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 3cj7_1_A DATA FIRST_RESID 36 DATA SEQUENCE PALKYGIVLD AGSSHTSMFV YKWPADKEND TGIVGQHSSc DVQGGGISSY DATA SEQUENCE ANDPSKAGQS LVRcLEQALR DVPRDRHAST PLYLGATAGM RLLNLTSPEA DATA SEQUENCE TARVLEAVTQ TLTQYPFDFR GARILSGQDE GVFGWVTANY LLENFIKYGW DATA SEQUENCE VGRWIRPRKG TLGAMDLGGA STQITFETTS PSEDPGNEVH LRLYGQHYRV DATA SEQUENCE YTHSFLcYGR DQILLRLLAS ALQIHRFHPc WPKGYSTQVL LQEVYQSPcT DATA SEQUENCE MGQXXXXXXX SAIVSLSGTS NATLcRDLVS RLFNISScPF SQcSFNGVFQ DATA SEQUENCE PPVAGNFIAF SAFYYTVDFL TTVMGLPVGT LKQLEEATEI TcNQTWTELQ DATA SEQUENCE ARVPGQKTRL ADYcAVAMFI HQLLSRGYHF DERSFREVVF QKKAADTAVG DATA SEQUENCE WALGYMLNLT NLIPADLPGL RKGTHF 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 36 P HA 0.000 nan 4.420 nan 0.000 0.216 36 P C 0.000 177.292 177.300 -0.014 0.000 1.155 36 P CA 0.000 63.101 63.100 0.001 0.000 0.800 36 P CB 0.000 31.704 31.700 0.007 0.000 0.726 37 A N 2.388 125.196 122.820 -0.019 0.000 2.520 37 A HA 0.495 4.807 4.320 -0.013 0.000 0.245 37 A C 0.159 177.687 177.584 -0.095 0.000 1.072 37 A CA 0.158 52.172 52.037 -0.038 0.000 0.761 37 A CB 0.222 19.205 19.000 -0.027 0.000 1.004 37 A HN 0.526 nan 8.150 nan 0.000 0.499 38 L N 2.227 123.364 121.223 -0.144 0.000 2.334 38 L HA 0.527 4.859 4.340 -0.013 0.000 0.272 38 L C 0.339 176.924 176.870 -0.475 0.000 1.020 38 L CA -0.544 54.088 54.840 -0.348 0.000 0.812 38 L CB 1.695 43.495 42.059 -0.432 0.000 1.264 38 L HN 0.721 nan 8.230 nan 0.000 0.439 39 K N 1.052 120.918 120.400 -0.890 0.000 2.340 39 K HA 0.636 4.948 4.320 -0.013 0.000 0.244 39 K C -1.691 174.040 176.600 -1.449 0.000 0.973 39 K CA -0.715 54.986 56.287 -0.976 0.000 0.828 39 K CB 2.219 34.080 32.500 -1.065 0.000 1.226 39 K HN 0.257 nan 8.250 nan 0.000 0.437 40 Y N -0.984 118.884 120.300 -0.720 0.000 2.570 40 Y HA 0.645 5.187 4.550 -0.013 0.000 0.345 40 Y C 0.372 176.255 175.900 -0.029 0.000 1.014 40 Y CA -0.924 56.957 58.100 -0.364 0.000 1.063 40 Y CB 2.704 41.083 38.460 -0.135 0.000 1.272 40 Y HN 0.698 nan 8.280 nan 0.000 0.477 41 G N 1.332 110.430 108.800 0.496 0.000 2.706 41 G HA2 0.720 4.672 3.960 -0.013 0.000 0.297 41 G HA3 0.720 4.672 3.960 -0.013 0.000 0.297 41 G C -1.949 173.208 174.900 0.428 0.000 1.403 41 G CA -0.741 44.686 45.100 0.546 0.000 0.954 41 G HN 0.511 nan 8.290 nan 0.000 0.500 42 I N 0.838 121.573 120.570 0.276 0.000 2.498 42 I HA 0.484 4.646 4.170 -0.013 0.000 0.290 42 I C -0.632 175.669 176.117 0.308 0.000 1.032 42 I CA -1.125 60.270 61.300 0.158 0.000 1.073 42 I CB 2.416 40.317 38.000 -0.166 0.000 1.251 42 I HN 0.128 nan 8.210 nan 0.000 0.426 43 V N 6.839 126.962 119.914 0.349 0.000 2.540 43 V HA 0.438 4.550 4.120 -0.013 0.000 0.302 43 V C -0.252 175.992 176.094 0.249 0.000 1.035 43 V CA -0.595 61.947 62.300 0.404 0.000 0.873 43 V CB 2.126 34.238 31.823 0.481 0.000 0.992 43 V HN 0.462 nan 8.190 nan 0.000 0.428 44 L N 4.035 125.395 121.223 0.228 0.000 2.257 44 L HA 0.451 4.783 4.340 -0.013 0.000 0.290 44 L C 0.029 177.019 176.870 0.200 0.000 1.044 44 L CA -0.193 54.723 54.840 0.128 0.000 0.810 44 L CB 1.040 43.153 42.059 0.091 0.000 1.193 44 L HN 0.579 nan 8.230 nan 0.000 0.425 45 D N 3.992 124.456 120.400 0.106 0.000 2.393 45 D HA 0.241 4.873 4.640 -0.013 0.000 0.232 45 D C -0.118 176.274 176.300 0.154 0.000 1.192 45 D CA -0.226 53.855 54.000 0.135 0.000 0.882 45 D CB 1.444 42.216 40.800 -0.046 0.000 1.038 45 D HN 0.503 nan 8.370 nan 0.000 0.499 46 A N 3.897 126.877 122.820 0.267 0.000 2.798 46 A HA 0.590 4.902 4.320 -0.013 0.000 0.316 46 A C 0.856 178.544 177.584 0.173 0.000 1.506 46 A CA -0.335 51.791 52.037 0.150 0.000 1.162 46 A CB -0.011 19.079 19.000 0.149 0.000 1.138 46 A HN 0.531 nan 8.150 nan 0.000 0.532 47 G N 0.375 109.234 108.800 0.098 0.000 2.588 47 G HA2 0.375 4.327 3.960 -0.013 0.000 0.281 47 G HA3 0.375 4.327 3.960 -0.013 0.000 0.281 47 G C 1.224 176.224 174.900 0.166 0.000 1.236 47 G CA 0.316 45.531 45.100 0.191 0.000 0.969 47 G HN 0.986 nan 8.290 nan 0.000 0.504 48 S N -1.200 114.617 115.700 0.194 0.000 2.383 48 S HA -0.151 4.311 4.470 -0.013 0.000 0.227 48 S C 2.130 176.805 174.600 0.125 0.000 1.026 48 S CA 1.792 60.073 58.200 0.135 0.000 0.981 48 S CB -0.364 62.905 63.200 0.114 0.000 0.818 48 S HN 1.001 nan 8.310 nan 0.000 0.472 49 S N 0.990 116.808 115.700 0.196 0.000 2.523 49 S HA 0.241 4.703 4.470 -0.013 0.000 0.217 49 S C 0.365 175.105 174.600 0.233 0.000 0.996 49 S CA -0.143 58.151 58.200 0.157 0.000 0.921 49 S CB -0.385 62.882 63.200 0.112 0.000 0.829 49 S HN 0.930 nan 8.310 nan 0.000 0.495 50 H N -0.977 118.135 119.070 0.069 0.000 3.005 50 H HA 0.419 4.967 4.556 -0.013 0.000 0.311 50 H C -2.055 173.329 175.328 0.094 0.000 1.366 50 H CA -0.476 55.613 56.048 0.068 0.000 1.210 50 H CB 0.585 30.381 29.762 0.057 0.000 1.894 50 H HN -0.015 nan 8.280 nan 0.000 0.520 51 T N 1.809 116.238 114.554 -0.208 0.000 2.829 51 T HA 0.563 4.905 4.350 -0.013 0.000 0.280 51 T C -0.380 174.152 174.700 -0.280 0.000 0.999 51 T CA -0.580 61.366 62.100 -0.257 0.000 0.983 51 T CB 1.297 70.127 68.868 -0.063 0.000 0.968 51 T HN 0.552 nan 8.240 nan 0.000 0.446 52 S N 2.480 117.986 115.700 -0.323 0.000 2.513 52 S HA 0.612 5.074 4.470 -0.013 0.000 0.299 52 S C -0.714 173.601 174.600 -0.475 0.000 1.087 52 S CA -0.778 57.204 58.200 -0.363 0.000 1.012 52 S CB 1.556 64.536 63.200 -0.368 0.000 1.044 52 S HN 0.720 nan 8.310 nan 0.000 0.485 53 M N 3.568 122.824 119.600 -0.573 0.000 2.205 53 M HA 0.563 5.035 4.480 -0.013 0.000 0.344 53 M C -2.073 173.783 176.300 -0.739 0.000 1.085 53 M CA -0.490 54.526 55.300 -0.473 0.000 1.001 53 M CB 0.352 32.776 32.600 -0.293 0.000 1.626 53 M HN 0.571 nan 8.290 nan 0.000 0.442 54 F N 3.912 123.759 119.950 -0.172 0.000 2.482 54 F HA 0.579 5.098 4.527 -0.013 0.000 0.331 54 F C -0.453 175.094 175.800 -0.420 0.000 1.115 54 F CA -0.819 56.971 58.000 -0.350 0.000 0.955 54 F CB 1.774 40.490 39.000 -0.474 0.000 1.136 54 F HN 0.162 nan 8.300 nan 0.000 0.452 55 V N 3.934 123.705 119.914 -0.239 0.000 2.384 55 V HA 0.394 4.506 4.120 -0.013 0.000 0.287 55 V C -0.857 175.165 176.094 -0.120 0.000 1.020 55 V CA -0.993 61.252 62.300 -0.092 0.000 0.850 55 V CB 0.888 32.759 31.823 0.079 0.000 0.987 55 V HN 0.544 nan 8.190 nan 0.000 0.436 56 Y N 3.540 124.039 120.300 0.332 0.000 2.528 56 Y HA 0.741 5.283 4.550 -0.012 0.000 0.335 56 Y C 0.313 176.417 175.900 0.341 0.000 1.093 56 Y CA -0.997 57.311 58.100 0.347 0.000 1.134 56 Y CB 1.809 40.468 38.460 0.331 0.000 1.253 56 Y HN 0.639 nan 8.280 nan 0.000 0.478 57 K N 0.662 121.321 120.400 0.431 0.000 2.508 57 K HA 0.732 5.044 4.320 -0.013 0.000 0.260 57 K C -2.047 174.702 176.600 0.248 0.000 0.949 57 K CA -0.877 55.377 56.287 -0.055 0.000 0.834 57 K CB 2.638 34.845 32.500 -0.489 0.000 1.365 57 K HN 0.822 nan 8.250 nan 0.000 0.437 58 W N -0.267 120.930 121.300 -0.171 0.000 3.248 58 W HA 0.450 5.103 4.660 -0.012 0.000 0.311 58 W C -3.075 173.392 176.519 -0.086 0.000 1.258 58 W CA -2.175 55.131 57.345 -0.065 0.000 1.191 58 W CB 0.464 29.926 29.460 0.004 0.000 1.389 58 W HN 0.312 nan 8.180 nan 0.000 0.561 59 P HA 0.102 nan 4.420 nan 0.000 0.271 59 P C 0.718 178.076 177.300 0.096 0.000 1.220 59 P CA 0.829 63.949 63.100 0.032 0.000 0.768 59 P CB 1.216 32.957 31.700 0.069 0.000 0.848 60 A N 4.962 127.770 122.820 -0.019 0.000 1.884 60 A HA -0.259 4.053 4.320 -0.013 0.000 0.219 60 A C 1.510 179.168 177.584 0.123 0.000 1.197 60 A CA 2.547 54.609 52.037 0.042 0.000 0.637 60 A CB -1.495 17.500 19.000 -0.009 0.000 0.827 60 A HN 0.616 nan 8.150 nan 0.000 0.450 61 D N -1.593 118.858 120.400 0.085 0.000 2.349 61 D HA 0.028 4.660 4.640 -0.013 0.000 0.224 61 D C 1.092 177.448 176.300 0.094 0.000 1.029 61 D CA 0.819 54.868 54.000 0.081 0.000 0.879 61 D CB -0.052 40.779 40.800 0.053 0.000 0.906 61 D HN 0.494 nan 8.370 nan 0.000 0.528 62 K N -0.028 120.448 120.400 0.126 0.000 2.506 62 K HA 0.066 4.378 4.320 -0.013 0.000 0.204 62 K C 1.121 177.816 176.600 0.158 0.000 1.045 62 K CA -0.029 56.330 56.287 0.121 0.000 1.074 62 K CB 0.630 33.190 32.500 0.101 0.000 0.842 62 K HN 0.284 nan 8.250 nan 0.000 0.514 63 E N 0.272 120.596 120.200 0.208 0.000 2.268 63 E HA -0.139 4.203 4.350 -0.013 0.000 0.195 63 E C 0.832 177.471 176.600 0.065 0.000 0.995 63 E CA 0.984 57.512 56.400 0.213 0.000 0.836 63 E CB 0.024 29.947 29.700 0.371 0.000 0.763 63 E HN 0.084 nan 8.360 nan 0.000 0.491 64 N N 1.269 120.026 118.700 0.096 0.000 2.336 64 N HA 0.005 4.737 4.740 -0.013 0.000 0.189 64 N C -0.621 175.009 175.510 0.200 0.000 1.113 64 N CA 0.241 53.357 53.050 0.110 0.000 0.858 64 N CB 0.119 38.656 38.487 0.085 0.000 0.970 64 N HN 0.175 nan 8.380 nan 0.000 0.471 65 D N 0.813 121.302 120.400 0.147 0.000 2.424 65 D HA -0.020 4.612 4.640 -0.013 0.000 0.244 65 D C 0.500 176.850 176.300 0.084 0.000 1.134 65 D CA 0.565 54.624 54.000 0.098 0.000 0.881 65 D CB 0.776 41.599 40.800 0.039 0.000 1.191 65 D HN -0.137 nan 8.370 nan 0.000 0.445 66 T N 0.691 115.194 114.554 -0.084 0.000 2.930 66 T HA 0.372 4.714 4.350 -0.013 0.000 0.306 66 T C 1.398 175.713 174.700 -0.642 0.000 1.045 66 T CA 0.784 62.665 62.100 -0.366 0.000 1.134 66 T CB 0.293 68.774 68.868 -0.645 0.000 0.961 66 T HN 0.595 nan 8.240 nan 0.000 0.545 67 G N 3.930 111.833 108.800 -1.495 0.000 2.189 67 G HA2 -0.273 3.679 3.960 -0.013 0.000 0.267 67 G HA3 -0.273 3.679 3.960 -0.013 0.000 0.267 67 G C 0.852 175.584 174.900 -0.280 0.000 0.975 67 G CA 0.506 45.066 45.100 -0.900 0.000 0.644 67 G HN 0.703 nan 8.290 nan 0.000 0.537 68 I N 0.805 121.318 120.570 -0.095 0.000 2.406 68 I HA 0.170 4.332 4.170 -0.013 0.000 0.249 68 I C 1.632 177.881 176.117 0.220 0.000 1.122 68 I CA 0.479 61.836 61.300 0.094 0.000 1.431 68 I CB 0.070 38.138 38.000 0.113 0.000 1.087 68 I HN 0.093 nan 8.210 nan 0.000 0.424 69 V N 1.857 121.963 119.914 0.319 0.000 2.572 69 V HA 0.490 4.602 4.120 -0.013 0.000 0.291 69 V C 0.657 176.926 176.094 0.292 0.000 1.039 69 V CA 0.346 62.811 62.300 0.276 0.000 1.055 69 V CB 0.073 31.871 31.823 -0.042 0.000 0.969 69 V HN 0.406 nan 8.190 nan 0.000 0.482 70 G N 3.081 112.071 108.800 0.317 0.000 2.642 70 G HA2 0.520 4.472 3.960 -0.013 0.000 0.293 70 G HA3 0.520 4.472 3.960 -0.013 0.000 0.293 70 G C -1.123 174.033 174.900 0.427 0.000 1.341 70 G CA -0.723 44.563 45.100 0.309 0.000 0.916 70 G HN 0.608 nan 8.290 nan 0.000 0.474 71 Q N -0.906 119.113 119.800 0.366 0.000 2.311 71 Q HA 0.159 4.491 4.340 -0.013 0.000 0.272 71 Q C 0.627 176.755 176.000 0.215 0.000 1.012 71 Q CA -0.002 55.945 55.803 0.239 0.000 0.891 71 Q CB 0.557 29.377 28.738 0.138 0.000 1.201 71 Q HN 0.800 nan 8.270 nan 0.000 0.391 72 H N 1.528 120.653 119.070 0.091 0.000 2.460 72 H HA 0.256 4.804 4.556 -0.013 0.000 0.297 72 H C -0.354 175.016 175.328 0.071 0.000 1.023 72 H CA 1.091 57.208 56.048 0.115 0.000 1.321 72 H CB 0.664 30.546 29.762 0.200 0.000 1.455 72 H HN 0.596 nan 8.280 nan 0.000 0.539 73 S N -0.894 114.757 115.700 -0.082 0.000 2.672 73 S HA 0.624 5.086 4.470 -0.013 0.000 0.271 73 S C -0.963 173.585 174.600 -0.088 0.000 1.171 73 S CA -0.253 57.859 58.200 -0.147 0.000 0.817 73 S CB 1.863 64.940 63.200 -0.205 0.000 1.150 73 S HN 0.686 nan 8.310 nan 0.000 0.478 74 S N -0.953 114.680 115.700 -0.113 0.000 2.596 74 S HA 0.827 5.289 4.470 -0.013 0.000 0.270 74 S C -1.193 173.289 174.600 -0.197 0.000 1.155 74 S CA -0.746 57.333 58.200 -0.202 0.000 0.827 74 S CB 1.172 64.269 63.200 -0.171 0.000 1.130 74 S HN 1.870 nan 8.310 nan 0.000 0.467 75 c N 1.559 119.993 118.600 -0.277 0.000 2.811 75 c HA 0.670 5.232 4.570 -0.013 0.000 0.352 75 c C -1.951 172.019 174.090 -0.201 0.000 1.098 75 c CA -0.383 55.833 56.329 -0.188 0.000 1.295 75 c CB 0.743 43.161 42.510 -0.154 0.000 1.758 75 c HN 0.949 nan 8.230 nan 0.000 0.488 76 D N 4.151 124.487 120.400 -0.107 0.000 2.280 76 D HA 0.324 4.956 4.640 -0.013 0.000 0.236 76 D C -0.087 176.201 176.300 -0.021 0.000 1.082 76 D CA 0.063 54.035 54.000 -0.046 0.000 0.834 76 D CB 2.140 42.950 40.800 0.016 0.000 1.100 76 D HN 0.430 nan 8.370 nan 0.000 0.486 77 V N 3.282 123.187 119.914 -0.015 0.000 2.521 77 V HA -0.033 4.079 4.120 -0.013 0.000 0.286 77 V C 0.970 177.091 176.094 0.045 0.000 1.034 77 V CA -0.199 62.103 62.300 0.003 0.000 1.045 77 V CB 0.577 32.400 31.823 -0.002 0.000 0.974 77 V HN 0.368 nan 8.190 nan 0.000 0.480 78 Q N 3.000 122.823 119.800 0.039 0.000 2.330 78 Q HA 0.430 4.762 4.340 -0.013 0.000 0.279 78 Q C 0.892 176.942 176.000 0.083 0.000 1.024 78 Q CA 1.073 56.907 55.803 0.051 0.000 0.900 78 Q CB 0.754 29.515 28.738 0.039 0.000 1.221 78 Q HN 1.147 nan 8.270 nan 0.000 0.396 79 G N 1.340 110.185 108.800 0.076 0.000 2.615 79 G HA2 -0.158 3.794 3.960 -0.013 0.000 0.218 79 G HA3 -0.158 3.794 3.960 -0.013 0.000 0.218 79 G C 0.076 175.020 174.900 0.074 0.000 1.339 79 G CA -0.822 44.327 45.100 0.081 0.000 0.884 79 G HN 0.860 nan 8.290 nan 0.000 0.559 80 G N -0.474 108.333 108.800 0.011 0.000 2.653 80 G HA2 0.671 4.623 3.960 -0.013 0.000 0.265 80 G HA3 0.671 4.623 3.960 -0.013 0.000 0.265 80 G C 0.997 175.904 174.900 0.011 0.000 1.237 80 G CA 0.641 45.713 45.100 -0.047 0.000 0.946 80 G HN 1.840 nan 8.290 nan 0.000 0.522 81 G N -1.410 107.393 108.800 0.006 0.000 2.634 81 G HA2 0.343 4.295 3.960 -0.013 0.000 0.255 81 G HA3 0.343 4.295 3.960 -0.013 0.000 0.255 81 G C 1.296 176.240 174.900 0.072 0.000 1.205 81 G CA 0.051 45.185 45.100 0.058 0.000 0.884 81 G HN 0.941 nan 8.290 nan 0.000 0.549 82 I N -1.395 119.266 120.570 0.152 0.000 2.493 82 I HA -0.096 4.066 4.170 -0.013 0.000 0.254 82 I C 2.456 178.686 176.117 0.189 0.000 1.160 82 I CA 1.627 63.084 61.300 0.261 0.000 1.445 82 I CB -0.353 37.759 38.000 0.187 0.000 1.086 82 I HN 0.411 nan 8.210 nan 0.000 0.433 83 S N 1.661 117.415 115.700 0.089 0.000 2.442 83 S HA -0.180 4.282 4.470 -0.013 0.000 0.236 83 S C 2.108 176.702 174.600 -0.011 0.000 1.007 83 S CA 1.115 59.346 58.200 0.052 0.000 0.965 83 S CB -0.995 62.229 63.200 0.041 0.000 0.773 83 S HN 0.739 nan 8.310 nan 0.000 0.504 84 S N 0.370 115.997 115.700 -0.121 0.000 2.500 84 S HA -0.049 4.413 4.470 -0.013 0.000 0.239 84 S C 0.805 175.189 174.600 -0.360 0.000 0.989 84 S CA 0.260 58.292 58.200 -0.281 0.000 0.951 84 S CB -0.840 62.122 63.200 -0.397 0.000 0.759 84 S HN 0.662 nan 8.310 nan 0.000 0.523 85 Y N 1.152 121.469 120.300 0.028 0.000 2.625 85 Y HA 0.654 5.196 4.550 -0.013 0.000 0.285 85 Y C 2.056 177.971 175.900 0.025 0.000 1.168 85 Y CA -0.652 57.463 58.100 0.025 0.000 1.250 85 Y CB -0.748 37.727 38.460 0.025 0.000 1.130 85 Y HN 0.335 nan 8.280 nan 0.000 0.526 86 A N 0.769 123.654 122.820 0.108 0.000 1.917 86 A HA -0.224 4.088 4.320 -0.013 0.000 0.219 86 A C 1.939 179.570 177.584 0.077 0.000 1.182 86 A CA 1.987 54.073 52.037 0.082 0.000 0.633 86 A CB -0.340 18.689 19.000 0.047 0.000 0.819 86 A HN 0.459 nan 8.150 nan 0.000 0.448 87 N N -0.650 118.094 118.700 0.073 0.000 2.336 87 N HA 0.011 4.743 4.740 -0.013 0.000 0.189 87 N C -0.468 175.089 175.510 0.078 0.000 1.113 87 N CA 0.565 53.654 53.050 0.064 0.000 0.858 87 N CB 0.456 38.971 38.487 0.047 0.000 0.970 87 N HN 0.404 nan 8.380 nan 0.000 0.471 88 D N -0.002 120.467 120.400 0.116 0.000 2.968 88 D HA 0.148 4.781 4.640 -0.013 0.000 0.301 88 D C -1.833 174.533 176.300 0.109 0.000 1.226 88 D CA -1.509 52.557 54.000 0.111 0.000 0.746 88 D CB 0.936 41.821 40.800 0.141 0.000 1.278 88 D HN -0.049 nan 8.370 nan 0.000 0.544 89 P HA -0.169 nan 4.420 nan 0.000 0.218 89 P C 1.500 178.795 177.300 -0.009 0.000 1.148 89 P CA 0.924 64.063 63.100 0.065 0.000 0.822 89 P CB 0.109 31.844 31.700 0.057 0.000 0.784 90 S N 0.815 116.503 115.700 -0.020 0.000 2.387 90 S HA -0.191 4.271 4.470 -0.013 0.000 0.230 90 S C 1.949 176.468 174.600 -0.136 0.000 1.035 90 S CA 1.173 59.341 58.200 -0.053 0.000 1.014 90 S CB -1.131 62.051 63.200 -0.031 0.000 0.836 90 S HN 0.201 nan 8.310 nan 0.000 0.466 91 K N 1.459 121.733 120.400 -0.210 0.000 2.283 91 K HA 0.104 4.416 4.320 -0.013 0.000 0.202 91 K C 2.483 178.597 176.600 -0.810 0.000 1.048 91 K CA 0.876 56.893 56.287 -0.450 0.000 0.948 91 K CB -0.504 31.717 32.500 -0.466 0.000 0.742 91 K HN 0.529 nan 8.250 nan 0.000 0.458 92 A N 1.384 123.827 122.820 -0.629 0.000 1.858 92 A HA -0.119 4.193 4.320 -0.013 0.000 0.216 92 A C 2.417 179.873 177.584 -0.214 0.000 1.190 92 A CA 2.025 53.821 52.037 -0.402 0.000 0.617 92 A CB -1.198 17.792 19.000 -0.016 0.000 0.827 92 A HN 0.405 nan 8.150 nan 0.000 0.443 93 G N -1.127 107.587 108.800 -0.143 0.000 2.421 93 G HA2 -0.285 3.667 3.960 -0.013 0.000 0.216 93 G HA3 -0.285 3.667 3.960 -0.013 0.000 0.216 93 G C 1.615 176.455 174.900 -0.101 0.000 1.171 93 G CA 1.362 46.407 45.100 -0.091 0.000 0.775 93 G HN 0.523 nan 8.290 nan 0.000 0.543 94 Q N 1.401 121.123 119.800 -0.131 0.000 2.135 94 Q HA -0.136 4.196 4.340 -0.013 0.000 0.204 94 Q C 2.737 178.675 176.000 -0.102 0.000 0.981 94 Q CA 1.955 57.697 55.803 -0.101 0.000 0.856 94 Q CB -0.521 28.155 28.738 -0.104 0.000 0.902 94 Q HN 0.554 nan 8.270 nan 0.000 0.425 95 S N -0.737 114.864 115.700 -0.165 0.000 2.420 95 S HA -0.164 4.298 4.470 -0.013 0.000 0.237 95 S C 1.714 176.286 174.600 -0.046 0.000 1.023 95 S CA 1.363 59.511 58.200 -0.088 0.000 0.991 95 S CB -0.517 62.648 63.200 -0.058 0.000 0.792 95 S HN 0.503 nan 8.310 nan 0.000 0.488 96 L N 0.766 121.950 121.223 -0.066 0.000 2.418 96 L HA 0.107 4.439 4.340 -0.013 0.000 0.218 96 L C 2.457 179.264 176.870 -0.105 0.000 1.125 96 L CA 0.141 54.931 54.840 -0.084 0.000 0.835 96 L CB -0.525 41.472 42.059 -0.103 0.000 0.953 96 L HN 0.213 nan 8.230 nan 0.000 0.454 97 V N 0.094 119.973 119.914 -0.059 0.000 2.287 97 V HA -0.274 3.838 4.120 -0.013 0.000 0.248 97 V C 2.737 178.815 176.094 -0.026 0.000 1.053 97 V CA 1.693 63.983 62.300 -0.017 0.000 1.027 97 V CB -0.546 31.312 31.823 0.060 0.000 0.646 97 V HN 0.462 nan 8.190 nan 0.000 0.447 98 R N -0.622 119.865 120.500 -0.022 0.000 2.091 98 R HA -0.186 4.146 4.340 -0.013 0.000 0.238 98 R C 2.312 178.585 176.300 -0.045 0.000 1.136 98 R CA 1.974 58.064 56.100 -0.017 0.000 0.959 98 R CB -1.318 28.975 30.300 -0.013 0.000 0.856 98 R HN 0.494 nan 8.270 nan 0.000 0.437 99 c N 0.673 119.226 118.600 -0.078 0.000 2.457 99 c HA 0.022 4.585 4.570 -0.013 0.000 0.278 99 c C 2.866 176.869 174.090 -0.144 0.000 1.309 99 c CA 0.218 56.481 56.329 -0.108 0.000 1.735 99 c CB -0.965 41.468 42.510 -0.129 0.000 1.992 99 c HN 0.388 nan 8.230 nan 0.000 0.493 100 L N 0.692 121.786 121.223 -0.216 0.000 2.046 100 L HA -0.152 4.181 4.340 -0.013 0.000 0.208 100 L C 2.723 179.500 176.870 -0.155 0.000 1.077 100 L CA 1.324 55.953 54.840 -0.353 0.000 0.747 100 L CB -0.713 40.822 42.059 -0.873 0.000 0.896 100 L HN 0.325 nan 8.230 nan 0.000 0.432 101 E N -0.085 120.096 120.200 -0.031 0.000 2.118 101 E HA -0.289 4.053 4.350 -0.013 0.000 0.195 101 E C 2.037 178.666 176.600 0.049 0.000 0.992 101 E CA 1.138 57.587 56.400 0.081 0.000 0.804 101 E CB -0.196 29.552 29.700 0.080 0.000 0.741 101 E HN 0.562 nan 8.360 nan 0.000 0.458 102 Q N 0.245 120.046 119.800 0.002 0.000 2.079 102 Q HA -0.103 4.229 4.340 -0.013 0.000 0.200 102 Q C 2.091 178.102 176.000 0.018 0.000 0.974 102 Q CA 1.376 57.179 55.803 0.000 0.000 0.840 102 Q CB -0.064 28.654 28.738 -0.034 0.000 0.898 102 Q HN 0.220 nan 8.270 nan 0.000 0.430 103 A N 0.882 123.699 122.820 -0.005 0.000 1.978 103 A HA -0.175 4.137 4.320 -0.013 0.000 0.220 103 A C 2.040 179.745 177.584 0.202 0.000 1.170 103 A CA 1.128 53.169 52.037 0.008 0.000 0.636 103 A CB -0.695 18.194 19.000 -0.185 0.000 0.810 103 A HN 0.454 nan 8.150 nan 0.000 0.448 104 L N -1.160 120.187 121.223 0.207 0.000 2.046 104 L HA -0.214 4.118 4.340 -0.013 0.000 0.208 104 L C 2.875 179.880 176.870 0.225 0.000 1.077 104 L CA 1.618 56.519 54.840 0.102 0.000 0.747 104 L CB -0.463 41.635 42.059 0.066 0.000 0.896 104 L HN 0.400 nan 8.230 nan 0.000 0.432 105 R N -0.467 120.119 120.500 0.144 0.000 2.119 105 R HA -0.093 4.240 4.340 -0.013 0.000 0.222 105 R C 1.740 178.108 176.300 0.114 0.000 1.088 105 R CA 1.064 57.232 56.100 0.114 0.000 0.984 105 R CB -0.225 30.117 30.300 0.070 0.000 0.884 105 R HN 0.331 nan 8.270 nan 0.000 0.447 106 D N 0.292 120.761 120.400 0.116 0.000 2.162 106 D HA -0.024 4.608 4.640 -0.013 0.000 0.203 106 D C 0.403 176.766 176.300 0.105 0.000 0.967 106 D CA 0.805 54.896 54.000 0.152 0.000 0.840 106 D CB 0.196 41.077 40.800 0.136 0.000 0.972 106 D HN -0.086 nan 8.370 nan 0.000 0.482 107 V N 2.488 122.416 119.914 0.024 0.000 2.439 107 V HA 0.245 4.357 4.120 -0.013 0.000 0.282 107 V C -2.194 173.844 176.094 -0.093 0.000 1.039 107 V CA -1.844 60.303 62.300 -0.255 0.000 0.913 107 V CB 1.455 33.246 31.823 -0.054 0.000 0.983 107 V HN -0.095 nan 8.190 nan 0.000 0.460 108 P HA 0.163 nan 4.420 nan 0.000 0.266 108 P C 0.715 177.795 177.300 -0.367 0.000 1.195 108 P CA 0.059 63.026 63.100 -0.222 0.000 0.768 108 P CB 0.580 32.172 31.700 -0.181 0.000 0.838 109 R N 2.386 122.599 120.500 -0.478 0.000 2.083 109 R HA -0.160 4.172 4.340 -0.013 0.000 0.237 109 R C 1.550 177.507 176.300 -0.572 0.000 1.137 109 R CA 1.952 57.530 56.100 -0.870 0.000 0.951 109 R CB -0.655 29.388 30.300 -0.428 0.000 0.851 109 R HN 0.649 nan 8.270 nan 0.000 0.434 110 D N 0.157 120.389 120.400 -0.280 0.000 2.384 110 D HA -0.169 4.463 4.640 -0.013 0.000 0.222 110 D C 1.258 177.499 176.300 -0.098 0.000 0.976 110 D CA 1.000 54.909 54.000 -0.152 0.000 0.915 110 D CB -0.120 40.625 40.800 -0.091 0.000 0.896 110 D HN 0.161 nan 8.370 nan 0.000 0.523 111 R N -1.290 119.143 120.500 -0.112 0.000 2.365 111 R HA 0.208 4.540 4.340 -0.013 0.000 0.223 111 R C 1.795 178.174 176.300 0.131 0.000 0.899 111 R CA -0.098 56.008 56.100 0.012 0.000 1.059 111 R CB -0.002 30.320 30.300 0.037 0.000 1.086 111 R HN 0.386 nan 8.270 nan 0.000 0.522 112 H N 0.112 119.190 119.070 0.013 0.000 2.289 112 H HA -0.153 4.395 4.556 -0.013 0.000 0.296 112 H C 2.123 177.493 175.328 0.070 0.000 1.091 112 H CA 1.201 57.260 56.048 0.019 0.000 1.274 112 H CB 0.136 29.745 29.762 -0.254 0.000 1.364 112 H HN 0.262 nan 8.280 nan 0.000 0.490 113 A N 0.661 123.566 122.820 0.143 0.000 2.024 113 A HA -0.164 4.148 4.320 -0.013 0.000 0.220 113 A C 2.234 179.891 177.584 0.122 0.000 1.164 113 A CA 1.755 53.850 52.037 0.098 0.000 0.643 113 A CB -0.327 18.702 19.000 0.049 0.000 0.806 113 A HN 0.512 nan 8.150 nan 0.000 0.451 114 S N -1.946 113.834 115.700 0.133 0.000 2.568 114 S HA 0.209 4.672 4.470 -0.013 0.000 0.232 114 S C 0.194 174.889 174.600 0.159 0.000 0.975 114 S CA -0.030 58.243 58.200 0.123 0.000 0.949 114 S CB -0.156 63.097 63.200 0.088 0.000 0.829 114 S HN 0.183 nan 8.310 nan 0.000 0.479 115 T N 6.166 120.854 114.554 0.224 0.000 2.738 115 T HA 0.425 4.767 4.350 -0.013 0.000 0.298 115 T C -2.761 172.060 174.700 0.201 0.000 0.962 115 T CA -1.462 60.785 62.100 0.245 0.000 0.972 115 T CB 1.318 70.382 68.868 0.326 0.000 0.928 115 T HN 0.245 nan 8.240 nan 0.000 0.474 116 P HA 0.307 nan 4.420 nan 0.000 0.275 116 P C -0.952 176.260 177.300 -0.147 0.000 1.227 116 P CA -0.743 62.327 63.100 -0.049 0.000 0.781 116 P CB 0.870 32.521 31.700 -0.082 0.000 0.906 117 L N 4.656 125.732 121.223 -0.245 0.000 2.356 117 L HA 0.513 4.845 4.340 -0.013 0.000 0.277 117 L C -1.535 175.227 176.870 -0.180 0.000 0.996 117 L CA -0.898 53.878 54.840 -0.105 0.000 0.822 117 L CB 0.867 42.988 42.059 0.103 0.000 1.256 117 L HN 0.217 nan 8.230 nan 0.000 0.413 118 Y N 4.720 125.175 120.300 0.259 0.000 2.485 118 Y HA 0.670 5.213 4.550 -0.013 0.000 0.345 118 Y C -0.609 175.511 175.900 0.367 0.000 0.998 118 Y CA -0.794 57.489 58.100 0.304 0.000 1.059 118 Y CB 2.055 40.705 38.460 0.317 0.000 1.234 118 Y HN 0.592 nan 8.280 nan 0.000 0.461 119 L N 1.951 123.507 121.223 0.555 0.000 2.356 119 L HA 0.929 5.261 4.340 -0.013 0.000 0.277 119 L C -0.378 176.730 176.870 0.398 0.000 0.996 119 L CA -0.309 54.789 54.840 0.431 0.000 0.822 119 L CB 1.363 43.626 42.059 0.340 0.000 1.256 119 L HN 0.818 nan 8.230 nan 0.000 0.413 120 G N 3.583 112.599 108.800 0.360 0.000 2.530 120 G HA2 0.739 4.691 3.960 -0.013 0.000 0.316 120 G HA3 0.739 4.691 3.960 -0.013 0.000 0.316 120 G C -1.327 173.644 174.900 0.118 0.000 1.298 120 G CA -0.295 44.841 45.100 0.060 0.000 0.948 120 G HN 0.859 nan 8.290 nan 0.000 0.486 121 A N 1.822 124.628 122.820 -0.023 0.000 2.340 121 A HA 0.935 5.247 4.320 -0.013 0.000 0.331 121 A C 0.654 178.183 177.584 -0.092 0.000 1.140 121 A CA 0.067 52.120 52.037 0.025 0.000 0.801 121 A CB 1.579 20.616 19.000 0.062 0.000 1.234 121 A HN 1.217 nan 8.150 nan 0.000 0.469 122 T N -1.628 112.915 114.554 -0.018 0.000 2.548 122 T HA 0.590 4.932 4.350 -0.013 0.000 0.214 122 T C 1.576 176.278 174.700 0.003 0.000 0.873 122 T CA 0.493 62.554 62.100 -0.065 0.000 1.180 122 T CB -0.113 68.736 68.868 -0.032 0.000 1.960 122 T HN 1.251 nan 8.240 nan 0.000 0.505 123 A N 0.484 123.327 122.820 0.038 0.000 2.019 123 A HA 0.233 4.545 4.320 -0.013 0.000 0.219 123 A C 2.405 180.018 177.584 0.050 0.000 1.164 123 A CA 1.895 53.959 52.037 0.045 0.000 0.644 123 A CB -1.826 17.217 19.000 0.072 0.000 0.805 123 A HN 0.974 nan 8.150 nan 0.000 0.449 124 G N -0.619 108.219 108.800 0.064 0.000 2.476 124 G HA2 -0.257 3.695 3.960 -0.013 0.000 0.218 124 G HA3 -0.257 3.695 3.960 -0.013 0.000 0.218 124 G C 1.490 176.417 174.900 0.044 0.000 1.164 124 G CA 1.378 46.511 45.100 0.055 0.000 0.768 124 G HN 0.377 nan 8.290 nan 0.000 0.560 125 M N 0.042 119.669 119.600 0.044 0.000 2.288 125 M HA 0.118 4.590 4.480 -0.013 0.000 0.266 125 M C 2.619 178.935 176.300 0.027 0.000 1.072 125 M CA 0.675 55.998 55.300 0.039 0.000 1.132 125 M CB -0.797 31.829 32.600 0.043 0.000 1.386 125 M HN 0.224 nan 8.290 nan 0.000 0.432 126 R N 0.233 120.744 120.500 0.018 0.000 2.091 126 R HA -0.098 4.235 4.340 -0.013 0.000 0.238 126 R C 2.228 178.540 176.300 0.021 0.000 1.136 126 R CA 1.178 57.286 56.100 0.012 0.000 0.959 126 R CB -0.568 29.733 30.300 0.001 0.000 0.856 126 R HN 0.349 nan 8.270 nan 0.000 0.437 127 L N 0.298 121.537 121.223 0.027 0.000 2.056 127 L HA -0.177 4.155 4.340 -0.013 0.000 0.207 127 L C 2.427 179.312 176.870 0.025 0.000 1.078 127 L CA 0.599 55.455 54.840 0.027 0.000 0.749 127 L CB -0.439 41.636 42.059 0.026 0.000 0.901 127 L HN 0.157 nan 8.230 nan 0.000 0.433 128 L N 0.258 121.498 121.223 0.027 0.000 2.079 128 L HA -0.250 4.082 4.340 -0.013 0.000 0.210 128 L C 2.208 179.095 176.870 0.029 0.000 1.081 128 L CA 1.758 56.615 54.840 0.029 0.000 0.752 128 L CB -0.956 41.124 42.059 0.035 0.000 0.896 128 L HN 0.309 nan 8.230 nan 0.000 0.433 129 N N -0.605 118.111 118.700 0.028 0.000 2.309 129 N HA -0.168 4.564 4.740 -0.013 0.000 0.182 129 N C 1.873 177.397 175.510 0.023 0.000 1.018 129 N CA 1.195 54.260 53.050 0.026 0.000 0.876 129 N CB 0.032 38.532 38.487 0.023 0.000 0.972 129 N HN 0.440 nan 8.380 nan 0.000 0.434 130 L N 0.177 121.414 121.223 0.023 0.000 2.056 130 L HA -0.115 4.217 4.340 -0.013 0.000 0.207 130 L C 2.324 179.208 176.870 0.022 0.000 1.078 130 L CA 1.100 55.953 54.840 0.023 0.000 0.749 130 L CB -0.645 41.429 42.059 0.025 0.000 0.901 130 L HN 0.124 nan 8.230 nan 0.000 0.433 131 T N -2.051 112.517 114.554 0.023 0.000 2.770 131 T HA -0.091 4.251 4.350 -0.013 0.000 0.263 131 T C 0.951 175.665 174.700 0.022 0.000 1.039 131 T CA 1.243 63.356 62.100 0.022 0.000 1.142 131 T CB 0.030 68.911 68.868 0.022 0.000 0.868 131 T HN 0.185 nan 8.240 nan 0.000 0.435 132 S N 0.342 116.057 115.700 0.024 0.000 2.446 132 S HA 0.344 4.806 4.470 -0.013 0.000 0.230 132 S C -2.575 172.041 174.600 0.028 0.000 1.051 132 S CA -1.147 57.068 58.200 0.025 0.000 1.113 132 S CB 1.246 64.462 63.200 0.027 0.000 1.184 132 S HN -0.121 nan 8.310 nan 0.000 0.435 133 P HA -0.101 nan 4.420 nan 0.000 0.217 133 P C 0.938 178.256 177.300 0.031 0.000 1.148 133 P CA 1.253 64.370 63.100 0.027 0.000 0.828 133 P CB 0.229 31.943 31.700 0.024 0.000 0.783 134 E N -0.168 120.050 120.200 0.029 0.000 2.051 134 E HA -0.121 4.221 4.350 -0.013 0.000 0.192 134 E C 2.198 178.819 176.600 0.036 0.000 0.991 134 E CA 1.591 58.009 56.400 0.031 0.000 0.799 134 E CB -1.292 28.424 29.700 0.027 0.000 0.748 134 E HN 0.148 nan 8.360 nan 0.000 0.449 135 A N 0.479 123.321 122.820 0.037 0.000 1.898 135 A HA -0.184 4.128 4.320 -0.013 0.000 0.216 135 A C 2.341 179.956 177.584 0.051 0.000 1.181 135 A CA 2.006 54.069 52.037 0.044 0.000 0.620 135 A CB -1.105 17.920 19.000 0.043 0.000 0.819 135 A HN 0.278 nan 8.150 nan 0.000 0.442 136 T N 0.688 115.270 114.554 0.047 0.000 2.607 136 T HA -0.157 4.185 4.350 -0.013 0.000 0.267 136 T C 2.229 176.962 174.700 0.055 0.000 1.049 136 T CA 2.048 64.179 62.100 0.051 0.000 1.162 136 T CB -0.640 68.253 68.868 0.043 0.000 0.863 136 T HN 0.631 nan 8.240 nan 0.000 0.424 137 A N 1.639 124.488 122.820 0.049 0.000 1.940 137 A HA -0.155 4.157 4.320 -0.013 0.000 0.219 137 A C 2.398 180.015 177.584 0.055 0.000 1.176 137 A CA 1.586 53.654 52.037 0.051 0.000 0.631 137 A CB -0.542 18.485 19.000 0.044 0.000 0.814 137 A HN 0.442 nan 8.150 nan 0.000 0.446 138 R N -0.858 119.673 120.500 0.051 0.000 2.092 138 R HA -0.055 4.277 4.340 -0.013 0.000 0.231 138 R C 2.015 178.349 176.300 0.057 0.000 1.119 138 R CA 1.332 57.462 56.100 0.050 0.000 0.970 138 R CB -0.495 29.832 30.300 0.045 0.000 0.864 138 R HN 0.404 nan 8.270 nan 0.000 0.440 139 V N 1.537 121.492 119.914 0.068 0.000 2.358 139 V HA -0.216 3.896 4.120 -0.013 0.000 0.246 139 V C 2.295 178.436 176.094 0.079 0.000 1.047 139 V CA 1.589 63.937 62.300 0.080 0.000 1.035 139 V CB -0.360 31.523 31.823 0.101 0.000 0.658 139 V HN 0.278 nan 8.190 nan 0.000 0.452 140 L N -0.410 120.863 121.223 0.083 0.000 2.046 140 L HA -0.202 4.130 4.340 -0.013 0.000 0.208 140 L C 2.559 179.489 176.870 0.100 0.000 1.077 140 L CA 1.688 56.587 54.840 0.098 0.000 0.747 140 L CB -0.622 41.495 42.059 0.097 0.000 0.896 140 L HN 0.382 nan 8.230 nan 0.000 0.432 141 E N 0.159 120.407 120.200 0.080 0.000 2.085 141 E HA -0.231 4.111 4.350 -0.013 0.000 0.194 141 E C 2.300 178.935 176.600 0.058 0.000 0.994 141 E CA 1.267 57.711 56.400 0.074 0.000 0.801 141 E CB -0.197 29.538 29.700 0.059 0.000 0.743 141 E HN 0.505 nan 8.360 nan 0.000 0.453 142 A N 1.081 123.927 122.820 0.043 0.000 1.877 142 A HA -0.164 4.148 4.320 -0.013 0.000 0.216 142 A C 2.573 180.161 177.584 0.006 0.000 1.186 142 A CA 1.725 53.772 52.037 0.017 0.000 0.620 142 A CB -0.992 18.010 19.000 0.003 0.000 0.822 142 A HN 0.245 nan 8.150 nan 0.000 0.443 143 V N -2.541 117.387 119.914 0.023 0.000 2.407 143 V HA -0.182 3.930 4.120 -0.013 0.000 0.248 143 V C 2.157 178.233 176.094 -0.030 0.000 1.055 143 V CA 2.760 65.061 62.300 0.003 0.000 1.049 143 V CB -1.861 29.987 31.823 0.042 0.000 0.662 143 V HN 0.415 nan 8.190 nan 0.000 0.455 144 T N 0.391 114.976 114.554 0.052 0.000 2.708 144 T HA -0.227 4.115 4.350 -0.013 0.000 0.266 144 T C 2.014 176.700 174.700 -0.023 0.000 1.037 144 T CA 2.318 64.472 62.100 0.089 0.000 1.146 144 T CB -0.381 68.640 68.868 0.255 0.000 0.865 144 T HN 0.668 nan 8.240 nan 0.000 0.435 145 Q N 0.294 120.101 119.800 0.011 0.000 2.096 145 Q HA -0.112 4.220 4.340 -0.013 0.000 0.204 145 Q C 2.629 178.609 176.000 -0.033 0.000 0.982 145 Q CA 1.644 57.448 55.803 0.001 0.000 0.850 145 Q CB -0.447 28.298 28.738 0.011 0.000 0.901 145 Q HN 0.441 nan 8.270 nan 0.000 0.422 146 T N 1.381 115.908 114.554 -0.044 0.000 2.708 146 T HA -0.095 4.247 4.350 -0.013 0.000 0.266 146 T C 1.873 176.572 174.700 -0.002 0.000 1.037 146 T CA 0.940 63.035 62.100 -0.007 0.000 1.146 146 T CB -0.189 68.673 68.868 -0.011 0.000 0.865 146 T HN 0.165 nan 8.240 nan 0.000 0.435 147 L N 1.284 122.367 121.223 -0.233 0.000 2.093 147 L HA -0.077 4.255 4.340 -0.013 0.000 0.208 147 L C 3.025 179.670 176.870 -0.375 0.000 1.085 147 L CA 1.493 56.061 54.840 -0.454 0.000 0.755 147 L CB -1.088 40.311 42.059 -1.100 0.000 0.904 147 L HN 0.444 nan 8.230 nan 0.000 0.435 148 T N -3.671 110.690 114.554 -0.322 0.000 2.929 148 T HA -0.165 4.177 4.350 -0.013 0.000 0.271 148 T C 1.732 176.440 174.700 0.013 0.000 1.085 148 T CA 0.658 62.744 62.100 -0.023 0.000 1.125 148 T CB -0.154 68.769 68.868 0.091 0.000 0.874 148 T HN 0.229 nan 8.240 nan 0.000 0.494 149 Q N 0.064 119.859 119.800 -0.009 0.000 2.369 149 Q HA 0.157 4.489 4.340 -0.013 0.000 0.206 149 Q C -0.127 175.737 176.000 -0.227 0.000 0.963 149 Q CA 0.557 56.296 55.803 -0.107 0.000 0.894 149 Q CB -0.395 28.244 28.738 -0.166 0.000 0.965 149 Q HN 0.675 nan 8.270 nan 0.000 0.475 150 Y N 1.240 121.490 120.300 -0.083 0.000 2.316 150 Y HA 0.131 4.673 4.550 -0.013 0.000 0.324 150 Y C -1.101 174.703 175.900 -0.161 0.000 1.267 150 Y CA -2.031 55.997 58.100 -0.119 0.000 1.311 150 Y CB 0.452 38.894 38.460 -0.031 0.000 1.267 150 Y HN -0.063 nan 8.280 nan 0.000 0.516 151 P HA -0.037 nan 4.420 nan 0.000 0.241 151 P C -0.484 176.681 177.300 -0.225 0.000 1.191 151 P CA 0.526 63.479 63.100 -0.246 0.000 0.771 151 P CB 0.007 31.537 31.700 -0.283 0.000 0.929 152 F N 1.272 121.266 119.950 0.073 0.000 2.490 152 F HA 0.131 4.651 4.527 -0.013 0.000 0.336 152 F C 1.363 177.223 175.800 0.100 0.000 1.178 152 F CA -0.601 57.443 58.000 0.073 0.000 1.301 152 F CB -0.328 38.697 39.000 0.041 0.000 1.175 152 F HN -0.219 nan 8.300 nan 0.000 0.593 153 D N 1.976 122.545 120.400 0.281 0.000 2.455 153 D HA -0.007 4.625 4.640 -0.013 0.000 0.234 153 D C -0.698 175.691 176.300 0.148 0.000 1.224 153 D CA -0.175 53.925 54.000 0.167 0.000 0.999 153 D CB -0.810 40.053 40.800 0.106 0.000 1.072 153 D HN 0.241 nan 8.370 nan 0.000 0.514 154 F N 3.695 123.673 119.950 0.045 0.000 2.504 154 F HA 0.247 4.766 4.527 -0.013 0.000 0.369 154 F C 0.704 176.483 175.800 -0.034 0.000 1.082 154 F CA -0.469 57.535 58.000 0.008 0.000 1.216 154 F CB 0.762 39.803 39.000 0.069 0.000 1.108 154 F HN 0.186 nan 8.300 nan 0.000 0.554 155 R N 4.127 124.262 120.500 -0.608 0.000 2.432 155 R HA 0.400 4.732 4.340 -0.013 0.000 0.260 155 R C 0.332 176.306 176.300 -0.543 0.000 0.935 155 R CA 0.244 56.047 56.100 -0.496 0.000 1.080 155 R CB -0.190 29.892 30.300 -0.364 0.000 1.155 155 R HN 0.901 nan 8.270 nan 0.000 0.531 156 G N 0.050 108.134 108.800 -1.194 0.000 2.428 156 G HA2 0.187 4.140 3.960 -0.013 0.000 0.681 156 G HA3 0.187 4.140 3.960 -0.013 0.000 0.681 156 G C -1.515 173.364 174.900 -0.035 0.000 1.340 156 G CA -0.556 44.147 45.100 -0.662 0.000 0.915 156 G HN 0.266 nan 8.290 nan 0.000 0.645 157 A N 1.442 124.388 122.820 0.210 0.000 2.287 157 A HA 0.934 5.247 4.320 -0.013 0.000 0.317 157 A C 0.208 177.910 177.584 0.197 0.000 1.220 157 A CA -0.540 51.678 52.037 0.302 0.000 0.835 157 A CB 0.982 20.186 19.000 0.340 0.000 1.180 157 A HN 0.778 nan 8.150 nan 0.000 0.500 158 R N 1.826 122.441 120.500 0.192 0.000 2.795 158 R HA 0.492 4.824 4.340 -0.013 0.000 0.275 158 R C -1.232 175.105 176.300 0.062 0.000 0.981 158 R CA -0.698 55.482 56.100 0.133 0.000 0.917 158 R CB 1.604 32.011 30.300 0.178 0.000 1.202 158 R HN 0.701 nan 8.270 nan 0.000 0.469 159 I N 3.031 123.618 120.570 0.029 0.000 2.337 159 I HA 0.122 4.284 4.170 -0.013 0.000 0.291 159 I C 0.134 176.208 176.117 -0.072 0.000 1.046 159 I CA -0.732 60.550 61.300 -0.029 0.000 1.324 159 I CB 0.577 38.572 38.000 -0.009 0.000 1.409 159 I HN 0.148 nan 8.210 nan 0.000 0.494 160 L N 6.034 127.140 121.223 -0.194 0.000 2.461 160 L HA 0.106 4.438 4.340 -0.013 0.000 0.272 160 L C 0.897 177.677 176.870 -0.151 0.000 1.197 160 L CA 0.534 55.244 54.840 -0.217 0.000 0.836 160 L CB 0.763 42.524 42.059 -0.497 0.000 1.105 160 L HN 0.732 nan 8.230 nan 0.000 0.477 161 S N 1.014 116.652 115.700 -0.103 0.000 2.600 161 S HA 0.254 4.716 4.470 -0.013 0.000 0.265 161 S C 1.356 175.866 174.600 -0.149 0.000 1.325 161 S CA -0.237 57.898 58.200 -0.109 0.000 1.002 161 S CB 0.929 64.072 63.200 -0.096 0.000 0.921 161 S HN 0.794 nan 8.310 nan 0.000 0.554 162 G N 0.755 109.466 108.800 -0.149 0.000 2.442 162 G HA2 -0.208 3.744 3.960 -0.013 0.000 0.219 162 G HA3 -0.208 3.744 3.960 -0.013 0.000 0.219 162 G C 1.269 176.053 174.900 -0.193 0.000 1.141 162 G CA 1.019 46.018 45.100 -0.169 0.000 0.763 162 G HN 0.732 nan 8.290 nan 0.000 0.554 163 Q N 0.490 120.162 119.800 -0.214 0.000 2.050 163 Q HA -0.044 4.288 4.340 -0.013 0.000 0.202 163 Q C 2.341 178.183 176.000 -0.265 0.000 0.980 163 Q CA 1.610 57.268 55.803 -0.241 0.000 0.840 163 Q CB -0.260 28.338 28.738 -0.233 0.000 0.898 163 Q HN 0.333 nan 8.270 nan 0.000 0.424 164 D N 0.332 120.581 120.400 -0.252 0.000 2.126 164 D HA -0.223 4.409 4.640 -0.013 0.000 0.190 164 D C 1.728 177.912 176.300 -0.192 0.000 1.001 164 D CA 1.380 55.193 54.000 -0.311 0.000 0.841 164 D CB -0.207 40.577 40.800 -0.027 0.000 0.949 164 D HN 0.372 nan 8.370 nan 0.000 0.446 165 E N -0.109 120.003 120.200 -0.146 0.000 2.077 165 E HA -0.132 4.210 4.350 -0.013 0.000 0.193 165 E C 2.120 178.792 176.600 0.119 0.000 0.989 165 E CA 1.297 57.642 56.400 -0.092 0.000 0.800 165 E CB -0.234 29.362 29.700 -0.172 0.000 0.746 165 E HN 0.285 nan 8.360 nan 0.000 0.452 166 G N 0.198 109.018 108.800 0.034 0.000 2.414 166 G HA2 -0.211 3.741 3.960 -0.013 0.000 0.215 166 G HA3 -0.211 3.741 3.960 -0.013 0.000 0.215 166 G C 1.650 176.624 174.900 0.125 0.000 1.188 166 G CA 0.866 46.028 45.100 0.103 0.000 0.783 166 G HN 0.219 nan 8.290 nan 0.000 0.537 167 V N 0.599 120.467 119.914 -0.075 0.000 2.295 167 V HA -0.105 4.007 4.120 -0.013 0.000 0.246 167 V C 2.565 178.728 176.094 0.115 0.000 1.049 167 V CA 1.458 63.697 62.300 -0.102 0.000 1.024 167 V CB -0.667 30.931 31.823 -0.375 0.000 0.648 167 V HN 0.264 nan 8.190 nan 0.000 0.447 168 F N 1.541 121.630 119.950 0.232 0.000 2.216 168 F HA -0.015 4.504 4.527 -0.012 0.000 0.300 168 F C 2.394 178.376 175.800 0.303 0.000 1.085 168 F CA 1.090 59.254 58.000 0.272 0.000 1.326 168 F CB -1.550 37.639 39.000 0.315 0.000 1.027 168 F HN 0.192 nan 8.300 nan 0.000 0.497 169 G N -1.201 107.928 108.800 0.549 0.000 2.418 169 G HA2 -0.325 3.627 3.960 -0.013 0.000 0.217 169 G HA3 -0.325 3.627 3.960 -0.013 0.000 0.217 169 G C 1.600 176.726 174.900 0.377 0.000 1.158 169 G CA 0.667 46.045 45.100 0.462 0.000 0.771 169 G HN 0.502 nan 8.290 nan 0.000 0.545 170 W N 1.036 122.476 121.300 0.234 0.000 2.355 170 W HA -0.110 4.542 4.660 -0.012 0.000 0.309 170 W C 2.505 179.115 176.519 0.152 0.000 1.206 170 W CA 1.882 59.328 57.345 0.168 0.000 1.284 170 W CB -0.308 29.231 29.460 0.131 0.000 1.145 170 W HN 0.038 nan 8.180 nan 0.000 0.502 171 V N 0.651 120.853 119.914 0.481 0.000 2.287 171 V HA -0.395 3.717 4.120 -0.013 0.000 0.248 171 V C 2.250 178.432 176.094 0.146 0.000 1.053 171 V CA 2.557 65.063 62.300 0.344 0.000 1.027 171 V CB -1.597 30.476 31.823 0.417 0.000 0.646 171 V HN 0.247 nan 8.190 nan 0.000 0.447 172 T N 0.403 115.013 114.554 0.093 0.000 2.635 172 T HA -0.254 4.088 4.350 -0.013 0.000 0.267 172 T C 2.057 176.704 174.700 -0.088 0.000 1.040 172 T CA 2.001 64.081 62.100 -0.034 0.000 1.156 172 T CB -0.543 68.265 68.868 -0.101 0.000 0.863 172 T HN 0.602 nan 8.240 nan 0.000 0.430 173 A N 2.296 125.011 122.820 -0.175 0.000 1.877 173 A HA -0.161 4.151 4.320 -0.013 0.000 0.216 173 A C 2.285 179.673 177.584 -0.326 0.000 1.186 173 A CA 1.614 53.502 52.037 -0.248 0.000 0.620 173 A CB -0.664 18.192 19.000 -0.240 0.000 0.822 173 A HN 0.462 nan 8.150 nan 0.000 0.443 174 N N -1.806 116.583 118.700 -0.518 0.000 2.270 174 N HA -0.144 4.588 4.740 -0.013 0.000 0.181 174 N C 1.660 176.725 175.510 -0.742 0.000 1.016 174 N CA 1.545 54.084 53.050 -0.852 0.000 0.870 174 N CB -0.398 37.189 38.487 -1.499 0.000 0.979 174 N HN 0.682 nan 8.380 nan 0.000 0.431 175 Y N 1.983 122.048 120.300 -0.392 0.000 2.145 175 Y HA -0.084 4.458 4.550 -0.014 0.000 0.286 175 Y C 2.283 178.088 175.900 -0.158 0.000 1.145 175 Y CA 1.323 59.363 58.100 -0.099 0.000 1.148 175 Y CB -0.376 38.124 38.460 0.066 0.000 0.981 175 Y HN -0.065 nan 8.280 nan 0.000 0.507 176 L N -0.337 120.885 121.223 -0.001 0.000 2.141 176 L HA -0.200 4.132 4.340 -0.013 0.000 0.209 176 L C 1.868 178.640 176.870 -0.163 0.000 1.094 176 L CA 1.037 55.842 54.840 -0.059 0.000 0.763 176 L CB -0.358 41.683 42.059 -0.029 0.000 0.908 176 L HN 0.287 nan 8.230 nan 0.000 0.437 177 L N -0.735 120.357 121.223 -0.218 0.000 2.611 177 L HA 0.058 4.391 4.340 -0.013 0.000 0.229 177 L C 0.344 177.084 176.870 -0.217 0.000 1.137 177 L CA 0.057 54.773 54.840 -0.206 0.000 0.901 177 L CB -0.193 41.738 42.059 -0.214 0.000 1.098 177 L HN 0.250 nan 8.230 nan 0.000 0.456 178 E N -0.340 119.692 120.200 -0.281 0.000 2.513 178 E HA -0.236 4.106 4.350 -0.013 0.000 0.257 178 E C 0.291 176.795 176.600 -0.160 0.000 1.098 178 E CA 0.178 56.438 56.400 -0.233 0.000 0.752 178 E CB -1.171 28.462 29.700 -0.111 0.000 1.324 178 E HN 0.475 nan 8.360 nan 0.000 0.403 179 N N -0.663 117.811 118.700 -0.377 0.000 2.515 179 N HA -0.014 4.719 4.740 -0.013 0.000 0.185 179 N C 0.723 176.100 175.510 -0.221 0.000 1.109 179 N CA 0.677 53.541 53.050 -0.310 0.000 0.903 179 N CB 0.033 38.206 38.487 -0.524 0.000 0.969 179 N HN 0.217 nan 8.380 nan 0.000 0.450 180 F N 0.569 120.459 119.950 -0.099 0.000 2.765 180 F HA 0.258 4.777 4.527 -0.013 0.000 0.302 180 F C 0.882 176.576 175.800 -0.176 0.000 1.111 180 F CA -0.763 57.197 58.000 -0.066 0.000 1.359 180 F CB -0.096 38.858 39.000 -0.077 0.000 1.097 180 F HN -0.143 nan 8.300 nan 0.000 0.577 181 I N 1.391 121.886 120.570 -0.126 0.000 2.648 181 I HA -0.076 4.086 4.170 -0.013 0.000 0.284 181 I C 0.701 176.606 176.117 -0.353 0.000 1.153 181 I CA -0.137 60.936 61.300 -0.378 0.000 1.426 181 I CB 0.379 37.930 38.000 -0.748 0.000 1.381 181 I HN -0.045 nan 8.210 nan 0.000 0.571 182 K N 7.209 127.440 120.400 -0.281 0.000 2.262 182 K HA 0.154 4.467 4.320 -0.013 0.000 0.288 182 K C -1.029 175.493 176.600 -0.131 0.000 1.090 182 K CA -0.067 56.062 56.287 -0.263 0.000 0.918 182 K CB -0.136 31.953 32.500 -0.685 0.000 1.139 182 K HN 0.196 nan 8.250 nan 0.000 0.462 183 Y N 2.719 123.100 120.300 0.135 0.000 2.346 183 Y HA 0.455 4.996 4.550 -0.014 0.000 0.330 183 Y C 1.471 177.564 175.900 0.322 0.000 1.178 183 Y CA 1.288 59.513 58.100 0.207 0.000 1.331 183 Y CB 1.356 39.883 38.460 0.111 0.000 1.253 183 Y HN 0.865 nan 8.280 nan 0.000 0.529 184 G N 1.212 110.258 108.800 0.410 0.000 2.342 184 G HA2 0.059 4.011 3.960 -0.013 0.000 0.220 184 G HA3 0.059 4.011 3.960 -0.013 0.000 0.220 184 G C -1.693 173.214 174.900 0.011 0.000 1.243 184 G CA -0.545 44.589 45.100 0.056 0.000 1.083 184 G HN 1.023 nan 8.290 nan 0.000 0.500 185 W N -2.501 118.280 121.300 -0.865 0.000 2.959 185 W HA 0.710 5.364 4.660 -0.011 0.000 0.358 185 W C -0.104 175.584 176.519 -1.386 0.000 1.228 185 W CA -0.827 55.979 57.345 -0.899 0.000 1.183 185 W CB 0.801 30.046 29.460 -0.359 0.000 1.467 185 W HN 1.215 nan 8.180 nan 0.000 0.578 186 V N 3.728 123.377 119.914 -0.443 0.000 2.584 186 V HA 0.332 4.444 4.120 -0.013 0.000 0.303 186 V C 1.171 177.081 176.094 -0.308 0.000 1.035 186 V CA 2.568 64.718 62.300 -0.251 0.000 1.172 186 V CB 0.297 32.169 31.823 0.083 0.000 0.896 186 V HN 1.950 nan 8.190 nan 0.000 0.486 187 G N 5.216 113.826 108.800 -0.316 0.000 2.205 187 G HA2 -0.294 3.659 3.960 -0.013 0.000 0.261 187 G HA3 -0.294 3.659 3.960 -0.013 0.000 0.261 187 G C 0.523 175.183 174.900 -0.400 0.000 0.980 187 G CA 0.493 45.466 45.100 -0.212 0.000 0.632 187 G HN 1.158 nan 8.290 nan 0.000 0.533 188 R N -0.460 119.524 120.500 -0.859 0.000 2.837 188 R HA 0.344 4.676 4.340 -0.013 0.000 0.245 188 R C -0.868 174.802 176.300 -1.050 0.000 1.712 188 R CA -0.764 54.797 56.100 -0.898 0.000 1.539 188 R CB -0.105 29.568 30.300 -1.044 0.000 1.490 188 R HN 0.219 nan 8.270 nan 0.000 0.667 189 W N 4.158 125.274 121.300 -0.307 0.000 2.316 189 W HA 0.313 4.966 4.660 -0.012 0.000 0.321 189 W C 1.136 177.548 176.519 -0.177 0.000 1.203 189 W CA -0.987 56.233 57.345 -0.208 0.000 1.214 189 W CB 0.640 30.032 29.460 -0.114 0.000 1.169 189 W HN 0.316 nan 8.180 nan 0.000 0.561 190 I N 1.226 121.875 120.570 0.131 0.000 2.648 190 I HA 0.359 4.521 4.170 -0.013 0.000 0.284 190 I C -0.201 175.964 176.117 0.079 0.000 1.153 190 I CA 0.033 61.369 61.300 0.060 0.000 1.426 190 I CB 0.495 38.539 38.000 0.073 0.000 1.381 190 I HN 0.454 nan 8.210 nan 0.000 0.571 191 R N 5.890 126.412 120.500 0.036 0.000 2.538 191 R HA 0.530 4.862 4.340 -0.013 0.000 0.292 191 R C -2.263 174.046 176.300 0.016 0.000 1.008 191 R CA -1.578 54.541 56.100 0.032 0.000 0.896 191 R CB 1.437 31.754 30.300 0.028 0.000 1.187 191 R HN 0.684 nan 8.270 nan 0.000 0.440 192 P HA 0.099 nan 4.420 nan 0.000 0.272 192 P C -0.553 176.768 177.300 0.035 0.000 1.240 192 P CA -0.674 62.438 63.100 0.020 0.000 0.791 192 P CB 0.729 32.439 31.700 0.017 0.000 0.978 193 R N 0.812 121.332 120.500 0.033 0.000 2.644 193 R HA -0.107 4.226 4.340 -0.013 0.000 0.265 193 R C 0.399 176.753 176.300 0.089 0.000 0.985 193 R CA -0.021 56.113 56.100 0.057 0.000 1.097 193 R CB 0.198 30.512 30.300 0.024 0.000 0.931 193 R HN 0.342 nan 8.270 nan 0.000 0.419 194 K N 2.476 122.959 120.400 0.139 0.000 2.530 194 K HA -0.026 4.286 4.320 -0.013 0.000 0.280 194 K C -0.263 176.400 176.600 0.105 0.000 1.004 194 K CA 1.054 57.406 56.287 0.108 0.000 1.071 194 K CB 0.360 32.983 32.500 0.205 0.000 0.876 194 K HN 0.668 nan 8.250 nan 0.000 0.487 195 G N 3.016 111.841 108.800 0.041 0.000 2.527 195 G HA2 0.299 4.251 3.960 -0.013 0.000 0.248 195 G HA3 0.299 4.251 3.960 -0.013 0.000 0.248 195 G C -0.438 174.477 174.900 0.025 0.000 1.231 195 G CA -0.138 44.993 45.100 0.052 0.000 0.838 195 G HN 0.821 nan 8.290 nan 0.000 0.570 196 T N -1.366 113.230 114.554 0.069 0.000 2.952 196 T HA 0.565 4.907 4.350 -0.013 0.000 0.286 196 T C -0.375 174.269 174.700 -0.093 0.000 1.024 196 T CA -0.875 61.196 62.100 -0.048 0.000 1.029 196 T CB 1.762 70.694 68.868 0.106 0.000 1.094 196 T HN 0.357 nan 8.240 nan 0.000 0.515 197 L N 2.239 123.310 121.223 -0.254 0.000 2.264 197 L HA 0.640 4.972 4.340 -0.013 0.000 0.289 197 L C 0.742 177.517 176.870 -0.158 0.000 1.044 197 L CA 0.035 54.737 54.840 -0.230 0.000 0.807 197 L CB 0.357 42.261 42.059 -0.259 0.000 1.192 197 L HN 1.038 nan 8.230 nan 0.000 0.425 198 G N 3.703 112.328 108.800 -0.292 0.000 2.594 198 G HA2 0.513 4.465 3.960 -0.013 0.000 0.243 198 G HA3 0.513 4.465 3.960 -0.013 0.000 0.243 198 G C -0.934 174.082 174.900 0.194 0.000 1.229 198 G CA 0.070 45.030 45.100 -0.233 0.000 0.843 198 G HN 1.005 nan 8.290 nan 0.000 0.578 199 A N 1.142 124.276 122.820 0.524 0.000 2.356 199 A HA 0.775 5.087 4.320 -0.013 0.000 0.310 199 A C -0.292 177.571 177.584 0.464 0.000 1.075 199 A CA -0.620 51.760 52.037 0.572 0.000 0.746 199 A CB 1.246 20.658 19.000 0.687 0.000 1.221 199 A HN 0.617 nan 8.150 nan 0.000 0.443 200 M N 2.244 121.973 119.600 0.214 0.000 2.197 200 M HA 0.325 4.798 4.480 -0.013 0.000 0.301 200 M C -1.620 174.572 176.300 -0.180 0.000 0.987 200 M CA -0.498 54.841 55.300 0.065 0.000 0.921 200 M CB 2.208 34.687 32.600 -0.202 0.000 1.569 200 M HN 0.750 nan 8.290 nan 0.000 0.431 201 D N 3.900 124.314 120.400 0.022 0.000 2.481 201 D HA 0.409 5.041 4.640 -0.013 0.000 0.246 201 D C -1.861 174.536 176.300 0.163 0.000 1.109 201 D CA -0.463 53.383 54.000 -0.258 0.000 0.845 201 D CB 1.615 42.353 40.800 -0.103 0.000 1.160 201 D HN 0.421 nan 8.370 nan 0.000 0.534 202 L N 4.843 126.059 121.223 -0.011 0.000 2.297 202 L HA 0.677 5.009 4.340 -0.013 0.000 0.277 202 L C 0.446 177.331 176.870 0.026 0.000 1.040 202 L CA -0.220 54.523 54.840 -0.161 0.000 0.867 202 L CB 0.789 42.357 42.059 -0.817 0.000 1.244 202 L HN 0.440 nan 8.230 nan 0.000 0.433 203 G N 2.221 111.108 108.800 0.144 0.000 2.510 203 G HA2 0.395 4.347 3.960 -0.013 0.000 0.280 203 G HA3 0.395 4.347 3.960 -0.013 0.000 0.280 203 G C 0.719 175.703 174.900 0.140 0.000 1.386 203 G CA -0.090 45.129 45.100 0.198 0.000 1.047 203 G HN 0.688 nan 8.290 nan 0.000 0.527 204 G N -1.392 107.498 108.800 0.150 0.000 2.494 204 G HA2 0.289 4.241 3.960 -0.013 0.000 0.216 204 G HA3 0.289 4.241 3.960 -0.013 0.000 0.216 204 G C 1.221 176.152 174.900 0.053 0.000 1.140 204 G CA 1.600 46.751 45.100 0.085 0.000 0.801 204 G HN 0.961 nan 8.290 nan 0.000 0.536 205 A N -0.533 122.340 122.820 0.088 0.000 2.312 205 A HA 0.597 4.909 4.320 -0.013 0.000 0.215 205 A C 0.993 178.645 177.584 0.112 0.000 1.256 205 A CA 1.058 53.136 52.037 0.069 0.000 0.966 205 A CB 0.399 19.438 19.000 0.065 0.000 1.053 205 A HN 0.734 nan 8.150 nan 0.000 0.510 206 S N -1.848 113.947 115.700 0.158 0.000 2.651 206 S HA 0.717 5.179 4.470 -0.013 0.000 0.279 206 S C -0.681 174.087 174.600 0.280 0.000 1.148 206 S CA -0.190 58.148 58.200 0.230 0.000 0.837 206 S CB 1.654 64.961 63.200 0.179 0.000 1.138 206 S HN 0.334 nan 8.310 nan 0.000 0.478 207 T N 0.650 115.441 114.554 0.395 0.000 2.893 207 T HA 0.666 5.008 4.350 -0.013 0.000 0.293 207 T C -1.783 173.201 174.700 0.474 0.000 1.027 207 T CA -0.346 62.019 62.100 0.442 0.000 0.988 207 T CB 1.604 70.802 68.868 0.550 0.000 1.043 207 T HN 0.658 nan 8.240 nan 0.000 0.461 208 Q N 2.240 122.285 119.800 0.408 0.000 2.345 208 Q HA 0.745 5.077 4.340 -0.013 0.000 0.268 208 Q C -1.039 175.185 176.000 0.373 0.000 1.054 208 Q CA -0.569 55.430 55.803 0.327 0.000 0.835 208 Q CB 2.675 31.543 28.738 0.218 0.000 1.339 208 Q HN 0.729 nan 8.270 nan 0.000 0.447 209 I N 0.385 121.143 120.570 0.313 0.000 2.533 209 I HA 0.692 4.855 4.170 -0.013 0.000 0.290 209 I C -1.446 174.864 176.117 0.322 0.000 1.056 209 I CA -0.190 61.286 61.300 0.295 0.000 1.057 209 I CB 1.830 39.832 38.000 0.003 0.000 1.240 209 I HN 0.535 nan 8.210 nan 0.000 0.423 210 T N 7.764 122.577 114.554 0.431 0.000 3.032 210 T HA 0.666 5.009 4.350 -0.013 0.000 0.312 210 T C -1.124 173.815 174.700 0.399 0.000 1.078 210 T CA -0.408 61.829 62.100 0.228 0.000 1.028 210 T CB 1.214 70.157 68.868 0.125 0.000 1.091 210 T HN 0.516 nan 8.240 nan 0.000 0.457 211 F N -0.591 119.342 119.950 -0.028 0.000 2.703 211 F HA 0.652 5.171 4.527 -0.013 0.000 0.308 211 F C -0.644 175.074 175.800 -0.136 0.000 1.126 211 F CA -1.367 56.598 58.000 -0.059 0.000 0.959 211 F CB 1.190 40.142 39.000 -0.080 0.000 1.297 211 F HN 0.501 nan 8.300 nan 0.000 0.441 212 E N 1.347 121.634 120.200 0.145 0.000 2.376 212 E HA 0.403 4.745 4.350 -0.013 0.000 0.266 212 E C -1.066 175.607 176.600 0.121 0.000 1.009 212 E CA 0.113 56.561 56.400 0.080 0.000 0.902 212 E CB 0.985 30.868 29.700 0.306 0.000 0.972 212 E HN 0.798 nan 8.360 nan 0.000 0.439 213 T N 1.753 116.295 114.554 -0.020 0.000 2.909 213 T HA 0.222 4.564 4.350 -0.013 0.000 0.299 213 T C 0.552 175.249 174.700 -0.005 0.000 1.073 213 T CA -0.152 61.959 62.100 0.019 0.000 0.999 213 T CB 1.479 70.289 68.868 -0.097 0.000 1.098 213 T HN 0.565 nan 8.240 nan 0.000 0.477 214 T N 0.298 114.868 114.554 0.026 0.000 3.086 214 T HA 0.279 4.621 4.350 -0.013 0.000 0.250 214 T C 0.744 175.459 174.700 0.025 0.000 1.074 214 T CA -0.192 61.916 62.100 0.014 0.000 0.988 214 T CB 0.019 68.899 68.868 0.021 0.000 0.988 214 T HN 0.387 nan 8.240 nan 0.000 0.530 215 S N 3.522 119.243 115.700 0.036 0.000 2.576 215 S HA 0.409 4.871 4.470 -0.013 0.000 0.276 215 S C -2.284 172.361 174.600 0.075 0.000 1.339 215 S CA -0.871 57.366 58.200 0.062 0.000 1.039 215 S CB 0.532 63.782 63.200 0.083 0.000 0.902 215 S HN 0.307 nan 8.310 nan 0.000 0.516 216 P HA 0.097 nan 4.420 nan 0.000 0.266 216 P C -0.534 176.793 177.300 0.044 0.000 1.195 216 P CA -0.129 62.999 63.100 0.047 0.000 0.768 216 P CB 0.423 32.136 31.700 0.022 0.000 0.838 217 S N 1.429 117.127 115.700 -0.003 0.000 2.528 217 S HA 0.080 4.542 4.470 -0.013 0.000 0.277 217 S C 0.662 175.074 174.600 -0.314 0.000 1.297 217 S CA -0.176 57.981 58.200 -0.072 0.000 1.052 217 S CB -0.022 63.171 63.200 -0.013 0.000 0.917 217 S HN 0.388 nan 8.310 nan 0.000 0.492 218 E N 2.063 121.768 120.200 -0.824 0.000 2.490 218 E HA 0.147 4.489 4.350 -0.013 0.000 0.209 218 E C -0.741 175.554 176.600 -0.510 0.000 0.971 218 E CA -0.044 55.877 56.400 -0.797 0.000 0.988 218 E CB 0.557 29.529 29.700 -1.214 0.000 1.029 218 E HN 0.600 nan 8.360 nan 0.000 0.496 219 D N 0.110 120.216 120.400 -0.489 0.000 2.736 219 D HA 0.142 4.774 4.640 -0.013 0.000 0.243 219 D C -2.221 174.014 176.300 -0.108 0.000 1.304 219 D CA -2.241 51.637 54.000 -0.204 0.000 0.934 219 D CB 1.937 42.564 40.800 -0.288 0.000 1.382 219 D HN -0.283 nan 8.370 nan 0.000 0.571 220 P HA -0.012 nan 4.420 nan 0.000 0.218 220 P C 1.359 178.622 177.300 -0.062 0.000 1.148 220 P CA 1.022 64.094 63.100 -0.047 0.000 0.822 220 P CB 0.266 31.949 31.700 -0.027 0.000 0.784 221 G N -0.766 108.001 108.800 -0.055 0.000 2.498 221 G HA2 -0.238 3.714 3.960 -0.013 0.000 0.219 221 G HA3 -0.238 3.714 3.960 -0.013 0.000 0.219 221 G C 1.170 175.991 174.900 -0.133 0.000 1.119 221 G CA 0.729 45.784 45.100 -0.075 0.000 0.766 221 G HN 0.357 nan 8.290 nan 0.000 0.552 222 N N -0.811 117.801 118.700 -0.146 0.000 2.236 222 N HA 0.150 4.882 4.740 -0.013 0.000 0.196 222 N C 0.372 175.693 175.510 -0.316 0.000 1.114 222 N CA -0.145 52.724 53.050 -0.302 0.000 0.859 222 N CB 0.653 38.992 38.487 -0.247 0.000 0.982 222 N HN 0.374 nan 8.380 nan 0.000 0.493 223 E N 1.412 121.499 120.200 -0.189 0.000 2.197 223 E HA 0.352 4.694 4.350 -0.013 0.000 0.281 223 E C -1.268 175.199 176.600 -0.223 0.000 0.995 223 E CA -0.475 55.817 56.400 -0.180 0.000 0.808 223 E CB 0.952 30.611 29.700 -0.069 0.000 1.093 223 E HN -0.196 nan 8.360 nan 0.000 0.394 224 V N 5.315 125.021 119.914 -0.347 0.000 2.638 224 V HA 0.307 4.419 4.120 -0.013 0.000 0.306 224 V C -0.820 175.033 176.094 -0.400 0.000 1.052 224 V CA -0.819 61.294 62.300 -0.311 0.000 0.885 224 V CB 1.835 33.438 31.823 -0.366 0.000 0.999 224 V HN 0.718 nan 8.190 nan 0.000 0.424 225 H N 5.299 124.337 119.070 -0.054 0.000 2.658 225 H HA 0.617 5.166 4.556 -0.012 0.000 0.337 225 H C -1.113 174.243 175.328 0.046 0.000 1.009 225 H CA -0.408 55.674 56.048 0.056 0.000 1.231 225 H CB 2.284 32.084 29.762 0.063 0.000 1.508 225 H HN 0.421 nan 8.280 nan 0.000 0.517 226 L N 2.577 123.936 121.223 0.227 0.000 2.346 226 L HA 0.500 4.832 4.340 -0.013 0.000 0.274 226 L C 0.186 177.202 176.870 0.244 0.000 1.007 226 L CA -0.952 53.989 54.840 0.169 0.000 0.818 226 L CB 2.153 44.295 42.059 0.138 0.000 1.284 226 L HN 0.261 nan 8.230 nan 0.000 0.424 227 R N 3.172 123.740 120.500 0.114 0.000 2.320 227 R HA 0.680 5.013 4.340 -0.013 0.000 0.319 227 R C -1.765 174.542 176.300 0.012 0.000 0.969 227 R CA -0.130 56.022 56.100 0.086 0.000 0.857 227 R CB 0.494 30.798 30.300 0.008 0.000 1.160 227 R HN 0.568 nan 8.270 nan 0.000 0.491 228 L N 5.630 126.889 121.223 0.060 0.000 2.406 228 L HA 0.434 4.766 4.340 -0.013 0.000 0.272 228 L C -0.576 176.323 176.870 0.047 0.000 0.980 228 L CA -1.171 53.577 54.840 -0.153 0.000 0.831 228 L CB 1.549 43.402 42.059 -0.343 0.000 1.253 228 L HN 0.671 nan 8.230 nan 0.000 0.406 229 Y N 2.352 122.664 120.300 0.019 0.000 3.225 229 Y HA -0.251 4.291 4.550 -0.014 0.000 0.211 229 Y C 1.481 177.436 175.900 0.092 0.000 1.223 229 Y CA 1.048 59.184 58.100 0.061 0.000 1.284 229 Y CB -1.890 36.620 38.460 0.082 0.000 1.367 229 Y HN 1.009 nan 8.280 nan 0.000 0.566 230 G N -1.889 107.003 108.800 0.154 0.000 2.176 230 G HA2 -0.261 3.691 3.960 -0.013 0.000 0.253 230 G HA3 -0.261 3.691 3.960 -0.013 0.000 0.253 230 G C 0.019 174.985 174.900 0.111 0.000 0.979 230 G CA 0.237 45.420 45.100 0.139 0.000 0.641 230 G HN 0.406 nan 8.290 nan 0.000 0.530 231 Q N 0.042 119.920 119.800 0.131 0.000 2.306 231 Q HA 0.422 4.754 4.340 -0.013 0.000 0.265 231 Q C -0.560 175.460 176.000 0.033 0.000 1.022 231 Q CA -0.644 55.178 55.803 0.032 0.000 0.853 231 Q CB 1.665 30.396 28.738 -0.012 0.000 1.327 231 Q HN 0.646 nan 8.270 nan 0.000 0.449 232 H N 1.899 120.849 119.070 -0.200 0.000 2.517 232 H HA 0.337 4.884 4.556 -0.016 0.000 0.317 232 H C -1.240 173.897 175.328 -0.319 0.000 1.080 232 H CA -0.392 55.576 56.048 -0.133 0.000 1.301 232 H CB 0.505 30.221 29.762 -0.077 0.000 1.425 232 H HN 0.484 nan 8.280 nan 0.000 0.471 233 Y N 4.192 124.519 120.300 0.045 0.000 2.328 233 Y HA 0.223 4.767 4.550 -0.010 0.000 0.336 233 Y C 0.303 176.055 175.900 -0.247 0.000 0.960 233 Y CA -0.864 57.184 58.100 -0.087 0.000 1.134 233 Y CB 1.201 39.754 38.460 0.154 0.000 1.166 233 Y HN 0.551 nan 8.280 nan 0.000 0.464 234 R N 3.037 123.361 120.500 -0.293 0.000 2.207 234 R HA 0.693 5.025 4.340 -0.013 0.000 0.334 234 R C -1.735 174.385 176.300 -0.301 0.000 1.013 234 R CA -0.307 55.599 56.100 -0.323 0.000 0.858 234 R CB 0.485 30.627 30.300 -0.265 0.000 1.094 234 R HN 0.572 nan 8.270 nan 0.000 0.457 235 V N 5.190 124.853 119.914 -0.419 0.000 2.823 235 V HA 0.318 4.430 4.120 -0.013 0.000 0.312 235 V C -1.185 174.640 176.094 -0.448 0.000 1.072 235 V CA -0.900 61.100 62.300 -0.500 0.000 0.937 235 V CB 1.787 33.162 31.823 -0.747 0.000 1.013 235 V HN 0.701 nan 8.190 nan 0.000 0.430 236 Y N 2.443 122.353 120.300 -0.650 0.000 2.387 236 Y HA 0.731 5.272 4.550 -0.015 0.000 0.336 236 Y C -0.054 175.535 175.900 -0.518 0.000 1.067 236 Y CA -0.001 57.736 58.100 -0.603 0.000 1.114 236 Y CB 1.994 39.918 38.460 -0.892 0.000 1.208 236 Y HN 0.667 nan 8.280 nan 0.000 0.458 237 T N 4.446 118.321 114.554 -1.131 0.000 2.923 237 T HA 0.422 4.764 4.350 -0.013 0.000 0.311 237 T C -2.423 171.778 174.700 -0.831 0.000 1.183 237 T CA -0.445 61.196 62.100 -0.764 0.000 1.020 237 T CB 0.784 69.394 68.868 -0.431 0.000 1.165 237 T HN 0.856 nan 8.240 nan 0.000 0.482 238 H N 0.734 119.482 119.070 -0.536 0.000 2.996 238 H HA 0.659 5.207 4.556 -0.013 0.000 0.368 238 H C -1.346 173.842 175.328 -0.234 0.000 1.185 238 H CA -0.379 55.404 56.048 -0.441 0.000 1.160 238 H CB 2.090 31.564 29.762 -0.480 0.000 1.820 238 H HN 0.530 nan 8.280 nan 0.000 0.547 239 S N 4.040 119.230 115.700 -0.849 0.000 2.498 239 S HA 0.424 4.886 4.470 -0.013 0.000 0.317 239 S C -1.385 172.907 174.600 -0.514 0.000 1.090 239 S CA -0.588 57.372 58.200 -0.401 0.000 1.089 239 S CB -0.015 63.031 63.200 -0.257 0.000 0.997 239 S HN 0.413 nan 8.310 nan 0.000 0.470 240 F N 5.014 125.011 119.950 0.077 0.000 2.334 240 F HA 0.379 4.899 4.527 -0.013 0.000 0.365 240 F C 0.261 176.225 175.800 0.272 0.000 1.124 240 F CA -0.741 57.368 58.000 0.182 0.000 1.166 240 F CB 0.733 39.849 39.000 0.193 0.000 1.355 240 F HN 0.440 nan 8.300 nan 0.000 0.532 241 L N 3.593 125.004 121.223 0.314 0.000 2.485 241 L HA 0.116 4.448 4.340 -0.013 0.000 0.275 241 L C 0.716 177.807 176.870 0.368 0.000 1.207 241 L CA 0.327 55.323 54.840 0.259 0.000 0.855 241 L CB 0.082 42.228 42.059 0.144 0.000 1.114 241 L HN 0.890 nan 8.230 nan 0.000 0.485 242 c N 2.766 121.497 118.600 0.220 0.000 4.933 242 c HA -0.213 4.349 4.570 -0.013 0.000 0.249 242 c C 0.793 174.844 174.090 -0.066 0.000 1.406 242 c CA 0.671 57.042 56.329 0.070 0.000 1.505 242 c CB -3.110 39.414 42.510 0.024 0.000 1.870 242 c HN 0.858 nan 8.230 nan 0.000 0.651 243 Y N 0.889 121.269 120.300 0.134 0.000 2.636 243 Y HA 0.445 4.987 4.550 -0.012 0.000 0.260 243 Y C 1.593 177.538 175.900 0.075 0.000 1.177 243 Y CA 0.552 58.725 58.100 0.121 0.000 1.209 243 Y CB -0.020 38.673 38.460 0.388 0.000 1.166 243 Y HN 0.461 nan 8.280 nan 0.000 0.531 244 G N 0.043 108.912 108.800 0.116 0.000 2.606 244 G HA2 0.077 4.029 3.960 -0.013 0.000 0.252 244 G HA3 0.077 4.029 3.960 -0.013 0.000 0.252 244 G C 1.033 175.864 174.900 -0.116 0.000 1.206 244 G CA -0.444 44.688 45.100 0.055 0.000 0.861 244 G HN 0.334 nan 8.290 nan 0.000 0.561 245 R N -0.382 120.066 120.500 -0.086 0.000 2.094 245 R HA -0.127 4.205 4.340 -0.013 0.000 0.239 245 R C 1.623 177.819 176.300 -0.173 0.000 1.137 245 R CA 2.139 58.147 56.100 -0.154 0.000 0.943 245 R CB -0.254 30.007 30.300 -0.064 0.000 0.850 245 R HN 0.628 nan 8.270 nan 0.000 0.433 246 D N -0.059 120.279 120.400 -0.105 0.000 2.144 246 D HA -0.135 4.497 4.640 -0.013 0.000 0.200 246 D C 2.062 178.284 176.300 -0.130 0.000 0.978 246 D CA 0.859 54.800 54.000 -0.099 0.000 0.833 246 D CB -0.067 40.701 40.800 -0.054 0.000 0.961 246 D HN 0.319 nan 8.370 nan 0.000 0.470 247 Q N 0.245 119.960 119.800 -0.141 0.000 2.123 247 Q HA -0.042 4.290 4.340 -0.013 0.000 0.199 247 Q C 2.368 178.205 176.000 -0.271 0.000 0.966 247 Q CA 0.337 56.038 55.803 -0.170 0.000 0.845 247 Q CB -0.026 28.634 28.738 -0.130 0.000 0.907 247 Q HN 0.329 nan 8.270 nan 0.000 0.439 248 I N 0.794 121.133 120.570 -0.384 0.000 2.226 248 I HA -0.223 3.939 4.170 -0.013 0.000 0.245 248 I C 2.334 178.243 176.117 -0.347 0.000 1.100 248 I CA 0.971 61.953 61.300 -0.529 0.000 1.374 248 I CB -0.928 36.499 38.000 -0.955 0.000 1.057 248 I HN 0.181 nan 8.210 nan 0.000 0.413 249 L N -0.424 120.646 121.223 -0.254 0.000 2.046 249 L HA -0.232 4.100 4.340 -0.013 0.000 0.208 249 L C 2.547 179.348 176.870 -0.114 0.000 1.077 249 L CA 0.855 55.614 54.840 -0.134 0.000 0.747 249 L CB -0.514 41.491 42.059 -0.089 0.000 0.896 249 L HN 0.194 nan 8.230 nan 0.000 0.432 250 L N -0.153 120.983 121.223 -0.145 0.000 2.046 250 L HA -0.191 4.141 4.340 -0.013 0.000 0.208 250 L C 2.732 179.477 176.870 -0.208 0.000 1.077 250 L CA 1.713 56.458 54.840 -0.158 0.000 0.747 250 L CB -0.407 41.562 42.059 -0.151 0.000 0.896 250 L HN 0.085 nan 8.230 nan 0.000 0.432 251 R N -1.153 119.212 120.500 -0.225 0.000 2.081 251 R HA -0.115 4.217 4.340 -0.013 0.000 0.235 251 R C 2.233 178.395 176.300 -0.231 0.000 1.131 251 R CA 1.418 57.378 56.100 -0.232 0.000 0.960 251 R CB -0.447 29.688 30.300 -0.275 0.000 0.856 251 R HN 0.334 nan 8.270 nan 0.000 0.436 252 L N 0.317 121.407 121.223 -0.222 0.000 2.093 252 L HA -0.172 4.160 4.340 -0.013 0.000 0.208 252 L C 2.331 178.983 176.870 -0.362 0.000 1.085 252 L CA 0.589 55.297 54.840 -0.220 0.000 0.755 252 L CB -0.405 41.594 42.059 -0.100 0.000 0.904 252 L HN 0.201 nan 8.230 nan 0.000 0.435 253 L N 0.315 121.359 121.223 -0.299 0.000 2.017 253 L HA -0.132 4.200 4.340 -0.013 0.000 0.208 253 L C 2.677 179.318 176.870 -0.382 0.000 1.073 253 L CA 2.059 56.661 54.840 -0.397 0.000 0.745 253 L CB -0.856 41.089 42.059 -0.191 0.000 0.894 253 L HN 0.134 nan 8.230 nan 0.000 0.432 254 A N -1.356 121.268 122.820 -0.327 0.000 1.892 254 A HA -0.296 4.016 4.320 -0.013 0.000 0.218 254 A C 2.554 180.031 177.584 -0.179 0.000 1.188 254 A CA 2.394 54.266 52.037 -0.274 0.000 0.631 254 A CB -1.367 17.482 19.000 -0.253 0.000 0.822 254 A HN 0.564 nan 8.150 nan 0.000 0.447 255 S N -0.808 114.760 115.700 -0.221 0.000 2.356 255 S HA -0.017 4.445 4.470 -0.013 0.000 0.223 255 S C 2.213 176.641 174.600 -0.287 0.000 1.032 255 S CA 1.561 59.632 58.200 -0.215 0.000 1.005 255 S CB -0.527 62.552 63.200 -0.201 0.000 0.867 255 S HN 0.859 nan 8.310 nan 0.000 0.449 256 A N 1.478 124.059 122.820 -0.398 0.000 1.908 256 A HA -0.014 4.298 4.320 -0.013 0.000 0.218 256 A C 2.209 179.577 177.584 -0.359 0.000 1.181 256 A CA 1.544 53.309 52.037 -0.453 0.000 0.627 256 A CB -0.905 17.571 19.000 -0.873 0.000 0.818 256 A HN 0.568 nan 8.150 nan 0.000 0.445 257 L N -1.096 119.947 121.223 -0.301 0.000 2.012 257 L HA -0.294 4.038 4.340 -0.013 0.000 0.210 257 L C 2.957 179.741 176.870 -0.142 0.000 1.073 257 L CA 2.133 56.868 54.840 -0.174 0.000 0.748 257 L CB -0.503 41.500 42.059 -0.093 0.000 0.891 257 L HN 0.610 nan 8.230 nan 0.000 0.431 258 Q N 0.142 119.858 119.800 -0.140 0.000 2.016 258 Q HA -0.188 4.144 4.340 -0.013 0.000 0.200 258 Q C 2.199 178.075 176.000 -0.207 0.000 0.978 258 Q CA 1.751 57.474 55.803 -0.133 0.000 0.833 258 Q CB 0.027 28.700 28.738 -0.108 0.000 0.895 258 Q HN 0.500 nan 8.270 nan 0.000 0.427 259 I N -0.935 119.438 120.570 -0.327 0.000 2.585 259 I HA -0.139 4.023 4.170 -0.013 0.000 0.254 259 I C 1.690 177.447 176.117 -0.600 0.000 1.129 259 I CA 0.588 61.591 61.300 -0.495 0.000 1.455 259 I CB 0.046 37.628 38.000 -0.697 0.000 1.111 259 I HN 0.303 nan 8.210 nan 0.000 0.433 260 H N 0.193 119.016 119.070 -0.412 0.000 2.926 260 H HA 0.303 4.851 4.556 -0.013 0.000 0.249 260 H C 0.466 175.482 175.328 -0.521 0.000 0.963 260 H CA -0.025 55.608 56.048 -0.691 0.000 1.158 260 H CB 0.571 29.453 29.762 -1.467 0.000 1.445 260 H HN 0.076 nan 8.280 nan 0.000 0.452 261 R N 0.194 120.561 120.500 -0.221 0.000 3.758 261 R HA -0.196 4.136 4.340 -0.013 0.000 0.299 261 R C -0.894 175.439 176.300 0.055 0.000 1.182 261 R CA 1.184 57.242 56.100 -0.071 0.000 0.809 261 R CB -2.498 27.807 30.300 0.008 0.000 1.249 261 R HN 0.250 nan 8.270 nan 0.000 0.497 262 F N -4.444 115.521 119.950 0.024 0.000 2.711 262 F HA 0.591 5.110 4.527 -0.013 0.000 0.313 262 F C -0.441 175.330 175.800 -0.048 0.000 1.141 262 F CA -1.655 56.349 58.000 0.007 0.000 0.941 262 F CB 1.030 40.037 39.000 0.011 0.000 1.349 262 F HN -0.126 nan 8.300 nan 0.000 0.464 263 H N 3.326 122.474 119.070 0.131 0.000 2.673 263 H HA 0.415 4.963 4.556 -0.013 0.000 0.293 263 H C -2.213 173.155 175.328 0.067 0.000 1.065 263 H CA -2.839 53.111 56.048 -0.165 0.000 1.236 263 H CB 2.001 31.311 29.762 -0.753 0.000 1.389 263 H HN 0.395 nan 8.280 nan 0.000 0.481 264 P HA -0.090 nan 4.420 nan 0.000 0.223 264 P C 1.052 178.460 177.300 0.181 0.000 1.151 264 P CA 0.659 63.917 63.100 0.263 0.000 0.787 264 P CB 0.236 32.015 31.700 0.131 0.000 0.788 265 c N -2.719 115.990 118.600 0.182 0.000 2.468 265 c HA 0.086 4.649 4.570 -0.013 0.000 0.277 265 c C 1.281 175.366 174.090 -0.007 0.000 1.400 265 c CA -0.532 55.808 56.329 0.017 0.000 1.770 265 c CB -1.573 40.921 42.510 -0.028 0.000 1.905 265 c HN 0.208 nan 8.230 nan 0.000 0.519 266 W N 2.066 123.192 121.300 -0.290 0.000 2.251 266 W HA 0.338 4.990 4.660 -0.013 0.000 0.329 266 W C -2.318 174.158 176.519 -0.071 0.000 1.234 266 W CA -2.848 54.344 57.345 -0.256 0.000 1.228 266 W CB -0.632 28.708 29.460 -0.200 0.000 1.135 266 W HN -0.024 nan 8.180 nan 0.000 0.576 267 P HA 0.055 nan 4.420 nan 0.000 0.275 267 P C -0.336 177.085 177.300 0.202 0.000 1.227 267 P CA -0.401 62.804 63.100 0.176 0.000 0.781 267 P CB 0.699 32.544 31.700 0.241 0.000 0.906 268 K N 1.710 122.213 120.400 0.171 0.000 2.466 268 K HA 0.170 4.482 4.320 -0.013 0.000 0.278 268 K C 1.179 177.897 176.600 0.198 0.000 1.048 268 K CA 1.314 57.686 56.287 0.142 0.000 1.088 268 K CB -0.846 31.709 32.500 0.092 0.000 0.884 268 K HN 0.824 nan 8.250 nan 0.000 0.478 269 G N 3.107 112.003 108.800 0.160 0.000 2.195 269 G HA2 -0.297 3.656 3.960 -0.013 0.000 0.224 269 G HA3 -0.297 3.656 3.960 -0.013 0.000 0.224 269 G C -0.590 174.390 174.900 0.134 0.000 0.990 269 G CA 0.137 45.350 45.100 0.189 0.000 0.639 269 G HN 0.666 nan 8.290 nan 0.000 0.514 270 Y N 2.654 122.840 120.300 -0.189 0.000 2.313 270 Y HA 0.591 5.133 4.550 -0.013 0.000 0.332 270 Y C 0.373 176.076 175.900 -0.329 0.000 1.071 270 Y CA -0.255 57.444 58.100 -0.669 0.000 1.169 270 Y CB 1.423 39.191 38.460 -1.154 0.000 1.192 270 Y HN 0.695 nan 8.280 nan 0.000 0.487 271 S N 3.702 118.777 115.700 -1.042 0.000 2.579 271 S HA 0.767 5.229 4.470 -0.013 0.000 0.272 271 S C -0.898 173.179 174.600 -0.871 0.000 1.141 271 S CA -0.754 57.030 58.200 -0.694 0.000 0.843 271 S CB 2.027 65.085 63.200 -0.237 0.000 1.122 271 S HN 0.780 nan 8.310 nan 0.000 0.468 272 T N 0.619 114.891 114.554 -0.470 0.000 2.853 272 T HA 0.465 4.807 4.350 -0.013 0.000 0.311 272 T C -1.955 172.694 174.700 -0.085 0.000 1.307 272 T CA -0.514 61.391 62.100 -0.325 0.000 1.019 272 T CB 1.728 70.370 68.868 -0.375 0.000 1.264 272 T HN 0.593 nan 8.240 nan 0.000 0.497 273 Q N 2.407 122.170 119.800 -0.062 0.000 2.337 273 Q HA 0.386 4.718 4.340 -0.013 0.000 0.255 273 Q C -0.511 175.501 176.000 0.020 0.000 0.997 273 Q CA -0.165 55.632 55.803 -0.011 0.000 0.925 273 Q CB 1.111 29.837 28.738 -0.018 0.000 1.212 273 Q HN 0.474 nan 8.270 nan 0.000 0.436 274 V N 4.393 124.336 119.914 0.050 0.000 2.406 274 V HA 0.153 4.265 4.120 -0.013 0.000 0.272 274 V C 0.117 176.231 176.094 0.033 0.000 1.043 274 V CA -0.747 61.589 62.300 0.059 0.000 0.915 274 V CB 1.137 33.008 31.823 0.080 0.000 0.988 274 V HN 0.582 nan 8.190 nan 0.000 0.466 275 L N 5.985 127.221 121.223 0.022 0.000 2.283 275 L HA 0.319 4.651 4.340 -0.013 0.000 0.287 275 L C 0.972 177.856 176.870 0.022 0.000 1.073 275 L CA 0.504 55.356 54.840 0.021 0.000 0.822 275 L CB 0.554 42.621 42.059 0.014 0.000 1.186 275 L HN 0.587 nan 8.230 nan 0.000 0.436 276 L N 3.239 124.495 121.223 0.055 0.000 2.131 276 L HA -0.182 4.150 4.340 -0.013 0.000 0.210 276 L C 2.261 179.217 176.870 0.144 0.000 1.092 276 L CA 1.211 56.120 54.840 0.115 0.000 0.759 276 L CB -0.390 41.786 42.059 0.195 0.000 0.903 276 L HN 0.868 nan 8.230 nan 0.000 0.435 277 Q N 0.832 120.687 119.800 0.093 0.000 2.112 277 Q HA -0.262 4.070 4.340 -0.013 0.000 0.206 277 Q C 1.849 177.876 176.000 0.045 0.000 0.987 277 Q CA 2.060 57.910 55.803 0.077 0.000 0.858 277 Q CB -0.001 28.764 28.738 0.045 0.000 0.905 277 Q HN 0.585 nan 8.270 nan 0.000 0.420 278 E N -0.317 119.886 120.200 0.006 0.000 2.107 278 E HA -0.118 4.224 4.350 -0.013 0.000 0.191 278 E C 2.169 178.720 176.600 -0.081 0.000 0.982 278 E CA 1.176 57.560 56.400 -0.026 0.000 0.809 278 E CB 0.100 29.784 29.700 -0.027 0.000 0.756 278 E HN 0.236 nan 8.360 nan 0.000 0.459 279 V N 0.543 120.363 119.914 -0.157 0.000 2.343 279 V HA -0.237 3.875 4.120 -0.013 0.000 0.247 279 V C 1.466 177.295 176.094 -0.442 0.000 1.051 279 V CA 1.682 63.752 62.300 -0.384 0.000 1.036 279 V CB -0.480 30.950 31.823 -0.655 0.000 0.654 279 V HN 0.268 nan 8.190 nan 0.000 0.451 280 Y N 0.338 120.618 120.300 -0.033 0.000 2.458 280 Y HA 0.105 4.647 4.550 -0.013 0.000 0.256 280 Y C 2.360 178.244 175.900 -0.027 0.000 1.159 280 Y CA 0.040 58.119 58.100 -0.035 0.000 1.261 280 Y CB -0.357 38.081 38.460 -0.035 0.000 1.119 280 Y HN 0.425 nan 8.280 nan 0.000 0.524 281 Q N -0.570 119.271 119.800 0.068 0.000 2.378 281 Q HA 0.004 4.336 4.340 -0.013 0.000 0.205 281 Q C 0.983 176.997 176.000 0.024 0.000 0.954 281 Q CA 0.544 56.374 55.803 0.045 0.000 0.901 281 Q CB 0.022 28.776 28.738 0.025 0.000 0.981 281 Q HN 0.209 nan 8.270 nan 0.000 0.483 282 S N 1.477 117.180 115.700 0.005 0.000 2.565 282 S HA 0.160 4.622 4.470 -0.013 0.000 0.276 282 S C -1.829 172.776 174.600 0.009 0.000 1.326 282 S CA -1.490 56.707 58.200 -0.005 0.000 1.045 282 S CB 1.001 64.181 63.200 -0.034 0.000 0.918 282 S HN 0.009 nan 8.310 nan 0.000 0.505 283 P HA -0.030 nan 4.420 nan 0.000 0.219 283 P C 0.947 178.255 177.300 0.014 0.000 1.146 283 P CA 0.934 64.045 63.100 0.019 0.000 0.808 283 P CB -0.066 31.648 31.700 0.024 0.000 0.779 284 c N -1.902 116.693 118.600 -0.008 0.000 2.448 284 c HA -0.002 4.560 4.570 -0.013 0.000 0.280 284 c C 2.228 176.290 174.090 -0.047 0.000 1.398 284 c CA 1.677 57.986 56.329 -0.034 0.000 1.774 284 c CB -1.750 40.715 42.510 -0.075 0.000 1.888 284 c HN 0.360 nan 8.230 nan 0.000 0.519 285 T N -3.939 110.601 114.554 -0.024 0.000 3.004 285 T HA 0.212 4.554 4.350 -0.013 0.000 0.266 285 T C 1.402 176.164 174.700 0.102 0.000 0.986 285 T CA -0.030 62.070 62.100 -0.001 0.000 0.902 285 T CB -0.355 68.469 68.868 -0.073 0.000 1.118 285 T HN 0.281 nan 8.240 nan 0.000 0.522 286 M N 1.627 121.274 119.600 0.079 0.000 2.144 286 M HA -0.013 4.459 4.480 -0.013 0.000 0.260 286 M C 2.548 178.880 176.300 0.054 0.000 1.067 286 M CA 2.030 57.379 55.300 0.082 0.000 1.095 286 M CB -0.559 32.069 32.600 0.045 0.000 1.365 286 M HN 0.557 nan 8.290 nan 0.000 0.406 287 G N -0.564 108.261 108.800 0.041 0.000 2.443 287 G HA2 -0.114 3.838 3.960 -0.013 0.000 0.219 287 G HA3 -0.114 3.838 3.960 -0.013 0.000 0.219 287 G C 0.779 175.689 174.900 0.018 0.000 1.131 287 G CA 0.240 45.354 45.100 0.022 0.000 0.775 287 G HN 0.430 nan 8.290 nan 0.000 0.547 297 A N 1.030 123.863 122.820 0.020 0.000 1.935 297 A HA 0.489 4.801 4.320 -0.013 0.000 0.214 297 A C 0.577 178.180 177.584 0.031 0.000 1.178 297 A CA 0.926 52.979 52.037 0.026 0.000 0.640 297 A CB 0.020 19.031 19.000 0.019 0.000 0.825 297 A HN 0.501 nan 8.150 nan 0.000 0.447 298 I N 0.401 120.987 120.570 0.025 0.000 2.533 298 I HA 0.436 4.598 4.170 -0.013 0.000 0.290 298 I C -0.946 175.187 176.117 0.026 0.000 1.056 298 I CA -1.072 60.243 61.300 0.025 0.000 1.057 298 I CB 2.406 40.416 38.000 0.017 0.000 1.240 298 I HN 0.071 nan 8.210 nan 0.000 0.423 299 V N 1.682 121.615 119.914 0.032 0.000 2.680 299 V HA 0.619 4.731 4.120 -0.013 0.000 0.309 299 V C -0.101 176.016 176.094 0.038 0.000 1.052 299 V CA -0.454 61.865 62.300 0.033 0.000 0.908 299 V CB 1.737 33.582 31.823 0.035 0.000 1.001 299 V HN 0.686 nan 8.190 nan 0.000 0.431 300 S N 4.715 120.436 115.700 0.035 0.000 2.548 300 S HA 0.713 5.175 4.470 -0.013 0.000 0.277 300 S C -0.472 174.172 174.600 0.073 0.000 1.315 300 S CA -0.252 57.972 58.200 0.039 0.000 1.050 300 S CB 0.922 64.136 63.200 0.023 0.000 0.918 300 S HN 0.909 nan 8.310 nan 0.000 0.497 301 L N 2.874 124.169 121.223 0.122 0.000 2.436 301 L HA 0.589 4.921 4.340 -0.013 0.000 0.268 301 L C -0.686 176.361 176.870 0.295 0.000 0.974 301 L CA 0.054 55.011 54.840 0.194 0.000 0.826 301 L CB 2.048 44.225 42.059 0.196 0.000 1.291 301 L HN 0.626 nan 8.230 nan 0.000 0.406 302 S N 1.986 117.849 115.700 0.270 0.000 2.568 302 S HA 0.854 5.316 4.470 -0.013 0.000 0.302 302 S C -0.041 174.794 174.600 0.391 0.000 1.082 302 S CA -0.327 58.033 58.200 0.267 0.000 1.009 302 S CB 1.719 64.999 63.200 0.133 0.000 1.069 302 S HN 0.915 nan 8.310 nan 0.000 0.500 303 G N 0.249 109.296 108.800 0.412 0.000 2.507 303 G HA2 0.443 4.395 3.960 -0.013 0.000 0.271 303 G HA3 0.443 4.395 3.960 -0.013 0.000 0.271 303 G C 0.622 175.641 174.900 0.198 0.000 1.189 303 G CA -0.146 45.191 45.100 0.395 0.000 0.859 303 G HN 0.767 nan 8.290 nan 0.000 0.542 304 T N -3.502 111.140 114.554 0.147 0.000 3.087 304 T HA 0.245 4.587 4.350 -0.013 0.000 0.283 304 T C 0.815 175.526 174.700 0.018 0.000 0.956 304 T CA 0.768 62.864 62.100 -0.007 0.000 0.894 304 T CB 0.060 68.771 68.868 -0.262 0.000 1.160 304 T HN 0.991 nan 8.240 nan 0.000 0.532 305 S N 2.237 117.986 115.700 0.082 0.000 3.608 305 S HA -0.143 4.319 4.470 -0.013 0.000 0.382 305 S C -0.191 174.435 174.600 0.042 0.000 0.945 305 S CA 0.390 58.633 58.200 0.072 0.000 1.256 305 S CB -1.852 61.390 63.200 0.070 0.000 0.913 305 S HN 0.772 nan 8.310 nan 0.000 0.518 306 N N 0.544 119.273 118.700 0.048 0.000 2.707 306 N HA 0.586 5.318 4.740 -0.013 0.000 0.235 306 N C 0.777 176.316 175.510 0.048 0.000 1.028 306 N CA 0.241 53.310 53.050 0.032 0.000 0.906 306 N CB 0.981 39.483 38.487 0.025 0.000 1.131 306 N HN 0.366 nan 8.380 nan 0.000 0.509 307 A N 2.480 125.323 122.820 0.038 0.000 1.908 307 A HA -0.137 4.175 4.320 -0.013 0.000 0.218 307 A C 1.922 179.529 177.584 0.039 0.000 1.181 307 A CA 1.924 53.984 52.037 0.038 0.000 0.627 307 A CB -0.546 18.467 19.000 0.022 0.000 0.818 307 A HN 0.598 nan 8.150 nan 0.000 0.445 308 T N 0.235 114.810 114.554 0.034 0.000 2.737 308 T HA -0.035 4.308 4.350 -0.013 0.000 0.265 308 T C 1.816 176.549 174.700 0.056 0.000 1.038 308 T CA 1.302 63.425 62.100 0.038 0.000 1.144 308 T CB -0.320 68.567 68.868 0.032 0.000 0.866 308 T HN 0.348 nan 8.240 nan 0.000 0.434 309 L N 0.505 121.764 121.223 0.061 0.000 2.083 309 L HA -0.111 4.222 4.340 -0.013 0.000 0.209 309 L C 2.954 179.876 176.870 0.086 0.000 1.083 309 L CA 0.801 55.687 54.840 0.077 0.000 0.752 309 L CB -0.577 41.508 42.059 0.043 0.000 0.899 309 L HN 0.449 nan 8.230 nan 0.000 0.433 310 c N 0.273 118.922 118.600 0.082 0.000 2.413 310 c HA -0.214 4.348 4.570 -0.013 0.000 0.276 310 c C 3.122 177.268 174.090 0.093 0.000 1.236 310 c CA 1.225 57.611 56.329 0.094 0.000 1.735 310 c CB -0.755 41.810 42.510 0.091 0.000 2.031 310 c HN 0.490 nan 8.230 nan 0.000 0.474 311 R N 0.334 120.883 120.500 0.081 0.000 2.083 311 R HA -0.153 4.179 4.340 -0.013 0.000 0.237 311 R C 1.819 178.174 176.300 0.091 0.000 1.137 311 R CA 2.484 58.635 56.100 0.084 0.000 0.951 311 R CB -0.625 29.711 30.300 0.060 0.000 0.851 311 R HN 0.552 nan 8.270 nan 0.000 0.434 312 D N 0.653 121.103 120.400 0.083 0.000 2.123 312 D HA -0.180 4.452 4.640 -0.013 0.000 0.196 312 D C 1.877 178.223 176.300 0.078 0.000 0.992 312 D CA 0.867 54.916 54.000 0.081 0.000 0.833 312 D CB -0.263 40.589 40.800 0.087 0.000 0.954 312 D HN 0.161 nan 8.370 nan 0.000 0.455 313 L N 0.512 121.785 121.223 0.082 0.000 2.017 313 L HA -0.146 4.186 4.340 -0.013 0.000 0.208 313 L C 2.359 179.251 176.870 0.037 0.000 1.073 313 L CA 1.216 56.083 54.840 0.045 0.000 0.745 313 L CB -0.449 41.635 42.059 0.042 0.000 0.894 313 L HN -0.104 nan 8.230 nan 0.000 0.432 314 V N -0.532 119.434 119.914 0.086 0.000 2.407 314 V HA -0.278 3.834 4.120 -0.013 0.000 0.248 314 V C 2.707 178.913 176.094 0.188 0.000 1.055 314 V CA 1.708 64.091 62.300 0.138 0.000 1.049 314 V CB -0.924 31.028 31.823 0.214 0.000 0.662 314 V HN 0.751 nan 8.190 nan 0.000 0.455 315 S N 0.582 116.392 115.700 0.185 0.000 2.442 315 S HA -0.220 4.243 4.470 -0.013 0.000 0.236 315 S C 1.954 176.665 174.600 0.184 0.000 1.007 315 S CA 1.220 59.562 58.200 0.237 0.000 0.965 315 S CB -0.538 62.743 63.200 0.135 0.000 0.773 315 S HN 0.625 nan 8.310 nan 0.000 0.504 316 R N 0.597 121.141 120.500 0.073 0.000 2.285 316 R HA 0.234 4.566 4.340 -0.013 0.000 0.213 316 R C 1.792 178.067 176.300 -0.043 0.000 1.068 316 R CA 0.845 56.958 56.100 0.020 0.000 1.004 316 R CB -0.534 29.756 30.300 -0.017 0.000 0.873 316 R HN 0.447 nan 8.270 nan 0.000 0.467 317 L N -0.224 120.899 121.223 -0.167 0.000 2.376 317 L HA -0.003 4.329 4.340 -0.013 0.000 0.219 317 L C -0.050 176.552 176.870 -0.447 0.000 1.133 317 L CA 0.570 55.168 54.840 -0.404 0.000 0.816 317 L CB 0.035 41.685 42.059 -0.683 0.000 0.933 317 L HN -0.001 nan 8.230 nan 0.000 0.449 318 F N -0.247 119.724 119.950 0.036 0.000 2.402 318 F HA 0.306 4.825 4.527 -0.013 0.000 0.355 318 F C 0.387 176.242 175.800 0.092 0.000 1.123 318 F CA -1.098 56.873 58.000 -0.047 0.000 1.021 318 F CB 0.509 39.309 39.000 -0.333 0.000 1.160 318 F HN -0.171 nan 8.300 nan 0.000 0.451 319 N N 4.965 123.873 118.700 0.347 0.000 2.414 319 N HA 0.235 4.967 4.740 -0.013 0.000 0.256 319 N C 0.212 175.891 175.510 0.282 0.000 1.029 319 N CA -0.244 52.964 53.050 0.262 0.000 0.948 319 N CB 0.783 39.408 38.487 0.230 0.000 1.102 319 N HN 0.754 nan 8.380 nan 0.000 0.496 320 I N 0.921 121.621 120.570 0.215 0.000 3.927 320 I HA 0.192 4.354 4.170 -0.013 0.000 0.332 320 I C 1.018 177.220 176.117 0.142 0.000 1.485 320 I CA -0.288 61.130 61.300 0.198 0.000 1.131 320 I CB 0.038 38.142 38.000 0.174 0.000 1.092 320 I HN 0.280 nan 8.210 nan 0.000 0.410 321 S N -0.232 115.544 115.700 0.128 0.000 2.453 321 S HA 0.070 4.533 4.470 -0.013 0.000 0.231 321 S C 0.867 175.517 174.600 0.083 0.000 1.005 321 S CA 0.237 58.493 58.200 0.092 0.000 0.949 321 S CB -0.172 63.077 63.200 0.081 0.000 0.774 321 S HN 0.492 nan 8.310 nan 0.000 0.510 322 S N -1.006 114.754 115.700 0.100 0.000 2.533 322 S HA 0.579 5.041 4.470 -0.013 0.000 0.271 322 S C -1.778 172.884 174.600 0.103 0.000 1.143 322 S CA -0.608 57.642 58.200 0.082 0.000 0.891 322 S CB 1.770 65.010 63.200 0.066 0.000 1.105 322 S HN 0.549 nan 8.310 nan 0.000 0.468 323 c N 6.694 125.342 118.600 0.079 0.000 2.789 323 c HA 0.636 5.198 4.570 -0.013 0.000 0.367 323 c C -2.009 172.091 174.090 0.017 0.000 1.062 323 c CA -1.206 55.190 56.329 0.112 0.000 1.297 323 c CB 1.165 43.771 42.510 0.160 0.000 1.794 323 c HN 0.837 nan 8.230 nan 0.000 0.474 324 P HA 0.194 nan 4.420 nan 0.000 0.249 324 P C -0.085 176.885 177.300 -0.550 0.000 1.229 324 P CA 0.456 63.336 63.100 -0.368 0.000 0.788 324 P CB 0.011 31.395 31.700 -0.527 0.000 1.072 325 F N 0.223 120.216 119.950 0.071 0.000 2.585 325 F HA 0.281 4.799 4.527 -0.015 0.000 0.350 325 F C 2.240 178.097 175.800 0.095 0.000 1.074 325 F CA -0.662 57.389 58.000 0.084 0.000 1.032 325 F CB 0.181 39.309 39.000 0.214 0.000 1.330 325 F HN -0.333 nan 8.300 nan 0.000 0.495 326 S N -0.864 115.032 115.700 0.327 0.000 2.423 326 S HA -0.043 4.419 4.470 -0.013 0.000 0.231 326 S C 0.297 175.014 174.600 0.194 0.000 1.014 326 S CA 0.751 59.072 58.200 0.202 0.000 0.965 326 S CB -0.159 63.138 63.200 0.162 0.000 0.785 326 S HN 0.672 nan 8.310 nan 0.000 0.495 327 Q N -1.123 118.846 119.800 0.283 0.000 2.352 327 Q HA 0.552 4.884 4.340 -0.013 0.000 0.270 327 Q C -2.158 173.949 176.000 0.178 0.000 1.006 327 Q CA -0.823 55.073 55.803 0.155 0.000 0.880 327 Q CB 1.910 30.685 28.738 0.063 0.000 1.392 327 Q HN 0.416 nan 8.270 nan 0.000 0.401 328 c N 1.175 119.859 118.600 0.141 0.000 2.848 328 c HA 0.610 5.172 4.570 -0.013 0.000 0.317 328 c C 1.443 175.671 174.090 0.231 0.000 1.260 328 c CA -0.018 56.410 56.329 0.165 0.000 1.656 328 c CB 1.916 44.577 42.510 0.252 0.000 2.174 328 c HN 1.089 nan 8.230 nan 0.000 0.479 329 S N 1.198 117.013 115.700 0.193 0.000 2.315 329 S HA 0.380 4.843 4.470 -0.013 0.000 0.196 329 S C -0.040 174.798 174.600 0.396 0.000 1.045 329 S CA 0.746 59.121 58.200 0.291 0.000 1.055 329 S CB -0.318 63.054 63.200 0.287 0.000 0.963 329 S HN 0.957 nan 8.310 nan 0.000 0.439 330 F N -1.518 118.540 119.950 0.180 0.000 2.745 330 F HA 0.659 5.178 4.527 -0.012 0.000 0.316 330 F C -0.780 175.154 175.800 0.224 0.000 1.155 330 F CA -1.116 56.977 58.000 0.154 0.000 0.937 330 F CB 0.133 39.179 39.000 0.077 0.000 1.361 330 F HN 0.146 nan 8.300 nan 0.000 0.472 331 N N 0.418 119.321 118.700 0.338 0.000 2.708 331 N HA -0.138 4.594 4.740 -0.013 0.000 0.249 331 N C 0.920 176.540 175.510 0.183 0.000 1.097 331 N CA 1.598 54.798 53.050 0.250 0.000 0.710 331 N CB -1.462 37.178 38.487 0.254 0.000 1.032 331 N HN 1.851 nan 8.380 nan 0.000 0.551 332 G N -2.445 106.472 108.800 0.196 0.000 2.203 332 G HA2 -0.323 3.629 3.960 -0.013 0.000 0.263 332 G HA3 -0.323 3.629 3.960 -0.013 0.000 0.263 332 G C 0.068 175.138 174.900 0.284 0.000 1.012 332 G CA 0.410 45.640 45.100 0.217 0.000 0.749 332 G HN 0.518 nan 8.290 nan 0.000 0.512 333 V N 1.238 121.242 119.914 0.150 0.000 2.461 333 V HA 0.504 4.616 4.120 -0.013 0.000 0.275 333 V C 0.801 176.900 176.094 0.008 0.000 1.047 333 V CA -0.850 61.439 62.300 -0.019 0.000 0.955 333 V CB 0.974 32.562 31.823 -0.392 0.000 0.988 333 V HN 0.409 nan 8.190 nan 0.000 0.471 334 F N 5.325 125.048 119.950 -0.378 0.000 2.608 334 F HA 0.251 4.770 4.527 -0.012 0.000 0.380 334 F C 0.186 175.860 175.800 -0.210 0.000 1.083 334 F CA 0.477 58.149 58.000 -0.546 0.000 1.266 334 F CB 0.115 38.364 39.000 -1.251 0.000 1.076 334 F HN 0.594 nan 8.300 nan 0.000 0.574 335 Q N 8.692 127.816 119.800 -1.126 0.000 2.281 335 Q HA 0.359 4.691 4.340 -0.013 0.000 0.263 335 Q C -2.872 172.417 176.000 -1.185 0.000 0.989 335 Q CA -2.191 52.836 55.803 -1.294 0.000 0.852 335 Q CB 2.750 31.163 28.738 -0.541 0.000 1.337 335 Q HN 0.376 nan 8.270 nan 0.000 0.418 336 P HA 0.261 nan 4.420 nan 0.000 0.274 336 P C -2.657 174.513 177.300 -0.218 0.000 1.256 336 P CA -1.418 61.385 63.100 -0.495 0.000 0.795 336 P CB -0.216 31.297 31.700 -0.312 0.000 1.038 337 P HA -0.038 nan 4.420 nan 0.000 0.264 337 P C -0.066 177.144 177.300 -0.150 0.000 1.193 337 P CA 0.117 63.147 63.100 -0.117 0.000 0.763 337 P CB -0.065 31.587 31.700 -0.079 0.000 0.810 338 V N 0.839 120.503 119.914 -0.415 0.000 2.901 338 V HA 0.525 4.637 4.120 -0.013 0.000 0.307 338 V C 0.122 175.983 176.094 -0.389 0.000 1.084 338 V CA -0.360 61.475 62.300 -0.776 0.000 1.184 338 V CB -0.283 30.732 31.823 -1.347 0.000 0.941 338 V HN 0.739 nan 8.190 nan 0.000 0.493 339 A N 2.728 125.389 122.820 -0.266 0.000 2.589 339 A HA 0.920 5.232 4.320 -0.013 0.000 0.296 339 A C 0.159 177.740 177.584 -0.006 0.000 1.062 339 A CA 0.033 52.043 52.037 -0.045 0.000 0.686 339 A CB 1.029 20.039 19.000 0.018 0.000 1.282 339 A HN 2.913 nan 8.150 nan 0.000 0.404 340 G N 0.966 109.782 108.800 0.025 0.000 2.796 340 G HA2 -0.057 3.895 3.960 -0.013 0.000 0.571 340 G HA3 -0.057 3.895 3.960 -0.013 0.000 0.571 340 G C -0.395 174.509 174.900 0.007 0.000 1.370 340 G CA -0.140 44.949 45.100 -0.018 0.000 0.856 340 G HN 1.260 nan 8.290 nan 0.000 0.538 341 N N -0.936 117.733 118.700 -0.053 0.000 2.444 341 N HA 0.618 5.350 4.740 -0.013 0.000 0.255 341 N C -0.384 175.045 175.510 -0.135 0.000 1.255 341 N CA 0.558 53.597 53.050 -0.020 0.000 0.933 341 N CB 0.348 38.800 38.487 -0.059 0.000 1.143 341 N HN 0.450 nan 8.380 nan 0.000 0.453 342 F N 0.229 120.138 119.950 -0.069 0.000 2.578 342 F HA 0.458 4.977 4.527 -0.013 0.000 0.311 342 F C -0.399 175.316 175.800 -0.141 0.000 1.094 342 F CA -0.869 57.093 58.000 -0.064 0.000 0.923 342 F CB 1.429 40.377 39.000 -0.086 0.000 1.230 342 F HN 0.202 nan 8.300 nan 0.000 0.450 343 I N 2.623 123.272 120.570 0.130 0.000 2.354 343 I HA 0.751 4.914 4.170 -0.013 0.000 0.292 343 I C -1.007 175.200 176.117 0.151 0.000 0.989 343 I CA -0.476 60.880 61.300 0.092 0.000 1.188 343 I CB 1.057 39.132 38.000 0.125 0.000 1.342 343 I HN 0.679 nan 8.210 nan 0.000 0.457 344 A N 8.007 130.780 122.820 -0.080 0.000 2.267 344 A HA 0.653 4.965 4.320 -0.013 0.000 0.315 344 A C -0.803 176.952 177.584 0.285 0.000 1.297 344 A CA -0.509 51.429 52.037 -0.164 0.000 0.865 344 A CB 0.193 18.741 19.000 -0.752 0.000 1.165 344 A HN 0.745 nan 8.150 nan 0.000 0.513 345 F N 1.587 121.739 119.950 0.337 0.000 2.914 345 F HA 0.770 5.288 4.527 -0.014 0.000 0.379 345 F C 1.181 177.136 175.800 0.259 0.000 1.324 345 F CA -0.134 58.026 58.000 0.266 0.000 1.112 345 F CB -0.315 38.761 39.000 0.127 0.000 1.574 345 F HN 0.942 nan 8.300 nan 0.000 0.483 346 S N 0.545 116.422 115.700 0.294 0.000 3.927 346 S HA -0.420 4.042 4.470 -0.013 0.000 0.618 346 S C 1.282 175.636 174.600 -0.409 0.000 2.201 346 S CA 0.714 58.900 58.200 -0.023 0.000 4.160 346 S CB -2.124 61.205 63.200 0.215 0.000 0.266 346 S HN 1.941 nan 8.310 nan 0.000 0.760 347 A N 0.147 122.901 122.820 -0.110 0.000 2.121 347 A HA 0.319 4.631 4.320 -0.013 0.000 0.218 347 A C 1.818 179.414 177.584 0.020 0.000 1.154 347 A CA 1.679 53.729 52.037 0.022 0.000 0.679 347 A CB -1.047 18.013 19.000 0.101 0.000 0.795 347 A HN 0.669 nan 8.150 nan 0.000 0.458 348 F N -1.411 118.626 119.950 0.144 0.000 2.069 348 F HA -0.205 4.314 4.527 -0.013 0.000 0.298 348 F C 2.192 178.138 175.800 0.243 0.000 1.113 348 F CA 1.874 60.028 58.000 0.256 0.000 1.214 348 F CB -1.118 38.106 39.000 0.374 0.000 0.978 348 F HN 0.433 nan 8.300 nan 0.000 0.474 349 Y N -0.249 120.237 120.300 0.311 0.000 2.097 349 Y HA -0.334 4.208 4.550 -0.013 0.000 0.282 349 Y C 2.403 178.395 175.900 0.154 0.000 1.152 349 Y CA 1.611 59.834 58.100 0.206 0.000 1.136 349 Y CB -0.972 37.543 38.460 0.092 0.000 0.975 349 Y HN 0.046 nan 8.280 nan 0.000 0.498 350 Y N -0.208 120.270 120.300 0.297 0.000 2.207 350 Y HA -0.226 4.317 4.550 -0.013 0.000 0.287 350 Y C 2.685 178.670 175.900 0.141 0.000 1.156 350 Y CA 1.615 59.830 58.100 0.191 0.000 1.182 350 Y CB -1.580 37.036 38.460 0.260 0.000 0.979 350 Y HN 0.102 nan 8.280 nan 0.000 0.521 351 T N -0.627 114.103 114.554 0.294 0.000 2.770 351 T HA -0.100 4.242 4.350 -0.013 0.000 0.263 351 T C 2.222 176.988 174.700 0.110 0.000 1.039 351 T CA 1.410 63.685 62.100 0.292 0.000 1.142 351 T CB -0.712 68.308 68.868 0.252 0.000 0.868 351 T HN 0.121 nan 8.240 nan 0.000 0.435 352 V N 2.019 121.886 119.914 -0.077 0.000 2.407 352 V HA -0.180 3.932 4.120 -0.013 0.000 0.248 352 V C 2.392 178.346 176.094 -0.233 0.000 1.055 352 V CA 1.940 64.078 62.300 -0.270 0.000 1.049 352 V CB -0.609 30.800 31.823 -0.691 0.000 0.662 352 V HN 0.479 nan 8.190 nan 0.000 0.455 353 D N -0.499 119.726 120.400 -0.291 0.000 2.117 353 D HA -0.231 4.401 4.640 -0.013 0.000 0.197 353 D C 1.917 178.133 176.300 -0.139 0.000 0.987 353 D CA 1.278 55.110 54.000 -0.280 0.000 0.829 353 D CB -0.193 40.362 40.800 -0.410 0.000 0.961 353 D HN 0.396 nan 8.370 nan 0.000 0.460 354 F N 0.684 120.490 119.950 -0.240 0.000 2.102 354 F HA -0.093 4.426 4.527 -0.013 0.000 0.298 354 F C 1.939 177.566 175.800 -0.289 0.000 1.105 354 F CA 1.272 59.055 58.000 -0.362 0.000 1.239 354 F CB -0.279 38.244 39.000 -0.796 0.000 0.991 354 F HN -0.016 nan 8.300 nan 0.000 0.474 355 L N -0.108 121.026 121.223 -0.148 0.000 2.046 355 L HA -0.230 4.102 4.340 -0.013 0.000 0.208 355 L C 2.614 179.336 176.870 -0.246 0.000 1.077 355 L CA 1.973 56.699 54.840 -0.190 0.000 0.747 355 L CB -1.241 40.781 42.059 -0.061 0.000 0.896 355 L HN 0.373 nan 8.230 nan 0.000 0.432 356 T N -4.697 109.734 114.554 -0.206 0.000 2.894 356 T HA -0.122 4.221 4.350 -0.013 0.000 0.258 356 T C 1.824 176.416 174.700 -0.181 0.000 1.043 356 T CA 1.289 63.291 62.100 -0.163 0.000 1.141 356 T CB -0.598 68.199 68.868 -0.118 0.000 0.873 356 T HN 0.424 nan 8.240 nan 0.000 0.449 357 T N -0.465 113.964 114.554 -0.208 0.000 3.031 357 T HA 0.194 4.536 4.350 -0.013 0.000 0.254 357 T C 1.975 176.524 174.700 -0.252 0.000 1.060 357 T CA 0.558 62.552 62.100 -0.178 0.000 1.135 357 T CB -0.518 68.281 68.868 -0.114 0.000 0.896 357 T HN 0.227 nan 8.240 nan 0.000 0.472 358 V N 1.427 121.079 119.914 -0.436 0.000 2.374 358 V HA 0.125 4.238 4.120 -0.013 0.000 0.241 358 V C 2.715 178.497 176.094 -0.520 0.000 1.034 358 V CA 0.961 62.934 62.300 -0.546 0.000 1.037 358 V CB -0.393 30.892 31.823 -0.897 0.000 0.682 358 V HN 0.333 nan 8.190 nan 0.000 0.463 359 M N 0.174 119.393 119.600 -0.635 0.000 2.476 359 M HA 0.178 4.650 4.480 -0.013 0.000 0.262 359 M C 1.729 177.889 176.300 -0.233 0.000 1.079 359 M CA 1.257 56.327 55.300 -0.384 0.000 1.104 359 M CB -1.247 31.154 32.600 -0.332 0.000 1.409 359 M HN 0.607 nan 8.290 nan 0.000 0.467 360 G N 2.148 110.813 108.800 -0.225 0.000 2.273 360 G HA2 -0.238 3.714 3.960 -0.013 0.000 0.280 360 G HA3 -0.238 3.714 3.960 -0.013 0.000 0.280 360 G C -0.159 174.674 174.900 -0.111 0.000 1.047 360 G CA 0.062 45.074 45.100 -0.147 0.000 0.869 360 G HN 0.431 nan 8.290 nan 0.000 0.502 361 L N 0.499 121.651 121.223 -0.117 0.000 2.334 361 L HA 0.597 4.929 4.340 -0.013 0.000 0.273 361 L C -1.743 175.088 176.870 -0.066 0.000 1.013 361 L CA -2.568 52.222 54.840 -0.082 0.000 0.816 361 L CB 2.091 44.102 42.059 -0.081 0.000 1.278 361 L HN -0.063 nan 8.230 nan 0.000 0.431 362 P HA 0.089 nan 4.420 nan 0.000 0.278 362 P C -0.088 177.208 177.300 -0.007 0.000 1.238 362 P CA -0.210 62.879 63.100 -0.019 0.000 0.794 362 P CB 1.572 33.270 31.700 -0.004 0.000 0.955 363 V N -1.433 118.491 119.914 0.017 0.000 3.111 363 V HA 0.404 4.516 4.120 -0.013 0.000 0.343 363 V C 1.530 177.739 176.094 0.192 0.000 1.417 363 V CA 0.719 63.053 62.300 0.058 0.000 1.142 363 V CB -0.057 31.755 31.823 -0.018 0.000 1.114 363 V HN 0.533 nan 8.190 nan 0.000 0.520 364 G N 1.819 110.713 108.800 0.156 0.000 2.470 364 G HA2 0.088 4.040 3.960 -0.013 0.000 0.220 364 G HA3 0.088 4.040 3.960 -0.013 0.000 0.220 364 G C 0.741 175.829 174.900 0.313 0.000 1.121 364 G CA 1.477 46.688 45.100 0.185 0.000 0.766 364 G HN 0.846 nan 8.290 nan 0.000 0.553 365 T N -3.269 111.471 114.554 0.309 0.000 2.916 365 T HA 0.537 4.880 4.350 -0.013 0.000 0.292 365 T C 1.209 175.959 174.700 0.082 0.000 1.064 365 T CA -0.842 61.439 62.100 0.302 0.000 1.011 365 T CB 1.774 70.726 68.868 0.141 0.000 1.152 365 T HN -0.139 nan 8.240 nan 0.000 0.510 366 L N 0.500 121.607 121.223 -0.194 0.000 2.083 366 L HA -0.025 4.307 4.340 -0.013 0.000 0.209 366 L C 2.899 179.705 176.870 -0.106 0.000 1.083 366 L CA 1.551 56.151 54.840 -0.400 0.000 0.752 366 L CB -0.437 41.403 42.059 -0.365 0.000 0.899 366 L HN 0.835 nan 8.230 nan 0.000 0.433 367 K N 0.073 120.444 120.400 -0.048 0.000 2.026 367 K HA -0.225 4.087 4.320 -0.013 0.000 0.208 367 K C 2.115 178.680 176.600 -0.059 0.000 1.048 367 K CA 1.462 57.724 56.287 -0.042 0.000 0.929 367 K CB -0.006 32.486 32.500 -0.014 0.000 0.713 367 K HN 0.317 nan 8.250 nan 0.000 0.439 368 Q N 0.265 120.050 119.800 -0.024 0.000 2.124 368 Q HA -0.174 4.158 4.340 -0.013 0.000 0.202 368 Q C 2.131 178.102 176.000 -0.049 0.000 0.977 368 Q CA 1.331 57.121 55.803 -0.021 0.000 0.850 368 Q CB -0.145 28.606 28.738 0.021 0.000 0.901 368 Q HN 0.268 nan 8.270 nan 0.000 0.429 369 L N 1.145 122.334 121.223 -0.056 0.000 2.017 369 L HA -0.188 4.144 4.340 -0.013 0.000 0.208 369 L C 2.147 178.912 176.870 -0.175 0.000 1.073 369 L CA 1.967 56.764 54.840 -0.071 0.000 0.745 369 L CB -0.540 41.492 42.059 -0.045 0.000 0.894 369 L HN 0.188 nan 8.230 nan 0.000 0.432 370 E N -0.460 119.539 120.200 -0.335 0.000 2.058 370 E HA -0.277 4.065 4.350 -0.013 0.000 0.194 370 E C 2.011 178.459 176.600 -0.254 0.000 0.997 370 E CA 1.746 57.817 56.400 -0.549 0.000 0.801 370 E CB -0.131 29.200 29.700 -0.616 0.000 0.746 370 E HN 0.662 nan 8.360 nan 0.000 0.450 371 E N -0.100 120.005 120.200 -0.158 0.000 2.077 371 E HA -0.206 4.137 4.350 -0.013 0.000 0.193 371 E C 1.994 178.551 176.600 -0.072 0.000 0.989 371 E CA 0.966 57.310 56.400 -0.093 0.000 0.800 371 E CB -0.139 29.523 29.700 -0.064 0.000 0.746 371 E HN 0.364 nan 8.360 nan 0.000 0.452 372 A N 0.661 123.438 122.820 -0.070 0.000 1.969 372 A HA -0.132 4.180 4.320 -0.013 0.000 0.218 372 A C 2.317 179.888 177.584 -0.022 0.000 1.169 372 A CA 1.580 53.590 52.037 -0.045 0.000 0.635 372 A CB -0.603 18.370 19.000 -0.045 0.000 0.810 372 A HN 0.156 nan 8.150 nan 0.000 0.445 373 T N -0.536 113.993 114.554 -0.042 0.000 2.777 373 T HA -0.124 4.218 4.350 -0.013 0.000 0.266 373 T C 1.855 176.553 174.700 -0.002 0.000 1.040 373 T CA 1.459 63.553 62.100 -0.009 0.000 1.141 373 T CB -0.175 68.671 68.868 -0.038 0.000 0.868 373 T HN 0.716 nan 8.240 nan 0.000 0.444 374 E N 0.668 120.846 120.200 -0.037 0.000 2.051 374 E HA -0.118 4.224 4.350 -0.013 0.000 0.192 374 E C 2.120 178.722 176.600 0.002 0.000 0.991 374 E CA 1.057 57.446 56.400 -0.020 0.000 0.799 374 E CB -0.236 29.440 29.700 -0.041 0.000 0.748 374 E HN 0.477 nan 8.360 nan 0.000 0.449 375 I N 0.641 121.209 120.570 -0.004 0.000 2.179 375 I HA -0.260 3.902 4.170 -0.013 0.000 0.242 375 I C 2.448 178.584 176.117 0.032 0.000 1.088 375 I CA 1.450 62.754 61.300 0.005 0.000 1.357 375 I CB -0.393 37.601 38.000 -0.011 0.000 1.051 375 I HN 0.186 nan 8.210 nan 0.000 0.409 376 T N -0.066 114.519 114.554 0.052 0.000 2.708 376 T HA -0.201 4.141 4.350 -0.013 0.000 0.266 376 T C 2.001 176.766 174.700 0.109 0.000 1.037 376 T CA 1.559 63.724 62.100 0.107 0.000 1.146 376 T CB -0.482 68.486 68.868 0.168 0.000 0.865 376 T HN 0.412 nan 8.240 nan 0.000 0.435 377 c N 1.946 120.597 118.600 0.085 0.000 2.422 377 c HA 0.004 4.566 4.570 -0.013 0.000 0.279 377 c C 2.558 176.692 174.090 0.073 0.000 1.305 377 c CA 0.277 56.654 56.329 0.081 0.000 1.757 377 c CB -1.210 41.338 42.510 0.064 0.000 1.962 377 c HN 0.545 nan 8.230 nan 0.000 0.499 378 N N 0.563 119.297 118.700 0.057 0.000 2.463 378 N HA -0.009 4.724 4.740 -0.013 0.000 0.181 378 N C 0.515 176.059 175.510 0.057 0.000 1.078 378 N CA 0.553 53.632 53.050 0.047 0.000 0.902 378 N CB -0.248 38.255 38.487 0.028 0.000 0.970 378 N HN 0.601 nan 8.380 nan 0.000 0.451 379 Q N 0.997 120.841 119.800 0.073 0.000 2.330 379 Q HA 0.014 4.346 4.340 -0.013 0.000 0.279 379 Q C 0.798 176.867 176.000 0.114 0.000 1.024 379 Q CA 0.297 56.150 55.803 0.084 0.000 0.900 379 Q CB 0.272 29.069 28.738 0.100 0.000 1.221 379 Q HN 0.310 nan 8.270 nan 0.000 0.396 380 T N -1.788 112.831 114.554 0.108 0.000 2.788 380 T HA 0.073 4.415 4.350 -0.013 0.000 0.287 380 T C 0.981 175.822 174.700 0.235 0.000 1.007 380 T CA -0.739 61.452 62.100 0.153 0.000 1.005 380 T CB 0.761 69.697 68.868 0.113 0.000 1.012 380 T HN 0.793 nan 8.240 nan 0.000 0.530 381 W N 1.162 122.491 121.300 0.050 0.000 2.363 381 W HA -0.238 4.414 4.660 -0.013 0.000 0.296 381 W C 2.231 178.773 176.519 0.037 0.000 1.212 381 W CA 1.506 58.882 57.345 0.051 0.000 1.260 381 W CB -0.511 29.008 29.460 0.098 0.000 1.131 381 W HN 0.969 nan 8.180 nan 0.000 0.530 382 T N -1.412 113.150 114.554 0.015 0.000 2.708 382 T HA -0.249 4.093 4.350 -0.013 0.000 0.266 382 T C 1.394 176.023 174.700 -0.118 0.000 1.037 382 T CA 1.759 63.779 62.100 -0.133 0.000 1.146 382 T CB -0.729 68.111 68.868 -0.047 0.000 0.865 382 T HN 0.260 nan 8.240 nan 0.000 0.435 383 E N 0.632 120.812 120.200 -0.033 0.000 2.077 383 E HA -0.028 4.314 4.350 -0.013 0.000 0.193 383 E C 2.106 178.684 176.600 -0.037 0.000 0.989 383 E CA 0.998 57.382 56.400 -0.027 0.000 0.800 383 E CB -0.275 29.432 29.700 0.011 0.000 0.746 383 E HN 0.279 nan 8.360 nan 0.000 0.452 384 L N 1.360 122.580 121.223 -0.005 0.000 1.994 384 L HA -0.229 4.103 4.340 -0.013 0.000 0.208 384 L C 2.163 178.973 176.870 -0.099 0.000 1.071 384 L CA 1.813 56.666 54.840 0.022 0.000 0.745 384 L CB -0.409 41.745 42.059 0.158 0.000 0.892 384 L HN 0.094 nan 8.230 nan 0.000 0.431 385 Q N -0.981 118.627 119.800 -0.319 0.000 2.135 385 Q HA -0.215 4.117 4.340 -0.013 0.000 0.204 385 Q C 2.139 178.007 176.000 -0.219 0.000 0.981 385 Q CA 1.575 57.133 55.803 -0.408 0.000 0.856 385 Q CB -0.377 27.946 28.738 -0.692 0.000 0.902 385 Q HN 0.674 nan 8.270 nan 0.000 0.425 386 A N 1.030 123.749 122.820 -0.169 0.000 2.070 386 A HA -0.167 4.146 4.320 -0.013 0.000 0.220 386 A C 1.784 179.315 177.584 -0.089 0.000 1.159 386 A CA 1.056 53.025 52.037 -0.113 0.000 0.656 386 A CB -0.230 18.716 19.000 -0.090 0.000 0.800 386 A HN 0.227 nan 8.150 nan 0.000 0.453 387 R N -1.236 119.214 120.500 -0.082 0.000 2.297 387 R HA 0.166 4.499 4.340 -0.013 0.000 0.197 387 R C -0.634 175.624 176.300 -0.070 0.000 0.943 387 R CA 0.297 56.348 56.100 -0.081 0.000 1.038 387 R CB 0.376 30.620 30.300 -0.092 0.000 0.957 387 R HN 0.254 nan 8.270 nan 0.000 0.484 388 V N 2.262 122.143 119.914 -0.055 0.000 2.380 388 V HA 0.176 4.288 4.120 -0.013 0.000 0.268 388 V C -1.996 174.073 176.094 -0.042 0.000 1.008 388 V CA -1.259 61.027 62.300 -0.024 0.000 0.823 388 V CB 1.752 33.597 31.823 0.036 0.000 1.053 388 V HN -0.034 nan 8.190 nan 0.000 0.446 389 P HA -0.009 nan 4.420 nan 0.000 0.220 389 P C 1.070 178.353 177.300 -0.028 0.000 1.148 389 P CA 1.101 64.177 63.100 -0.039 0.000 0.803 389 P CB 0.446 32.127 31.700 -0.033 0.000 0.782 390 G N -0.570 108.222 108.800 -0.013 0.000 2.782 390 G HA2 0.357 4.309 3.960 -0.013 0.000 0.201 390 G HA3 0.357 4.309 3.960 -0.013 0.000 0.201 390 G C -0.706 174.197 174.900 0.005 0.000 1.374 390 G CA -0.414 44.684 45.100 -0.002 0.000 1.039 390 G HN 0.163 nan 8.290 nan 0.000 0.576 391 Q N -0.299 119.511 119.800 0.016 0.000 2.349 391 Q HA 0.274 4.606 4.340 -0.013 0.000 0.287 391 Q C -0.013 176.012 176.000 0.041 0.000 1.044 391 Q CA 0.323 56.140 55.803 0.024 0.000 0.918 391 Q CB 0.789 29.540 28.738 0.022 0.000 1.242 391 Q HN 0.283 nan 8.270 nan 0.000 0.405 392 K N 1.399 121.831 120.400 0.053 0.000 2.399 392 K HA 0.095 4.407 4.320 -0.013 0.000 0.204 392 K C -0.116 176.540 176.600 0.093 0.000 1.023 392 K CA 0.315 56.655 56.287 0.089 0.000 1.127 392 K CB 0.167 32.736 32.500 0.115 0.000 0.856 392 K HN 0.925 nan 8.250 nan 0.000 0.514 393 T N -0.424 114.156 114.554 0.044 0.000 2.940 393 T HA 0.121 4.464 4.350 -0.013 0.000 0.309 393 T C 0.741 175.412 174.700 -0.049 0.000 1.056 393 T CA -0.135 61.960 62.100 -0.008 0.000 1.137 393 T CB 0.745 69.600 68.868 -0.022 0.000 0.976 393 T HN 0.436 nan 8.240 nan 0.000 0.547 394 R N -0.713 119.699 120.500 -0.146 0.000 3.884 394 R HA -0.182 4.150 4.340 -0.013 0.000 0.464 394 R C 1.215 177.286 176.300 -0.381 0.000 0.963 394 R CA 0.902 56.815 56.100 -0.312 0.000 1.408 394 R CB -2.188 27.882 30.300 -0.384 0.000 2.054 394 R HN 0.576 nan 8.270 nan 0.000 0.522 395 L N 1.075 122.239 121.223 -0.098 0.000 2.046 395 L HA -0.004 4.328 4.340 -0.013 0.000 0.208 395 L C 2.437 179.288 176.870 -0.032 0.000 1.077 395 L CA 2.515 57.406 54.840 0.084 0.000 0.747 395 L CB -0.540 41.668 42.059 0.248 0.000 0.896 395 L HN 0.330 nan 8.230 nan 0.000 0.432 396 A N -1.492 121.138 122.820 -0.317 0.000 2.121 396 A HA -0.138 4.174 4.320 -0.013 0.000 0.218 396 A C 1.720 179.029 177.584 -0.458 0.000 1.154 396 A CA 1.589 53.214 52.037 -0.687 0.000 0.679 396 A CB -0.530 17.341 19.000 -1.882 0.000 0.795 396 A HN 0.538 nan 8.150 nan 0.000 0.458 397 D N -2.215 117.947 120.400 -0.397 0.000 2.367 397 D HA 0.064 4.696 4.640 -0.013 0.000 0.207 397 D C 1.042 177.164 176.300 -0.296 0.000 1.034 397 D CA 0.315 54.138 54.000 -0.296 0.000 0.861 397 D CB -0.143 40.463 40.800 -0.325 0.000 0.943 397 D HN 0.514 nan 8.370 nan 0.000 0.515 398 Y N 0.915 121.068 120.300 -0.244 0.000 2.181 398 Y HA -0.240 4.302 4.550 -0.013 0.000 0.288 398 Y C 2.677 178.529 175.900 -0.080 0.000 1.146 398 Y CA 0.732 58.672 58.100 -0.266 0.000 1.164 398 Y CB -0.825 37.229 38.460 -0.676 0.000 0.982 398 Y HN 0.119 nan 8.280 nan 0.000 0.515 399 c N 0.265 118.931 118.600 0.111 0.000 2.367 399 c HA -0.288 4.274 4.570 -0.013 0.000 0.276 399 c C 2.979 177.123 174.090 0.090 0.000 1.195 399 c CA 1.762 58.156 56.329 0.108 0.000 1.756 399 c CB -1.433 41.132 42.510 0.092 0.000 2.046 399 c HN 0.572 nan 8.230 nan 0.000 0.453 400 A N -0.094 122.758 122.820 0.053 0.000 1.902 400 A HA -0.030 4.282 4.320 -0.013 0.000 0.217 400 A C 2.373 180.021 177.584 0.106 0.000 1.181 400 A CA 2.387 54.462 52.037 0.064 0.000 0.623 400 A CB -0.889 18.122 19.000 0.019 0.000 0.818 400 A HN 0.585 nan 8.150 nan 0.000 0.443 401 V N -0.175 119.779 119.914 0.065 0.000 2.358 401 V HA -0.204 3.908 4.120 -0.013 0.000 0.246 401 V C 3.024 179.250 176.094 0.219 0.000 1.047 401 V CA 1.809 64.182 62.300 0.122 0.000 1.035 401 V CB -1.305 30.530 31.823 0.021 0.000 0.658 401 V HN 0.602 nan 8.190 nan 0.000 0.452 402 A N -0.319 122.610 122.820 0.182 0.000 1.902 402 A HA -0.270 4.042 4.320 -0.013 0.000 0.217 402 A C 2.182 179.867 177.584 0.168 0.000 1.181 402 A CA 2.403 54.545 52.037 0.175 0.000 0.623 402 A CB -0.546 18.548 19.000 0.157 0.000 0.818 402 A HN 0.467 nan 8.150 nan 0.000 0.443 403 M N -1.386 118.313 119.600 0.165 0.000 2.086 403 M HA -0.081 4.391 4.480 -0.013 0.000 0.261 403 M C 1.814 178.243 176.300 0.215 0.000 1.067 403 M CA 1.839 57.238 55.300 0.164 0.000 1.116 403 M CB -0.680 32.008 32.600 0.145 0.000 1.348 403 M HN 0.454 nan 8.290 nan 0.000 0.407 404 F N 0.267 120.283 119.950 0.109 0.000 2.095 404 F HA -0.193 4.326 4.527 -0.013 0.000 0.298 404 F C 1.846 177.730 175.800 0.141 0.000 1.104 404 F CA 1.906 59.988 58.000 0.137 0.000 1.232 404 F CB -0.536 38.513 39.000 0.080 0.000 0.987 404 F HN 0.181 nan 8.300 nan 0.000 0.475 405 I N -0.413 120.158 120.570 0.001 0.000 2.179 405 I HA -0.344 3.818 4.170 -0.013 0.000 0.242 405 I C 2.721 178.776 176.117 -0.104 0.000 1.088 405 I CA 1.704 62.986 61.300 -0.030 0.000 1.357 405 I CB -0.845 37.305 38.000 0.250 0.000 1.051 405 I HN 0.293 nan 8.210 nan 0.000 0.409 406 H N 1.299 120.304 119.070 -0.108 0.000 2.319 406 H HA -0.203 4.345 4.556 -0.013 0.000 0.299 406 H C 2.104 177.264 175.328 -0.280 0.000 1.092 406 H CA 1.942 57.885 56.048 -0.175 0.000 1.302 406 H CB 0.106 29.792 29.762 -0.128 0.000 1.373 406 H HN 0.453 nan 8.280 nan 0.000 0.497 407 Q N -0.074 119.514 119.800 -0.353 0.000 2.079 407 Q HA -0.112 4.220 4.340 -0.013 0.000 0.200 407 Q C 2.617 178.018 176.000 -0.998 0.000 0.974 407 Q CA 0.969 56.420 55.803 -0.586 0.000 0.840 407 Q CB -0.060 28.489 28.738 -0.316 0.000 0.898 407 Q HN 0.303 nan 8.270 nan 0.000 0.430 408 L N 1.035 121.678 121.223 -0.966 0.000 1.990 408 L HA -0.220 4.112 4.340 -0.013 0.000 0.213 408 L C 2.020 178.349 176.870 -0.902 0.000 1.072 408 L CA 1.743 55.934 54.840 -1.082 0.000 0.755 408 L CB -0.543 40.942 42.059 -0.957 0.000 0.889 408 L HN 0.177 nan 8.230 nan 0.000 0.432 409 L N -1.096 119.796 121.223 -0.552 0.000 2.027 409 L HA -0.170 4.162 4.340 -0.013 0.000 0.206 409 L C 2.611 179.354 176.870 -0.211 0.000 1.074 409 L CA 1.526 56.215 54.840 -0.251 0.000 0.745 409 L CB -0.808 41.085 42.059 -0.277 0.000 0.898 409 L HN 0.521 nan 8.230 nan 0.000 0.433 410 S N -0.400 115.023 115.700 -0.463 0.000 2.356 410 S HA -0.056 4.407 4.470 -0.013 0.000 0.219 410 S C 2.065 176.453 174.600 -0.352 0.000 1.036 410 S CA 0.210 58.183 58.200 -0.379 0.000 0.965 410 S CB -0.231 62.642 63.200 -0.545 0.000 0.864 410 S HN 0.312 nan 8.310 nan 0.000 0.471 411 R N 0.927 121.107 120.500 -0.533 0.000 2.140 411 R HA 0.222 4.554 4.340 -0.013 0.000 0.213 411 R C 2.609 178.499 176.300 -0.682 0.000 1.059 411 R CA 0.841 56.640 56.100 -0.500 0.000 1.000 411 R CB -0.604 29.337 30.300 -0.598 0.000 0.910 411 R HN 0.553 nan 8.270 nan 0.000 0.455 412 G N 0.276 108.508 108.800 -0.945 0.000 2.456 412 G HA2 -0.195 3.757 3.960 -0.013 0.000 0.213 412 G HA3 -0.195 3.757 3.960 -0.013 0.000 0.213 412 G C 0.791 175.408 174.900 -0.472 0.000 1.215 412 G CA 0.284 44.906 45.100 -0.796 0.000 0.805 412 G HN 0.170 nan 8.290 nan 0.000 0.537 413 Y N 0.553 120.618 120.300 -0.391 0.000 2.523 413 Y HA 0.178 4.721 4.550 -0.012 0.000 0.279 413 Y C 1.069 176.716 175.900 -0.422 0.000 1.139 413 Y CA -0.193 57.733 58.100 -0.290 0.000 1.296 413 Y CB -0.310 38.140 38.460 -0.017 0.000 1.045 413 Y HN 0.446 nan 8.280 nan 0.000 0.538 414 H N -2.847 116.220 119.070 -0.005 0.000 2.903 414 H HA -0.188 4.360 4.556 -0.013 0.000 0.285 414 H C -0.275 174.961 175.328 -0.154 0.000 1.231 414 H CA 0.244 56.236 56.048 -0.093 0.000 1.135 414 H CB -2.505 27.195 29.762 -0.104 0.000 1.328 414 H HN 0.182 nan 8.280 nan 0.000 0.388 415 F N 2.332 122.241 119.950 -0.069 0.000 2.553 415 F HA 0.169 4.689 4.527 -0.012 0.000 0.356 415 F C 1.466 177.233 175.800 -0.055 0.000 1.142 415 F CA 0.963 58.921 58.000 -0.069 0.000 1.322 415 F CB 0.596 39.557 39.000 -0.065 0.000 1.126 415 F HN 0.276 nan 8.300 nan 0.000 0.599 416 D N 0.030 120.536 120.400 0.176 0.000 2.727 416 D HA 0.211 4.844 4.640 -0.013 0.000 0.264 416 D C 0.547 176.941 176.300 0.157 0.000 1.101 416 D CA -0.553 53.509 54.000 0.104 0.000 1.122 416 D CB 0.311 41.143 40.800 0.053 0.000 1.390 416 D HN 0.291 nan 8.370 nan 0.000 0.606 417 E N -0.314 119.952 120.200 0.109 0.000 2.110 417 E HA -0.185 4.157 4.350 -0.013 0.000 0.193 417 E C 1.807 178.510 176.600 0.171 0.000 0.988 417 E CA 0.860 57.349 56.400 0.148 0.000 0.804 417 E CB -0.128 29.629 29.700 0.095 0.000 0.745 417 E HN 0.500 nan 8.360 nan 0.000 0.458 418 R N 1.032 121.604 120.500 0.120 0.000 2.073 418 R HA -0.119 4.213 4.340 -0.013 0.000 0.234 418 R C 2.446 178.822 176.300 0.127 0.000 1.134 418 R CA 1.955 58.114 56.100 0.099 0.000 0.952 418 R CB -0.146 30.190 30.300 0.061 0.000 0.850 418 R HN 0.193 nan 8.270 nan 0.000 0.433 419 S N -0.256 115.540 115.700 0.161 0.000 2.406 419 S HA -0.131 4.331 4.470 -0.013 0.000 0.228 419 S C 1.806 176.623 174.600 0.362 0.000 1.020 419 S CA 0.719 59.050 58.200 0.218 0.000 0.965 419 S CB -0.558 62.706 63.200 0.107 0.000 0.798 419 S HN 0.436 nan 8.310 nan 0.000 0.488 420 F N 3.090 123.163 119.950 0.206 0.000 2.293 420 F HA 0.200 4.718 4.527 -0.014 0.000 0.300 420 F C 2.362 178.164 175.800 0.003 0.000 1.086 420 F CA 0.753 58.772 58.000 0.031 0.000 1.375 420 F CB -0.324 38.668 39.000 -0.013 0.000 1.045 420 F HN 0.098 nan 8.300 nan 0.000 0.516 421 R N 1.043 121.561 120.500 0.030 0.000 2.200 421 R HA -0.137 4.195 4.340 -0.013 0.000 0.234 421 R C 1.475 177.709 176.300 -0.109 0.000 1.127 421 R CA 1.519 57.589 56.100 -0.050 0.000 0.989 421 R CB -0.623 29.701 30.300 0.039 0.000 0.869 421 R HN 0.216 nan 8.270 nan 0.000 0.459 422 E N -0.460 119.701 120.200 -0.066 0.000 2.479 422 E HA 0.081 4.423 4.350 -0.013 0.000 0.193 422 E C -0.334 176.217 176.600 -0.081 0.000 1.049 422 E CA 0.075 56.458 56.400 -0.028 0.000 0.870 422 E CB 0.417 30.163 29.700 0.077 0.000 0.944 422 E HN 0.049 nan 8.360 nan 0.000 0.492 423 V N 2.332 122.063 119.914 -0.305 0.000 2.432 423 V HA 0.199 4.311 4.120 -0.013 0.000 0.275 423 V C 0.356 176.133 176.094 -0.529 0.000 1.043 423 V CA -0.800 61.206 62.300 -0.490 0.000 0.925 423 V CB 1.434 32.694 31.823 -0.939 0.000 0.985 423 V HN -0.005 nan 8.190 nan 0.000 0.466 424 V N 2.297 121.962 119.914 -0.415 0.000 2.667 424 V HA 0.697 4.809 4.120 -0.013 0.000 0.308 424 V C -0.924 174.938 176.094 -0.385 0.000 1.048 424 V CA -0.792 61.343 62.300 -0.275 0.000 0.928 424 V CB 1.754 33.522 31.823 -0.091 0.000 1.004 424 V HN 0.536 nan 8.190 nan 0.000 0.444 425 F N 3.432 123.419 119.950 0.062 0.000 2.361 425 F HA 0.769 5.288 4.527 -0.012 0.000 0.364 425 F C 0.452 176.464 175.800 0.354 0.000 1.117 425 F CA -0.116 58.007 58.000 0.204 0.000 1.071 425 F CB 1.456 40.562 39.000 0.177 0.000 1.188 425 F HN 0.503 nan 8.300 nan 0.000 0.464 426 Q N 2.133 122.183 119.800 0.417 0.000 2.435 426 Q HA 0.264 4.597 4.340 -0.013 0.000 0.282 426 Q C -0.166 175.809 176.000 -0.041 0.000 1.020 426 Q CA -0.758 55.141 55.803 0.159 0.000 0.820 426 Q CB 2.698 31.477 28.738 0.068 0.000 1.436 426 Q HN 0.790 nan 8.270 nan 0.000 0.395 427 K N -0.695 119.473 120.400 -0.388 0.000 2.438 427 K HA 0.396 4.708 4.320 -0.013 0.000 0.206 427 K C 0.166 176.653 176.600 -0.188 0.000 1.081 427 K CA -0.079 56.033 56.287 -0.292 0.000 1.053 427 K CB 1.476 33.674 32.500 -0.503 0.000 0.908 427 K HN 0.243 nan 8.250 nan 0.000 0.556 428 K N 0.836 121.135 120.400 -0.168 0.000 2.498 428 K HA 0.641 4.953 4.320 -0.013 0.000 0.254 428 K C -1.981 174.564 176.600 -0.091 0.000 0.933 428 K CA -0.797 55.424 56.287 -0.111 0.000 0.806 428 K CB 2.392 34.848 32.500 -0.073 0.000 1.301 428 K HN 0.160 nan 8.250 nan 0.000 0.432 429 A N 1.915 124.686 122.820 -0.082 0.000 2.455 429 A HA 0.712 5.024 4.320 -0.013 0.000 0.300 429 A C -0.412 177.151 177.584 -0.036 0.000 1.040 429 A CA -0.061 51.936 52.037 -0.066 0.000 0.697 429 A CB 1.423 20.366 19.000 -0.096 0.000 1.265 429 A HN 1.444 nan 8.150 nan 0.000 0.407 430 A N 2.938 125.744 122.820 -0.023 0.000 2.640 430 A HA -0.106 4.206 4.320 -0.013 0.000 0.300 430 A C 0.592 178.190 177.584 0.024 0.000 1.499 430 A CA 1.398 53.435 52.037 -0.000 0.000 0.759 430 A CB -2.141 16.858 19.000 -0.003 0.000 1.048 430 A HN 1.708 nan 8.150 nan 0.000 0.450 431 D N -2.479 117.933 120.400 0.020 0.000 3.059 431 D HA -0.163 4.469 4.640 -0.013 0.000 0.220 431 D C 0.173 176.503 176.300 0.050 0.000 1.169 431 D CA 1.857 55.879 54.000 0.036 0.000 0.902 431 D CB -1.672 39.157 40.800 0.049 0.000 1.116 431 D HN 0.866 nan 8.370 nan 0.000 0.417 432 T N 0.188 114.763 114.554 0.034 0.000 2.824 432 T HA 0.570 4.913 4.350 -0.013 0.000 0.282 432 T C 0.185 174.866 174.700 -0.032 0.000 0.993 432 T CA -0.152 61.975 62.100 0.044 0.000 0.967 432 T CB 2.045 70.965 68.868 0.085 0.000 0.960 432 T HN 0.268 nan 8.240 nan 0.000 0.441 433 A N 2.921 125.706 122.820 -0.057 0.000 2.520 433 A HA 0.437 4.749 4.320 -0.013 0.000 0.245 433 A C 0.368 177.795 177.584 -0.260 0.000 1.072 433 A CA -0.261 51.698 52.037 -0.130 0.000 0.761 433 A CB -0.062 18.884 19.000 -0.090 0.000 1.004 433 A HN 0.708 nan 8.150 nan 0.000 0.499 434 V N 2.891 122.633 119.914 -0.287 0.000 2.461 434 V HA 0.644 4.757 4.120 -0.013 0.000 0.275 434 V C 0.951 176.706 176.094 -0.565 0.000 1.047 434 V CA 0.969 62.974 62.300 -0.492 0.000 0.955 434 V CB 0.480 31.915 31.823 -0.646 0.000 0.988 434 V HN 1.417 nan 8.190 nan 0.000 0.471 435 G N 3.869 112.367 108.800 -0.502 0.000 2.430 435 G HA2 0.245 4.197 3.960 -0.013 0.000 0.300 435 G HA3 0.245 4.197 3.960 -0.013 0.000 0.300 435 G C -0.094 174.749 174.900 -0.094 0.000 1.330 435 G CA -0.122 44.844 45.100 -0.223 0.000 0.813 435 G HN 0.694 nan 8.290 nan 0.000 0.487 436 W N -0.387 121.000 121.300 0.144 0.000 2.595 436 W HA 0.251 4.903 4.660 -0.013 0.000 0.257 436 W C 1.602 178.164 176.519 0.071 0.000 1.267 436 W CA 1.134 58.582 57.345 0.172 0.000 1.300 436 W CB -1.003 28.603 29.460 0.243 0.000 1.120 436 W HN 0.644 nan 8.180 nan 0.000 0.618 437 A N 2.251 124.735 122.820 -0.560 0.000 1.908 437 A HA -0.215 4.097 4.320 -0.013 0.000 0.218 437 A C 2.127 179.627 177.584 -0.140 0.000 1.181 437 A CA 2.222 54.001 52.037 -0.430 0.000 0.627 437 A CB -0.995 17.732 19.000 -0.455 0.000 0.818 437 A HN 0.287 nan 8.150 nan 0.000 0.445 438 L N 0.051 121.100 121.223 -0.290 0.000 1.994 438 L HA 0.008 4.340 4.340 -0.013 0.000 0.208 438 L C 2.447 179.063 176.870 -0.425 0.000 1.071 438 L CA 2.515 57.009 54.840 -0.576 0.000 0.745 438 L CB -1.290 40.415 42.059 -0.590 0.000 0.892 438 L HN 0.296 nan 8.230 nan 0.000 0.431 439 G N -1.737 106.951 108.800 -0.188 0.000 2.469 439 G HA2 -0.395 3.557 3.960 -0.013 0.000 0.219 439 G HA3 -0.395 3.557 3.960 -0.013 0.000 0.219 439 G C 1.575 176.265 174.900 -0.349 0.000 1.150 439 G CA 1.129 46.187 45.100 -0.070 0.000 0.763 439 G HN 0.516 nan 8.290 nan 0.000 0.561 440 Y N 0.556 120.482 120.300 -0.623 0.000 2.097 440 Y HA -0.117 4.425 4.550 -0.014 0.000 0.282 440 Y C 2.882 178.337 175.900 -0.743 0.000 1.152 440 Y CA 2.073 59.571 58.100 -1.005 0.000 1.136 440 Y CB -0.299 37.983 38.460 -0.298 0.000 0.975 440 Y HN 0.177 nan 8.280 nan 0.000 0.498 441 M N -0.662 118.658 119.600 -0.466 0.000 2.108 441 M HA -0.254 4.218 4.480 -0.013 0.000 0.261 441 M C 2.093 178.069 176.300 -0.540 0.000 1.066 441 M CA 1.856 56.842 55.300 -0.522 0.000 1.107 441 M CB -0.445 32.002 32.600 -0.254 0.000 1.356 441 M HN 0.426 nan 8.290 nan 0.000 0.406 442 L N 0.009 120.907 121.223 -0.542 0.000 2.042 442 L HA -0.292 4.040 4.340 -0.013 0.000 0.210 442 L C 2.514 179.147 176.870 -0.395 0.000 1.076 442 L CA 1.524 56.064 54.840 -0.501 0.000 0.749 442 L CB -1.167 40.568 42.059 -0.539 0.000 0.893 442 L HN 0.491 nan 8.230 nan 0.000 0.432 443 N N 0.912 119.361 118.700 -0.418 0.000 2.080 443 N HA -0.161 4.571 4.740 -0.013 0.000 0.189 443 N C 1.919 177.218 175.510 -0.352 0.000 1.036 443 N CA 1.520 54.385 53.050 -0.309 0.000 0.846 443 N CB -0.066 38.284 38.487 -0.228 0.000 1.015 443 N HN 0.288 nan 8.380 nan 0.000 0.423 444 L N 0.495 121.375 121.223 -0.572 0.000 2.201 444 L HA -0.066 4.266 4.340 -0.013 0.000 0.212 444 L C 1.906 178.643 176.870 -0.221 0.000 1.105 444 L CA 1.495 56.036 54.840 -0.498 0.000 0.775 444 L CB -0.530 40.943 42.059 -0.977 0.000 0.913 444 L HN 0.364 nan 8.230 nan 0.000 0.440 445 T N -4.779 109.648 114.554 -0.210 0.000 3.086 445 T HA 0.060 4.402 4.350 -0.013 0.000 0.250 445 T C 0.881 175.525 174.700 -0.093 0.000 1.074 445 T CA -0.036 62.034 62.100 -0.049 0.000 0.988 445 T CB -0.212 68.647 68.868 -0.015 0.000 0.988 445 T HN 0.266 nan 8.240 nan 0.000 0.530 446 N N 0.352 118.966 118.700 -0.145 0.000 2.738 446 N HA -0.137 4.595 4.740 -0.013 0.000 0.249 446 N C 0.258 175.686 175.510 -0.136 0.000 1.047 446 N CA 0.383 53.359 53.050 -0.124 0.000 0.707 446 N CB -1.915 36.529 38.487 -0.071 0.000 0.937 446 N HN 0.632 nan 8.380 nan 0.000 0.545 447 L N -0.751 120.349 121.223 -0.205 0.000 2.529 447 L HA 0.265 4.597 4.340 -0.013 0.000 0.223 447 L C 0.671 177.445 176.870 -0.160 0.000 1.113 447 L CA 0.375 55.085 54.840 -0.217 0.000 0.861 447 L CB 0.097 41.919 42.059 -0.396 0.000 1.012 447 L HN 0.270 nan 8.230 nan 0.000 0.461 448 I N 2.215 122.668 120.570 -0.195 0.000 2.328 448 I HA 0.247 4.409 4.170 -0.013 0.000 0.287 448 I C -2.038 173.885 176.117 -0.323 0.000 1.012 448 I CA -1.836 59.297 61.300 -0.278 0.000 1.195 448 I CB 1.425 39.239 38.000 -0.310 0.000 1.350 448 I HN -0.141 nan 8.210 nan 0.000 0.464 449 P HA 0.201 nan 4.420 nan 0.000 0.278 449 P C 0.382 177.517 177.300 -0.276 0.000 1.238 449 P CA -0.360 62.603 63.100 -0.229 0.000 0.794 449 P CB 1.722 33.349 31.700 -0.123 0.000 0.955 450 A N 2.680 125.407 122.820 -0.156 0.000 1.933 450 A HA -0.066 4.246 4.320 -0.013 0.000 0.218 450 A C 0.805 178.352 177.584 -0.062 0.000 1.175 450 A CA 1.388 53.358 52.037 -0.111 0.000 0.628 450 A CB -0.424 18.536 19.000 -0.067 0.000 0.814 450 A HN 0.592 nan 8.150 nan 0.000 0.444 451 D N -1.654 118.725 120.400 -0.035 0.000 2.490 451 D HA 0.515 5.148 4.640 -0.013 0.000 0.232 451 D C -0.751 175.574 176.300 0.042 0.000 1.053 451 D CA -0.493 53.522 54.000 0.025 0.000 0.914 451 D CB 1.565 42.387 40.800 0.036 0.000 1.431 451 D HN 0.110 nan 8.370 nan 0.000 0.483 452 L N 1.418 122.692 121.223 0.084 0.000 2.473 452 L HA 0.202 4.534 4.340 -0.013 0.000 0.268 452 L C -2.020 174.872 176.870 0.036 0.000 1.215 452 L CA -1.338 53.550 54.840 0.080 0.000 0.823 452 L CB -0.228 41.872 42.059 0.070 0.000 1.099 452 L HN 0.078 nan 8.230 nan 0.000 0.483 453 P HA 0.015 nan 4.420 nan 0.000 0.264 453 P C 0.615 177.913 177.300 -0.004 0.000 1.193 453 P CA 0.597 63.706 63.100 0.015 0.000 0.763 453 P CB 0.569 32.280 31.700 0.019 0.000 0.810 454 G N 3.264 112.062 108.800 -0.003 0.000 2.233 454 G HA2 -0.320 3.632 3.960 -0.013 0.000 0.270 454 G HA3 -0.320 3.632 3.960 -0.013 0.000 0.270 454 G C 0.582 175.462 174.900 -0.034 0.000 1.011 454 G CA 0.301 45.391 45.100 -0.016 0.000 0.762 454 G HN 0.662 nan 8.290 nan 0.000 0.511 455 L N -2.663 118.552 121.223 -0.013 0.000 3.976 455 L HA -0.277 4.055 4.340 -0.013 0.000 0.418 455 L C 1.363 178.157 176.870 -0.125 0.000 1.177 455 L CA 1.246 56.077 54.840 -0.015 0.000 0.968 455 L CB -1.420 40.663 42.059 0.041 0.000 1.933 455 L HN 0.744 nan 8.230 nan 0.000 0.976 456 R N 0.392 120.820 120.500 -0.121 0.000 3.416 456 R HA -0.233 4.099 4.340 -0.013 0.000 0.263 456 R C 0.880 177.052 176.300 -0.212 0.000 1.053 456 R CA 1.400 57.391 56.100 -0.181 0.000 0.705 456 R CB -0.887 29.219 30.300 -0.323 0.000 1.124 456 R HN 0.608 nan 8.270 nan 0.000 0.444 457 K N -2.757 117.535 120.400 -0.179 0.000 3.193 457 K HA -0.267 4.045 4.320 -0.013 0.000 0.294 457 K C 0.739 177.131 176.600 -0.346 0.000 1.185 457 K CA 1.111 57.283 56.287 -0.193 0.000 0.866 457 K CB -1.615 30.810 32.500 -0.125 0.000 1.227 457 K HN 0.913 nan 8.250 nan 0.000 0.467 458 G N -0.235 108.227 108.800 -0.565 0.000 2.162 458 G HA2 -0.397 3.555 3.960 -0.013 0.000 0.260 458 G HA3 -0.397 3.555 3.960 -0.013 0.000 0.260 458 G C 0.744 175.181 174.900 -0.771 0.000 0.976 458 G CA 1.355 45.708 45.100 -1.244 0.000 0.655 458 G HN 0.634 nan 8.290 nan 0.000 0.533 459 T N -3.024 111.307 114.554 -0.372 0.000 2.977 459 T HA -0.029 4.313 4.350 -0.013 0.000 0.271 459 T C 1.497 176.185 174.700 -0.019 0.000 1.105 459 T CA 1.757 63.788 62.100 -0.115 0.000 1.116 459 T CB -0.414 68.440 68.868 -0.024 0.000 0.878 459 T HN 0.681 nan 8.240 nan 0.000 0.509 460 H N -0.560 118.398 119.070 -0.186 0.000 2.517 460 H HA 0.329 4.876 4.556 -0.014 0.000 0.282 460 H C 0.072 175.407 175.328 0.011 0.000 1.023 460 H CA -1.092 54.796 56.048 -0.268 0.000 1.169 460 H CB 0.103 29.698 29.762 -0.279 0.000 1.454 460 H HN 0.209 nan 8.280 nan 0.000 0.556 461 F N 0.000 119.943 119.950 -0.012 0.000 2.286 461 F HA 0.000 4.523 4.527 -0.007 0.000 0.279 461 F CA 0.000 57.990 58.000 -0.017 0.000 1.383 461 F CB 0.000 39.000 39.000 -0.000 0.000 1.145 461 F HN 0.000 nan 8.300 nan 0.000 0.574