673 0.000 1.336 29 Q HN 0.162 nan 8.270 nan 0.000 0.516 30 I N -1.705 118.720 120.570 -0.242 0.000 2.509 30 I HA 0.080 nan 4.170 nan 0.000 0.293 30 I C -1.286 174.842 176.117 0.018 0.000 1.020 30 I CA -1.497 59.750 61.300 -0.088 0.000 1.088 30 I CB 2.535 40.535 38.000 0.000 0.000 1.267 30 I HN -0.020 8.105 8.210 -0.141 0.000 0.430 31 D N 6.756 127.280 120.400 0.207 0.000 2.383 31 D HA -0.060 nan 4.640 nan 0.000 0.245 31 D C 0.087 176.474 176.300 0.144 0.000 1.263 31 D CA -0.340 53.837 54.000 0.295 0.000 0.936 31 D CB 0.568 41.540 40.800 0.287 0.000 1.053 31 D HN 0.883 9.244 8.370 0.164 0.108 0.507 32 E N 7.341 127.615 120.200 0.122 0.000 2.860 32 E HA -0.173 nan 4.350 nan 0.000 0.318 32 E C -1.106 175.536 176.600 0.070 0.000 1.481 32 E CA 0.544 56.995 56.400 0.085 0.000 1.613 32 E CB -1.886 27.860 29.700 0.077 0.000 1.279 32 E HN 0.160 8.609 8.360 0.147 0.000 0.489 33 A N 0.275 123.136 122.820 0.069 0.000 2.377 33 A HA 0.128 nan 4.320 nan 0.000 0.174 33 A C -0.250 177.363 177.584 0.048 0.000 1.663 33 A CA 0.643 52.711 52.037 0.052 0.000 1.219 33 A CB 2.031 21.059 19.000 0.047 0.000 1.499 33 A HN 0.719 8.815 8.150 0.077 0.100 0.481 34 K N 0.395 120.828 120.400 0.056 0.000 2.847 34 K HA 0.231 nan 4.320 nan 0.000 0.213 34 K C -1.896 174.726 176.600 0.036 0.000 1.174 34 K CA -0.835 55.479 56.287 0.045 0.000 1.095 34 K CB -0.719 31.812 32.500 0.051 0.000 1.581 34 K HN 0.220 8.398 8.250 0.067 0.112 0.514 35 C N 0.156 119.479 119.300 0.039 0.000 2.534 35 C HA 0.251 nan 4.460 nan 0.000 0.309 35 C C 0.278 175.293 174.990 0.042 0.000 1.072 35 C CA -1.092 57.944 59.018 0.031 0.000 1.441 35 C CB -0.640 27.139 27.740 0.065 0.000 1.906 35 C HN 0.002 8.259 8.230 0.045 0.000 0.429 36 I N 5.017 125.600 120.570 0.021 0.000 3.832 36 I HA 0.231 nan 4.170 nan 0.000 0.324 36 I C 0.130 176.264 176.117 0.027 0.000 1.447 36 I CA -1.092 60.222 61.300 0.023 0.000 1.242 36 I CB -0.950 37.057 38.000 0.013 0.000 1.212 36 I HN 0.389 8.600 8.210 0.002 0.000 0.415 37 G N 1.649 110.481 108.800 0.053 0.000 2.536 37 G HA2 -0.414 nan 3.960 nan 0.000 0.277 37 G HA3 -0.414 nan 3.960 nan 0.000 0.277 37 G C 0.205 175.119 174.900 0.024 0.000 1.155 37 G CA 0.724 45.869 45.100 0.075 0.000 0.960 37 G HN -0.775 7.427 8.290 0.071 0.130 0.544 38 C N 2.488 121.792 119.300 0.007 0.000 5.886 38 C HA -0.390 nan 4.460 nan 0.000 0.327 38 C C -0.600 174.358 174.990 -0.054 0.000 2.428 38 C CA 0.414 59.413 59.018 -0.031 0.000 2.192 38 C CB -0.754 26.957 27.740 -0.047 0.000 3.232 38 C HN 0.405 8.648 8.230 0.021 0.000 0.264 39 D N 0.861 121.195 120.400 -0.110 0.000 3.841 39 D HA -0.255 nan 4.640 nan 0.000 0.276 39 D C 0.231 176.440 176.300 -0.150 0.000 2.088 39 D CA 1.894 55.822 54.000 -0.121 0.000 1.152 39 D CB -0.182 40.633 40.800 0.025 0.000 0.944 39 D HN -0.299 7.919 8.370 -0.190 0.038 1.144 40 T N -2.966 111.496 114.554 -0.153 0.000 5.658 40 T HA -0.275 nan 4.350 nan 0.000 0.271 40 T C -0.512 174.026 174.700 -0.271 0.000 2.170 40 T CA 1.637 63.591 62.100 -0.244 0.000 3.657 40 T CB -1.457 67.258 68.868 -0.254 0.000 0.929 40 T HN 0.406 8.571 8.240 -0.125 0.000 1.134 41 C N -4.228 115.038 119.300 -0.057 0.000 3.270 41 C HA 0.284 nan 4.460 nan 0.000 0.369 41 C C 0.865 175.935 174.990 0.133 0.000 1.326 41 C CA -0.411 58.773 59.018 0.277 0.000 1.846 41 C CB 2.139 30.028 27.740 0.249 0.000 2.534 41 C HN -0.442 7.654 8.230 -0.108 0.069 0.649 42 S N 1.260 116.952 115.700 -0.014 0.000 3.324 42 S HA 0.005 nan 4.470 nan 0.000 0.229 42 S C -0.202 174.309 174.600 -0.148 0.000 1.417 42 S CA 0.467 58.664 58.200 -0.006 0.000 1.211 42 S CB -1.519 61.778 63.200 0.162 0.000 1.157 42 S HN 0.050 8.315 8.310 -0.075 0.000 0.491 43 Q N -1.117 118.479 119.800 -0.340 0.000 2.126 43 Q HA 0.202 nan 4.340 nan 0.000 0.233 43 Q C -0.335 175.245 176.000 -0.701 0.000 0.788 43 Q CA 0.388 55.806 55.803 -0.643 0.000 0.968 43 Q CB 2.372 30.484 28.738 -1.042 0.000 1.163 43 Q HN 0.103 8.116 8.270 -0.246 0.110 0.471 44 Y N -2.553 117.727 120.300 -0.034 0.000 2.696 44 Y HA 0.109 nan 4.550 nan 0.000 0.255 44 Y C -1.882 173.997 175.900 -0.035 0.000 1.103 44 Y CA -1.391 56.676 58.100 -0.055 0.000 1.126 44 Y CB -0.245 38.204 38.460 -0.017 0.000 1.197 44 Y HN -0.605 7.619 8.280 -0.094 0.000 0.574 45 C N 1.217 120.545 119.300 0.047 0.000 2.298 45 C HA 0.362 nan 4.460 nan 0.000 0.323 45 C C -0.223 174.786 174.990 0.031 0.000 1.284 45 C CA -3.042 56.012 59.018 0.061 0.000 1.577 45 C CB 0.866 28.638 27.740 0.054 0.000 2.249 45 C HN -0.209 8.003 8.230 -0.030 0.000 0.497 46 P HA -0.102 nan 4.420 nan 0.000 0.221 46 P C 0.581 177.920 177.300 0.065 0.000 1.150 46 P CA 2.021 65.173 63.100 0.087 0.000 0.800 46 P CB 0.211 32.056 31.700 0.241 0.000 0.787 47 T N -5.273 109.318 114.554 0.063 0.000 3.088 47 T HA -0.006 nan 4.350 nan 0.000 0.259 47 T C 0.174 174.847 174.700 -0.044 0.000 1.122 47 T CA -0.489 61.612 62.100 0.003 0.000 1.095 47 T CB -0.775 68.087 68.868 -0.011 0.000 0.930 47 T HN 0.129 8.420 8.240 0.098 0.008 0.508 48 A N 1.580 124.364 122.820 -0.060 0.000 2.475 48 A HA -0.316 nan 4.320 nan 0.000 0.295 48 A C -0.645 176.837 177.584 -0.170 0.000 1.457 48 A CA 0.317 52.270 52.037 -0.140 0.000 0.734 48 A CB -1.741 17.127 19.000 -0.220 0.000 1.118 48 A HN -0.289 7.623 8.150 -0.021 0.225 0.400 49 A N -2.640 120.169 122.820 -0.019 0.000 2.178 49 A HA -0.074 nan 4.320 nan 0.000 0.211 49 A C -0.924 176.751 177.584 0.152 0.000 1.157 49 A CA 0.662 52.760 52.037 0.101 0.000 0.780 49 A CB 0.540 19.626 19.000 0.144 0.000 0.828 49 A HN 0.500 8.656 8.150 0.011 0.000 0.476 50 I N -3.109 117.512 120.570 0.085 0.000 2.428 50 I HA 0.178 nan 4.170 nan 0.000 0.289 50 I C -0.665 175.516 176.117 0.107 0.000 1.019 50 I CA -0.022 61.366 61.300 0.146 0.000 1.351 50 I CB 1.117 39.207 38.000 0.150 0.000 1.412 50 I HN -0.815 7.313 8.210 0.004 0.084 0.513 51 F N 5.486 125.411 119.950 -0.042 0.000 2.661 51 F HA 0.470 nan 4.527 nan 0.000 0.347 51 F C -0.885 174.849 175.800 -0.110 0.000 1.086 51 F CA -1.435 56.506 58.000 -0.098 0.000 1.016 51 F CB 4.193 43.111 39.000 -0.137 0.000 1.368 51 F HN 0.843 9.326 8.300 0.306 0.000 0.505 52 G N -1.637 107.190 108.800 0.044 0.000 2.351 52 G HA2 0.005 nan 3.960 nan 0.000 0.279 52 G HA3 0.005 nan 3.960 nan 0.000 0.279 52 G C -2.340 172.456 174.900 -0.173 0.000 1.297 52 G CA 0.048 45.087 45.100 -0.103 0.000 0.886 52 G HN -0.080 8.256 8.290 0.077 0.000 0.493 53 E N 1.330 121.407 120.200 -0.205 0.000 2.216 53 E HA 0.194 nan 4.350 nan 0.000 0.279 53 E C -0.124 176.301 176.600 -0.291 0.000 0.997 53 E CA -1.374 54.927 56.400 -0.165 0.000 0.817 53 E CB 1.722 31.379 29.700 -0.072 0.000 1.096 53 E HN 0.381 8.615 8.360 -0.209 0.000 0.393 54 M N 5.650 125.124 119.600 -0.209 0.000 3.026 54 M HA -0.334 nan 4.480 nan 0.000 0.349 54 M C 0.079 176.354 176.300 -0.043 0.000 1.803 54 M CA 0.002 55.213 55.300 -0.148 0.000 1.404 54 M CB -1.209 31.267 32.600 -0.207 0.000 1.993 54 M HN 0.448 8.652 8.290 -0.143 0.000 0.469 55 G N 4.785 113.635 108.800 0.084 0.000 2.149 55 G HA2 -0.417 nan 3.960 nan 0.000 0.235 55 G HA3 -0.417 nan 3.960 nan 0.000 0.235 55 G C -1.359 173.618 174.900 0.128 0.000 1.018 55 G CA -0.171 45.027 45.100 0.164 0.000 0.728 55 G HN 0.345 8.708 8.290 0.121 0.000 0.508 56 E N -1.131 119.146 120.200 0.129 0.000 2.524 56 E HA 0.514 nan 4.350 nan 0.000 0.219 56 E C -2.353 174.374 176.600 0.213 0.000 0.776 56 E CA -2.199 54.263 56.400 0.103 0.000 0.944 56 E CB 0.678 30.396 29.700 0.030 0.000 1.719 56 E HN -0.135 8.167 8.360 0.088 0.111 0.384 57 P HA -0.012 nan 4.420 nan 0.000 0.268 57 P C -1.464 175.964 177.300 0.213 0.000 1.208 57 P CA 0.711 63.917 63.100 0.178 0.000 0.777 57 P CB 0.503 32.258 31.700 0.091 0.000 0.875 58 H N -0.344 118.745 119.070 0.031 0.000 2.980 58 H HA 0.697 nan 4.556 nan 0.000 0.367 58 H C -1.036 174.318 175.328 0.044 0.000 1.206 58 H CA -0.642 55.431 56.048 0.042 0.000 1.126 58 H CB 4.140 33.924 29.762 0.036 0.000 1.838 58 H HN 0.121 8.543 8.280 0.237 0.000 0.552 59 S N -0.341 115.475 115.700 0.193 0.000 2.550 59 S HA 0.428 nan 4.470 nan 0.000 0.270 59 S C -1.812 172.868 174.600 0.134 0.000 1.145 59 S CA -0.748 57.525 58.200 0.122 0.000 0.852 59 S CB 3.123 66.367 63.200 0.073 0.000 1.119 59 S HN 1.135 9.471 8.310 0.214 0.103 0.465 60 I N -1.455 119.180 120.570 0.108 0.000 2.347 60 I HA 0.590 nan 4.170 nan 0.000 0.283 60 I C -1.976 174.219 176.117 0.130 0.000 1.058 60 I CA -3.531 57.849 61.300 0.133 0.000 1.202 60 I CB -0.334 37.732 38.000 0.111 0.000 1.386 60 I HN -0.219 8.223 8.210 0.080 -0.184 0.475 61 P HA 0.112 nan 4.420 nan 0.000 0.275 61 P C -1.018 176.476 177.300 0.323 0.000 1.310 61 P CA 0.230 63.390 63.100 0.101 0.000 0.904 61 P CB 0.755 32.402 31.700 -0.088 0.000 1.381 62 H N 0.655 119.807 119.070 0.135 0.000 2.317 62 H HA 0.164 nan 4.556 nan 0.000 0.231 62 H C -0.368 175.056 175.328 0.160 0.000 1.442 62 H CA -1.407 54.726 56.048 0.141 0.000 1.336 62 H CB -0.565 29.322 29.762 0.207 0.000 1.533 62 H HN -0.185 8.191 8.280 0.300 0.085 0.522 63 I N 3.142 123.856 120.570 0.241 0.000 2.436 63 I HA -0.079 4.222 4.170 0.217 0.000 0.289 63 I C -0.063 176.196 176.117 0.237 0.000 1.083 63 I CA 1.099 62.547 61.300 0.246 0.000 1.372 63 I CB 0.035 38.124 38.000 0.149 0.000 1.408 63 I HN 0.057 nan 8.210 nan 0.000 0.516 64 E N 5.489 125.917 120.200 0.380 0.000 1.883 64 E HA -0.201 nan 4.350 nan 0.000 0.263 64 E C 2.221 178.870 176.600 0.082 0.000 1.061 64 E CA 0.268 56.856 56.400 0.313 0.000 1.846 64 E CB -0.290 29.506 29.700 0.160 0.000 3.533 64 E HN 0.185 8.702 8.360 0.262 0.000 1.003 65 A N 2.939 125.886 122.820 0.212 0.000 2.131 65 A HA -0.222 4.229 4.320 0.217 0.000 0.224 65 A C -0.274 177.415 177.584 0.174 0.000 1.172 65 A CA 1.409 53.594 52.037 0.246 0.000 0.672 65 A CB -0.611 18.521 19.000 0.220 0.000 0.815 65 A HN 0.262 nan 8.150 nan 0.000 0.477 66 C N -2.526 116.866 119.300 0.153 0.000 2.442 66 C HA 0.119 nan 4.460 nan 0.000 0.362 66 C C 0.313 175.306 174.990 0.005 0.000 1.242 66 C CA -2.313 56.766 59.018 0.102 0.000 1.741 66 C CB -1.354 26.448 27.740 0.104 0.000 2.378 66 C HN 0.103 8.325 8.230 0.167 0.108 0.549 67 I N 2.828 123.449 120.570 0.085 0.000 3.752 67 I HA 0.088 nan 4.170 nan 0.000 0.313 67 I C -0.881 175.256 176.117 0.033 0.000 1.304 67 I CA -0.617 60.731 61.300 0.081 0.000 1.171 67 I CB -0.799 37.366 38.000 0.274 0.000 1.038 67 I HN -0.002 8.311 8.210 0.172 0.000 0.427 68 N N -3.026 115.652 118.700 -0.036 0.000 2.776 68 N HA -0.310 nan 4.740 nan 0.000 0.250 68 N C 1.182 176.711 175.510 0.031 0.000 1.112 68 N CA 0.889 53.912 53.050 -0.044 0.000 0.733 68 N CB -2.041 36.374 38.487 -0.119 0.000 1.097 68 N HN -0.224 7.940 8.380 -0.081 0.168 0.558 69 C N -4.149 115.185 119.300 0.057 0.000 2.411 69 C HA -0.084 nan 4.460 nan 0.000 0.279 69 C C 0.540 175.536 174.990 0.010 0.000 1.288 69 C CA 0.908 59.965 59.018 0.064 0.000 1.764 69 C CB -0.523 27.268 27.740 0.086 0.000 1.974 69 C HN 0.172 8.364 8.230 0.075 0.083 0.498 70 G N -0.218 108.574 108.800 -0.014 0.000 2.500 70 G HA2 -0.263 nan 3.960 nan 0.000 0.209 70 G HA3 -0.263 nan 3.960 nan 0.000 0.209 70 G C 0.416 175.240 174.900 -0.127 0.000 1.283 70 G CA -0.373 44.688 45.100 -0.064 0.000 0.960 70 G HN -0.910 7.362 8.290 -0.002 0.017 0.528 71 Q N -2.358 117.310 119.800 -0.220 0.000 2.027 71 Q HA -0.479 nan 4.340 nan 0.000 0.150 71 Q C 1.382 177.021 176.000 -0.601 0.000 1.616 71 Q CA 2.867 58.414 55.803 -0.427 0.000 1.315 71 Q CB -1.100 27.393 28.738 -0.408 0.000 1.352 71 Q HN 0.130 8.279 8.270 -0.201 0.000 0.823 72 C N -4.172 114.963 119.300 -0.275 0.000 2.419 72 C HA -0.149 nan 4.460 nan 0.000 0.283 72 C C 2.566 177.396 174.990 -0.266 0.000 1.373 72 C CA 1.690 60.601 59.018 -0.177 0.000 1.781 72 C CB -0.830 26.920 27.740 0.017 0.000 1.886 72 C HN -0.265 7.734 8.230 -0.181 0.122 0.520 73 L N 0.910 122.004 121.223 -0.214 0.000 2.013 73 L HA -0.383 nan 4.340 nan 0.000 0.212 73 L C 2.125 178.920 176.870 -0.125 0.000 1.073 73 L CA 2.781 57.547 54.840 -0.123 0.000 0.753 73 L CB -0.453 41.552 42.059 -0.090 0.000 0.890 73 L HN -0.211 7.847 8.230 -0.217 0.042 0.432 74 T N -4.762 109.659 114.554 -0.222 0.000 3.072 74 T HA -0.164 nan 4.350 nan 0.000 0.266 74 T C 0.594 175.274 174.700 -0.033 0.000 1.127 74 T CA 2.690 64.701 62.100 -0.148 0.000 1.107 74 T CB -0.820 67.927 68.868 -0.202 0.000 0.910 74 T HN 0.152 8.207 8.240 -0.309 0.000 0.513 75 H N -2.015 117.042 119.070 -0.022 0.000 2.582 75 H HA 0.120 nan 4.556 nan 0.000 0.269 75 H C -0.518 174.795 175.328 -0.025 0.000 0.962 75 H CA -0.005 56.030 56.048 -0.021 0.000 1.230 75 H CB 1.398 31.153 29.762 -0.012 0.000 1.445 75 H HN -0.400 7.556 8.280 -0.231 0.185 0.528 76 C N 1.630 120.972 119.300 0.070 0.000 3.075 76 C HA 0.543 nan 4.460 nan 0.000 0.262 76 C C -1.745 173.257 174.990 0.019 0.000 1.371 76 C CA -3.302 55.737 59.018 0.035 0.000 1.594 76 C CB -0.715 27.038 27.740 0.023 0.000 1.849 76 C HN -0.363 7.735 8.230 0.022 0.146 0.475 77 P HA 0.273 nan 4.420 nan 0.000 0.267 77 P C -1.357 175.937 177.300 -0.011 0.000 1.289 77 P CA 1.390 64.491 63.100 0.001 0.000 0.866 77 P CB 0.148 31.853 31.700 0.008 0.000 1.309 78 E N -0.900 119.295 120.200 -0.008 0.000 2.411 78 E HA 0.035 nan 4.350 nan 0.000 0.204 78 E C -0.870 175.723 176.600 -0.012 0.000 1.059 78 E CA -0.692 55.693 56.400 -0.024 0.000 1.112 78 E CB -1.651 28.039 29.700 -0.016 0.000 1.168 78 E HN -0.262 8.006 8.360 0.004 0.094 0.445 79 N N -2.812 115.893 118.700 0.008 0.000 2.756 79 N HA -0.391 nan 4.740 nan 0.000 0.248 79 N C -1.383 174.186 175.510 0.099 0.000 1.062 79 N CA 0.723 53.805 53.050 0.053 0.000 0.696 79 N CB -0.343 38.161 38.487 0.029 0.000 0.946 79 N HN -0.472 7.785 8.380 0.001 0.124 0.548 80 A N -3.672 119.194 122.820 0.077 0.000 2.035 80 A HA 0.175 nan 4.320 nan 0.000 0.208 80 A C -0.672 176.970 177.584 0.096 0.000 1.206 80 A CA 0.378 52.468 52.037 0.088 0.000 0.773 80 A CB 1.757 20.785 19.000 0.048 0.000 0.878 80 A HN 0.405 8.583 8.150 0.048 0.000 0.469 81 I N 0.385 120.983 120.570 0.047 0.000 2.312 81 I HA 0.050 nan 4.170 nan 0.000 0.291 81 I C -1.189 174.952 176.117 0.040 0.000 1.031 81 I CA -0.345 60.948 61.300 -0.013 0.000 1.293 81 I CB 0.196 38.166 38.000 -0.049 0.000 1.403 81 I HN -0.856 7.378 8.210 0.039 0.000 0.484 82 Y N 4.243 124.554 120.300 0.019 0.000 2.299 82 Y HA 0.196 nan 4.550 nan 0.000 0.326 82 Y C -0.034 175.888 175.900 0.035 0.000 1.164 82 Y CA -2.977 55.136 58.100 0.020 0.000 1.234 82 Y CB 0.872 39.345 38.460 0.021 0.000 1.219 82 Y HN 0.095 8.199 8.280 -0.293 0.000 0.497 83 E N 4.500 124.832 120.200 0.220 0.000 2.346 83 E HA -0.150 nan 4.350 nan 0.000 0.317 83 E C -0.345 176.384 176.600 0.215 0.000 1.404 83 E CA -1.009 55.479 56.400 0.145 0.000 1.534 83 E CB -2.377 27.387 29.700 0.106 0.000 1.309 83 E HN 0.616 9.525 8.360 0.216 -0.419 0.499 84 A N 3.793 126.755 122.820 0.238 0.000 5.149 84 A HA -0.450 nan 4.320 nan 0.000 0.344 84 A C -0.590 177.203 177.584 0.349 0.000 1.715 84 A CA 2.309 54.522 52.037 0.294 0.000 0.700 84 A CB -1.198 17.957 19.000 0.258 0.000 1.461 84 A HN 0.558 8.698 8.150 0.158 0.105 0.399 85 Q N 0.962 120.936 119.800 0.290 0.000 2.413 85 Q HA 0.370 nan 4.340 nan 0.000 0.276 85 Q C -1.591 174.673 176.000 0.440 0.000 1.099 85 Q CA -1.513 54.440 55.803 0.250 0.000 0.814 85 Q CB 3.581 32.366 28.738 0.079 0.000 1.379 85 Q HN 0.238 8.724 8.270 0.359 0.000 0.436 86 S N 1.384 117.328 115.700 0.406 0.000 2.513 86 S HA 0.498 nan 4.470 nan 0.000 0.299 86 S C 0.226 175.146 174.600 0.534 0.000 1.087 86 S CA -0.398 58.084 58.200 0.470 0.000 1.012 86 S CB 1.919 65.257 63.200 0.229 0.000 1.044 86 S HN 0.422 8.916 8.310 0.306 0.000 0.485 87 W N 4.735 126.088 121.300 0.088 0.000 3.314 87 W HA 0.066 nan 4.660 nan 0.000 0.413 87 W C 0.286 176.888 176.519 0.139 0.000 1.007 87 W CA -0.252 57.160 57.345 0.113 0.000 1.881 87 W CB -1.254 28.284 29.460 0.129 0.000 0.928 87 W HN 1.059 9.575 8.180 0.560 0.000 0.818 88 V N 1.817 121.931 119.914 0.333 0.000 2.250 88 V HA -0.461 nan 4.120 nan 0.000 0.250 88 V C -0.480 175.751 176.094 0.228 0.000 1.060 88 V CA 6.600 69.055 62.300 0.259 0.000 1.030 88 V CB -2.915 29.047 31.823 0.232 0.000 0.643 88 V HN 0.158 8.426 8.190 0.323 0.116 0.445 89 P HA -0.147 nan 4.420 nan 0.000 0.221 89 P C 1.619 179.006 177.300 0.145 0.000 1.150 89 P CA 2.945 66.128 63.100 0.138 0.000 0.800 89 P CB -0.376 31.383 31.700 0.097 0.000 0.787 90 E N -0.745 119.584 120.200 0.216 0.000 2.170 90 E HA -0.140 nan 4.350 nan 0.000 0.191 90 E C 2.211 178.976 176.600 0.276 0.000 0.981 90 E CA 2.752 59.289 56.400 0.229 0.000 0.830 90 E CB 0.216 30.110 29.700 0.324 0.000 0.775 90 E HN -0.183 8.177 8.360 0.274 0.164 0.470 91 V N 0.654 120.815 119.914 0.411 0.000 2.343 91 V HA -0.465 nan 4.120 nan 0.000 0.247 91 V C 2.174 178.423 176.094 0.259 0.000 1.051 91 V CA 4.421 67.007 62.300 0.477 0.000 1.036 91 V CB -0.673 31.399 31.823 0.415 0.000 0.654 91 V HN 0.486 8.822 8.190 0.417 0.105 0.451 92 E N -1.926 118.379 120.200 0.176 0.000 2.077 92 E HA -0.410 nan 4.350 nan 0.000 0.193 92 E C 2.141 178.760 176.600 0.032 0.000 0.989 92 E CA 2.984 59.435 56.400 0.085 0.000 0.800 92 E CB -0.340 29.404 29.700 0.074 0.000 0.746 92 E HN -0.048 8.433 8.360 0.201 0.000 0.452 93 K N -0.262 120.154 120.400 0.027 0.000 2.063 93 K HA -0.322 nan 4.320 nan 0.000 0.208 93 K C 2.110 178.662 176.600 -0.080 0.000 1.048 93 K CA 3.140 59.413 56.287 -0.024 0.000 0.928 93 K CB 0.016 32.504 32.500 -0.021 0.000 0.713 93 K HN 0.070 8.181 8.250 0.065 0.178 0.442 94 K N -3.208 117.107 120.400 -0.142 0.000 2.458 94 K HA -0.033 nan 4.320 nan 0.000 0.194 94 K C 1.087 177.629 176.600 -0.096 0.000 1.024 94 K CA -0.178 55.964 56.287 -0.242 0.000 1.108 94 K CB -0.630 31.439 32.500 -0.719 0.000 0.846 94 K HN -0.104 8.075 8.250 -0.118 0.000 0.518 95 L N -1.352 119.849 121.223 -0.035 0.000 2.127 95 L HA -0.236 nan 4.340 nan 0.000 0.203 95 L C 2.198 179.029 176.870 -0.065 0.000 1.080 95 L CA 2.314 57.124 54.840 -0.049 0.000 0.768 95 L CB 0.198 42.212 42.059 -0.075 0.000 0.924 95 L HN -0.468 7.545 8.230 -0.022 0.204 0.444 96 K N -1.266 119.100 120.400 -0.057 0.000 2.031 96 K HA -0.211 nan 4.320 nan 0.000 0.205 96 K C 1.772 178.340 176.600 -0.054 0.000 1.049 96 K CA 2.726 58.982 56.287 -0.052 0.000 0.939 96 K CB 0.363 32.838 32.500 -0.041 0.000 0.717 96 K HN -0.522 7.699 8.250 -0.048 0.000 0.438 97 D N -0.264 120.097 120.400 -0.064 0.000 2.943 97 D HA 0.133 nan 4.640 nan 0.000 0.249 97 D C -0.317 175.931 176.300 -0.086 0.000 1.231 97 D CA -1.539 52.421 54.000 -0.068 0.000 0.979 97 D CB -0.700 40.058 40.800 -0.069 0.000 1.053 97 D HN 0.322 8.531 8.370 -0.071 0.119 0.504 98 G N 0.977 109.734 108.800 -0.072 0.000 3.284 98 G HA2 -0.070 nan 3.960 nan 0.000 0.251 98 G HA3 -0.070 nan 3.960 nan 0.000 0.251 98 G C -0.059 174.798 174.900 -0.071 0.000 0.913 98 G CA 0.247 45.304 45.100 -0.072 0.000 1.947 98 G HN -0.294 7.884 8.290 -0.061 0.075 0.635 99 K N -0.137 120.218 120.400 -0.076 0.000 2.391 99 K HA 0.217 nan 4.320 nan 0.000 0.197 99 K C -0.456 176.101 176.600 -0.073 0.000 1.087 99 K CA -0.594 55.656 56.287 -0.062 0.000 1.012 99 K CB 1.606 34.079 32.500 -0.045 0.000 0.925 99 K HN 0.130 8.225 8.250 -0.088 0.102 0.547 100 V N 0.687 120.549 119.914 -0.087 0.000 2.409 100 V HA 0.156 nan 4.120 nan 0.000 0.291 100 V C -0.696 175.357 176.094 -0.069 0.000 1.020 100 V CA -1.534 60.726 62.300 -0.067 0.000 0.848 100 V CB 1.336 33.129 31.823 -0.050 0.000 0.990 100 V HN -0.721 7.337 8.190 -0.103 0.070 0.430 101 K N 5.873 126.216 120.400 -0.094 0.000 2.276 101 K HA 0.347 nan 4.320 nan 0.000 0.285 101 K C -0.336 176.296 176.600 0.052 0.000 1.062 101 K CA -2.723 53.495 56.287 -0.116 0.000 0.918 101 K CB 0.382 32.642 32.500 -0.399 0.000 1.055 101 K HN 1.100 9.156 8.250 -0.135 0.113 0.477 102 C N 3.232 122.615 119.300 0.138 0.000 2.459 102 C HA 0.312 nan 4.460 nan 0.000 0.358 102 C C -0.147 174.985 174.990 0.238 0.000 1.162 102 C CA -1.603 57.611 59.018 0.326 0.000 1.559 102 C CB -2.389 25.590 27.740 0.399 0.000 2.132 102 C HN 0.672 8.951 8.230 0.082 0.000 0.536 103 I N 5.845 126.446 120.570 0.051 0.000 2.405 103 I HA 0.205 nan 4.170 nan 0.000 0.280 103 I C -1.294 174.658 176.117 -0.276 0.000 1.027 103 I CA -1.726 59.491 61.300 -0.138 0.000 1.161 103 I CB -0.122 37.728 38.000 -0.250 0.000 1.300 103 I HN 0.835 8.968 8.210 0.059 0.113 0.463 104 A N 8.901 131.469 122.820 -0.421 0.000 2.320 104 A HA 0.512 nan 4.320 nan 0.000 0.287 104 A C -1.472 175.884 177.584 -0.381 0.000 1.181 104 A CA -1.090 50.569 52.037 -0.630 0.000 0.831 104 A CB 1.012 19.260 19.000 -1.254 0.000 1.102 104 A HN 0.594 8.495 8.150 -0.302 0.067 0.513 105 M N 4.347 123.765 119.600 -0.303 0.000 2.158 105 M HA 0.341 nan 4.480 nan 0.000 0.326 105 M C -2.807 173.390 176.300 -0.172 0.000 1.014 105 M CA -2.918 52.268 55.300 -0.190 0.000 0.961 105 M CB 0.397 32.917 32.600 -0.134 0.000 1.327 105 M HN 1.041 8.990 8.290 -0.341 0.136 0.393 106 P HA 0.340 nan 4.420 nan 0.000 0.280 106 P C -1.864 175.394 177.300 -0.070 0.000 1.244 106 P CA -0.766 62.268 63.100 -0.109 0.000 0.784 106 P CB 0.312 31.959 31.700 -0.089 0.000 0.913 107 A N 4.063 126.854 122.820 -0.048 0.000 2.451 107 A HA 0.177 nan 4.320 nan 0.000 0.266 107 A C -1.119 176.467 177.584 0.003 0.000 1.119 107 A CA -2.093 49.936 52.037 -0.013 0.000 0.786 107 A CB -0.823 18.183 19.000 0.011 0.000 1.061 107 A HN 0.351 8.470 8.150 -0.052 0.000 0.503 108 P HA -0.270 nan 4.420 nan 0.000 0.215 108 P C 0.557 177.880 177.300 0.038 0.000 1.157 108 P CA 3.029 66.109 63.100 -0.034 0.000 0.874 108 P CB 0.012 31.693 31.700 -0.032 0.000 0.790 109 A N -3.068 119.880 122.820 0.213 0.000 1.968 109 A HA -0.194 nan 4.320 nan 0.000 0.217 109 A C 1.718 179.483 177.584 0.302 0.000 1.169 109 A CA 2.517 54.821 52.037 0.445 0.000 0.638 109 A CB -0.975 18.202 19.000 0.296 0.000 0.812 109 A HN 0.416 8.683 8.150 0.196 0.000 0.446 110 V N -1.364 118.641 119.914 0.152 0.000 2.392 110 V HA -0.343 nan 4.120 nan 0.000 0.249 110 V C 1.839 177.970 176.094 0.062 0.000 1.059 110 V CA 3.143 65.492 62.300 0.081 0.000 1.051 110 V CB -1.032 30.820 31.823 0.047 0.000 0.658 110 V HN -0.294 7.971 8.190 0.141 0.010 0.455 111 R N -2.065 118.461 120.500 0.044 0.000 2.236 111 R HA -0.170 nan 4.340 nan 0.000 0.208 111 R C 2.414 178.726 176.300 0.020 0.000 1.036 111 R CA 2.316 58.413 56.100 -0.004 0.000 1.001 111 R CB 0.128 30.398 30.300 -0.049 0.000 0.896 111 R HN -0.089 8.007 8.270 0.040 0.198 0.464 112 Y N -0.195 120.094 120.300 -0.018 0.000 2.263 112 Y HA -0.295 nan 4.550 nan 0.000 0.292 112 Y C 0.548 176.408 175.900 -0.065 0.000 1.130 112 Y CA 3.120 61.205 58.100 -0.025 0.000 1.179 112 Y CB -0.036 38.421 38.460 -0.006 0.000 0.998 112 Y HN -0.379 7.900 8.280 0.290 0.174 0.532 113 A N -3.421 119.462 122.820 0.105 0.000 2.476 113 A HA 0.096 nan 4.320 nan 0.000 0.263 113 A C -0.081 177.466 177.584 -0.063 0.000 1.342 113 A CA -0.068 51.974 52.037 0.008 0.000 0.926 113 A CB -1.796 17.210 19.000 0.010 0.000 1.019 113 A HN -0.553 7.569 8.150 0.143 0.114 0.515 114 L N -2.013 119.124 121.223 -0.144 0.000 2.162 114 L HA -0.007 nan 4.340 nan 0.000 0.205 114 L C 0.468 177.026 176.870 -0.520 0.000 1.086 114 L CA 1.249 55.937 54.840 -0.254 0.000 0.778 114 L CB 0.685 42.608 42.059 -0.227 0.000 0.928 114 L HN -0.884 7.159 8.230 -0.103 0.125 0.446 115 G N -3.986 104.385 108.800 -0.715 0.000 4.683 115 G HA2 0.232 nan 3.960 nan 0.000 0.273 115 G HA3 0.232 nan 3.960 nan 0.000 0.273 115 G C -0.261 174.558 174.900 -0.134 0.000 1.065 115 G CA -0.188 44.334 45.100 -0.964 0.000 0.837 115 G HN -0.450 7.521 8.290 -0.531 0.000 0.526 116 D N 3.626 124.008 120.400 -0.031 0.000 2.183 116 D HA -0.196 nan 4.640 nan 0.000 0.203 116 D C 1.119 177.465 176.300 0.075 0.000 0.969 116 D CA 3.784 57.798 54.000 0.024 0.000 0.842 116 D CB 0.038 40.836 40.800 -0.003 0.000 0.957 116 D HN -0.245 8.088 8.370 -0.062 0.000 0.484 117 A N -1.751 121.122 122.820 0.088 0.000 2.252 117 A HA 0.007 nan 4.320 nan 0.000 0.207 117 A C 0.285 177.788 177.584 -0.136 0.000 1.194 117 A CA 0.870 52.885 52.037 -0.037 0.000 0.809 117 A CB -0.364 18.564 19.000 -0.120 0.000 0.814 117 A HN -0.199 7.919 8.150 0.107 0.096 0.482 118 F N -1.671 118.316 119.950 0.062 0.000 2.923 118 F HA 0.083 nan 4.527 nan 0.000 0.314 118 F C -0.700 175.167 175.800 0.112 0.000 1.196 118 F CA -1.263 56.822 58.000 0.141 0.000 1.320 118 F CB 0.285 39.480 39.000 0.325 0.000 0.953 118 F HN -0.645 7.654 8.300 0.358 0.216 0.505 119 G N -1.643 107.258 108.800 0.168 0.000 2.182 119 G HA2 -0.445 nan 3.960 nan 0.000 0.248 119 G HA3 -0.445 nan 3.960 nan 0.000 0.248 119 G C -0.951 174.015 174.900 0.110 0.000 1.042 119 G CA 0.348 45.515 45.100 0.111 0.000 0.775 119 G HN -0.483 7.756 8.290 0.103 0.113 0.501 120 M N 0.681 120.345 119.600 0.107 0.000 2.213 120 M HA 0.386 nan 4.480 nan 0.000 0.286 120 M C -2.791 173.542 176.300 0.054 0.000 1.008 120 M CA -2.553 52.803 55.300 0.094 0.000 0.937 120 M CB 2.256 34.930 32.600 0.124 0.000 1.600 120 M HN -0.182 8.067 8.290 0.105 0.105 0.450 121 P HA 0.147 nan 4.420 nan 0.000 0.297 121 P C -1.732 175.585 177.300 0.027 0.000 1.303 121 P CA -0.695 62.419 63.100 0.025 0.000 0.753 121 P CB 0.613 32.325 31.700 0.020 0.000 1.281 122 V N -1.650 118.270 119.914 0.010 0.000 2.547 122 V HA 0.212 nan 4.120 nan 0.000 0.299 122 V C 0.127 176.227 176.094 0.011 0.000 1.040 122 V CA 0.365 62.677 62.300 0.019 0.000 0.913 122 V CB 1.912 33.714 31.823 -0.036 0.000 0.992 122 V HN 0.170 8.357 8.190 -0.004 0.000 0.449 123 G N 6.150 114.975 108.800 0.042 0.000 3.638 123 G HA2 -0.189 nan 3.960 nan 0.000 0.196 123 G HA3 -0.189 nan 3.960 nan 0.000 0.196 123 G C -0.866 174.074 174.900 0.067 0.000 1.315 123 G CA 0.128 45.251 45.100 0.038 0.000 0.944 123 G HN 0.399 8.741 8.290 0.088 0.000 0.434 124 S N 2.700 118.445 115.700 0.074 0.000 2.558 124 S HA -0.094 nan 4.470 nan 0.000 0.293 124 S C -0.198 174.486 174.600 0.141 0.000 1.292 124 S CA 1.231 59.488 58.200 0.095 0.000 1.063 124 S CB 0.456 63.710 63.200 0.090 0.000 0.831 124 S HN -0.421 7.928 8.310 0.065 0.000 0.499 125 V N 5.728 125.724 119.914 0.136 0.000 2.220 125 V HA 0.185 nan 4.120 nan 0.000 0.265 125 V C 0.515 176.654 176.094 0.074 0.000 1.078 125 V CA -0.717 61.681 62.300 0.164 0.000 0.872 125 V CB -1.308 30.588 31.823 0.122 0.000 1.121 125 V HN 0.524 8.776 8.190 0.104 0.000 0.460 126 T N 6.324 120.934 114.554 0.093 0.000 2.833 126 T HA -0.272 nan 4.350 nan 0.000 0.269 126 T C 1.723 176.412 174.700 -0.019 0.000 1.054 126 T CA 3.668 65.805 62.100 0.062 0.000 1.135 126 T CB -0.483 68.419 68.868 0.056 0.000 0.869 126 T HN 0.361 8.712 8.240 0.184 0.000 0.466 127 T N 3.655 118.091 114.554 -0.197 0.000 2.849 127 T HA -0.206 nan 4.350 nan 0.000 0.270 127 T C 1.938 176.570 174.700 -0.114 0.000 1.066 127 T CA 3.170 65.124 62.100 -0.244 0.000 1.130 127 T CB -0.739 67.779 68.868 -0.583 0.000 0.864 127 T HN 0.348 8.368 8.240 -0.366 0.000 0.481 128 G N 0.181 108.939 108.800 -0.070 0.000 3.707 128 G HA2 0.205 nan 3.960 nan 0.000 0.286 128 G HA3 0.205 nan 3.960 nan 0.000 0.286 128 G C -1.492 173.417 174.900 0.016 0.000 1.112 128 G CA -0.176 44.913 45.100 -0.018 0.000 0.861 128 G HN 0.344 8.419 8.290 -0.067 0.174 0.534 129 K N 1.383 121.804 120.400 0.034 0.000 2.498 129 K HA 0.279 nan 4.320 nan 0.000 0.207 129 K C 0.097 176.720 176.600 0.038 0.000 1.033 129 K CA -1.087 55.233 56.287 0.053 0.000 1.138 129 K CB -0.203 32.370 32.500 0.122 0.000 0.860 129 K HN 0.212 8.304 8.250 0.028 0.175 0.490 130 M N 2.445 122.063 119.600 0.030 0.000 2.065 130 M HA -0.254 nan 4.480 nan 0.000 0.259 130 M C -0.779 175.538 176.300 0.028 0.000 1.069 130 M CA 4.308 59.628 55.300 0.034 0.000 1.110 130 M CB 0.694 33.311 32.600 0.029 0.000 1.328 130 M HN -0.479 7.707 8.290 0.021 0.117 0.405 131 L N -1.540 119.695 121.223 0.020 0.000 2.325 131 L HA 0.049 nan 4.340 nan 0.000 0.284 131 L C -1.775 175.092 176.870 -0.005 0.000 1.089 131 L CA 0.585 55.429 54.840 0.006 0.000 0.836 131 L CB 0.589 42.654 42.059 0.010 0.000 1.184 131 L HN 0.096 8.235 8.230 0.021 0.103 0.444 132 A N 6.714 129.516 122.820 -0.030 0.000 2.585 132 A HA 0.288 nan 4.320 nan 0.000 0.266 132 A C 0.178 177.718 177.584 -0.074 0.000 1.178 132 A CA 0.177 52.187 52.037 -0.044 0.000 0.966 132 A CB -0.420 18.549 19.000 -0.053 0.000 1.170 132 A HN 0.203 8.327 8.150 -0.043 0.000 0.558 133 A N 0.624 123.390 122.820 -0.090 0.000 1.929 133 A HA -0.060 nan 4.320 nan 0.000 0.216 133 A C 0.901 178.449 177.584 -0.060 0.000 1.176 133 A CA 2.796 54.730 52.037 -0.171 0.000 0.628 133 A CB -0.319 18.514 19.000 -0.278 0.000 0.816 133 A HN 0.415 8.530 8.150 -0.057 0.000 0.444 134 L N -2.910 118.334 121.223 0.036 0.000 2.127 134 L HA -0.119 nan 4.340 nan 0.000 0.203 134 L C 2.272 179.204 176.870 0.105 0.000 1.080 134 L CA 2.089 57.033 54.840 0.173 0.000 0.768 134 L CB 0.133 42.301 42.059 0.181 0.000 0.924 134 L HN -0.607 7.638 8.230 0.024 0.000 0.444 135 Q N -0.293 119.525 119.800 0.030 0.000 2.135 135 Q HA -0.332 nan 4.340 nan 0.000 0.204 135 Q C 2.701 178.650 176.000 -0.085 0.000 0.981 135 Q CA 3.276 59.070 55.803 -0.014 0.000 0.856 135 Q CB -0.328 28.403 28.738 -0.011 0.000 0.902 135 Q HN 0.228 8.517 8.270 0.031 0.000 0.425 136 K N -0.584 119.756 120.400 -0.100 0.000 2.365 136 K HA -0.130 nan 4.320 nan 0.000 0.199 136 K C 0.877 177.365 176.600 -0.186 0.000 1.045 136 K CA 2.055 58.266 56.287 -0.126 0.000 0.962 136 K CB 0.051 32.481 32.500 -0.117 0.000 0.759 136 K HN -0.092 8.003 8.250 -0.082 0.106 0.469 137 L N -2.122 118.947 121.223 -0.258 0.000 2.741 137 L HA 0.152 nan 4.340 nan 0.000 0.237 137 L C -0.003 176.368 176.870 -0.832 0.000 1.178 137 L CA -0.263 54.295 54.840 -0.470 0.000 0.973 137 L CB 0.095 41.897 42.059 -0.429 0.000 1.255 137 L HN -0.462 7.486 8.230 -0.194 0.166 0.498 138 G N -1.421 107.091 108.800 -0.479 0.000 2.232 138 G HA2 -0.342 nan 3.960 nan 0.000 0.226 138 G HA3 -0.342 nan 3.960 nan 0.000 0.226 138 G C -0.050 174.743 174.900 -0.179 0.000 0.996 138 G CA 0.470 45.350 45.100 -0.367 0.000 0.626 138 G HN 0.049 7.957 8.290 -0.295 0.206 0.509 139 F N 3.359 123.281 119.950 -0.048 0.000 2.605 139 F HA 0.048 nan 4.527 nan 0.000 0.352 139 F C -1.370 174.405 175.800 -0.043 0.000 1.236 139 F CA -2.367 55.602 58.000 -0.051 0.000 1.267 139 F CB -2.129 36.844 39.000 -0.045 0.000 1.632 139 F HN -0.401 7.599 8.300 -0.345 0.093 0.639 140 A N 0.067 122.952 122.820 0.109 0.000 2.308 140 A HA -0.060 nan 4.320 nan 0.000 0.217 140 A C -1.424 176.277 177.584 0.195 0.000 1.216 140 A CA 0.398 52.481 52.037 0.077 0.000 0.864 140 A CB 0.943 19.935 19.000 -0.013 0.000 0.902 140 A HN -0.134 7.989 8.150 0.062 0.064 0.499 141 H N -4.411 114.600 119.070 -0.097 0.000 2.865 141 H HA 0.488 nan 4.556 nan 0.000 0.362 141 H C -0.729 174.406 175.328 -0.321 0.000 1.114 141 H CA -1.918 53.918 56.048 -0.353 0.000 1.208 141 H CB 1.887 31.296 29.762 -0.589 0.000 1.727 141 H HN -0.674 7.596 8.280 0.143 0.096 0.534 142 C N 0.382 119.510 119.300 -0.288 0.000 0.221 142 C HA -0.132 nan 4.460 nan 0.000 0.020 142 C C -2.019 172.701 174.990 -0.450 0.000 0.175 142 C CA -1.128 57.683 59.018 -0.345 0.000 0.501 142 C CB -0.149 27.522 27.740 -0.115 0.000 3.208 142 C HN 0.927 8.905 8.230 -0.288 0.079 1.116 143 W N 1.242 122.521 121.300 -0.035 0.000 2.303 143 W HA 0.162 nan 4.660 nan 0.000 0.334 143 W C -0.228 176.317 176.519 0.044 0.000 1.197 143 W CA -0.664 56.654 57.345 -0.044 0.000 1.262 143 W CB 0.902 30.333 29.460 -0.048 0.000 1.153 143 W HN -0.014 8.294 8.180 0.214 0.000 0.596 144 D N 0.156 120.710 120.400 0.257 0.000 2.348 144 D HA 0.105 nan 4.640 nan 0.000 0.253 144 D C 1.222 177.627 176.300 0.176 0.000 1.161 144 D CA 1.093 55.185 54.000 0.154 0.000 0.876 144 D CB 1.118 41.991 40.800 0.123 0.000 1.160 144 D HN 0.225 8.764 8.370 0.282 0.000 0.459 145 T N 2.311 116.901 114.554 0.059 0.000 3.658 145 T HA -0.046 nan 4.350 nan 0.000 0.250 145 T C -0.014 174.664 174.700 -0.037 0.000 1.060 145 T CA 0.843 62.929 62.100 -0.022 0.000 0.962 145 T CB -2.069 66.776 68.868 -0.039 0.000 1.075 145 T HN 0.420 8.675 8.240 0.025 0.000 0.610 146 E N 0.632 120.854 120.200 0.038 0.000 2.134 146 E HA 0.096 nan 4.350 nan 0.000 0.194 146 E C 2.001 178.636 176.600 0.058 0.000 0.937 146 E CA 1.177 57.616 56.400 0.064 0.000 0.874 146 E CB 1.031 30.799 29.700 0.113 0.000 0.853 146 E HN 0.053 8.340 8.360 0.127 0.150 0.471 147 F N -0.652 119.289 119.950 -0.016 0.000 2.259 147 F HA -0.081 nan 4.527 nan 0.000 0.298 147 F C 1.019 176.765 175.800 -0.091 0.000 1.088 147 F CA 2.860 60.836 58.000 -0.040 0.000 1.358 147 F CB -0.634 38.337 39.000 -0.048 0.000 1.040 147 F HN -0.625 7.931 8.300 0.427 0.000 0.505 148 T N 0.001 113.991 114.554 -0.940 0.000 2.881 148 T HA -0.360 nan 4.350 nan 0.000 0.270 148 T C 1.298 175.734 174.700 -0.440 0.000 1.068 148 T CA 3.606 65.216 62.100 -0.817 0.000 1.131 148 T CB -0.962 67.467 68.868 -0.732 0.000 0.871 148 T HN 0.263 7.897 8.240 -1.009 0.000 0.479 149 A N -0.555 122.080 122.820 -0.309 0.000 2.220 149 A HA 0.136 nan 4.320 nan 0.000 0.211 149 A C 1.039 178.520 177.584 -0.171 0.000 1.176 149 A CA 1.645 53.504 52.037 -0.296 0.000 0.834 149 A CB -0.002 18.848 19.000 -0.250 0.000 0.868 149 A HN -0.126 7.686 8.150 -0.250 0.188 0.488 150 D N 0.904 121.259 120.400 -0.076 0.000 2.144 150 D HA -0.222 nan 4.640 nan 0.000 0.200 150 D C 1.902 178.219 176.300 0.028 0.000 0.978 150 D CA 4.526 58.585 54.000 0.098 0.000 0.833 150 D CB 0.096 40.992 40.800 0.160 0.000 0.961 150 D HN -0.399 7.707 8.370 -0.133 0.185 0.470 151 V N -0.712 119.073 119.914 -0.215 0.000 2.332 151 V HA -0.431 nan 4.120 nan 0.000 0.248 151 V C 2.100 178.112 176.094 -0.137 0.000 1.055 151 V CA 4.646 66.796 62.300 -0.250 0.000 1.038 151 V CB -1.009 30.617 31.823 -0.329 0.000 0.651 151 V HN -0.334 7.607 8.190 -0.282 0.080 0.450 152 T N 2.501 116.936 114.554 -0.198 0.000 2.684 152 T HA -0.358 nan 4.350 nan 0.000 0.267 152 T C 1.868 176.494 174.700 -0.122 0.000 1.036 152 T CA 4.157 66.133 62.100 -0.208 0.000 1.148 152 T CB -0.642 67.955 68.868 -0.452 0.000 0.863 152 T HN -0.641 7.378 8.240 -0.264 0.063 0.436 153 I N 1.224 121.745 120.570 -0.082 0.000 2.439 153 I HA -0.283 nan 4.170 nan 0.000 0.251 153 I C 1.658 177.597 176.117 -0.297 0.000 1.139 153 I CA 1.380 62.642 61.300 -0.064 0.000 1.438 153 I CB -1.520 36.523 38.000 0.072 0.000 1.085 153 I HN -0.371 7.720 8.210 -0.092 0.064 0.427 154 W N 0.198 121.201 121.300 -0.495 0.000 2.355 154 W HA -0.420 nan 4.660 nan 0.000 0.309 154 W C 2.537 178.663 176.519 -0.654 0.000 1.206 154 W CA 4.971 61.849 57.345 -0.779 0.000 1.284 154 W CB -0.726 28.586 29.460 -0.246 0.000 1.145 154 W HN 0.912 9.097 8.180 0.212 0.122 0.502 155 E N -2.539 117.601 120.200 -0.101 0.000 2.047 155 E HA -0.377 nan 4.350 nan 0.000 0.191 155 E C 2.575 179.093 176.600 -0.136 0.000 0.987 155 E CA 3.177 59.530 56.400 -0.080 0.000 0.799 155 E CB -0.780 28.897 29.700 -0.038 0.000 0.752 155 E HN 0.037 8.382 8.360 -0.025 0.000 0.449 156 E N 0.216 120.314 120.200 -0.171 0.000 2.077 156 E HA -0.283 nan 4.350 nan 0.000 0.193 156 E C 2.546 179.018 176.600 -0.212 0.000 0.989 156 E CA 2.688 58.974 56.400 -0.190 0.000 0.800 156 E CB -0.120 29.447 29.700 -0.223 0.000 0.746 156 E HN -0.041 8.228 8.360 -0.153 0.000 0.452 157 G N -1.420 107.161 108.800 -0.366 0.000 2.404 157 G HA2 -0.291 nan 3.960 nan 0.000 0.215 157 G HA3 -0.291 nan 3.960 nan 0.000 0.215 157 G C 1.599 176.462 174.900 -0.061 0.000 1.174 157 G CA 2.252 47.175 45.100 -0.294 0.000 0.780 157 G HN 0.523 8.393 8.290 -0.501 0.121 0.537 158 S N 2.691 118.265 115.700 -0.210 0.000 2.383 158 S HA -0.323 nan 4.470 nan 0.000 0.227 158 S C 1.916 176.551 174.600 0.058 0.000 1.026 158 S CA 4.580 62.804 58.200 0.040 0.000 0.981 158 S CB -0.212 63.005 63.200 0.029 0.000 0.818 158 S HN 0.282 8.181 8.310 -0.497 0.112 0.472 159 E N 2.660 122.878 120.200 0.029 0.000 2.077 159 E HA -0.250 nan 4.350 nan 0.000 0.193 159 E C 1.801 178.474 176.600 0.121 0.000 0.989 159 E CA 2.618 59.052 56.400 0.057 0.000 0.800 159 E CB -0.420 29.306 29.700 0.043 0.000 0.746 159 E HN -0.139 8.205 8.360 -0.027 0.000 0.452 160 F N -0.082 119.855 119.950 -0.023 0.000 2.186 160 F HA -0.255 nan 4.527 nan 0.000 0.299 160 F C 1.948 177.783 175.800 0.057 0.000 1.090 160 F CA 3.657 61.673 58.000 0.026 0.000 1.307 160 F CB 0.254 39.247 39.000 -0.012 0.000 1.019 160 F HN 0.110 8.370 8.300 0.215 0.169 0.489 161 V N -0.346 119.645 119.914 0.128 0.000 2.343 161 V HA -0.556 nan 4.120 nan 0.000 0.247 161 V C 2.213 178.295 176.094 -0.021 0.000 1.051 161 V CA 4.664 66.991 62.300 0.045 0.000 1.036 161 V CB -0.968 30.929 31.823 0.123 0.000 0.654 161 V HN 0.693 8.906 8.190 0.225 0.112 0.451 162 E N -0.987 119.212 120.200 -0.002 0.000 2.150 162 E HA -0.330 nan 4.350 nan 0.000 0.193 162 E C 2.847 179.405 176.600 -0.071 0.000 0.985 162 E CA 3.506 59.891 56.400 -0.025 0.000 0.814 162 E CB -0.429 29.268 29.700 -0.006 0.000 0.752 162 E HN 0.262 8.465 8.360 0.037 0.179 0.466 163 R N 0.073 120.514 120.500 -0.100 0.000 2.066 163 R HA -0.245 nan 4.340 nan 0.000 0.232 163 R C 2.994 179.169 176.300 -0.207 0.000 1.131 163 R CA 3.244 59.235 56.100 -0.182 0.000 0.955 163 R CB -0.008 30.183 30.300 -0.182 0.000 0.851 163 R HN 0.268 8.320 8.270 -0.058 0.183 0.432 164 L N -1.594 119.504 121.223 -0.210 0.000 2.191 164 L HA -0.274 nan 4.340 nan 0.000 0.212 164 L C 1.472 178.283 176.870 -0.099 0.000 1.103 164 L CA 2.980 57.724 54.840 -0.160 0.000 0.769 164 L CB -0.236 41.700 42.059 -0.205 0.000 0.908 164 L HN 0.531 8.487 8.230 -0.269 0.112 0.438 165 T N -8.330 106.171 114.554 -0.088 0.000 3.107 165 T HA 0.065 nan 4.350 nan 0.000 0.249 165 T C 0.137 174.799 174.700 -0.064 0.000 1.096 165 T CA -0.324 61.737 62.100 -0.064 0.000 1.012 165 T CB -0.570 68.269 68.868 -0.049 0.000 0.977 165 T HN -0.194 7.875 8.240 -0.092 0.116 0.527 166 K N -2.617 117.731 120.400 -0.086 0.000 3.391 166 K HA -0.481 nan 4.320 nan 0.000 0.307 166 K C 0.614 177.169 176.600 -0.075 0.000 1.304 166 K CA 1.667 57.899 56.287 -0.092 0.000 0.904 166 K CB -1.430 31.027 32.500 -0.071 0.000 1.293 166 K HN 0.026 7.999 8.250 -0.107 0.213 0.470 167 K N 0.046 120.407 120.400 -0.066 0.000 2.116 167 K HA -0.101 nan 4.320 nan 0.000 0.203 167 K C -0.060 176.508 176.600 -0.052 0.000 1.052 167 K CA 2.103 58.361 56.287 -0.049 0.000 0.952 167 K CB 0.569 33.048 32.500 -0.036 0.000 0.729 167 K HN -0.165 7.973 8.250 -0.069 0.071 0.446 168 S N -1.998 113.663 115.700 -0.065 0.000 2.399 168 S HA 0.287 nan 4.470 nan 0.000 0.198 168 S C -1.757 172.784 174.600 -0.100 0.000 1.294 168 S CA -0.984 57.176 58.200 -0.066 0.000 1.237 168 S CB 0.980 64.154 63.200 -0.042 0.000 1.286 168 S HN -0.330 7.823 8.310 -0.075 0.113 0.404 169 D N 4.039 124.361 120.400 -0.129 0.000 3.134 169 D HA 0.078 nan 4.640 nan 0.000 0.248 169 D C -1.717 174.481 176.300 -0.169 0.000 1.273 169 D CA -0.593 53.284 54.000 -0.206 0.000 0.904 169 D CB -0.360 40.299 40.800 -0.234 0.000 1.089 169 D HN -0.042 8.264 8.370 -0.108 0.000 0.478 170 M N -0.773 118.750 119.600 -0.128 0.000 2.755 170 M HA 0.193 nan 4.480 nan 0.000 0.276 170 M C -2.733 173.493 176.300 -0.123 0.000 1.129 170 M CA -1.773 53.457 55.300 -0.116 0.000 0.832 170 M CB 2.798 35.339 32.600 -0.099 0.000 1.700 170 M HN -0.763 7.370 8.290 -0.114 0.089 0.518 171 P HA 0.253 nan 4.420 nan 0.000 0.274 171 P C -1.761 175.420 177.300 -0.200 0.000 1.291 171 P CA -0.152 62.768 63.100 -0.299 0.000 0.815 171 P CB -0.666 30.678 31.700 -0.593 0.000 0.897 172 L N 5.822 127.014 121.223 -0.051 0.000 2.326 172 L HA 0.274 nan 4.340 nan 0.000 0.278 172 L C -1.610 175.414 176.870 0.257 0.000 1.092 172 L CA -1.965 52.943 54.840 0.112 0.000 0.810 172 L CB -0.281 41.842 42.059 0.106 0.000 1.153 172 L HN -0.139 8.058 8.230 -0.055 0.000 0.439 173 P HA 0.354 nan 4.420 nan 0.000 0.283 173 P C -2.189 175.271 177.300 0.265 0.000 1.271 173 P CA -1.359 61.983 63.100 0.403 0.000 0.841 173 P CB 1.055 33.086 31.700 0.552 0.000 1.122 174 Q N 0.110 120.102 119.800 0.319 0.000 2.327 174 Q HA 0.451 nan 4.340 nan 0.000 0.254 174 Q C -0.786 175.432 176.000 0.363 0.000 0.952 174 Q CA 0.623 56.584 55.803 0.263 0.000 0.884 174 Q CB 1.213 30.207 28.738 0.427 0.000 1.224 174 Q HN 0.468 8.883 8.270 0.442 0.120 0.422 175 F N 3.917 123.826 119.950 -0.070 0.000 2.572 175 F HA 0.443 nan 4.527 nan 0.000 0.342 175 F C 0.273 176.042 175.800 -0.051 0.000 1.064 175 F CA -3.369 54.510 58.000 -0.201 0.000 1.008 175 F CB 2.414 41.061 39.000 -0.587 0.000 1.303 175 F HN 0.913 9.013 8.300 -0.155 0.106 0.492 176 T N 0.308 115.105 114.554 0.406 0.000 3.474 176 T HA 0.186 nan 4.350 nan 0.000 0.270 176 T C 1.550 176.632 174.700 0.636 0.000 1.079 176 T CA -0.284 62.124 62.100 0.514 0.000 1.110 176 T CB -2.254 66.847 68.868 0.388 0.000 1.087 176 T HN 0.425 8.946 8.240 0.469 0.000 0.784 177 S N 6.199 122.244 115.700 0.575 0.000 2.419 177 S HA -0.239 nan 4.470 nan 0.000 0.233 177 S C 0.707 175.558 174.600 0.418 0.000 1.016 177 S CA 2.602 61.153 58.200 0.585 0.000 0.974 177 S CB -0.083 63.393 63.200 0.460 0.000 0.786 177 S HN -0.135 8.459 8.310 0.473 0.000 0.492 178 C N -1.921 117.632 119.300 0.423 0.000 2.481 178 C HA 0.067 nan 4.460 nan 0.000 0.275 178 C C -0.060 175.156 174.990 0.377 0.000 1.419 178 C CA -0.732 58.539 59.018 0.422 0.000 1.773 178 C CB -1.482 26.619 27.740 0.601 0.000 1.862 178 C HN -0.254 8.222 8.230 0.456 0.027 0.530 179 C N 2.424 121.939 119.300 0.359 0.000 2.223 179 C HA 0.486 nan 4.460 nan 0.000 0.324 179 C C -1.628 173.562 174.990 0.334 0.000 1.196 179 C CA -3.362 55.838 59.018 0.303 0.000 1.628 179 C CB -0.297 27.607 27.740 0.273 0.000 2.229 179 C HN -0.527 7.796 8.230 0.429 0.164 0.486 180 P HA -0.029 nan 4.420 nan 0.000 0.236 180 P C 0.524 177.953 177.300 0.214 0.000 1.177 180 P CA 1.941 65.168 63.100 0.212 0.000 0.773 180 P CB 0.349 32.141 31.700 0.153 0.000 0.878 181 G N -1.282 107.674 108.800 0.259 0.000 2.418 181 G HA2 -0.323 nan 3.960 nan 0.000 0.217 181 G HA3 -0.323 nan 3.960 nan 0.000 0.217 181 G C 0.700 175.831 174.900 0.384 0.000 1.158 181 G CA 1.473 46.747 45.100 0.290 0.000 0.771 181 G HN 0.274 8.652 8.290 0.267 0.072 0.545 182 W N 1.934 123.322 121.300 0.146 0.000 2.476 182 W HA -0.227 nan 4.660 nan 0.000 0.281 182 W C 1.072 177.637 176.519 0.076 0.000 1.230 182 W CA 1.624 58.997 57.345 0.047 0.000 1.287 182 W CB 0.654 30.135 29.460 0.034 0.000 1.108 182 W HN -0.007 8.375 8.180 0.539 0.121 0.567 183 Q N 0.072 119.972 119.800 0.167 0.000 2.084 183 Q HA -0.444 nan 4.340 nan 0.000 0.202 183 Q C 1.822 177.706 176.000 -0.194 0.000 0.978 183 Q CA 3.795 59.538 55.803 -0.099 0.000 0.844 183 Q CB -0.189 28.598 28.738 0.082 0.000 0.898 183 Q HN -0.420 7.979 8.270 0.337 0.074 0.426 184 K N -0.433 119.949 120.400 -0.030 0.000 2.057 184 K HA -0.326 nan 4.320 nan 0.000 0.206 184 K C 2.189 178.727 176.600 -0.104 0.000 1.050 184 K CA 3.156 59.419 56.287 -0.040 0.000 0.935 184 K CB -0.103 32.436 32.500 0.065 0.000 0.715 184 K HN -0.014 8.103 8.250 0.077 0.180 0.439 185 Y N 0.544 120.756 120.300 -0.146 0.000 2.181 185 Y HA -0.491 nan 4.550 nan 0.000 0.288 185 Y C 1.297 176.948 175.900 -0.415 0.000 1.146 185 Y CA 3.500 61.505 58.100 -0.159 0.000 1.164 185 Y CB -0.092 38.288 38.460 -0.135 0.000 0.982 185 Y HN 0.275 8.544 8.280 0.176 0.117 0.515 186 A N -1.658 120.869 122.820 -0.488 0.000 1.865 186 A HA -0.422 nan 4.320 nan 0.000 0.217 186 A C 2.486 179.835 177.584 -0.392 0.000 1.191 186 A CA 3.371 55.034 52.037 -0.624 0.000 0.623 186 A CB -1.086 17.031 19.000 -1.472 0.000 0.826 186 A HN 0.416 8.117 8.150 -0.567 0.108 0.444 187 E N -2.472 117.505 120.200 -0.370 0.000 2.110 187 E HA -0.321 nan 4.350 nan 0.000 0.193 187 E C 2.196 178.609 176.600 -0.313 0.000 0.988 187 E CA 2.596 58.832 56.400 -0.275 0.000 0.804 187 E CB 0.099 29.668 29.700 -0.218 0.000 0.745 187 E HN -0.138 7.985 8.360 -0.395 0.000 0.458 188 T N -1.509 112.768 114.554 -0.462 0.000 2.983 188 T HA -0.037 nan 4.350 nan 0.000 0.250 188 T C 1.153 175.337 174.700 -0.860 0.000 1.037 188 T CA 2.909 64.572 62.100 -0.728 0.000 1.142 188 T CB 0.785 69.080 68.868 -0.956 0.000 0.876 188 T HN -0.006 7.881 8.240 -0.440 0.089 0.455 189 Y N -4.310 115.716 120.300 -0.457 0.000 2.432 189 Y HA 0.131 nan 4.550 nan 0.000 0.252 189 Y C -0.447 175.335 175.900 -0.198 0.000 1.097 189 Y CA -0.245 57.564 58.100 -0.486 0.000 1.250 189 Y CB 2.608 40.430 38.460 -1.062 0.000 1.245 189 Y HN 0.130 7.891 8.280 -0.665 0.120 0.522 190 Y N -1.042 119.171 120.300 -0.146 0.000 2.638 190 Y HA 0.427 nan 4.550 nan 0.000 0.367 190 Y C -2.143 173.704 175.900 -0.089 0.000 1.001 190 Y CA -3.951 54.111 58.100 -0.064 0.000 1.133 190 Y CB -0.801 37.630 38.460 -0.050 0.000 1.199 190 Y HN -0.367 7.738 8.280 -0.126 0.100 0.642 191 P HA -0.023 nan 4.420 nan 0.000 0.233 191 P C 0.015 177.314 177.300 -0.001 0.000 1.167 191 P CA 1.502 64.591 63.100 -0.018 0.000 0.770 191 P CB 0.092 31.772 31.700 -0.033 0.000 0.837 192 E N -3.736 116.482 120.200 0.029 0.000 2.460 192 E HA -0.003 nan 4.350 nan 0.000 0.200 192 E C -0.245 176.389 176.600 0.056 0.000 1.011 192 E CA 0.766 57.183 56.400 0.030 0.000 0.912 192 E CB -0.826 28.892 29.700 0.030 0.000 0.953 192 E HN 0.406 8.724 8.360 0.053 0.074 0.494 193 L N -0.856 120.416 121.223 0.083 0.000 2.741 193 L HA 0.088 nan 4.340 nan 0.000 0.237 193 L C 1.517 178.550 176.870 0.272 0.000 1.178 193 L CA -0.231 54.721 54.840 0.186 0.000 0.973 193 L CB -0.365 41.747 42.059 0.088 0.000 1.255 193 L HN -0.034 8.064 8.230 0.069 0.173 0.498 194 L N 0.075 121.368 121.223 0.116 0.000 2.042 194 L HA -0.264 nan 4.340 nan 0.000 0.210 194 L C -0.579 176.389 176.870 0.163 0.000 1.076 194 L CA 4.715 59.603 54.840 0.080 0.000 0.749 194 L CB -3.112 38.943 42.059 -0.007 0.000 0.893 194 L HN 0.244 8.404 8.230 0.061 0.107 0.432 195 P HA -0.471 nan 4.420 nan 0.000 0.264 195 P C -0.033 177.234 177.300 -0.056 0.000 0.778 195 P CA 2.569 65.668 63.100 -0.002 0.000 1.014 195 P CB -1.517 30.126 31.700 -0.094 0.000 0.834 196 H N -3.869 115.182 119.070 -0.033 0.000 2.549 196 H HA 0.260 nan 4.556 nan 0.000 0.279 196 H C -0.271 174.890 175.328 -0.278 0.000 1.018 196 H CA 0.205 56.047 56.048 -0.344 0.000 1.175 196 H CB 1.772 30.904 29.762 -1.049 0.000 1.485 196 H HN -0.016 8.411 8.280 0.442 0.118 0.543 197 F N 0.103 120.087 119.950 0.056 0.000 2.542 197 F HA 0.210 nan 4.527 nan 0.000 0.323 197 F C -1.341 174.504 175.800 0.074 0.000 1.411 197 F CA -1.655 56.404 58.000 0.098 0.000 1.124 197 F CB -0.094 38.939 39.000 0.055 0.000 1.331 197 F HN -0.230 8.200 8.300 0.364 0.089 0.560 198 S N 2.647 118.462 115.700 0.191 0.000 2.887 198 S HA -0.166 nan 4.470 nan 0.000 0.337 198 S C 0.441 175.129 174.600 0.146 0.000 1.209 198 S CA 1.132 59.409 58.200 0.128 0.000 1.186 198 S CB -0.176 63.079 63.200 0.091 0.000 0.925 198 S HN -0.034 8.362 8.310 0.145 0.000 0.522 199 T N 5.926 120.549 114.554 0.115 0.000 3.783 199 T HA 0.232 nan 4.350 nan 0.000 0.262 199 T C -0.218 174.534 174.700 0.087 0.000 1.381 199 T CA -1.343 60.830 62.100 0.123 0.000 1.155 199 T CB -1.834 67.085 68.868 0.086 0.000 1.256 199 T HN 0.438 8.735 8.240 0.095 0.000 0.807 200 C N 5.235 124.595 119.300 0.100 0.000 2.658 200 C HA -0.128 nan 4.460 nan 0.000 0.376 200 C C -0.266 174.763 174.990 0.066 0.000 1.202 200 C CA -0.684 58.368 59.018 0.056 0.000 1.435 200 C CB -2.219 25.556 27.740 0.058 0.000 2.076 200 C HN 0.017 8.240 8.230 0.131 0.086 0.569 201 K N 4.256 124.667 120.400 0.018 0.000 2.338 201 K HA 0.039 nan 4.320 nan 0.000 0.290 201 K C -0.125 176.457 176.600 -0.030 0.000 1.069 201 K CA -0.674 55.623 56.287 0.017 0.000 0.941 201 K CB -0.452 32.044 32.500 -0.007 0.000 1.023 201 K HN -0.233 8.017 8.250 -0.001 0.000 0.477 202 S N 7.077 122.790 115.700 0.021 0.000 2.930 202 S HA -0.319 nan 4.470 nan 0.000 0.351 202 S C -0.079 174.459 174.600 -0.103 0.000 1.210 202 S CA 0.021 58.214 58.200 -0.011 0.000 0.993 202 S CB -0.947 62.313 63.200 0.100 0.000 0.682 202 S HN 0.407 8.777 8.310 0.100 0.000 0.484 203 P HA -0.332 nan 4.420 nan 0.000 0.224 203 P C 0.653 177.889 177.300 -0.106 0.000 1.154 203 P CA 2.744 65.749 63.100 -0.159 0.000 0.868 203 P CB -0.266 31.326 31.700 -0.179 0.000 0.782 204 I N -3.099 117.429 120.570 -0.070 0.000 2.756 204 I HA -0.267 nan 4.170 nan 0.000 0.262 204 I C 1.240 177.320 176.117 -0.063 0.000 1.225 204 I CA 0.745 62.004 61.300 -0.068 0.000 1.472 204 I CB -0.678 37.282 38.000 -0.068 0.000 1.094 204 I HN -0.251 7.928 8.210 -0.051 0.000 0.454 205 G N 0.590 109.352 108.800 -0.064 0.000 2.524 205 G HA2 -0.416 nan 3.960 nan 0.000 0.215 205 G HA3 -0.416 nan 3.960 nan 0.000 0.215 205 G C 0.920 175.763 174.900 -0.094 0.000 1.239 205 G CA 2.494 47.555 45.100 -0.065 0.000 0.798 205 G HN 0.466 8.610 8.290 -0.059 0.111 0.557 206 M N 0.881 120.397 119.600 -0.141 0.000 2.089 206 M HA -0.452 nan 4.480 nan 0.000 0.257 206 M C 2.176 178.354 176.300 -0.204 0.000 1.071 206 M CA 2.389 57.566 55.300 -0.206 0.000 1.096 206 M CB -1.163 31.319 32.600 -0.195 0.000 1.330 206 M HN -0.461 7.743 8.290 -0.144 0.000 0.403 207 N N -0.409 118.198 118.700 -0.156 0.000 2.300 207 N HA -0.063 nan 4.740 nan 0.000 0.179 207 N C 2.242 177.745 175.510 -0.012 0.000 1.016 207 N CA 3.317 56.308 53.050 -0.097 0.000 0.876 207 N CB 0.183 38.639 38.487 -0.051 0.000 0.979 207 N HN 0.502 8.672 8.380 -0.147 0.121 0.432 208 G N -1.638 107.150 108.800 -0.021 0.000 2.511 208 G HA2 -0.082 nan 3.960 nan 0.000 0.217 208 G HA3 -0.082 nan 3.960 nan 0.000 0.217 208 G C 0.461 175.364 174.900 0.005 0.000 1.133 208 G CA 1.453 46.560 45.100 0.011 0.000 0.792 208 G HN 0.405 8.556 8.290 -0.049 0.110 0.539 209 A N 2.074 124.875 122.820 -0.032 0.000 1.855 209 A HA 0.036 nan 4.320 nan 0.000 0.213 209 A C 2.061 179.625 177.584 -0.034 0.000 1.195 209 A CA 2.708 54.722 52.037 -0.038 0.000 0.610 209 A CB -0.251 18.708 19.000 -0.069 0.000 0.837 209 A HN -0.073 8.028 8.150 -0.058 0.015 0.444 210 L N -2.183 119.002 121.223 -0.063 0.000 2.296 210 L HA -0.060 nan 4.340 nan 0.000 0.193 210 L C 1.886 178.790 176.870 0.056 0.000 1.123 210 L CA 2.888 57.699 54.840 -0.049 0.000 0.805 210 L CB 0.031 41.998 42.059 -0.153 0.000 1.004 210 L HN 0.508 8.674 8.230 -0.105 0.000 0.478 211 A N -1.471 121.409 122.820 0.100 0.000 1.930 211 A HA -0.187 nan 4.320 nan 0.000 0.215 211 A C 2.050 179.708 177.584 0.124 0.000 1.176 211 A CA 3.003 55.176 52.037 0.226 0.000 0.632 211 A CB -0.911 18.323 19.000 0.390 0.000 0.819 211 A HN -0.468 7.687 8.150 0.008 0.000 0.445 212 K N -1.479 119.055 120.400 0.223 0.000 1.991 212 K HA -0.371 nan 4.320 nan 0.000 0.212 212 K C 1.838 178.502 176.600 0.106 0.000 1.049 212 K CA 4.199 60.677 56.287 0.318 0.000 0.932 212 K CB -0.092 32.548 32.500 0.233 0.000 0.717 212 K HN 0.530 8.781 8.250 0.175 0.104 0.441 213 T N 0.888 115.484 114.554 0.070 0.000 2.737 213 T HA -0.229 nan 4.350 nan 0.000 0.265 213 T C 2.202 176.902 174.700 0.000 0.000 1.038 213 T CA 4.282 66.412 62.100 0.050 0.000 1.144 213 T CB -0.665 68.240 68.868 0.062 0.000 0.866 213 T HN -0.107 8.183 8.240 0.082 0.000 0.434 214 Y N 2.826 123.017 120.300 -0.182 0.000 2.263 214 Y HA -0.297 nan 4.550 nan 0.000 0.292 214 Y C 1.650 177.294 175.900 -0.427 0.000 1.130 214 Y CA 2.669 60.629 58.100 -0.234 0.000 1.179 214 Y CB 0.075 38.429 38.460 -0.178 0.000 0.998 214 Y HN 0.323 8.670 8.280 0.112 0.000 0.532 215 G N -1.539 106.859 108.800 -0.670 0.000 2.421 215 G HA2 -0.482 nan 3.960 nan 0.000 0.216 215 G HA3 -0.482 nan 3.960 nan 0.000 0.216 215 G C 0.537 174.931 174.900 -0.844 0.000 1.171 215 G CA 1.807 46.030 45.100 -1.460 0.000 0.775 215 G HN 0.384 8.230 8.290 -0.544 0.117 0.543 216 A N 1.583 124.143 122.820 -0.433 0.000 1.877 216 A HA -0.301 nan 4.320 nan 0.000 0.216 216 A C 1.874 179.383 177.584 -0.124 0.000 1.186 216 A CA 3.033 55.079 52.037 0.014 0.000 0.620 216 A CB -0.800 18.311 19.000 0.186 0.000 0.822 216 A HN 0.277 8.051 8.150 -0.443 0.110 0.443 217 E N -1.213 118.871 120.200 -0.194 0.000 2.085 217 E HA -0.331 nan 4.350 nan 0.000 0.194 217 E C 2.992 179.416 176.600 -0.293 0.000 0.994 217 E CA 3.146 59.417 56.400 -0.214 0.000 0.801 217 E CB 0.028 29.582 29.700 -0.244 0.000 0.743 217 E HN 0.041 8.179 8.360 -0.188 0.109 0.453 218 R N -2.015 118.237 120.500 -0.414 0.000 2.153 218 R HA -0.140 nan 4.340 nan 0.000 0.218 218 R C 1.774 177.897 176.300 -0.296 0.000 1.072 218 R CA 1.578 57.450 56.100 -0.380 0.000 0.990 218 R CB 0.133 30.155 30.300 -0.464 0.000 0.889 218 R HN -0.051 7.917 8.270 -0.504 0.000 0.452 219 M N -2.625 116.763 119.600 -0.353 0.000 2.431 219 M HA 0.102 nan 4.480 nan 0.000 0.237 219 M C -1.160 174.774 176.300 -0.610 0.000 1.130 219 M CA -1.149 53.871 55.300 -0.467 0.000 1.002 219 M CB -0.051 32.203 32.600 -0.575 0.000 1.524 219 M HN -0.283 7.673 8.290 -0.374 0.110 0.482 220 K N -4.697 115.502 120.400 -0.335 0.000 3.125 220 K HA -0.415 nan 4.320 nan 0.000 0.268 220 K C -0.960 175.641 176.600 0.002 0.000 1.078 220 K CA 0.924 57.124 56.287 -0.146 0.000 0.775 220 K CB -2.395 30.049 32.500 -0.093 0.000 1.253 220 K HN -0.408 7.472 8.250 -0.287 0.199 0.486 221 Y N -2.743 117.592 120.300 0.059 0.000 2.420 221 Y HA 0.104 nan 4.550 nan 0.000 0.334 221 Y C -0.453 175.486 175.900 0.064 0.000 1.094 221 Y CA -2.547 55.605 58.100 0.087 0.000 1.126 221 Y CB 1.349 39.905 38.460 0.160 0.000 1.217 221 Y HN 0.077 8.214 8.280 -0.039 0.120 0.462 222 D N 1.126 121.667 120.400 0.236 0.000 2.210 222 D HA 0.272 nan 4.640 nan 0.000 0.249 222 D C -0.317 176.085 176.300 0.170 0.000 1.062 222 D CA -3.387 50.704 54.000 0.152 0.000 0.891 222 D CB 2.407 43.270 40.800 0.106 0.000 1.186 222 D HN 0.061 8.578 8.370 0.245 0.000 0.432 223 P HA -0.058 nan 4.420 nan 0.000 0.237 223 P C 0.138 177.521 177.300 0.138 0.000 1.178 223 P CA 1.175 64.373 63.100 0.164 0.000 0.766 223 P CB 0.192 31.972 31.700 0.134 0.000 0.876 224 K N -1.827 118.641 120.400 0.113 0.000 2.418 224 K HA -0.133 nan 4.320 nan 0.000 0.195 224 K C 1.095 177.755 176.600 0.100 0.000 1.035 224 K CA 1.857 58.205 56.287 0.101 0.000 1.003 224 K CB -0.549 32.001 32.500 0.082 0.000 0.793 224 K HN -0.708 7.710 8.250 0.108 -0.103 0.494 225 Q N -2.603 117.252 119.800 0.092 0.000 2.172 225 Q HA 0.163 nan 4.340 nan 0.000 0.217 225 Q C -1.831 174.181 176.000 0.020 0.000 0.832 225 Q CA -0.955 54.875 55.803 0.045 0.000 1.010 225 Q CB 0.859 29.607 28.738 0.016 0.000 1.133 225 Q HN -0.176 7.984 8.270 0.111 0.177 0.489 226 V N 1.178 121.155 119.914 0.105 0.000 2.364 226 V HA 0.144 nan 4.120 nan 0.000 0.272 226 V C -0.946 175.251 176.094 0.173 0.000 1.036 226 V CA -0.591 61.789 62.300 0.134 0.000 0.880 226 V CB 0.071 32.041 31.823 0.245 0.000 0.991 226 V HN -0.658 7.440 8.190 0.131 0.171 0.460 227 Y N 10.293 130.597 120.300 0.007 0.000 2.691 227 Y HA 0.154 nan 4.550 nan 0.000 0.338 227 Y C -0.922 174.968 175.900 -0.017 0.000 1.148 227 Y CA -2.332 55.778 58.100 0.017 0.000 1.430 227 Y CB -0.124 38.354 38.460 0.030 0.000 1.303 227 Y HN 1.186 9.472 8.280 0.201 0.114 0.499 228 T N 7.713 122.191 114.554 -0.127 0.000 2.695 228 T HA -0.214 nan 4.350 nan 0.000 0.264 228 T C -0.478 173.968 174.700 -0.423 0.000 0.993 228 T CA 1.005 62.983 62.100 -0.203 0.000 1.248 228 T CB -1.724 67.076 68.868 -0.113 0.000 0.946 228 T HN -0.006 8.189 8.240 -0.035 0.024 0.526 229 V N 8.351 128.005 119.914 -0.433 0.000 2.162 229 V HA 0.140 nan 4.120 nan 0.000 0.255 229 V C -0.308 175.531 176.094 -0.426 0.000 1.304 229 V CA -1.284 60.705 62.300 -0.519 0.000 1.198 229 V CB -1.511 30.002 31.823 -0.517 0.000 1.333 229 V HN 1.121 8.981 8.190 -0.344 0.124 0.493 230 S N 8.036 123.498 115.700 -0.397 0.000 2.466 230 S HA 0.048 nan 4.470 nan 0.000 0.286 230 S C -0.890 173.542 174.600 -0.281 0.000 1.221 230 S CA 0.693 58.715 58.200 -0.297 0.000 1.091 230 S CB -0.230 62.805 63.200 -0.275 0.000 0.956 230 S HN -0.195 7.810 8.310 -0.441 0.041 0.501 231 I N 8.433 128.876 120.570 -0.212 0.000 2.337 231 I HA 0.409 nan 4.170 nan 0.000 0.285 231 I C -1.766 174.290 176.117 -0.101 0.000 1.041 231 I CA -0.410 60.794 61.300 -0.161 0.000 1.199 231 I CB 0.277 38.186 38.000 -0.152 0.000 1.370 231 I HN 0.905 8.883 8.210 -0.195 0.116 0.470 232 M N 7.705 127.254 119.600 -0.085 0.000 2.518 232 M HA 0.503 nan 4.480 nan 0.000 0.300 232 M C -2.456 173.831 176.300 -0.021 0.000 1.175 232 M CA -3.884 51.388 55.300 -0.046 0.000 0.890 232 M CB 1.464 34.032 32.600 -0.053 0.000 1.710 232 M HN 0.569 8.800 8.290 -0.097 0.000 0.453 233 P HA 0.144 nan 4.420 nan 0.000 0.252 233 P C -1.686 175.613 177.300 -0.002 0.000 1.218 233 P CA 0.458 63.556 63.100 -0.004 0.000 0.807 233 P CB 0.773 32.471 31.700 -0.003 0.000 1.072 234 C N -2.764 116.545 119.300 0.015 0.000 2.431 234 C HA 0.459 nan 4.460 nan 0.000 0.321 234 C C 0.156 175.178 174.990 0.052 0.000 1.202 234 C CA -1.829 57.207 59.018 0.030 0.000 1.398 234 C CB 1.639 29.407 27.740 0.047 0.000 2.047 234 C HN -0.613 7.534 8.230 0.015 0.092 0.465 235 I N 5.363 125.970 120.570 0.062 0.000 2.761 235 I HA -0.239 nan 4.170 nan 0.000 0.261 235 I C 0.759 176.953 176.117 0.129 0.000 1.198 235 I CA 2.291 63.649 61.300 0.096 0.000 1.482 235 I CB -0.046 38.007 38.000 0.087 0.000 1.100 235 I HN 0.259 8.496 8.210 0.044 0.000 0.445 236 A N 0.316 123.204 122.820 0.113 0.000 1.972 236 A HA -0.279 nan 4.320 nan 0.000 0.219 236 A C 1.412 179.088 177.584 0.153 0.000 1.169 236 A CA 3.565 55.697 52.037 0.159 0.000 0.635 236 A CB -0.882 18.201 19.000 0.138 0.000 0.810 236 A HN 0.289 8.475 8.150 0.083 0.013 0.446 237 K N -3.417 117.047 120.400 0.107 0.000 2.305 237 K HA -0.171 nan 4.320 nan 0.000 0.199 237 K C 1.880 178.513 176.600 0.054 0.000 1.047 237 K CA 2.222 58.551 56.287 0.071 0.000 0.976 237 K CB -0.049 32.480 32.500 0.048 0.000 0.765 237 K HN -0.405 7.744 8.250 0.092 0.156 0.474 238 K N -0.672 119.778 120.400 0.085 0.000 2.001 238 K HA -0.242 nan 4.320 nan 0.000 0.208 238 K C 2.497 179.217 176.600 0.200 0.000 1.048 238 K CA 3.038 59.382 56.287 0.096 0.000 0.932 238 K CB 0.114 32.707 32.500 0.155 0.000 0.715 238 K HN -0.679 7.508 8.250 0.102 0.124 0.437 239 Y N 0.481 120.835 120.300 0.089 0.000 2.352 239 Y HA -0.303 nan 4.550 nan 0.000 0.292 239 Y C 1.923 177.862 175.900 0.066 0.000 1.136 239 Y CA 0.807 58.967 58.100 0.100 0.000 1.227 239 Y CB -0.283 38.220 38.460 0.070 0.000 0.991 239 Y HN 0.392 8.758 8.280 0.328 0.111 0.545 240 E N 0.337 120.545 120.200 0.014 0.000 2.171 240 E HA -0.395 nan 4.350 nan 0.000 0.197 240 E C 2.775 179.337 176.600 -0.063 0.000 0.997 240 E CA 2.853 59.217 56.400 -0.061 0.000 0.810 240 E CB -0.448 29.254 29.700 0.003 0.000 0.738 240 E HN 0.029 8.339 8.360 0.113 0.118 0.467 241 G N -2.621 106.172 108.800 -0.012 0.000 2.471 241 G HA2 -0.156 nan 3.960 nan 0.000 0.219 241 G HA3 -0.156 nan 3.960 nan 0.000 0.219 241 G C 0.237 175.141 174.900 0.007 0.000 1.125 241 G CA 1.263 46.364 45.100 0.001 0.000 0.775 241 G HN -0.226 7.929 8.290 0.030 0.153 0.548 242 L N -2.077 119.136 121.223 -0.015 0.000 2.965 242 L HA 0.218 nan 4.340 nan 0.000 0.254 242 L C -1.195 175.574 176.870 -0.169 0.000 1.220 242 L CA -1.168 53.661 54.840 -0.017 0.000 1.023 242 L CB -0.217 41.910 42.059 0.113 0.000 1.355 242 L HN -0.441 7.573 8.230 -0.051 0.184 0.545 243 R N -1.069 119.306 120.500 -0.209 0.000 2.664 243 R HA 0.287 nan 4.340 nan 0.000 0.286 243 R C -1.765 174.464 176.300 -0.117 0.000 0.967 243 R CA -2.782 53.178 56.100 -0.234 0.000 0.933 243 R CB 0.572 30.686 30.300 -0.309 0.000 1.146 243 R HN -0.730 7.299 8.270 -0.138 0.158 0.468 244 P HA -0.200 nan 4.420 nan 0.000 0.223 244 P C 0.539 177.813 177.300 -0.044 0.000 1.144 244 P CA 2.215 65.283 63.100 -0.054 0.000 0.783 244 P CB -0.234 31.438 31.700 -0.047 0.000 0.771 245 E N -1.309 118.859 120.200 -0.052 0.000 2.153 245 E HA -0.239 nan 4.350 nan 0.000 0.194 245 E C 0.714 177.294 176.600 -0.034 0.000 0.988 245 E CA 2.529 58.906 56.400 -0.039 0.000 0.811 245 E CB -0.794 28.884 29.700 -0.038 0.000 0.746 245 E HN 0.413 8.658 8.360 -0.072 0.072 0.466 246 L N -1.554 119.648 121.223 -0.036 0.000 3.141 246 L HA 0.270 nan 4.340 nan 0.000 0.267 246 L C -1.786 175.077 176.870 -0.012 0.000 1.281 246 L CA -0.846 53.979 54.840 -0.025 0.000 1.037 246 L CB -0.248 41.795 42.059 -0.027 0.000 1.407 246 L HN 0.197 8.267 8.230 -0.048 0.131 0.566 247 K N -1.530 118.864 120.400 -0.012 0.000 2.440 247 K HA 0.182 nan 4.320 nan 0.000 0.206 247 K C 1.100 177.702 176.600 0.002 0.000 1.025 247 K CA 0.236 56.523 56.287 0.001 0.000 1.135 247 K CB -0.429 32.071 32.500 -0.000 0.000 0.856 247 K HN -0.721 7.448 8.250 -0.018 0.069 0.502 248 S N 2.604 118.301 115.700 -0.004 0.000 2.370 248 S HA -0.250 nan 4.470 nan 0.000 0.226 248 S C 0.918 175.519 174.600 0.002 0.000 1.033 248 S CA 2.852 61.048 58.200 -0.006 0.000 1.011 248 S CB -0.718 62.473 63.200 -0.015 0.000 0.852 248 S HN 0.463 8.694 8.310 -0.009 0.074 0.457 249 S N 0.227 115.933 115.700 0.011 0.000 2.650 249 S HA 0.048 nan 4.470 nan 0.000 0.219 249 S C 0.227 174.844 174.600 0.027 0.000 0.960 249 S CA 0.078 58.291 58.200 0.022 0.000 0.925 249 S CB -0.019 63.200 63.200 0.032 0.000 0.775 249 S HN -0.170 8.146 8.310 0.010 0.000 0.525 250 G N 1.109 109.921 108.800 0.021 0.000 2.131 250 G HA2 -0.303 nan 3.960 nan 0.000 0.223 250 G HA3 -0.303 nan 3.960 nan 0.000 0.223 250 G C -2.009 172.909 174.900 0.029 0.000 0.990 250 G CA 0.286 45.399 45.100 0.022 0.000 0.671 250 G HN 0.123 8.214 8.290 0.015 0.208 0.521 251 M N -5.637 113.982 119.600 0.032 0.000 2.605 251 M HA 0.144 nan 4.480 nan 0.000 0.281 251 M C -2.507 173.815 176.300 0.037 0.000 1.166 251 M CA -1.187 54.137 55.300 0.040 0.000 0.875 251 M CB 2.137 34.769 32.600 0.052 0.000 1.732 251 M HN -1.043 7.224 8.290 0.028 0.039 0.504 252 R N -0.049 120.475 120.500 0.042 0.000 2.357 252 R HA 0.054 nan 4.340 nan 0.000 0.296 252 R C -0.182 176.144 176.300 0.044 0.000 1.052 252 R CA 0.250 56.372 56.100 0.037 0.000 0.988 252 R CB 1.280 31.605 30.300 0.042 0.000 1.025 252 R HN 0.359 8.659 8.270 0.051 0.000 0.469 253 D N 3.388 123.806 120.400 0.029 0.000 2.146 253 D HA -0.080 nan 4.640 nan 0.000 0.209 253 D C 2.191 178.496 176.300 0.008 0.000 0.973 253 D CA 2.986 57.001 54.000 0.026 0.000 0.860 253 D CB 0.516 41.322 40.800 0.009 0.000 1.015 253 D HN 0.086 8.466 8.370 0.017 0.000 0.465 254 I N -0.377 120.187 120.570 -0.010 0.000 3.256 254 I HA -0.732 nan 4.170 nan 0.000 0.193 254 I C 1.572 177.607 176.117 -0.137 0.000 0.822 254 I CA 2.505 63.769 61.300 -0.061 0.000 1.104 254 I CB -0.059 37.941 38.000 0.000 0.000 0.853 254 I HN -0.316 7.886 8.210 -0.013 0.000 0.331 255 D N -0.115 120.255 120.400 -0.050 0.000 4.508 255 D HA -0.349 4.421 4.640 0.217 0.000 0.178 255 D C -0.656 175.489 176.300 -0.259 0.000 0.644 255 D CA 1.493 55.464 54.000 -0.049 0.000 1.244 255 D CB -0.893 39.844 40.800 -0.104 0.000 0.727 255 D HN -0.150 nan 8.370 nan 0.000 0.495 256 A N -0.349 121.983 122.820 -0.813 0.000 2.304 256 A HA 0.221 nan 4.320 nan 0.000 0.271 256 A C -1.559 175.242 177.584 -1.304 0.000 1.091 256 A CA 0.417 51.732 52.037 -1.204 0.000 0.812 256 A CB 1.221 19.585 19.000 -1.059 0.000 1.056 256 A HN 0.275 7.828 8.150 -0.796 0.119 0.489 257 T N -0.138 113.250 114.554 -1.943 0.000 2.909 257 T HA 0.690 nan 4.350 nan 0.000 0.299 257 T C -1.747 172.538 174.700 -0.691 0.000 1.073 257 T CA -0.460 60.967 62.100 -1.123 0.000 0.999 257 T CB 2.516 70.746 68.868 -1.064 0.000 1.098 257 T HN 0.129 6.704 8.240 -2.775 0.000 0.477 258 L N 1.757 122.779 121.223 -0.334 0.000 2.388 258 L HA 0.598 nan 4.340 nan 0.000 0.264 258 L C -1.194 175.635 176.870 -0.068 0.000 0.998 258 L CA -1.786 52.988 54.840 -0.111 0.000 0.817 258 L CB 4.413 46.434 42.059 -0.064 0.000 1.338 258 L HN 0.791 8.828 8.230 -0.322 0.000 0.414 259 T N -3.193 111.367 114.554 0.011 0.000 2.899 259 T HA 0.257 nan 4.350 nan 0.000 0.284 259 T C 1.679 176.397 174.700 0.031 0.000 1.004 259 T CA -0.658 61.453 62.100 0.018 0.000 1.043 259 T CB 1.558 70.451 68.868 0.043 0.000 1.013 259 T HN -0.413 7.860 8.240 0.055 0.000 0.518 260 T N 2.384 116.952 114.554 0.024 0.000 2.788 260 T HA -0.340 nan 4.350 nan 0.000 0.268 260 T C 1.618 176.368 174.700 0.083 0.000 1.044 260 T CA 4.272 66.393 62.100 0.036 0.000 1.139 260 T CB -0.497 68.378 68.868 0.012 0.000 0.867 260 T HN 0.729 8.974 8.240 0.010 0.000 0.454 261 R N 1.218 121.770 120.500 0.085 0.000 2.105 261 R HA -0.407 nan 4.340 nan 0.000 0.239 261 R C 1.988 178.396 176.300 0.181 0.000 1.135 261 R CA 3.785 59.962 56.100 0.128 0.000 0.967 261 R CB -0.121 30.222 30.300 0.071 0.000 0.861 261 R HN 0.206 8.509 8.270 0.054 0.000 0.442 262 E N -1.427 118.863 120.200 0.150 0.000 2.112 262 E HA -0.221 nan 4.350 nan 0.000 0.190 262 E C 2.442 179.189 176.600 0.245 0.000 0.979 262 E CA 2.268 58.788 56.400 0.199 0.000 0.814 262 E CB -0.485 29.309 29.700 0.157 0.000 0.762 262 E HN -0.561 7.742 8.360 0.110 0.123 0.460 263 L N 0.431 121.763 121.223 0.182 0.000 2.027 263 L HA -0.290 nan 4.340 nan 0.000 0.206 263 L C 1.504 178.507 176.870 0.222 0.000 1.074 263 L CA 3.170 58.116 54.840 0.177 0.000 0.745 263 L CB -0.485 41.641 42.059 0.111 0.000 0.898 263 L HN -0.380 7.932 8.230 0.137 0.000 0.433 264 A N -1.230 121.747 122.820 0.260 0.000 1.969 264 A HA -0.306 nan 4.320 nan 0.000 0.218 264 A C 1.720 179.528 177.584 0.374 0.000 1.169 264 A CA 3.032 55.260 52.037 0.317 0.000 0.635 264 A CB -1.067 18.132 19.000 0.331 0.000 0.810 264 A HN 0.557 8.731 8.150 0.222 0.109 0.445 265 Y N -0.332 120.124 120.300 0.259 0.000 2.242 265 Y HA -0.366 nan 4.550 nan 0.000 0.291 265 Y C 1.853 177.851 175.900 0.163 0.000 1.137 265 Y CA 3.405 61.650 58.100 0.243 0.000 1.181 265 Y CB -0.026 38.545 38.460 0.185 0.000 0.989 265 Y HN -0.030 8.352 8.280 0.472 0.182 0.527 266 M N -0.872 118.828 119.600 0.167 0.000 2.132 266 M HA -0.465 nan 4.480 nan 0.000 0.263 266 M C 2.281 178.569 176.300 -0.020 0.000 1.065 266 M CA 4.275 59.603 55.300 0.048 0.000 1.122 266 M CB 0.205 32.883 32.600 0.130 0.000 1.365 266 M HN -0.445 7.910 8.290 0.274 0.099 0.411 267 I N -0.809 119.752 120.570 -0.016 0.000 2.394 267 I HA -0.550 nan 4.170 nan 0.000 0.251 267 I C 1.458 177.456 176.117 -0.197 0.000 1.136 267 I CA 3.800 64.999 61.300 -0.169 0.000 1.425 267 I CB -0.497 37.325 38.000 -0.297 0.000 1.079 267 I HN 0.279 8.464 8.210 0.067 0.066 0.425 268 K N 0.592 120.955 120.400 -0.061 0.000 2.063 268 K HA -0.343 nan 4.320 nan 0.000 0.208 268 K C 2.828 179.415 176.600 -0.021 0.000 1.048 268 K CA 3.569 59.916 56.287 0.100 0.000 0.928 268 K CB -0.245 32.472 32.500 0.362 0.000 0.713 268 K HN 0.453 8.598 8.250 0.020 0.117 0.442 269 K N -2.691 117.641 120.400 -0.113 0.000 2.432 269 K HA -0.094 nan 4.320 nan 0.000 0.196 269 K C 0.591 177.133 176.600 -0.096 0.000 1.038 269 K CA 1.343 57.551 56.287 -0.132 0.000 0.986 269 K CB -0.526 31.858 32.500 -0.193 0.000 0.782 269 K HN -0.444 7.630 8.250 -0.139 0.092 0.485 270 A N -2.910 119.848 122.820 -0.102 0.000 2.308 270 A HA 0.174 nan 4.320 nan 0.000 0.217 270 A C -0.090 177.434 177.584 -0.100 0.000 1.216 270 A CA -0.226 51.748 52.037 -0.105 0.000 0.864 270 A CB 0.137 19.061 19.000 -0.127 0.000 0.902 270 A HN -0.454 7.440 8.150 -0.113 0.189 0.499 271 G N -2.201 106.549 108.800 -0.083 0.000 2.157 271 G HA2 -0.344 nan 3.960 nan 0.000 0.239 271 G HA3 -0.344 nan 3.960 nan 0.000 0.239 271 G C -0.360 174.495 174.900 -0.075 0.000 0.982 271 G CA -0.054 45.015 45.100 -0.052 0.000 0.650 271 G HN -0.255 7.781 8.290 -0.072 0.211 0.527 272 I N 1.309 121.775 120.570 -0.172 0.000 2.241 272 I HA -0.124 nan 4.170 nan 0.000 0.294 272 I C -1.205 174.713 176.117 -0.331 0.000 1.145 272 I CA -0.811 60.315 61.300 -0.291 0.000 1.261 272 I CB -1.117 36.615 38.000 -0.447 0.000 1.475 272 I HN -0.279 7.768 8.210 -0.194 0.046 0.533 273 D N 6.598 126.980 120.400 -0.031 0.000 2.412 273 D HA -0.171 nan 4.640 nan 0.000 0.257 273 D C 0.748 177.107 176.300 0.097 0.000 1.217 273 D CA 0.570 54.688 54.000 0.196 0.000 0.897 273 D CB 0.752 41.691 40.800 0.232 0.000 1.132 273 D HN -0.381 7.941 8.370 -0.015 0.039 0.493 274 F N 6.731 126.682 119.950 0.000 0.000 2.171 274 F HA -0.356 nan 4.527 nan 0.000 0.300 274 F C 0.922 176.736 175.800 0.023 0.000 1.090 274 F CA 3.426 61.401 58.000 -0.041 0.000 1.293 274 F CB 0.022 38.979 39.000 -0.071 0.000 1.013 274 F HN 0.110 8.714 8.300 0.507 0.000 0.486 275 A N -3.019 119.958 122.820 0.263 0.000 2.252 275 A HA -0.117 nan 4.320 nan 0.000 0.207 275 A C 0.550 178.200 177.584 0.110 0.000 1.194 275 A CA 1.632 53.770 52.037 0.170 0.000 0.809 275 A CB -1.349 17.747 19.000 0.159 0.000 0.814 275 A HN -0.390 7.948 8.150 0.330 0.010 0.482 276 K N -2.563 117.890 120.400 0.089 0.000 2.365 276 K HA -0.034 nan 4.320 nan 0.000 0.197 276 K C -0.037 176.586 176.600 0.039 0.000 1.042 276 K CA 0.136 56.453 56.287 0.051 0.000 0.987 276 K CB 0.358 32.874 32.500 0.028 0.000 0.779 276 K HN -0.446 7.746 8.250 0.097 0.116 0.484 277 L N 0.447 121.699 121.223 0.049 0.000 2.325 277 L HA 0.378 nan 4.340 nan 0.000 0.278 277 L C -1.451 175.461 176.870 0.069 0.000 1.023 277 L CA -2.809 52.059 54.840 0.046 0.000 0.811 277 L CB 0.585 42.666 42.059 0.036 0.000 1.249 277 L HN -0.291 7.816 8.230 0.076 0.169 0.431 278 P HA 0.037 nan 4.420 nan 0.000 0.226 278 P C -1.494 175.847 177.300 0.069 0.000 1.161 278 P CA 1.110 64.248 63.100 0.063 0.000 0.804 278 P CB 1.226 32.955 31.700 0.048 0.000 0.829 279 D N -6.488 113.946 120.400 0.058 0.000 2.912 279 D HA -0.028 nan 4.640 nan 0.000 0.263 279 D C -1.839 174.483 176.300 0.037 0.000 1.152 279 D CA -0.611 53.419 54.000 0.050 0.000 0.728 279 D CB 3.210 44.036 40.800 0.044 0.000 1.337 279 D HN -0.677 7.695 8.370 0.049 0.027 0.435 280 G N -0.577 108.240 108.800 0.028 0.000 2.535 280 G HA2 0.185 nan 3.960 nan 0.000 0.200 280 G HA3 0.185 nan 3.960 nan 0.000 0.200 280 G C -1.742 173.169 174.900 0.018 0.000 1.388 280 G CA 0.328 45.439 45.100 0.018 0.000 0.720 280 G HN 0.690 8.882 8.290 0.029 0.115 0.598 281 K N -0.267 120.144 120.400 0.019 0.000 2.597 281 K HA 0.335 nan 4.320 nan 0.000 0.282 281 K C -2.759 173.854 176.600 0.022 0.000 0.975 281 K CA -0.500 55.800 56.287 0.021 0.000 0.867 281 K CB 2.875 35.388 32.500 0.022 0.000 1.465 281 K HN -0.559 7.702 8.250 0.018 0.000 0.417 282 R N -0.431 120.083 120.500 0.024 0.000 2.854 282 R HA 0.622 nan 4.340 nan 0.000 0.271 282 R C -1.434 174.892 176.300 0.042 0.000 0.996 282 R CA -1.957 54.160 56.100 0.028 0.000 0.961 282 R CB 2.771 33.079 30.300 0.013 0.000 1.182 282 R HN 0.408 8.694 8.270 0.026 0.000 0.479 283 D N 0.720 121.155 120.400 0.059 0.000 2.540 283 D HA 0.237 nan 4.640 nan 0.000 0.251 283 D C 0.384 176.734 176.300 0.083 0.000 1.159 283 D CA -1.446 52.600 54.000 0.077 0.000 0.974 283 D CB -0.375 40.489 40.800 0.106 0.000 0.996 283 D HN 0.065 8.471 8.370 0.060 0.000 0.512 284 S N 5.067 120.805 115.700 0.063 0.000 3.110 284 S HA -0.200 nan 4.470 nan 0.000 0.253 284 S C 0.012 174.633 174.600 0.036 0.000 1.074 284 S CA 0.348 58.582 58.200 0.057 0.000 1.201 284 S CB -0.941 62.287 63.200 0.047 0.000 0.889 284 S HN 0.087 8.388 8.310 0.052 0.040 0.490 285 L N 1.677 122.933 121.223 0.056 0.000 2.044 285 L HA -0.169 nan 4.340 nan 0.000 0.205 285 L C -0.392 176.459 176.870 -0.030 0.000 1.075 285 L CA 1.750 56.611 54.840 0.035 0.000 0.747 285 L CB 0.836 42.951 42.059 0.094 0.000 0.903 285 L HN -0.109 8.035 8.230 0.089 0.139 0.435 286 M N 0.233 119.835 119.600 0.003 0.000 2.085 286 M HA 0.122 nan 4.480 nan 0.000 0.309 286 M C -1.736 174.575 176.300 0.018 0.000 0.947 286 M CA -0.409 54.807 55.300 -0.140 0.000 0.918 286 M CB 1.089 33.597 32.600 -0.153 0.000 1.504 286 M HN -0.631 7.719 8.290 0.100 0.000 0.420 287 G N 3.484 112.242 108.800 -0.070 0.000 2.565 287 G HA2 -0.237 nan 3.960 nan 0.000 0.156 287 G HA3 -0.237 nan 3.960 nan 0.000 0.156 287 G C -2.277 172.703 174.900 0.133 0.000 1.074 287 G CA -0.644 44.609 45.100 0.255 0.000 0.804 287 G HN 0.279 8.346 8.290 -0.372 0.000 0.496 288 E N -0.128 120.110 120.200 0.063 0.000 2.498 288 E HA -0.168 nan 4.350 nan 0.000 0.252 288 E C -0.387 176.282 176.600 0.116 0.000 1.025 288 E CA -0.242 56.196 56.400 0.064 0.000 0.938 288 E CB 0.162 29.882 29.700 0.033 0.000 0.947 288 E HN -0.132 8.196 8.360 -0.052 0.000 0.478 289 S N 7.122 122.876 115.700 0.091 0.000 2.509 289 S HA -0.055 nan 4.470 nan 0.000 0.287 289 S C -0.252 174.413 174.600 0.108 0.000 1.248 289 S CA 1.187 59.441 58.200 0.089 0.000 1.089 289 S CB -0.106 63.131 63.200 0.061 0.000 0.900 289 S HN 0.258 8.610 8.310 0.070 0.000 0.496 290 T N 6.632 121.264 114.554 0.130 0.000 2.885 290 T HA 0.297 nan 4.350 nan 0.000 0.285 290 T C 0.391 175.186 174.700 0.157 0.000 1.019 290 T CA -0.573 61.620 62.100 0.155 0.000 1.010 290 T CB 2.959 71.941 68.868 0.190 0.000 1.022 290 T HN -0.460 7.856 8.240 0.126 0.000 0.466 291 G N 3.498 112.395 108.800 0.161 0.000 2.484 291 G HA2 -0.266 nan 3.960 nan 0.000 0.215 291 G HA3 -0.266 nan 3.960 nan 0.000 0.215 291 G C 0.317 175.341 174.900 0.207 0.000 1.219 291 G CA 2.273 47.472 45.100 0.164 0.000 0.791 291 G HN 0.558 8.943 8.290 0.159 0.000 0.550 292 G N -1.260 107.687 108.800 0.245 0.000 3.471 292 G HA2 -0.077 nan 3.960 nan 0.000 0.254 292 G HA3 -0.077 nan 3.960 nan 0.000 0.254 292 G C -1.796 173.242 174.900 0.230 0.000 1.199 292 G CA -0.381 44.870 45.100 0.253 0.000 1.683 292 G HN 0.113 8.563 8.290 0.266 0.000 0.625 293 A N -0.113 122.831 122.820 0.206 0.000 2.405 293 A HA 0.136 nan 4.320 nan 0.000 0.224 293 A C -0.965 176.711 177.584 0.155 0.000 1.245 293 A CA 0.593 52.730 52.037 0.167 0.000 1.203 293 A CB 1.300 20.384 19.000 0.140 0.000 1.108 293 A HN -0.310 7.839 8.150 0.206 0.125 0.451 294 T N 1.072 115.743 114.554 0.195 0.000 3.504 294 T HA 0.380 nan 4.350 nan 0.000 0.286 294 T C -0.782 174.137 174.700 0.366 0.000 1.530 294 T CA 0.396 62.631 62.100 0.225 0.000 1.652 294 T CB -0.510 68.449 68.868 0.152 0.000 0.895 294 T HN -0.269 8.103 8.240 0.221 0.000 0.674 295 I N -3.841 116.916 120.570 0.312 0.000 5.143 295 I HA 0.150 nan 4.170 nan 0.000 0.390 295 I C -0.721 175.539 176.117 0.238 0.000 1.080 295 I CA 0.717 62.166 61.300 0.248 0.000 1.551 295 I CB 1.005 39.113 38.000 0.181 0.000 2.242 295 I HN -0.369 8.018 8.210 0.296 0.000 0.724 296 F N 3.411 123.420 119.950 0.099 0.000 2.161 296 F HA -0.193 nan 4.527 nan 0.000 0.300 296 F C 1.368 177.207 175.800 0.065 0.000 1.089 296 F CA 2.651 60.694 58.000 0.072 0.000 1.282 296 F CB -0.229 38.808 39.000 0.062 0.000 1.010 296 F HN -0.258 8.272 8.300 0.384 0.000 0.485 297 G N -1.382 107.546 108.800 0.214 0.000 3.392 297 G HA2 -0.060 nan 3.960 nan 0.000 0.247 297 G HA3 -0.060 nan 3.960 nan 0.000 0.247 297 G C -2.149 172.765 174.900 0.023 0.000 1.161 297 G CA -0.484 44.683 45.100 0.112 0.000 1.739 297 G HN 0.054 8.536 8.290 0.321 0.000 0.619 298 V N 0.291 120.186 119.914 -0.032 0.000 3.000 298 V HA 0.504 nan 4.120 nan 0.000 0.300 298 V C -1.991 174.060 176.094 -0.072 0.000 1.251 298 V CA -1.030 61.241 62.300 -0.049 0.000 0.972 298 V CB 4.063 35.864 31.823 -0.037 0.000 1.065 298 V HN -0.011 8.022 8.190 -0.068 0.116 0.431 299 T N 9.749 124.271 114.554 -0.053 0.000 2.870 299 T HA 0.188 nan 4.350 nan 0.000 0.300 299 T C -0.214 174.477 174.700 -0.016 0.000 0.989 299 T CA 1.024 63.109 62.100 -0.025 0.000 1.139 299 T CB -0.400 68.504 68.868 0.061 0.000 0.920 299 T HN 0.440 8.534 8.240 -0.050 0.116 0.537 300 G N 4.976 113.757 108.800 -0.032 0.000 2.964 300 G HA2 -0.277 nan 3.960 nan 0.000 0.229 300 G HA3 -0.277 nan 3.960 nan 0.000 0.229 300 G C -0.509 174.370 174.900 -0.035 0.000 1.395 300 G CA -0.018 45.069 45.100 -0.022 0.000 1.060 300 G HN -0.428 7.986 8.290 -0.051 -0.154 0.568 301 G N 2.226 111.017 108.800 -0.014 0.000 3.284 301 G HA2 -0.640 nan 3.960 nan 0.000 0.351 301 G HA3 -0.640 nan 3.960 nan 0.000 0.351 301 G C 0.846 175.733 174.900 -0.021 0.000 1.232 301 G CA 1.719 46.813 45.100 -0.009 0.000 1.001 301 G HN -0.041 8.251 8.290 0.003 0.000 0.639 302 V N 3.779 123.606 119.914 -0.146 0.000 2.250 302 V HA -0.499 nan 4.120 nan 0.000 0.253 302 V C 1.982 178.022 176.094 -0.090 0.000 1.065 302 V CA 4.251 66.409 62.300 -0.236 0.000 1.039 302 V CB -0.433 31.127 31.823 -0.438 0.000 0.647 302 V HN -0.487 7.580 8.190 -0.206 0.000 0.446 303 M N -2.534 117.018 119.600 -0.081 0.000 2.388 303 M HA -0.141 nan 4.480 nan 0.000 0.265 303 M C 1.522 177.715 176.300 -0.179 0.000 1.088 303 M CA 1.958 57.189 55.300 -0.115 0.000 1.134 303 M CB -0.325 32.243 32.600 -0.053 0.000 1.384 303 M HN 0.413 8.645 8.290 -0.073 0.015 0.447 304 E N 0.800 120.932 120.200 -0.114 0.000 2.072 304 E HA -0.332 nan 4.350 nan 0.000 0.190 304 E C 1.885 178.402 176.600 -0.138 0.000 0.982 304 E CA 3.236 59.557 56.400 -0.132 0.000 0.803 304 E CB 0.004 29.733 29.700 0.048 0.000 0.755 304 E HN -0.365 7.795 8.360 -0.059 0.164 0.453 305 A N -1.005 121.812 122.820 -0.005 0.000 1.930 305 A HA -0.202 nan 4.320 nan 0.000 0.217 305 A C 1.966 179.557 177.584 0.012 0.000 1.175 305 A CA 2.966 55.049 52.037 0.076 0.000 0.627 305 A CB -0.821 18.286 19.000 0.178 0.000 0.815 305 A HN 0.544 8.599 8.150 0.024 0.109 0.443 306 A N -1.369 121.402 122.820 -0.082 0.000 1.933 306 A HA -0.263 nan 4.320 nan 0.000 0.218 306 A C 1.945 179.432 177.584 -0.161 0.000 1.175 306 A CA 2.958 54.905 52.037 -0.150 0.000 0.628 306 A CB -0.780 18.017 19.000 -0.339 0.000 0.814 306 A HN 0.226 8.215 8.150 -0.082 0.111 0.444 307 L N -2.293 118.719 121.223 -0.351 0.000 2.093 307 L HA -0.426 nan 4.340 nan 0.000 0.208 307 L C 2.545 179.112 176.870 -0.505 0.000 1.085 307 L CA 3.004 57.501 54.840 -0.572 0.000 0.755 307 L CB -0.374 40.918 42.059 -1.280 0.000 0.904 307 L HN 0.215 8.027 8.230 -0.384 0.188 0.435 308 R N -1.728 118.552 120.500 -0.366 0.000 2.120 308 R HA -0.337 nan 4.340 nan 0.000 0.234 308 R C 1.843 178.125 176.300 -0.031 0.000 1.123 308 R CA 3.395 59.438 56.100 -0.095 0.000 0.975 308 R CB -0.190 30.200 30.300 0.150 0.000 0.866 308 R HN -0.090 7.889 8.270 -0.360 0.075 0.446 309 F N -0.073 119.809 119.950 -0.113 0.000 2.037 309 F HA -0.209 nan 4.527 nan 0.000 0.291 309 F C 1.269 177.017 175.800 -0.086 0.000 1.137 309 F CA 3.184 61.110 58.000 -0.123 0.000 1.178 309 F CB 0.374 39.292 39.000 -0.137 0.000 0.995 309 F HN -0.410 7.870 8.300 0.131 0.099 0.472 310 A N -1.689 121.260 122.820 0.215 0.000 2.016 310 A HA -0.181 nan 4.320 nan 0.000 0.217 310 A C 1.136 178.813 177.584 0.156 0.000 1.162 310 A CA 2.627 54.812 52.037 0.246 0.000 0.662 310 A CB -0.740 18.509 19.000 0.414 0.000 0.812 310 A HN 0.875 9.059 8.150 0.244 0.113 0.450 311 Y N -2.313 117.965 120.300 -0.037 0.000 2.519 311 Y HA -0.177 nan 4.550 nan 0.000 0.287 311 Y C 0.498 176.347 175.900 -0.085 0.000 1.128 311 Y CA 1.783 59.869 58.100 -0.024 0.000 1.282 311 Y CB 1.099 39.578 38.460 0.031 0.000 1.027 311 Y HN 0.255 8.473 8.280 0.136 0.143 0.551 312 E N -0.302 119.917 120.200 0.031 0.000 2.663 312 E HA 0.057 nan 4.350 nan 0.000 0.240 312 E C -1.481 174.990 176.600 -0.214 0.000 1.227 312 E CA -0.882 55.457 56.400 -0.101 0.000 1.528 312 E CB -0.929 28.671 29.700 -0.167 0.000 1.472 312 E HN -0.454 7.719 8.360 -0.024 0.173 0.433 313 A N -1.419 121.306 122.820 -0.159 0.000 1.485 313 A HA 0.123 nan 4.320 nan 0.000 0.211 313 A C -0.538 176.981 177.584 -0.109 0.000 1.759 313 A CA 1.288 53.214 52.037 -0.186 0.000 1.385 313 A CB 1.148 20.006 19.000 -0.236 0.000 1.293 313 A HN -0.524 7.493 8.150 -0.087 0.080 0.400 314 V N -2.036 117.831 119.914 -0.078 0.000 2.602 314 V HA 0.075 nan 4.120 nan 0.000 0.235 314 V C 1.729 177.741 176.094 -0.137 0.000 1.087 314 V CA 2.753 65.002 62.300 -0.085 0.000 1.117 314 V CB 0.827 32.614 31.823 -0.060 0.000 0.820 314 V HN 0.318 8.371 8.190 -0.044 0.110 0.490 315 T N 0.077 114.504 114.554 -0.212 0.000 3.624 315 T HA 0.151 nan 4.350 nan 0.000 0.231 315 T C 0.917 175.336 174.700 -0.468 0.000 0.865 315 T CA -0.019 61.837 62.100 -0.407 0.000 0.926 315 T CB -2.255 66.237 68.868 -0.628 0.000 1.189 315 T HN -0.033 8.112 8.240 -0.160 0.000 0.640 316 G N 3.088 111.743 108.800 -0.241 0.000 4.754 316 G HA2 -0.482 nan 3.960 nan 0.000 0.222 316 G HA3 -0.482 nan 3.960 nan 0.000 0.222 316 G C 0.182 175.017 174.900 -0.108 0.000 1.377 316 G CA 1.473 46.477 45.100 -0.159 0.000 0.942 316 G HN 0.638 8.706 8.290 -0.184 0.111 0.671 317 K N 4.930 125.264 120.400 -0.109 0.000 3.165 317 K HA 0.202 nan 4.320 nan 0.000 0.259 317 K C -1.054 175.608 176.600 0.102 0.000 1.282 317 K CA -2.162 54.141 56.287 0.027 0.000 1.259 317 K CB -1.403 31.160 32.500 0.104 0.000 1.546 317 K HN 0.053 8.062 8.250 -0.265 0.081 0.384 318 K N 2.989 123.406 120.400 0.027 0.000 2.253 318 K HA -0.154 nan 4.320 nan 0.000 0.273 318 K C -1.290 175.271 176.600 -0.065 0.000 1.118 318 K CA 0.782 57.078 56.287 0.016 0.000 1.100 318 K CB -1.068 31.407 32.500 -0.043 0.000 0.932 318 K HN -0.274 7.856 8.250 -0.022 0.106 0.433 319 P HA -0.223 nan 4.420 nan 0.000 0.029 319 P C -1.525 175.591 177.300 -0.307 0.000 0.911 319 P CA 1.285 64.040 63.100 -0.575 0.000 1.009 319 P CB -0.637 30.110 31.700 -1.587 0.000 1.859 320 D N -1.809 118.496 120.400 -0.157 0.000 2.525 320 D HA 0.054 nan 4.640 nan 0.000 0.248 320 D C -0.015 176.286 176.300 0.002 0.000 1.000 320 D CA 1.786 55.801 54.000 0.025 0.000 0.923 320 D CB 1.266 42.090 40.800 0.041 0.000 1.101 320 D HN 0.164 8.273 8.370 -0.128 0.184 0.493 321 S N 0.499 116.142 115.700 -0.095 0.000 2.439 321 S HA 0.023 nan 4.470 nan 0.000 0.282 321 S C -0.594 173.569 174.600 -0.728 0.000 1.170 321 S CA -0.421 57.666 58.200 -0.188 0.000 1.054 321 S CB 0.301 63.533 63.200 0.053 0.000 0.956 321 S HN -0.150 8.131 8.310 -0.049 0.000 0.490 322 W N 6.146 127.047 121.300 -0.665 0.000 2.862 322 W HA 0.232 nan 4.660 nan 0.000 0.426 322 W C -0.754 175.093 176.519 -1.120 0.000 0.950 322 W CA -1.397 55.260 57.345 -1.146 0.000 2.150 322 W CB 0.460 29.617 29.460 -0.504 0.000 1.161 322 W HN 0.465 8.574 8.180 -0.118 0.000 0.696 323 D N 3.605 123.572 120.400 -0.721 0.000 2.994 323 D HA 0.050 nan 4.640 nan 0.000 0.240 323 D C -0.071 176.122 176.300 -0.178 0.000 1.195 323 D CA 0.402 54.224 54.000 -0.296 0.000 0.957 323 D CB -1.497 39.228 40.800 -0.125 0.000 1.105 323 D HN -0.407 7.414 8.370 -0.752 0.097 0.477 324 F N 2.706 122.627 119.950 -0.048 0.000 2.949 324 F HA 0.124 nan 4.527 nan 0.000 0.291 324 F C 0.120 175.910 175.800 -0.017 0.000 1.214 324 F CA -2.834 55.127 58.000 -0.066 0.000 1.381 324 F CB -1.964 36.993 39.000 -0.072 0.000 1.066 324 F HN 0.069 8.041 8.300 -0.384 0.099 0.520 325 K N 0.591 121.063 120.400 0.120 0.000 2.366 325 K HA -0.170 nan 4.320 nan 0.000 0.198 325 K C 1.671 178.307 176.600 0.060 0.000 1.044 325 K CA 1.667 57.995 56.287 0.069 0.000 0.973 325 K CB -0.894 31.627 32.500 0.035 0.000 0.767 325 K HN -0.166 8.002 8.250 0.085 0.133 0.475 326 A N -1.658 121.204 122.820 0.071 0.000 2.067 326 A HA 0.007 nan 4.320 nan 0.000 0.219 326 A C 0.793 178.393 177.584 0.027 0.000 1.158 326 A CA 2.261 54.324 52.037 0.044 0.000 0.661 326 A CB -0.082 18.951 19.000 0.054 0.000 0.801 326 A HN 0.155 8.306 8.150 0.099 0.058 0.452 327 V N -10.109 109.832 119.914 0.045 0.000 3.006 327 V HA 0.327 nan 4.120 nan 0.000 0.357 327 V C -0.061 176.055 176.094 0.036 0.000 1.377 327 V CA -1.454 60.859 62.300 0.022 0.000 1.198 327 V CB -1.315 30.514 31.823 0.009 0.000 1.216 327 V HN -0.589 7.497 8.190 0.083 0.154 0.520 328 R N 1.754 122.279 120.500 0.041 0.000 3.220 328 R HA 0.259 nan 4.340 nan 0.000 0.324 328 R C -0.567 175.742 176.300 0.016 0.000 1.283 328 R CA -0.287 55.834 56.100 0.035 0.000 1.387 328 R CB -0.363 29.967 30.300 0.050 0.000 1.413 328 R HN 0.042 8.176 8.270 0.037 0.158 0.610 329 G N -1.321 107.484 108.800 0.009 0.000 2.490 329 G HA2 0.143 nan 3.960 nan 0.000 0.308 329 G HA3 0.143 nan 3.960 nan 0.000 0.308 329 G C -2.954 171.953 174.900 0.013 0.000 1.286 329 G CA -0.172 44.931 45.100 0.005 0.000 0.825 329 G HN -0.554 7.700 8.290 0.009 0.041 0.479 330 L N -1.132 120.107 121.223 0.027 0.000 2.354 330 L HA 0.683 nan 4.340 nan 0.000 0.264 330 L C -1.448 175.425 176.870 0.005 0.000 1.008 330 L CA -0.708 54.173 54.840 0.070 0.000 0.819 330 L CB 3.117 45.301 42.059 0.208 0.000 1.339 330 L HN 0.183 8.423 8.230 0.017 0.000 0.420 331 D N 1.239 121.569 120.400 -0.117 0.000 2.583 331 D HA 0.138 nan 4.640 nan 0.000 0.248 331 D C -0.402 175.627 176.300 -0.453 0.000 1.209 331 D CA -0.582 53.323 54.000 -0.158 0.000 0.848 331 D CB 3.782 44.506 40.800 -0.125 0.000 1.431 331 D HN 0.154 8.360 8.370 -0.273 0.000 0.436 332 G N -1.012 107.574 108.800 -0.356 0.000 2.408 332 G HA2 -0.149 nan 3.960 nan 0.000 0.217 332 G HA3 -0.149 nan 3.960 nan 0.000 0.217 332 G C -1.040 173.569 174.900 -0.485 0.000 1.150 332 G CA 1.131 45.953 45.100 -0.463 0.000 0.776 332 G HN 0.146 8.335 8.290 -0.169 0.000 0.542 333 I N -1.789 118.592 120.570 -0.315 0.000 2.410 333 I HA 0.251 nan 4.170 nan 0.000 0.286 333 I C -1.316 174.668 176.117 -0.222 0.000 1.009 333 I CA -0.976 60.163 61.300 -0.269 0.000 1.111 333 I CB 1.496 39.383 38.000 -0.189 0.000 1.262 333 I HN -0.646 7.384 8.210 -0.257 0.025 0.443 334 K N 6.905 127.172 120.400 -0.221 0.000 2.095 334 K HA 0.309 nan 4.320 nan 0.000 0.252 334 K C -1.537 174.997 176.600 -0.110 0.000 0.977 334 K CA -1.707 54.497 56.287 -0.138 0.000 0.900 334 K CB 2.304 34.732 32.500 -0.120 0.000 1.060 334 K HN 0.961 8.939 8.250 -0.257 0.118 0.449 335 E N 0.244 120.412 120.200 -0.054 0.000 2.369 335 E HA 0.750 nan 4.350 nan 0.000 0.270 335 E C -1.542 175.066 176.600 0.013 0.000 0.909 335 E CA -1.149 55.242 56.400 -0.016 0.000 0.775 335 E CB 4.265 33.980 29.700 0.025 0.000 1.270 335 E HN 0.141 8.479 8.360 -0.038 0.000 0.445 336 A N 0.925 123.772 122.820 0.044 0.000 2.365 336 A HA 0.371 nan 4.320 nan 0.000 0.318 336 A C -1.497 176.140 177.584 0.087 0.000 1.091 336 A CA -0.943 51.136 52.037 0.071 0.000 0.763 336 A CB 1.617 20.667 19.000 0.083 0.000 1.248 336 A HN 0.141 8.327 8.150 0.060 0.000 0.442 337 T N 3.292 117.893 114.554 0.079 0.000 3.418 337 T HA 0.068 nan 4.350 nan 0.000 0.315 337 T C -1.065 173.671 174.700 0.060 0.000 1.447 337 T CA -0.195 61.940 62.100 0.059 0.000 1.641 337 T CB -0.170 68.721 68.868 0.037 0.000 0.904 337 T HN -0.276 8.012 8.240 0.080 0.000 0.640 338 V N 4.233 124.197 119.914 0.082 0.000 2.617 338 V HA 0.406 nan 4.120 nan 0.000 0.298 338 V C -1.386 174.725 176.094 0.028 0.000 1.048 338 V CA -1.941 60.405 62.300 0.077 0.000 0.964 338 V CB 2.852 34.759 31.823 0.139 0.000 1.004 338 V HN 0.828 8.967 8.190 0.095 0.108 0.466 339 N N 4.469 123.172 118.700 0.006 0.000 2.269 339 N HA 0.535 nan 4.740 nan 0.000 0.304 339 N C -1.756 173.739 175.510 -0.025 0.000 1.072 339 N CA -0.722 52.317 53.050 -0.017 0.000 0.802 339 N CB 3.034 41.512 38.487 -0.016 0.000 1.348 339 N HN -0.126 8.260 8.380 0.009 0.000 0.484 340 V N 4.897 124.791 119.914 -0.033 0.000 2.611 340 V HA 0.432 nan 4.120 nan 0.000 0.286 340 V C 0.328 176.401 176.094 -0.035 0.000 1.118 340 V CA -1.615 60.657 62.300 -0.046 0.000 1.334 340 V CB -1.465 30.321 31.823 -0.061 0.000 1.555 340 V HN 0.849 8.911 8.190 -0.029 0.111 0.594 341 G N 4.767 113.550 108.800 -0.028 0.000 5.155 341 G HA2 -0.389 nan 3.960 nan 0.000 0.239 341 G HA3 -0.389 nan 3.960 nan 0.000 0.239 341 G C -0.241 174.651 174.900 -0.014 0.000 1.409 341 G CA 1.273 46.360 45.100 -0.022 0.000 0.927 341 G HN 0.291 8.768 8.290 -0.026 -0.202 0.710 342 G N 2.858 111.653 108.800 -0.009 0.000 2.760 342 G HA2 0.003 nan 3.960 nan 0.000 0.214 342 G HA3 0.003 nan 3.960 nan 0.000 0.214 342 G C -0.217 174.702 174.900 0.031 0.000 1.212 342 G CA 0.350 45.453 45.100 0.004 0.000 0.858 342 G HN 0.152 8.362 8.290 -0.014 0.072 0.611 343 T N 2.830 117.412 114.554 0.048 0.000 2.828 343 T HA 0.159 nan 4.350 nan 0.000 0.290 343 T C -1.668 173.054 174.700 0.036 0.000 1.019 343 T CA -0.683 61.513 62.100 0.161 0.000 1.031 343 T CB 0.526 69.455 68.868 0.103 0.000 1.001 343 T HN -0.163 8.089 8.240 0.020 0.000 0.531 344 D N 0.664 120.976 120.400 -0.147 0.000 2.278 344 D HA 0.480 nan 4.640 nan 0.000 0.245 344 D C -0.176 175.954 176.300 -0.282 0.000 1.052 344 D CA -0.485 53.332 54.000 -0.306 0.000 0.834 344 D CB 2.418 42.967 40.800 -0.419 0.000 1.194 344 D HN 0.134 8.438 8.370 -0.109 0.000 0.481 345 V N 5.709 125.613 119.914 -0.017 0.000 2.223 345 V HA -0.010 nan 4.120 nan 0.000 0.249 345 V C -1.571 174.662 176.094 0.232 0.000 1.233 345 V CA -0.597 61.861 62.300 0.263 0.000 1.131 345 V CB -1.170 30.831 31.823 0.296 0.000 1.298 345 V HN 0.970 9.024 8.190 -0.007 0.131 0.498 346 K N 5.012 125.554 120.400 0.237 0.000 2.469 346 K HA 0.629 nan 4.320 nan 0.000 0.254 346 K C -1.348 175.452 176.600 0.333 0.000 0.939 346 K CA -0.174 56.235 56.287 0.204 0.000 0.812 346 K CB 4.007 36.554 32.500 0.078 0.000 1.301 346 K HN -0.086 8.383 8.250 0.351 -0.008 0.433 347 V N 4.715 124.789 119.914 0.268 0.000 3.174 347 V HA 0.371 4.621 4.120 0.217 0.000 0.280 347 V C -3.006 173.067 176.094 -0.035 0.000 1.554 347 V CA -0.315 62.048 62.300 0.105 0.000 1.016 347 V CB 3.433 35.307 31.823 0.084 0.000 1.197 347 V HN 0.321 nan 8.190 nan 0.000 0.453 348 A N 5.040 127.642 122.820 -0.363 0.000 2.267 348 A HA 0.595 nan 4.320 nan 0.000 0.315 348 A C -2.042 175.301 177.584 -0.402 0.000 1.297 348 A CA -1.265 50.537 52.037 -0.392 0.000 0.865 348 A CB 1.198 19.815 19.000 -0.640 0.000 1.165 348 A HN 0.249 8.044 8.150 -0.592 0.000 0.513 349 V N 6.646 126.397 119.914 -0.272 0.000 2.304 349 V HA 0.471 nan 4.120 nan 0.000 0.262 349 V C -1.539 174.389 176.094 -0.278 0.000 1.061 349 V CA 0.019 62.173 62.300 -0.243 0.000 0.872 349 V CB -0.089 31.646 31.823 -0.146 0.000 1.077 349 V HN 1.032 8.967 8.190 -0.225 0.121 0.480 350 V N 9.119 128.846 119.914 -0.312 0.000 2.540 350 V HA 0.848 nan 4.120 nan 0.000 0.302 350 V C -2.798 173.181 176.094 -0.193 0.000 1.035 350 V CA -2.791 59.322 62.300 -0.313 0.000 0.873 350 V CB 3.570 35.169 31.823 -0.373 0.000 0.992 350 V HN 1.245 9.132 8.190 -0.327 0.107 0.428 351 H N 7.017 125.967 119.070 -0.201 0.000 2.589 351 H HA 0.915 nan 4.556 nan 0.000 0.335 351 H C -1.421 173.772 175.328 -0.226 0.000 1.019 351 H CA -3.672 52.246 56.048 -0.216 0.000 1.213 351 H CB 1.011 30.672 29.762 -0.169 0.000 1.472 351 H HN 0.739 8.817 8.280 -0.336 0.000 0.508 352 G N 2.244 110.929 108.800 -0.192 0.000 2.359 352 G HA2 -0.153 nan 3.960 nan 0.000 0.314 352 G HA3 -0.153 nan 3.960 nan 0.000 0.314 352 G C -2.814 171.738 174.900 -0.579 0.000 1.364 352 G CA 0.388 45.367 45.100 -0.200 0.000 0.978 352 G HN 0.318 8.288 8.290 -0.362 0.102 0.615 353 A N -1.372 121.208 122.820 -0.400 0.000 1.956 353 A HA 0.118 nan 4.320 nan 0.000 0.212 353 A C 1.041 178.462 177.584 -0.272 0.000 1.188 353 A CA 1.407 53.123 52.037 -0.536 0.000 0.675 353 A CB 0.672 19.565 19.000 -0.178 0.000 0.845 353 A HN 0.575 8.663 8.150 -0.104 0.000 0.455 354 K N 0.032 120.330 120.400 -0.170 0.000 2.097 354 K HA -0.344 nan 4.320 nan 0.000 0.206 354 K C 1.867 178.431 176.600 -0.060 0.000 1.049 354 K CA 3.072 59.303 56.287 -0.094 0.000 0.933 354 K CB -0.374 32.066 32.500 -0.101 0.000 0.717 354 K HN 0.205 8.354 8.250 -0.168 0.000 0.442 355 R N -3.687 116.747 120.500 -0.111 0.000 2.276 355 R HA -0.117 nan 4.340 nan 0.000 0.203 355 R C 2.404 178.723 176.300 0.032 0.000 1.017 355 R CA 2.205 58.260 56.100 -0.074 0.000 1.010 355 R CB -0.660 29.568 30.300 -0.120 0.000 0.900 355 R HN -0.051 8.095 8.270 -0.173 0.020 0.469 356 F N 0.577 120.418 119.950 -0.182 0.000 2.046 356 F HA -0.348 nan 4.527 nan 0.000 0.297 356 F C 1.823 177.590 175.800 -0.054 0.000 1.123 356 F CA 2.897 60.720 58.000 -0.295 0.000 1.199 356 F CB -1.005 37.604 39.000 -0.653 0.000 0.972 356 F HN -0.544 7.558 8.300 -0.054 0.166 0.474 357 K N -1.311 119.191 120.400 0.171 0.000 2.148 357 K HA -0.362 nan 4.320 nan 0.000 0.204 357 K C 2.298 178.973 176.600 0.125 0.000 1.050 357 K CA 3.239 59.618 56.287 0.152 0.000 0.942 357 K CB -0.513 32.053 32.500 0.109 0.000 0.724 357 K HN -0.471 7.872 8.250 0.156 0.000 0.446 358 Q N 0.073 119.920 119.800 0.079 0.000 2.061 358 Q HA -0.304 nan 4.340 nan 0.000 0.204 358 Q C 2.457 178.484 176.000 0.045 0.000 0.984 358 Q CA 3.505 59.333 55.803 0.041 0.000 0.846 358 Q CB 0.105 28.842 28.738 -0.003 0.000 0.902 358 Q HN -0.290 8.012 8.270 0.064 0.007 0.421 359 V N -0.828 119.116 119.914 0.049 0.000 2.788 359 V HA -0.228 nan 4.120 nan 0.000 0.251 359 V C 1.825 177.984 176.094 0.108 0.000 1.068 359 V CA 3.520 65.807 62.300 -0.022 0.000 1.090 359 V CB -0.428 31.197 31.823 -0.330 0.000 0.710 359 V HN -0.128 8.007 8.190 0.079 0.102 0.467 360 C N 0.946 120.386 119.300 0.234 0.000 2.419 360 C HA -0.393 nan 4.460 nan 0.000 0.281 360 C C 1.684 176.771 174.990 0.163 0.000 1.336 360 C CA 4.588 63.745 59.018 0.233 0.000 1.770 360 C CB -2.399 25.526 27.740 0.308 0.000 1.929 360 C HN 0.704 9.001 8.230 0.289 0.106 0.509 361 D N -0.350 120.128 120.400 0.130 0.000 2.144 361 D HA -0.214 nan 4.640 nan 0.000 0.200 361 D C 1.953 178.308 176.300 0.091 0.000 0.978 361 D CA 3.799 57.859 54.000 0.099 0.000 0.833 361 D CB -0.847 39.998 40.800 0.076 0.000 0.961 361 D HN 0.260 8.611 8.370 0.128 0.096 0.470 362 D N 0.446 120.903 120.400 0.095 0.000 2.117 362 D HA -0.171 nan 4.640 nan 0.000 0.198 362 D C 2.334 178.712 176.300 0.131 0.000 0.982 362 D CA 3.027 57.089 54.000 0.103 0.000 0.828 362 D CB -0.076 40.796 40.800 0.119 0.000 0.967 362 D HN -0.719 7.578 8.370 0.092 0.129 0.464 363 V N 0.465 120.475 119.914 0.161 0.000 2.343 363 V HA -0.397 nan 4.120 nan 0.000 0.247 363 V C 2.639 178.814 176.094 0.135 0.000 1.051 363 V CA 4.320 66.732 62.300 0.187 0.000 1.036 363 V CB -0.608 31.354 31.823 0.232 0.000 0.654 363 V HN 0.279 8.499 8.190 0.156 0.063 0.451 364 K N -0.250 120.217 120.400 0.112 0.000 2.283 364 K HA -0.230 nan 4.320 nan 0.000 0.202 364 K C 0.933 177.577 176.600 0.073 0.000 1.048 364 K CA 2.605 58.944 56.287 0.087 0.000 0.948 364 K CB -0.218 32.334 32.500 0.086 0.000 0.742 364 K HN 0.533 8.744 8.250 0.120 0.111 0.458 365 A N -3.382 119.481 122.820 0.073 0.000 2.275 365 A HA 0.150 nan 4.320 nan 0.000 0.212 365 A C -0.039 177.576 177.584 0.052 0.000 1.201 365 A CA -0.174 51.896 52.037 0.056 0.000 0.843 365 A CB -0.135 18.895 19.000 0.050 0.000 0.873 365 A HN -0.588 7.459 8.150 0.084 0.154 0.492 366 G N -1.770 107.070 108.800 0.067 0.000 2.157 366 G HA2 -0.383 nan 3.960 nan 0.000 0.248 366 G HA3 -0.383 nan 3.960 nan 0.000 0.248 366 G C -0.295 174.633 174.900 0.046 0.000 0.979 366 G CA -0.164 44.972 45.100 0.060 0.000 0.650 366 G HN -0.194 7.940 8.290 0.084 0.206 0.529 367 K N 1.450 121.880 120.400 0.049 0.000 2.307 367 K HA 0.038 nan 4.320 nan 0.000 0.240 367 K C -1.666 174.947 176.600 0.022 0.000 1.214 367 K CA -0.982 55.308 56.287 0.005 0.000 1.149 367 K CB -0.748 31.765 32.500 0.022 0.000 1.668 367 K HN 0.066 8.306 8.250 0.072 0.053 0.314 368 S N 1.580 117.277 115.700 -0.004 0.000 2.327 368 S HA 0.313 nan 4.470 nan 0.000 0.203 368 S C -1.525 173.021 174.600 -0.089 0.000 1.326 368 S CA -2.495 55.751 58.200 0.077 0.000 1.248 368 S CB -0.147 63.220 63.200 0.278 0.000 1.199 368 S HN -0.063 8.183 8.310 0.001 0.064 0.422 369 P HA 0.228 nan 4.420 nan 0.000 0.244 369 P C -2.089 175.092 177.300 -0.199 0.000 1.632 369 P CA -0.492 62.464 63.100 -0.240 0.000 0.944 369 P CB -1.249 30.289 31.700 -0.270 0.000 1.569 370 Y N -1.787 118.601 120.300 0.147 0.000 2.528 370 Y HA 0.104 nan 4.550 nan 0.000 0.335 370 Y C 0.140 176.270 175.900 0.384 0.000 1.093 370 Y CA -1.306 56.874 58.100 0.133 0.000 1.134 370 Y CB 2.054 40.584 38.460 0.116 0.000 1.253 370 Y HN -0.445 7.863 8.280 0.209 0.098 0.478 371 H N -2.102 117.239 119.070 0.453 0.000 2.855 371 H HA 0.267 nan 4.556 nan 0.000 0.259 371 H C -1.547 174.126 175.328 0.575 0.000 0.972 371 H CA -0.356 55.933 56.048 0.402 0.000 1.213 371 H CB 2.496 32.386 29.762 0.214 0.000 1.451 371 H HN 0.883 9.334 8.280 0.466 0.109 0.484 372 F N -0.156 120.105 119.950 0.520 0.000 2.576 372 F HA 0.616 nan 4.527 nan 0.000 0.313 372 F C -2.494 173.411 175.800 0.175 0.000 1.078 372 F CA -1.364 56.817 58.000 0.302 0.000 0.921 372 F CB 3.785 42.856 39.000 0.118 0.000 1.232 372 F HN -0.764 7.957 8.300 0.701 0.000 0.459 373 I N 3.847 124.182 120.570 -0.392 0.000 2.474 373 I HA 0.339 nan 4.170 nan 0.000 0.294 373 I C -1.659 173.792 176.117 -1.110 0.000 1.005 373 I CA -1.391 59.493 61.300 -0.694 0.000 1.113 373 I CB 2.876 40.401 38.000 -0.792 0.000 1.289 373 I HN 0.685 8.621 8.210 -0.457 0.000 0.436 374 E N 6.957 126.641 120.200 -0.860 0.000 1.993 374 E HA 0.203 nan 4.350 nan 0.000 0.271 374 E C -1.276 175.103 176.600 -0.369 0.000 1.008 374 E CA -1.824 54.221 56.400 -0.591 0.000 0.814 374 E CB 1.087 30.642 29.700 -0.241 0.000 1.098 374 E HN 0.657 8.636 8.360 -0.635 0.000 0.407 375 Y N 6.980 127.018 120.300 -0.437 0.000 2.504 375 Y HA 0.277 nan 4.550 nan 0.000 0.351 375 Y C -0.924 174.847 175.900 -0.215 0.000 0.988 375 Y CA -0.600 57.257 58.100 -0.406 0.000 1.239 375 Y CB 0.423 38.374 38.460 -0.849 0.000 1.128 375 Y HN 0.513 8.752 8.280 -0.069 0.000 0.525 376 M N 6.274 125.856 119.600 -0.030 0.000 2.227 376 M HA 0.370 nan 4.480 nan 0.000 0.335 376 M C -1.629 174.554 176.300 -0.195 0.000 1.053 376 M CA -2.862 52.410 55.300 -0.046 0.000 0.973 376 M CB 2.048 34.612 32.600 -0.059 0.000 1.623 376 M HN 1.020 9.148 8.290 -0.089 0.109 0.434 377 A N 6.502 129.204 122.820 -0.198 0.000 1.970 377 A HA 0.025 nan 4.320 nan 0.000 0.216 377 A C -0.656 176.708 177.584 -0.365 0.000 1.170 377 A CA 2.149 53.891 52.037 -0.492 0.000 0.645 377 A CB 0.109 19.025 19.000 -0.140 0.000 0.816 377 A HN 0.098 8.251 8.150 0.006 0.000 0.447 378 C N -1.234 117.908 119.300 -0.263 0.000 2.273 378 C HA 0.436 nan 4.460 nan 0.000 0.328 378 C C -1.989 172.784 174.990 -0.361 0.000 1.275 378 C CA -3.442 55.374 59.018 -0.337 0.000 1.704 378 C CB 0.229 27.810 27.740 -0.264 0.000 2.326 378 C HN -0.175 7.898 8.230 -0.194 0.040 0.517 379 P HA -0.160 nan 4.420 nan 0.000 0.257 379 P C -0.953 175.964 177.300 -0.639 0.000 1.359 379 P CA 1.383 63.951 63.100 -0.886 0.000 1.239 379 P CB -1.134 30.108 31.700 -0.764 0.000 1.549 380 G N 1.840 110.381 108.800 -0.432 0.000 3.134 380 G HA2 -0.192 nan 3.960 nan 0.000 0.195 380 G HA3 -0.192 nan 3.960 nan 0.000 0.195 380 G C -1.263 173.552 174.900 -0.141 0.000 1.054 380 G CA -0.056 44.910 45.100 -0.225 0.000 0.828 380 G HN 0.024 8.110 8.290 -0.340 0.000 0.462 381 G N -1.679 107.026 108.800 -0.158 0.000 2.483 381 G HA2 -0.283 nan 3.960 nan 0.000 0.521 381 G HA3 -0.283 nan 3.960 nan 0.000 0.521 381 G C 0.043 174.886 174.900 -0.097 0.000 1.278 381 G CA -0.466 44.570 45.100 -0.106 0.000 0.965 381 G HN -0.886 7.125 8.290 -0.219 0.147 0.504 382 C N 1.105 120.376 119.300 -0.049 0.000 2.410 382 C HA -0.136 nan 4.460 nan 0.000 0.281 382 C C 2.095 177.067 174.990 -0.030 0.000 1.318 382 C CA 2.266 61.267 59.018 -0.029 0.000 1.776 382 C CB -1.353 26.400 27.740 0.022 0.000 1.942 382 C HN 0.515 8.730 8.230 -0.025 0.000 0.508 383 V N -4.409 115.490 119.914 -0.025 0.000 2.469 383 V HA -0.290 nan 4.120 nan 0.000 0.251 383 V C 1.184 177.243 176.094 -0.058 0.000 1.064 383 V CA 3.197 65.480 62.300 -0.027 0.000 1.066 383 V CB -1.222 30.580 31.823 -0.035 0.000 0.667 383 V HN 0.218 8.374 8.190 -0.019 0.022 0.461 384 C N -1.904 117.340 119.300 -0.092 0.000 2.464 384 C HA 0.307 nan 4.460 nan 0.000 0.348 384 C C 1.429 176.335 174.990 -0.139 0.000 1.367 384 C CA 0.935 59.885 59.018 -0.113 0.000 2.012 384 C CB 2.171 29.824 27.740 -0.145 0.000 2.434 384 C HN 0.189 8.195 8.230 -0.102 0.162 0.536 385 G N -1.000 107.698 108.800 -0.170 0.000 3.707 385 G HA2 0.282 nan 3.960 nan 0.000 0.286 385 G HA3 0.282 nan 3.960 nan 0.000 0.286 385 G C -1.457 173.341 174.900 -0.170 0.000 1.112 385 G CA -0.590 44.376 45.100 -0.224 0.000 0.861 385 G HN 0.327 8.408 8.290 -0.158 0.114 0.534 386 G N -0.494 108.235 108.800 -0.118 0.000 2.521 386 G HA2 0.357 nan 3.960 nan 0.000 0.323 386 G HA3 0.357 nan 3.960 nan 0.000 0.323 386 G C -0.971 173.877 174.900 -0.087 0.000 1.211 386 G CA -1.979 43.072 45.100 -0.082 0.000 0.979 386 G HN -0.902 7.235 8.290 -0.108 0.088 0.490 387 G N -1.583 107.182 108.800 -0.059 0.000 3.008 387 G HA2 -0.009 nan 3.960 nan 0.000 0.272 387 G HA3 -0.009 nan 3.960 nan 0.000 0.272 387 G C -1.731 173.159 174.900 -0.017 0.000 0.764 387 G CA 0.110 45.184 45.100 -0.044 0.000 2.029 387 G HN -0.122 8.142 8.290 -0.042 0.000 0.587 388 Q N 1.900 121.685 119.800 -0.026 0.000 2.312 388 Q HA 0.375 nan 4.340 nan 0.000 0.263 388 Q C -2.011 173.995 176.000 0.009 0.000 0.995 388 Q CA -3.853 51.945 55.803 -0.008 0.000 0.853 388 Q CB 1.301 30.024 28.738 -0.025 0.000 1.300 388 Q HN -0.356 7.849 8.270 -0.050 0.035 0.448 389 P HA 0.001 nan 4.420 nan 0.000 0.249 389 P C -1.606 175.715 177.300 0.034 0.000 1.737 389 P CA -0.148 62.994 63.100 0.071 0.000 1.128 389 P CB -1.365 30.465 31.700 0.216 0.000 1.942 390 V N 3.433 123.351 119.914 0.006 0.000 3.051 390 V HA -0.096 nan 4.120 nan 0.000 0.306 390 V C -0.289 175.802 176.094 -0.005 0.000 1.083 390 V CA -0.395 61.901 62.300 -0.006 0.000 1.104 390 V CB 1.069 32.885 31.823 -0.012 0.000 1.027 390 V HN -0.281 7.874 8.190 0.003 0.036 0.483 391 M N 4.129 123.726 119.600 -0.005 0.000 2.250 391 M HA 0.284 nan 4.480 nan 0.000 0.344 391 M C -1.073 175.222 176.300 -0.009 0.000 1.150 391 M CA -1.392 53.905 55.300 -0.003 0.000 1.147 391 M CB 0.522 33.123 32.600 0.002 0.000 1.498 391 M HN 0.219 8.503 8.290 -0.009 0.000 0.461 392 P HA 0.100 nan 4.420 nan 0.000 0.222 392 P C -0.830 176.454 177.300 -0.025 0.000 1.157 392 P CA 0.967 64.060 63.100 -0.011 0.000 0.816 392 P CB 1.002 32.697 31.700 -0.009 0.000 0.813 393 G N -3.416 105.365 108.800 -0.032 0.000 4.775 393 G HA2 0.017 nan 3.960 nan 0.000 0.222 393 G HA3 0.017 nan 3.960 nan 0.000 0.222 393 G C -0.924 173.951 174.900 -0.042 0.000 0.974 393 G CA 0.251 45.318 45.100 -0.055 0.000 0.614 393 G HN -0.512 7.764 8.290 -0.023 0.000 0.427 394 V N 4.930 124.826 119.914 -0.030 0.000 2.071 394 V HA 0.152 nan 4.120 nan 0.000 0.254 394 V C -0.990 175.091 176.094 -0.021 0.000 1.456 394 V CA 0.333 62.623 62.300 -0.016 0.000 1.383 394 V CB -2.760 29.061 31.823 -0.002 0.000 1.433 394 V HN 0.804 8.878 8.190 -0.029 0.098 0.499 395 L N 4.419 125.619 121.223 -0.039 0.000 2.862 395 L HA 0.238 nan 4.340 nan 0.000 0.169 395 L C -0.864 175.990 176.870 -0.027 0.000 1.164 395 L CA 1.033 55.854 54.840 -0.032 0.000 0.858 395 L CB 1.997 44.023 42.059 -0.054 0.000 1.329 395 L HN -0.547 7.602 8.230 -0.040 0.056 0.514 396 E N -3.623 116.557 120.200 -0.034 0.000 2.401 396 E HA 0.140 nan 4.350 nan 0.000 0.280 396 E C -2.328 174.252 176.600 -0.034 0.000 1.039 396 E CA -0.896 55.490 56.400 -0.023 0.000 0.814 396 E CB 3.476 33.167 29.700 -0.014 0.000 1.275 396 E HN -0.356 7.974 8.360 -0.050 0.000 0.448 397 A N 0.000 122.804 122.820 -0.027 0.000 2.254 397 A HA 0.000 nan 4.320 nan 0.000 0.244 397 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 397 A CB 0.000 18.979 19.000 -0.035 0.000 0.831 397 A HN 0.000 8.139 8.150 -0.019 0.000 0.486