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 1ahe_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGLYYDET GKIPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKLYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGSGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSSPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VXAVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.261 176.300 -0.064 0.000 1.140 5 M CA 0.000 55.125 55.300 -0.292 0.000 0.988 5 M CB 0.000 32.216 32.600 -0.640 0.000 1.302 6 F N 0.829 120.778 119.950 -0.002 0.000 2.695 6 F HA 0.408 4.934 4.527 -0.002 0.000 0.303 6 F C 1.505 177.304 175.800 -0.002 0.000 1.091 6 F CA 0.205 58.204 58.000 -0.002 0.000 1.300 6 F CB -0.709 38.290 39.000 -0.002 0.000 1.071 6 F HN 0.107 nan 8.300 nan 0.000 0.578 7 E N 1.190 121.467 120.200 0.129 0.000 2.114 7 E HA -0.250 4.099 4.350 -0.001 0.000 0.199 7 E C 1.280 177.920 176.600 0.067 0.000 1.008 7 E CA 1.862 58.307 56.400 0.075 0.000 0.810 7 E CB -0.442 29.276 29.700 0.030 0.000 0.739 7 E HN 0.412 nan 8.360 nan 0.000 0.456 8 N N 0.145 118.886 118.700 0.069 0.000 2.238 8 N HA 0.077 4.816 4.740 -0.001 0.000 0.222 8 N C -0.340 175.200 175.510 0.049 0.000 1.133 8 N CA -0.023 53.056 53.050 0.049 0.000 0.854 8 N CB -0.003 38.506 38.487 0.037 0.000 1.041 8 N HN 0.084 nan 8.380 nan 0.000 0.510 9 I N 1.680 122.289 120.570 0.065 0.000 2.471 9 I HA 0.023 4.192 4.170 -0.001 0.000 0.286 9 I C 0.720 176.848 176.117 0.018 0.000 1.079 9 I CA -0.297 61.027 61.300 0.040 0.000 1.398 9 I CB 0.554 38.573 38.000 0.032 0.000 1.403 9 I HN 0.129 nan 8.210 nan 0.000 0.530 10 T N 3.711 118.270 114.554 0.008 0.000 2.897 10 T HA 0.552 4.901 4.350 -0.001 0.000 0.294 10 T C 0.267 174.961 174.700 -0.009 0.000 1.004 10 T CA -0.903 61.197 62.100 0.001 0.000 1.106 10 T CB 1.394 70.262 68.868 -0.001 0.000 0.949 10 T HN 0.669 nan 8.240 nan 0.000 0.520 11 A N 2.568 125.383 122.820 -0.009 0.000 2.483 11 A HA 0.606 4.925 4.320 -0.001 0.000 0.238 11 A C 0.850 178.423 177.584 -0.019 0.000 1.070 11 A CA -0.184 51.844 52.037 -0.016 0.000 0.770 11 A CB -0.596 18.397 19.000 -0.012 0.000 1.008 11 A HN 1.493 nan 8.150 nan 0.000 0.497 12 A N 2.294 125.099 122.820 -0.025 0.000 2.256 12 A HA 0.779 5.098 4.320 -0.001 0.000 0.318 12 A C -2.258 175.311 177.584 -0.024 0.000 1.103 12 A CA -1.419 50.602 52.037 -0.027 0.000 0.860 12 A CB -0.277 18.703 19.000 -0.034 0.000 1.182 12 A HN 0.742 nan 8.150 nan 0.000 0.501 13 P HA 0.499 nan 4.420 nan 0.000 0.285 13 P C -0.278 177.004 177.300 -0.030 0.000 1.259 13 P CA -0.120 62.965 63.100 -0.025 0.000 0.794 13 P CB 1.045 32.729 31.700 -0.027 0.000 0.940 14 A N 2.219 125.025 122.820 -0.023 0.000 2.466 14 A HA 0.080 4.400 4.320 -0.001 0.000 0.238 14 A C 0.312 177.875 177.584 -0.034 0.000 1.074 14 A CA -0.190 51.834 52.037 -0.023 0.000 0.774 14 A CB -0.406 18.589 19.000 -0.007 0.000 1.015 14 A HN 0.642 nan 8.150 nan 0.000 0.498 15 D N 1.325 121.700 120.400 -0.041 0.000 2.458 15 D HA 0.195 4.834 4.640 -0.001 0.000 0.243 15 D C -1.365 174.906 176.300 -0.048 0.000 1.146 15 D CA -0.845 53.117 54.000 -0.063 0.000 0.877 15 D CB 0.784 41.542 40.800 -0.070 0.000 1.176 15 D HN 0.205 nan 8.370 nan 0.000 0.461 16 P HA -0.027 nan 4.420 nan 0.000 0.230 16 P C 0.692 177.976 177.300 -0.026 0.000 1.158 16 P CA 0.939 64.013 63.100 -0.043 0.000 0.769 16 P CB 0.288 31.951 31.700 -0.061 0.000 0.807 17 I N -2.051 118.495 120.570 -0.041 0.000 3.366 17 I HA -0.005 4.164 4.170 -0.001 0.000 0.267 17 I C 1.899 178.022 176.117 0.011 0.000 1.149 17 I CA 0.069 61.366 61.300 -0.006 0.000 1.436 17 I CB -0.450 37.551 38.000 0.001 0.000 1.379 17 I HN -0.253 nan 8.210 nan 0.000 0.460 18 L N 1.344 122.563 121.223 -0.006 0.000 2.079 18 L HA -0.090 4.249 4.340 -0.001 0.000 0.210 18 L C 2.432 179.309 176.870 0.012 0.000 1.081 18 L CA 2.002 56.843 54.840 0.003 0.000 0.752 18 L CB -1.943 40.111 42.059 -0.009 0.000 0.896 18 L HN 0.295 nan 8.230 nan 0.000 0.433 19 G N -0.287 108.519 108.800 0.011 0.000 2.739 19 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.216 19 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.216 19 G C 1.646 176.580 174.900 0.057 0.000 1.298 19 G CA 0.968 46.084 45.100 0.027 0.000 0.804 19 G HN 0.362 nan 8.290 nan 0.000 0.623 20 L N 0.890 122.164 121.223 0.085 0.000 2.230 20 L HA -0.291 4.048 4.340 -0.001 0.000 0.217 20 L C 3.368 180.303 176.870 0.107 0.000 1.090 20 L CA 1.263 56.193 54.840 0.150 0.000 0.771 20 L CB -0.534 41.627 42.059 0.169 0.000 0.892 20 L HN 0.402 nan 8.230 nan 0.000 0.438 21 A N -0.233 122.618 122.820 0.052 0.000 1.902 21 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 21 A C 1.897 179.528 177.584 0.077 0.000 1.181 21 A CA 1.850 53.907 52.037 0.033 0.000 0.623 21 A CB -0.408 18.592 19.000 0.001 0.000 0.818 21 A HN 0.380 nan 8.150 nan 0.000 0.443 22 D N 0.081 120.515 120.400 0.057 0.000 2.103 22 D HA -0.172 4.467 4.640 -0.001 0.000 0.190 22 D C 1.904 178.235 176.300 0.052 0.000 0.997 22 D CA 1.378 55.406 54.000 0.047 0.000 0.833 22 D CB -0.588 40.232 40.800 0.034 0.000 0.961 22 D HN 0.356 nan 8.370 nan 0.000 0.447 23 L N -0.062 121.209 121.223 0.080 0.000 2.013 23 L HA -0.218 4.122 4.340 -0.001 0.000 0.212 23 L C 2.385 179.265 176.870 0.017 0.000 1.073 23 L CA 1.193 56.094 54.840 0.102 0.000 0.753 23 L CB -0.457 41.740 42.059 0.230 0.000 0.890 23 L HN -0.032 nan 8.230 nan 0.000 0.432 24 F N 0.131 119.933 119.950 -0.246 0.000 2.065 24 F HA -0.299 4.227 4.527 -0.002 0.000 0.298 24 F C 2.726 178.382 175.800 -0.239 0.000 1.112 24 F CA 1.609 59.297 58.000 -0.520 0.000 1.212 24 F CB -0.250 38.429 39.000 -0.535 0.000 0.975 24 F HN -0.054 nan 8.300 nan 0.000 0.476 25 R N 0.383 120.882 120.500 -0.001 0.000 2.094 25 R HA -0.191 4.148 4.340 -0.001 0.000 0.239 25 R C 2.298 178.537 176.300 -0.102 0.000 1.137 25 R CA 1.558 57.643 56.100 -0.025 0.000 0.943 25 R CB -1.643 28.672 30.300 0.025 0.000 0.850 25 R HN 0.404 nan 8.270 nan 0.000 0.433 26 A N 1.267 124.045 122.820 -0.071 0.000 2.178 26 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 26 A C 0.656 178.193 177.584 -0.078 0.000 1.157 26 A CA 0.563 52.567 52.037 -0.056 0.000 0.689 26 A CB -0.330 18.660 19.000 -0.018 0.000 0.787 26 A HN 0.192 nan 8.150 nan 0.000 0.465 27 D N 0.021 120.332 120.400 -0.148 0.000 2.316 27 D HA 0.220 4.859 4.640 -0.001 0.000 0.245 27 D C 0.544 176.749 176.300 -0.159 0.000 1.171 27 D CA -0.112 53.805 54.000 -0.138 0.000 0.856 27 D CB 0.792 41.492 40.800 -0.165 0.000 1.090 27 D HN 0.394 nan 8.370 nan 0.000 0.476 28 E N 2.089 122.234 120.200 -0.091 0.000 2.435 28 E HA 0.001 4.350 4.350 -0.001 0.000 0.195 28 E C 0.265 176.824 176.600 -0.068 0.000 1.029 28 E CA -0.034 56.320 56.400 -0.077 0.000 0.865 28 E CB 0.275 29.947 29.700 -0.048 0.000 0.833 28 E HN 0.258 nan 8.360 nan 0.000 0.510 29 R N 2.215 122.678 120.500 -0.062 0.000 2.614 29 R HA -0.081 4.258 4.340 -0.001 0.000 0.335 29 R C -1.572 174.707 176.300 -0.036 0.000 0.859 29 R CA -0.607 55.472 56.100 -0.036 0.000 1.123 29 R CB 0.064 30.355 30.300 -0.015 0.000 0.887 29 R HN 0.064 nan 8.270 nan 0.000 0.407 30 P HA -0.230 nan 4.420 nan 0.000 0.216 30 P C 0.736 178.040 177.300 0.007 0.000 1.167 30 P CA 1.867 64.963 63.100 -0.007 0.000 0.933 30 P CB 0.064 31.766 31.700 0.003 0.000 0.793 31 G N -0.020 108.795 108.800 0.025 0.000 3.496 31 G HA2 0.093 4.052 3.960 -0.001 0.000 0.273 31 G HA3 0.093 4.052 3.960 -0.001 0.000 0.273 31 G C 0.103 175.049 174.900 0.077 0.000 1.279 31 G CA -0.465 44.663 45.100 0.047 0.000 1.041 31 G HN 0.404 nan 8.290 nan 0.000 0.539 32 K N 0.278 120.715 120.400 0.062 0.000 2.518 32 K HA 0.203 4.522 4.320 -0.001 0.000 0.276 32 K C -0.472 176.286 176.600 0.263 0.000 0.974 32 K CA 0.217 56.585 56.287 0.136 0.000 0.986 32 K CB 0.930 33.381 32.500 -0.080 0.000 0.901 32 K HN -0.013 nan 8.250 nan 0.000 0.497 33 I N 2.163 122.962 120.570 0.382 0.000 2.439 33 I HA 0.092 4.261 4.170 -0.001 0.000 0.285 33 I C -0.823 175.486 176.117 0.321 0.000 1.021 33 I CA -0.908 60.556 61.300 0.273 0.000 1.091 33 I CB 1.410 39.486 38.000 0.127 0.000 1.242 33 I HN 0.706 nan 8.210 nan 0.000 0.439 34 N N 7.638 126.334 118.700 -0.007 0.000 2.500 34 N HA 0.354 5.093 4.740 -0.001 0.000 0.236 34 N C -0.280 175.060 175.510 -0.284 0.000 1.022 34 N CA -0.257 52.553 53.050 -0.400 0.000 0.935 34 N CB 0.583 38.264 38.487 -1.343 0.000 1.147 34 N HN 0.589 nan 8.380 nan 0.000 0.512 35 L N 2.145 123.313 121.223 -0.092 0.000 3.017 35 L HA 0.440 4.779 4.340 -0.001 0.000 0.255 35 L C 1.446 178.335 176.870 0.031 0.000 1.247 35 L CA -0.440 54.361 54.840 -0.066 0.000 1.038 35 L CB 0.395 42.422 42.059 -0.053 0.000 1.380 35 L HN 0.546 nan 8.230 nan 0.000 0.548 36 G N 0.603 109.416 108.800 0.020 0.000 2.549 36 G HA2 0.103 4.062 3.960 -0.001 0.000 0.219 36 G HA3 0.103 4.062 3.960 -0.001 0.000 0.219 36 G C 0.488 175.457 174.900 0.114 0.000 1.677 36 G CA -0.349 44.793 45.100 0.070 0.000 0.929 36 G HN 0.145 nan 8.290 nan 0.000 0.549 37 I N 2.170 122.783 120.570 0.071 0.000 2.880 37 I HA 0.312 4.481 4.170 -0.001 0.000 0.296 37 I C 0.985 177.232 176.117 0.216 0.000 1.220 37 I CA 0.129 61.500 61.300 0.119 0.000 1.435 37 I CB 0.710 38.731 38.000 0.035 0.000 1.339 37 I HN 0.198 nan 8.210 nan 0.000 0.583 38 G N 8.291 117.297 108.800 0.344 0.000 2.741 38 G HA2 0.453 4.412 3.960 -0.001 0.000 0.301 38 G HA3 0.453 4.412 3.960 -0.001 0.000 0.301 38 G C -0.784 174.199 174.900 0.137 0.000 0.834 38 G CA -0.343 44.980 45.100 0.371 0.000 1.683 38 G HN 0.331 nan 8.290 nan 0.000 0.506 39 L N 1.686 122.935 121.223 0.043 0.000 2.381 39 L HA 0.423 4.762 4.340 -0.001 0.000 0.268 39 L C -0.638 176.290 176.870 0.096 0.000 0.997 39 L CA -2.033 52.715 54.840 -0.155 0.000 0.818 39 L CB 1.924 43.734 42.059 -0.414 0.000 1.310 39 L HN 0.517 nan 8.230 nan 0.000 0.416 40 Y N 2.745 123.108 120.300 0.105 0.000 2.350 40 Y HA 0.501 5.050 4.550 -0.002 0.000 0.340 40 Y C -0.998 174.982 175.900 0.133 0.000 1.006 40 Y CA -0.136 58.065 58.100 0.169 0.000 1.166 40 Y CB 0.455 39.062 38.460 0.245 0.000 1.168 40 Y HN 0.454 nan 8.280 nan 0.000 0.502 41 Y N 3.499 123.413 120.300 -0.644 0.000 2.545 41 Y HA 0.342 4.891 4.550 -0.001 0.000 0.324 41 Y C 0.081 175.521 175.900 -0.767 0.000 1.220 41 Y CA -1.013 56.808 58.100 -0.465 0.000 1.290 41 Y CB 0.723 39.025 38.460 -0.263 0.000 1.355 41 Y HN 0.671 nan 8.280 nan 0.000 0.516 42 D N -1.574 118.754 120.400 -0.119 0.000 2.414 42 D HA 0.220 4.859 4.640 -0.001 0.000 0.241 42 D C 0.154 176.454 176.300 -0.001 0.000 1.008 42 D CA -0.667 53.309 54.000 -0.040 0.000 1.001 42 D CB 0.839 41.724 40.800 0.142 0.000 1.277 42 D HN 0.567 nan 8.370 nan 0.000 0.538 43 E N -0.802 119.414 120.200 0.026 0.000 2.236 43 E HA -0.255 4.094 4.350 -0.001 0.000 0.205 43 E C 1.483 178.096 176.600 0.022 0.000 1.028 43 E CA 2.525 58.937 56.400 0.020 0.000 0.827 43 E CB -0.297 29.424 29.700 0.034 0.000 0.735 43 E HN 0.734 nan 8.360 nan 0.000 0.470 44 T N -3.904 110.674 114.554 0.039 0.000 3.107 44 T HA 0.279 4.628 4.350 -0.001 0.000 0.249 44 T C 1.443 176.177 174.700 0.056 0.000 1.096 44 T CA 0.290 62.416 62.100 0.043 0.000 1.012 44 T CB 0.593 69.490 68.868 0.048 0.000 0.977 44 T HN 0.302 nan 8.240 nan 0.000 0.527 45 G N 0.888 109.729 108.800 0.070 0.000 2.132 45 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.228 45 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.228 45 G C -0.152 174.891 174.900 0.239 0.000 1.000 45 G CA 0.169 45.348 45.100 0.131 0.000 0.693 45 G HN 0.830 nan 8.290 nan 0.000 0.515 46 K N 0.264 120.749 120.400 0.142 0.000 2.166 46 K HA 0.780 5.100 4.320 -0.001 0.000 0.245 46 K C 0.224 176.817 176.600 -0.013 0.000 0.967 46 K CA -1.326 55.007 56.287 0.076 0.000 0.863 46 K CB 0.699 33.235 32.500 0.060 0.000 1.107 46 K HN 0.188 nan 8.250 nan 0.000 0.436 47 I N 5.210 125.712 120.570 -0.114 0.000 2.377 47 I HA 0.284 4.453 4.170 -0.001 0.000 0.282 47 I C -1.890 174.250 176.117 0.038 0.000 1.091 47 I CA -1.858 59.366 61.300 -0.127 0.000 1.207 47 I CB 0.780 38.585 38.000 -0.324 0.000 1.429 47 I HN 0.462 nan 8.210 nan 0.000 0.491 48 P HA 0.251 nan 4.420 nan 0.000 0.278 48 P C -0.383 177.002 177.300 0.141 0.000 1.258 48 P CA -0.330 62.842 63.100 0.121 0.000 0.811 48 P CB 1.507 33.288 31.700 0.135 0.000 1.063 49 V N 2.022 122.001 119.914 0.109 0.000 2.461 49 V HA 0.076 4.196 4.120 -0.001 0.000 0.275 49 V C 0.920 177.069 176.094 0.092 0.000 1.047 49 V CA -0.672 61.689 62.300 0.103 0.000 0.955 49 V CB 0.442 32.317 31.823 0.087 0.000 0.988 49 V HN 0.382 nan 8.190 nan 0.000 0.471 50 L N 4.242 125.521 121.223 0.092 0.000 2.506 50 L HA 0.072 4.411 4.340 -0.001 0.000 0.281 50 L C 1.772 178.685 176.870 0.072 0.000 1.228 50 L CA 1.064 55.952 54.840 0.079 0.000 0.850 50 L CB 0.417 42.535 42.059 0.097 0.000 1.110 50 L HN 0.788 nan 8.230 nan 0.000 0.496 51 T N -0.291 114.298 114.554 0.057 0.000 2.867 51 T HA -0.128 4.221 4.350 -0.001 0.000 0.268 51 T C 1.831 176.565 174.700 0.056 0.000 1.057 51 T CA 1.473 63.603 62.100 0.050 0.000 1.136 51 T CB -0.031 68.858 68.868 0.036 0.000 0.874 51 T HN 0.854 nan 8.240 nan 0.000 0.466 52 S N 0.952 116.694 115.700 0.071 0.000 2.399 52 S HA -0.063 4.406 4.470 -0.001 0.000 0.231 52 S C 2.119 176.761 174.600 0.070 0.000 1.022 52 S CA 0.753 59.001 58.200 0.080 0.000 0.983 52 S CB -0.785 62.497 63.200 0.137 0.000 0.803 52 S HN 0.289 nan 8.310 nan 0.000 0.480 53 V N 2.187 122.151 119.914 0.084 0.000 2.323 53 V HA -0.088 4.031 4.120 -0.001 0.000 0.244 53 V C 2.809 178.937 176.094 0.056 0.000 1.041 53 V CA 1.644 63.984 62.300 0.067 0.000 1.025 53 V CB -0.546 31.331 31.823 0.089 0.000 0.656 53 V HN 0.389 nan 8.190 nan 0.000 0.451 54 K N 0.224 120.662 120.400 0.064 0.000 2.103 54 K HA -0.176 4.144 4.320 -0.001 0.000 0.207 54 K C 2.141 178.777 176.600 0.060 0.000 1.048 54 K CA 1.356 57.681 56.287 0.063 0.000 0.930 54 K CB -0.330 32.204 32.500 0.057 0.000 0.716 54 K HN 0.433 nan 8.250 nan 0.000 0.444 55 K N 0.259 120.691 120.400 0.054 0.000 2.026 55 K HA -0.075 4.244 4.320 -0.001 0.000 0.208 55 K C 2.195 178.838 176.600 0.073 0.000 1.048 55 K CA 1.213 57.534 56.287 0.056 0.000 0.929 55 K CB -0.157 32.367 32.500 0.040 0.000 0.713 55 K HN 0.090 nan 8.250 nan 0.000 0.439 56 A N 1.622 124.468 122.820 0.043 0.000 1.940 56 A HA -0.217 4.102 4.320 -0.001 0.000 0.219 56 A C 1.903 179.537 177.584 0.083 0.000 1.176 56 A CA 1.577 53.636 52.037 0.036 0.000 0.631 56 A CB -0.386 18.589 19.000 -0.041 0.000 0.814 56 A HN 0.335 nan 8.150 nan 0.000 0.446 57 E N -1.019 119.216 120.200 0.059 0.000 2.072 57 E HA -0.246 4.104 4.350 -0.001 0.000 0.191 57 E C 2.249 178.907 176.600 0.097 0.000 0.985 57 E CA 1.351 57.803 56.400 0.086 0.000 0.801 57 E CB -0.130 29.646 29.700 0.127 0.000 0.750 57 E HN 0.816 nan 8.360 nan 0.000 0.452 58 Q N 0.088 119.942 119.800 0.091 0.000 2.124 58 Q HA -0.236 4.103 4.340 -0.001 0.000 0.202 58 Q C 1.966 177.998 176.000 0.053 0.000 0.977 58 Q CA 1.441 57.283 55.803 0.065 0.000 0.850 58 Q CB -0.284 28.493 28.738 0.065 0.000 0.901 58 Q HN 0.367 nan 8.270 nan 0.000 0.429 59 Y N 0.413 120.710 120.300 -0.006 0.000 2.165 59 Y HA -0.227 4.323 4.550 -0.001 0.000 0.286 59 Y C 1.534 177.424 175.900 -0.017 0.000 1.155 59 Y CA 1.818 59.909 58.100 -0.015 0.000 1.164 59 Y CB -0.061 38.384 38.460 -0.025 0.000 0.978 59 Y HN 0.145 nan 8.280 nan 0.000 0.513 60 L N -0.611 120.580 121.223 -0.054 0.000 2.072 60 L HA -0.200 4.139 4.340 -0.001 0.000 0.205 60 L C 2.577 179.370 176.870 -0.129 0.000 1.079 60 L CA 0.873 55.644 54.840 -0.115 0.000 0.752 60 L CB -0.678 41.385 42.059 0.007 0.000 0.906 60 L HN 0.322 nan 8.230 nan 0.000 0.436 61 L N 0.231 121.419 121.223 -0.058 0.000 2.021 61 L HA -0.291 4.048 4.340 -0.001 0.000 0.215 61 L C 2.390 179.203 176.870 -0.095 0.000 1.074 61 L CA 1.932 56.744 54.840 -0.047 0.000 0.760 61 L CB -0.174 41.875 42.059 -0.017 0.000 0.889 61 L HN 0.408 nan 8.230 nan 0.000 0.433 62 E N -0.921 119.191 120.200 -0.148 0.000 2.230 62 E HA -0.097 4.252 4.350 -0.001 0.000 0.192 62 E C 1.430 177.893 176.600 -0.229 0.000 0.987 62 E CA 0.685 56.985 56.400 -0.167 0.000 0.841 62 E CB 0.164 29.771 29.700 -0.155 0.000 0.783 62 E HN 0.600 nan 8.360 nan 0.000 0.481 63 N N 0.283 118.770 118.700 -0.355 0.000 2.294 63 N HA 0.044 4.783 4.740 -0.001 0.000 0.186 63 N C 0.333 175.723 175.510 -0.199 0.000 1.107 63 N CA 0.093 52.941 53.050 -0.337 0.000 0.884 63 N CB 0.766 38.895 38.487 -0.596 0.000 1.030 63 N HN 0.146 nan 8.380 nan 0.000 0.482 67 T N 0.293 114.823 114.554 -0.040 0.000 2.840 67 T HA 0.568 4.917 4.350 -0.001 0.000 0.317 67 T C -1.367 173.302 174.700 -0.051 0.000 1.401 67 T CA -0.586 61.488 62.100 -0.044 0.000 1.028 67 T CB 1.768 70.615 68.868 -0.035 0.000 1.317 67 T HN -0.071 nan 8.240 nan 0.000 0.495 68 K N 2.475 122.832 120.400 -0.071 0.000 2.478 68 K HA 0.296 4.615 4.320 -0.001 0.000 0.205 68 K C 0.618 177.137 176.600 -0.134 0.000 1.033 68 K CA -0.388 55.845 56.287 -0.091 0.000 1.091 68 K CB 0.000 32.438 32.500 -0.105 0.000 0.844 68 K HN 0.578 nan 8.250 nan 0.000 0.507 69 L N 2.128 123.290 121.223 -0.103 0.000 2.628 69 L HA -0.134 4.205 4.340 -0.001 0.000 0.292 69 L C -0.136 176.696 176.870 -0.064 0.000 1.250 69 L CA 0.559 55.345 54.840 -0.091 0.000 0.892 69 L CB 0.069 42.117 42.059 -0.019 0.000 1.138 69 L HN 0.221 nan 8.230 nan 0.000 0.502 70 Y N 4.344 124.641 120.300 -0.005 0.000 2.903 70 Y HA -0.106 4.443 4.550 -0.001 0.000 0.338 70 Y C 0.865 176.763 175.900 -0.004 0.000 1.265 70 Y CA 0.338 58.436 58.100 -0.003 0.000 1.532 70 Y CB 0.153 38.612 38.460 -0.002 0.000 1.293 70 Y HN 0.414 nan 8.280 nan 0.000 0.609 71 L N 1.915 123.247 121.223 0.181 0.000 2.469 71 L HA 0.515 4.854 4.340 -0.001 0.000 0.253 71 L C 1.165 178.089 176.870 0.091 0.000 1.143 71 L CA -0.685 54.213 54.840 0.097 0.000 0.804 71 L CB 0.252 42.340 42.059 0.048 0.000 1.214 71 L HN 0.765 nan 8.230 nan 0.000 0.476 72 G N -0.512 108.322 108.800 0.058 0.000 2.572 72 G HA2 0.295 4.254 3.960 -0.001 0.000 0.261 72 G HA3 0.295 4.254 3.960 -0.001 0.000 0.261 72 G C 0.915 175.830 174.900 0.026 0.000 1.197 72 G CA -0.514 44.608 45.100 0.037 0.000 0.870 72 G HN 0.648 nan 8.290 nan 0.000 0.548 73 I N 0.354 120.915 120.570 -0.014 0.000 2.236 73 I HA -0.213 3.956 4.170 -0.001 0.000 0.249 73 I C 1.952 178.067 176.117 -0.002 0.000 1.102 73 I CA 1.727 62.999 61.300 -0.046 0.000 1.365 73 I CB -0.050 37.878 38.000 -0.119 0.000 1.051 73 I HN 0.575 nan 8.210 nan 0.000 0.420 74 D N 0.174 120.597 120.400 0.039 0.000 2.339 74 D HA 0.199 4.838 4.640 -0.001 0.000 0.217 74 D C 1.082 177.465 176.300 0.138 0.000 1.050 74 D CA 0.750 54.830 54.000 0.133 0.000 0.856 74 D CB -0.103 40.863 40.800 0.277 0.000 0.922 74 D HN 0.390 nan 8.370 nan 0.000 0.518 75 G N 1.090 109.938 108.800 0.080 0.000 2.542 75 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.235 75 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.235 75 G C -0.417 174.508 174.900 0.042 0.000 1.286 75 G CA -0.324 44.794 45.100 0.030 0.000 0.904 75 G HN 0.300 nan 8.290 nan 0.000 0.577 76 I N 3.183 123.754 120.570 0.002 0.000 2.436 76 I HA 0.172 4.341 4.170 -0.001 0.000 0.289 76 I C -0.795 175.398 176.117 0.127 0.000 1.083 76 I CA -1.447 59.879 61.300 0.043 0.000 1.372 76 I CB 1.354 39.353 38.000 -0.001 0.000 1.408 76 I HN 0.326 nan 8.210 nan 0.000 0.516 77 P HA -0.173 nan 4.420 nan 0.000 0.215 77 P C 1.071 178.418 177.300 0.079 0.000 1.153 77 P CA 1.360 64.514 63.100 0.089 0.000 0.853 77 P CB 0.264 32.000 31.700 0.060 0.000 0.788 78 E N -0.988 119.250 120.200 0.063 0.000 2.110 78 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 78 E C 1.790 178.403 176.600 0.021 0.000 0.988 78 E CA 0.819 57.235 56.400 0.027 0.000 0.804 78 E CB -1.252 28.451 29.700 0.007 0.000 0.745 78 E HN 0.253 nan 8.360 nan 0.000 0.458 79 F N 0.803 120.701 119.950 -0.085 0.000 2.095 79 F HA -0.134 4.392 4.527 -0.001 0.000 0.298 79 F C 2.166 177.929 175.800 -0.063 0.000 1.104 79 F CA 1.967 59.897 58.000 -0.116 0.000 1.232 79 F CB -0.556 38.370 39.000 -0.123 0.000 0.987 79 F HN 0.067 nan 8.300 nan 0.000 0.475 80 G N -0.442 108.406 108.800 0.080 0.000 2.408 80 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.217 80 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.217 80 G C 1.712 176.563 174.900 -0.082 0.000 1.150 80 G CA 0.649 45.744 45.100 -0.007 0.000 0.776 80 G HN 0.304 nan 8.290 nan 0.000 0.542 81 R N -0.414 120.054 120.500 -0.052 0.000 2.070 81 R HA -0.069 4.270 4.340 -0.001 0.000 0.233 81 R C 2.647 178.892 176.300 -0.092 0.000 1.137 81 R CA 1.843 57.913 56.100 -0.050 0.000 0.945 81 R CB -0.834 29.446 30.300 -0.032 0.000 0.845 81 R HN 0.341 nan 8.270 nan 0.000 0.430 82 C N -0.603 118.609 119.300 -0.146 0.000 2.422 82 C HA -0.067 4.392 4.460 -0.001 0.000 0.279 82 C C 2.532 177.397 174.990 -0.208 0.000 1.305 82 C CA 1.234 60.145 59.018 -0.177 0.000 1.757 82 C CB -0.847 26.752 27.740 -0.236 0.000 1.962 82 C HN 0.602 nan 8.230 nan 0.000 0.499 83 T N 0.290 114.667 114.554 -0.294 0.000 2.812 83 T HA -0.165 4.184 4.350 -0.001 0.000 0.264 83 T C 1.853 176.422 174.700 -0.220 0.000 1.042 83 T CA 1.252 63.191 62.100 -0.269 0.000 1.140 83 T CB -0.252 68.393 68.868 -0.371 0.000 0.870 83 T HN 0.632 nan 8.240 nan 0.000 0.445 84 Q N 0.655 120.368 119.800 -0.145 0.000 2.135 84 Q HA -0.144 4.196 4.340 -0.001 0.000 0.204 84 Q C 2.335 178.311 176.000 -0.041 0.000 0.981 84 Q CA 1.317 57.087 55.803 -0.055 0.000 0.856 84 Q CB -0.123 28.678 28.738 0.104 0.000 0.902 84 Q HN 0.638 nan 8.270 nan 0.000 0.425 85 E N 0.184 120.359 120.200 -0.042 0.000 2.106 85 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 85 E C 1.938 178.505 176.600 -0.055 0.000 0.984 85 E CA 0.509 56.899 56.400 -0.018 0.000 0.806 85 E CB -0.004 29.686 29.700 -0.017 0.000 0.750 85 E HN 0.151 nan 8.360 nan 0.000 0.458 86 L N 0.820 121.985 121.223 -0.096 0.000 2.012 86 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 86 L C 2.122 178.896 176.870 -0.160 0.000 1.073 86 L CA 1.422 56.206 54.840 -0.093 0.000 0.748 86 L CB -0.678 41.325 42.059 -0.093 0.000 0.891 86 L HN 0.113 nan 8.230 nan 0.000 0.431 87 L N -1.535 119.505 121.223 -0.305 0.000 1.937 87 L HA -0.192 4.147 4.340 -0.001 0.000 0.213 87 L C 2.205 178.819 176.870 -0.428 0.000 1.077 87 L CA 2.032 56.569 54.840 -0.506 0.000 0.758 87 L CB -1.163 40.267 42.059 -1.047 0.000 0.888 87 L HN 0.151 nan 8.230 nan 0.000 0.433 88 F N -0.736 119.198 119.950 -0.027 0.000 2.754 88 F HA 0.483 5.009 4.527 -0.001 0.000 0.297 88 F C 1.259 177.044 175.800 -0.024 0.000 1.122 88 F CA 0.164 58.145 58.000 -0.032 0.000 1.400 88 F CB -0.779 38.199 39.000 -0.037 0.000 1.117 88 F HN 0.163 nan 8.300 nan 0.000 0.587 89 G N 0.648 109.515 108.800 0.111 0.000 2.697 89 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.686 89 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.686 89 G C 0.541 175.479 174.900 0.064 0.000 1.179 89 G CA -0.607 44.534 45.100 0.069 0.000 0.765 89 G HN -0.042 nan 8.290 nan 0.000 0.649 90 K N 0.520 120.941 120.400 0.035 0.000 2.031 90 K HA -0.234 4.085 4.320 -0.001 0.000 0.228 90 K C 1.997 178.612 176.600 0.026 0.000 1.050 90 K CA 2.404 58.705 56.287 0.024 0.000 0.980 90 K CB -0.433 32.076 32.500 0.014 0.000 0.738 90 K HN 1.312 nan 8.250 nan 0.000 0.451 91 G N 1.319 110.133 108.800 0.024 0.000 4.486 91 G HA2 0.151 4.110 3.960 -0.001 0.000 0.306 91 G HA3 0.151 4.110 3.960 -0.001 0.000 0.306 91 G C -0.286 174.623 174.900 0.016 0.000 1.331 91 G CA -0.331 44.779 45.100 0.016 0.000 1.113 91 G HN 0.152 nan 8.290 nan 0.000 0.594 92 S N -0.024 115.694 115.700 0.031 0.000 2.573 92 S HA 0.399 4.868 4.470 -0.001 0.000 0.277 92 S C 1.847 176.434 174.600 -0.022 0.000 1.346 92 S CA 0.275 58.483 58.200 0.014 0.000 1.034 92 S CB 1.039 64.264 63.200 0.041 0.000 0.879 92 S HN 0.630 nan 8.310 nan 0.000 0.528 93 A N 4.169 126.964 122.820 -0.042 0.000 2.014 93 A HA 0.045 4.364 4.320 -0.001 0.000 0.218 93 A C 1.917 179.450 177.584 -0.085 0.000 1.163 93 A CA 0.820 52.825 52.037 -0.052 0.000 0.652 93 A CB -0.584 18.385 19.000 -0.052 0.000 0.808 93 A HN 0.755 nan 8.150 nan 0.000 0.449 94 L N -0.189 120.947 121.223 -0.146 0.000 2.127 94 L HA -0.146 4.194 4.340 -0.001 0.000 0.211 94 L C 2.259 179.035 176.870 -0.157 0.000 1.089 94 L CA 1.516 56.216 54.840 -0.234 0.000 0.757 94 L CB -0.371 41.363 42.059 -0.542 0.000 0.899 94 L HN 0.437 nan 8.230 nan 0.000 0.434 95 I N -1.278 119.240 120.570 -0.087 0.000 2.296 95 I HA -0.196 3.973 4.170 -0.001 0.000 0.242 95 I C 2.008 178.106 176.117 -0.032 0.000 1.087 95 I CA 0.616 61.897 61.300 -0.032 0.000 1.393 95 I CB -0.409 37.602 38.000 0.019 0.000 1.093 95 I HN 0.257 nan 8.210 nan 0.000 0.421 96 N N 1.153 119.836 118.700 -0.028 0.000 2.104 96 N HA -0.191 4.549 4.740 -0.001 0.000 0.190 96 N C 1.063 176.556 175.510 -0.029 0.000 1.024 96 N CA 1.450 54.486 53.050 -0.023 0.000 0.853 96 N CB -0.594 37.882 38.487 -0.019 0.000 1.008 96 N HN 0.316 nan 8.380 nan 0.000 0.424 97 D N 0.961 121.336 120.400 -0.041 0.000 2.338 97 D HA -0.017 4.622 4.640 -0.001 0.000 0.239 97 D C 0.234 176.509 176.300 -0.041 0.000 1.095 97 D CA 0.223 54.199 54.000 -0.040 0.000 0.888 97 D CB -0.087 40.686 40.800 -0.045 0.000 0.899 97 D HN -0.084 nan 8.370 nan 0.000 0.525 98 K N 0.280 120.654 120.400 -0.044 0.000 3.071 98 K HA -0.237 4.082 4.320 -0.001 0.000 0.262 98 K C 0.715 177.282 176.600 -0.056 0.000 0.977 98 K CA 0.190 56.450 56.287 -0.044 0.000 0.721 98 K CB -1.265 31.218 32.500 -0.028 0.000 1.293 98 K HN 0.356 nan 8.250 nan 0.000 0.475 99 R N -1.294 119.160 120.500 -0.078 0.000 2.300 99 R HA 0.181 4.520 4.340 -0.001 0.000 0.199 99 R C 0.551 176.790 176.300 -0.101 0.000 0.920 99 R CA 0.777 56.827 56.100 -0.083 0.000 1.046 99 R CB 0.642 30.878 30.300 -0.106 0.000 0.984 99 R HN 0.238 nan 8.270 nan 0.000 0.493 100 A N 1.596 124.348 122.820 -0.114 0.000 2.355 100 A HA 0.612 4.931 4.320 -0.001 0.000 0.317 100 A C -0.606 176.880 177.584 -0.165 0.000 1.094 100 A CA -0.762 51.212 52.037 -0.105 0.000 0.764 100 A CB 1.191 20.172 19.000 -0.033 0.000 1.230 100 A HN 0.004 nan 8.150 nan 0.000 0.448 101 R N 1.556 121.873 120.500 -0.304 0.000 2.561 101 R HA 0.618 4.957 4.340 -0.001 0.000 0.297 101 R C -1.281 174.671 176.300 -0.580 0.000 0.969 101 R CA -0.393 55.320 56.100 -0.645 0.000 0.879 101 R CB 1.804 31.301 30.300 -1.339 0.000 1.178 101 R HN 0.646 nan 8.270 nan 0.000 0.445 102 T N 1.276 115.622 114.554 -0.346 0.000 2.807 102 T HA 0.569 4.918 4.350 -0.001 0.000 0.279 102 T C -0.561 174.249 174.700 0.183 0.000 0.993 102 T CA -0.542 61.532 62.100 -0.043 0.000 0.970 102 T CB 1.757 70.637 68.868 0.019 0.000 0.950 102 T HN 0.632 nan 8.240 nan 0.000 0.441 103 A N 3.237 126.260 122.820 0.339 0.000 2.303 103 A HA 0.567 4.886 4.320 -0.001 0.000 0.320 103 A C 0.058 177.819 177.584 0.294 0.000 1.192 103 A CA -0.725 51.540 52.037 0.380 0.000 0.821 103 A CB 0.765 19.976 19.000 0.351 0.000 1.188 103 A HN 0.783 nan 8.150 nan 0.000 0.492 104 Q N 1.956 121.909 119.800 0.254 0.000 2.313 104 Q HA 0.407 4.746 4.340 -0.001 0.000 0.266 104 Q C 0.001 176.060 176.000 0.098 0.000 0.989 104 Q CA 0.417 56.312 55.803 0.153 0.000 0.890 104 Q CB 0.521 29.157 28.738 -0.169 0.000 1.200 104 Q HN 0.837 nan 8.270 nan 0.000 0.396 105 T N 0.606 115.205 114.554 0.075 0.000 2.888 105 T HA 0.605 4.954 4.350 -0.001 0.000 0.288 105 T C -2.709 171.924 174.700 -0.111 0.000 1.063 105 T CA -2.092 60.026 62.100 0.030 0.000 1.010 105 T CB 1.720 70.649 68.868 0.101 0.000 1.214 105 T HN 0.442 nan 8.240 nan 0.000 0.533 106 P HA 0.448 nan 4.420 nan 0.000 0.241 106 P C 0.638 177.869 177.300 -0.115 0.000 1.780 106 P CA 0.641 63.596 63.100 -0.242 0.000 1.111 106 P CB -0.207 31.253 31.700 -0.399 0.000 1.852 107 G N 2.228 110.996 108.800 -0.052 0.000 2.757 107 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.638 107 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.638 107 G C 0.916 175.815 174.900 -0.002 0.000 1.344 107 G CA -0.465 44.627 45.100 -0.013 0.000 0.855 107 G HN 0.402 nan 8.290 nan 0.000 0.537 108 G N -0.759 108.029 108.800 -0.020 0.000 2.448 108 G HA2 0.133 4.092 3.960 -0.001 0.000 0.218 108 G HA3 0.133 4.092 3.960 -0.001 0.000 0.218 108 G C 2.067 176.988 174.900 0.034 0.000 1.135 108 G CA 2.057 47.146 45.100 -0.018 0.000 0.784 108 G HN 1.212 nan 8.290 nan 0.000 0.543 109 S N 0.478 116.209 115.700 0.052 0.000 2.353 109 S HA -0.096 4.373 4.470 -0.001 0.000 0.222 109 S C 2.516 177.153 174.600 0.062 0.000 1.035 109 S CA 1.556 59.819 58.200 0.106 0.000 1.025 109 S CB -0.591 62.680 63.200 0.118 0.000 0.902 109 S HN 0.505 nan 8.310 nan 0.000 0.440 110 G N 0.512 109.329 108.800 0.027 0.000 2.443 110 G HA2 0.038 3.997 3.960 -0.001 0.000 0.219 110 G HA3 0.038 3.997 3.960 -0.001 0.000 0.219 110 G C 1.473 176.423 174.900 0.083 0.000 1.131 110 G CA 0.885 46.001 45.100 0.027 0.000 0.775 110 G HN 0.571 nan 8.290 nan 0.000 0.547 111 A N 0.446 123.313 122.820 0.079 0.000 1.930 111 A HA 0.116 4.435 4.320 -0.001 0.000 0.217 111 A C 2.298 179.953 177.584 0.119 0.000 1.175 111 A CA 1.130 53.233 52.037 0.110 0.000 0.627 111 A CB -0.330 18.728 19.000 0.097 0.000 0.815 111 A HN 0.288 nan 8.150 nan 0.000 0.443 112 L N -0.395 120.885 121.223 0.094 0.000 2.017 112 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 112 L C 2.512 179.381 176.870 -0.001 0.000 1.073 112 L CA 2.096 56.975 54.840 0.066 0.000 0.745 112 L CB -1.087 40.989 42.059 0.029 0.000 0.894 112 L HN 0.446 nan 8.230 nan 0.000 0.432 113 R N -0.461 120.034 120.500 -0.008 0.000 2.073 113 R HA -0.115 4.224 4.340 -0.001 0.000 0.234 113 R C 2.151 178.506 176.300 0.091 0.000 1.134 113 R CA 1.805 57.907 56.100 0.003 0.000 0.952 113 R CB -0.992 29.324 30.300 0.027 0.000 0.850 113 R HN 0.200 nan 8.270 nan 0.000 0.433 114 V N 0.915 120.909 119.914 0.133 0.000 2.332 114 V HA -0.224 3.895 4.120 -0.001 0.000 0.248 114 V C 2.388 178.601 176.094 0.199 0.000 1.055 114 V CA 2.008 64.402 62.300 0.157 0.000 1.038 114 V CB -1.053 30.867 31.823 0.162 0.000 0.651 114 V HN 0.538 nan 8.190 nan 0.000 0.450 115 A N -0.160 122.787 122.820 0.211 0.000 1.933 115 A HA -0.081 4.238 4.320 -0.001 0.000 0.218 115 A C 2.418 180.226 177.584 0.373 0.000 1.175 115 A CA 2.011 54.231 52.037 0.306 0.000 0.628 115 A CB -0.701 18.474 19.000 0.291 0.000 0.814 115 A HN 0.565 nan 8.150 nan 0.000 0.444 116 A N 0.131 123.130 122.820 0.298 0.000 1.858 116 A HA -0.181 4.139 4.320 -0.001 0.000 0.216 116 A C 1.815 179.528 177.584 0.215 0.000 1.190 116 A CA 1.866 54.084 52.037 0.302 0.000 0.617 116 A CB -0.629 18.478 19.000 0.178 0.000 0.827 116 A HN 0.436 nan 8.150 nan 0.000 0.443 117 D N -1.024 119.482 120.400 0.176 0.000 2.117 117 D HA -0.143 4.496 4.640 -0.001 0.000 0.197 117 D C 1.640 178.038 176.300 0.163 0.000 0.987 117 D CA 1.457 55.538 54.000 0.136 0.000 0.829 117 D CB -0.473 40.397 40.800 0.115 0.000 0.961 117 D HN 0.499 nan 8.370 nan 0.000 0.460 118 F N 1.106 121.102 119.950 0.077 0.000 2.102 118 F HA -0.195 4.331 4.527 -0.001 0.000 0.298 118 F C 1.946 177.796 175.800 0.084 0.000 1.105 118 F CA 0.941 58.985 58.000 0.074 0.000 1.239 118 F CB -0.265 38.788 39.000 0.088 0.000 0.991 118 F HN -0.134 nan 8.300 nan 0.000 0.474 119 L N 1.068 122.256 121.223 -0.059 0.000 1.976 119 L HA -0.105 4.234 4.340 -0.001 0.000 0.209 119 L C 2.824 179.627 176.870 -0.111 0.000 1.071 119 L CA 2.087 56.840 54.840 -0.145 0.000 0.746 119 L CB -1.924 40.197 42.059 0.102 0.000 0.890 119 L HN 0.299 nan 8.230 nan 0.000 0.432 120 A N -1.369 121.446 122.820 -0.007 0.000 1.940 120 A HA -0.220 4.099 4.320 -0.001 0.000 0.219 120 A C 2.281 179.845 177.584 -0.034 0.000 1.176 120 A CA 1.695 53.731 52.037 -0.000 0.000 0.631 120 A CB -0.363 18.661 19.000 0.040 0.000 0.814 120 A HN 0.352 nan 8.150 nan 0.000 0.446 121 K N -1.103 119.264 120.400 -0.055 0.000 2.379 121 K HA 0.097 4.417 4.320 -0.001 0.000 0.194 121 K C 0.186 176.724 176.600 -0.103 0.000 1.031 121 K CA 0.300 56.553 56.287 -0.056 0.000 1.037 121 K CB 0.161 32.648 32.500 -0.022 0.000 0.824 121 K HN 0.481 nan 8.250 nan 0.000 0.516 122 N N 0.482 119.057 118.700 -0.208 0.000 2.116 122 N HA -0.003 4.736 4.740 -0.001 0.000 0.230 122 N C -0.060 175.320 175.510 -0.217 0.000 1.326 122 N CA 0.179 53.094 53.050 -0.225 0.000 0.867 122 N CB 1.652 39.915 38.487 -0.374 0.000 1.174 122 N HN 0.148 nan 8.380 nan 0.000 0.506 123 T N -2.257 112.188 114.554 -0.182 0.000 2.812 123 T HA 0.322 4.671 4.350 -0.001 0.000 0.294 123 T C 0.456 175.125 174.700 -0.053 0.000 1.159 123 T CA -0.511 61.520 62.100 -0.115 0.000 1.008 123 T CB 1.558 70.344 68.868 -0.137 0.000 1.289 123 T HN -0.086 nan 8.240 nan 0.000 0.514 124 S N -0.149 115.541 115.700 -0.017 0.000 2.583 124 S HA 0.324 4.793 4.470 -0.001 0.000 0.239 124 S C 0.392 175.000 174.600 0.013 0.000 0.966 124 S CA -0.548 57.651 58.200 -0.001 0.000 0.973 124 S CB -0.627 62.580 63.200 0.013 0.000 0.794 124 S HN 0.687 nan 8.310 nan 0.000 0.463 125 V N 3.325 123.246 119.914 0.011 0.000 2.509 125 V HA 0.117 4.236 4.120 -0.001 0.000 0.297 125 V C 0.615 176.719 176.094 0.017 0.000 1.014 125 V CA 0.455 62.771 62.300 0.027 0.000 1.127 125 V CB 0.199 32.038 31.823 0.027 0.000 0.925 125 V HN 0.541 nan 8.190 nan 0.000 0.480 134 W N 4.428 125.554 121.300 -0.289 0.000 2.335 134 W HA 0.717 5.376 4.660 -0.001 0.000 0.307 134 W C 0.105 176.497 176.519 -0.212 0.000 1.117 134 W CA -0.567 56.663 57.345 -0.193 0.000 1.228 134 W CB 1.778 31.154 29.460 -0.141 0.000 1.240 134 W HN 0.599 nan 8.180 nan 0.000 0.468 135 V N 1.246 121.067 119.914 -0.156 0.000 2.919 135 V HA 0.759 4.878 4.120 -0.001 0.000 0.316 135 V C 0.243 175.919 176.094 -0.696 0.000 1.077 135 V CA -1.181 60.938 62.300 -0.302 0.000 0.977 135 V CB 1.321 33.053 31.823 -0.152 0.000 1.039 135 V HN 0.501 nan 8.190 nan 0.000 0.441 136 S N 2.267 117.466 115.700 -0.835 0.000 2.585 136 S HA 0.291 4.760 4.470 -0.001 0.000 0.273 136 S C -0.079 174.304 174.600 -0.361 0.000 1.339 136 S CA -0.316 57.321 58.200 -0.937 0.000 1.028 136 S CB 0.415 63.165 63.200 -0.751 0.000 0.906 136 S HN 1.209 nan 8.310 nan 0.000 0.528 137 N N 2.357 120.930 118.700 -0.213 0.000 2.483 137 N HA 0.388 5.127 4.740 -0.001 0.000 0.267 137 N C -3.007 172.551 175.510 0.080 0.000 0.998 137 N CA -1.857 51.171 53.050 -0.037 0.000 0.918 137 N CB 1.750 40.238 38.487 0.002 0.000 1.215 137 N HN 0.435 nan 8.380 nan 0.000 0.500 138 P HA 0.282 nan 4.420 nan 0.000 0.279 138 P C -0.712 176.573 177.300 -0.024 0.000 1.276 138 P CA -0.306 62.800 63.100 0.011 0.000 0.801 138 P CB 1.665 33.350 31.700 -0.025 0.000 1.127 139 S N -1.467 114.227 115.700 -0.010 0.000 2.851 139 S HA 0.521 4.991 4.470 -0.001 0.000 0.313 139 S C -1.861 172.791 174.600 0.087 0.000 1.163 139 S CA -0.650 57.578 58.200 0.046 0.000 0.850 139 S CB 0.161 63.460 63.200 0.165 0.000 1.245 139 S HN 0.436 nan 8.310 nan 0.000 0.558 140 W N 3.652 124.920 121.300 -0.053 0.000 2.388 140 W HA 0.422 5.081 4.660 -0.002 0.000 0.308 140 W C -2.056 174.351 176.519 -0.188 0.000 1.263 140 W CA -2.044 55.182 57.345 -0.199 0.000 1.286 140 W CB 0.509 29.734 29.460 -0.392 0.000 1.294 140 W HN 0.512 nan 8.180 nan 0.000 0.493 141 P HA -0.326 nan 4.420 nan 0.000 0.216 141 P C 1.278 178.223 177.300 -0.591 0.000 1.154 141 P CA 1.988 64.804 63.100 -0.473 0.000 0.865 141 P CB 0.060 31.532 31.700 -0.380 0.000 0.789 142 N N -1.596 116.412 118.700 -1.153 0.000 2.453 142 N HA -0.148 4.591 4.740 -0.001 0.000 0.183 142 N C 1.649 176.895 175.510 -0.439 0.000 1.041 142 N CA 0.321 52.816 53.050 -0.924 0.000 0.900 142 N CB -0.222 37.431 38.487 -1.390 0.000 0.961 142 N HN 0.346 nan 8.380 nan 0.000 0.443 143 H N 0.333 119.277 119.070 -0.211 0.000 2.319 143 H HA -0.091 4.464 4.556 -0.001 0.000 0.299 143 H C 2.231 177.632 175.328 0.121 0.000 1.092 143 H CA 1.151 57.262 56.048 0.104 0.000 1.302 143 H CB 0.259 30.200 29.762 0.298 0.000 1.373 143 H HN 0.078 nan 8.280 nan 0.000 0.497 144 K N 0.529 121.026 120.400 0.163 0.000 2.032 144 K HA -0.148 4.171 4.320 -0.001 0.000 0.209 144 K C 2.367 178.993 176.600 0.043 0.000 1.048 144 K CA 1.700 58.049 56.287 0.103 0.000 0.927 144 K CB -0.000 32.504 32.500 0.007 0.000 0.712 144 K HN 0.241 nan 8.250 nan 0.000 0.441 145 S N 0.908 116.578 115.700 -0.049 0.000 2.368 145 S HA -0.146 4.324 4.470 -0.001 0.000 0.225 145 S C 2.183 176.729 174.600 -0.089 0.000 1.030 145 S CA 1.574 59.729 58.200 -0.076 0.000 0.999 145 S CB -0.766 62.360 63.200 -0.123 0.000 0.844 145 S HN 0.340 nan 8.310 nan 0.000 0.459 146 V N -0.225 119.589 119.914 -0.167 0.000 2.237 146 V HA -0.124 3.996 4.120 -0.001 0.000 0.245 146 V C 2.007 177.925 176.094 -0.294 0.000 1.046 146 V CA 1.538 63.665 62.300 -0.290 0.000 1.007 146 V CB -1.491 30.069 31.823 -0.440 0.000 0.638 146 V HN 0.306 nan 8.190 nan 0.000 0.445 147 F N 1.884 121.855 119.950 0.035 0.000 2.126 147 F HA -0.069 4.458 4.527 -0.001 0.000 0.299 147 F C 2.512 178.310 175.800 -0.003 0.000 1.096 147 F CA 1.947 59.956 58.000 0.015 0.000 1.255 147 F CB -1.305 37.692 39.000 -0.006 0.000 0.997 147 F HN 0.197 nan 8.300 nan 0.000 0.479 148 N N -0.068 118.716 118.700 0.139 0.000 2.149 148 N HA -0.148 4.591 4.740 -0.001 0.000 0.188 148 N C 1.919 177.449 175.510 0.034 0.000 1.019 148 N CA 1.487 54.575 53.050 0.063 0.000 0.857 148 N CB -0.704 37.798 38.487 0.024 0.000 0.997 148 N HN 0.129 nan 8.380 nan 0.000 0.426 149 S N 0.078 115.787 115.700 0.014 0.000 2.442 149 S HA 0.015 4.484 4.470 -0.001 0.000 0.236 149 S C 1.614 176.225 174.600 0.020 0.000 1.007 149 S CA 0.852 59.053 58.200 0.003 0.000 0.965 149 S CB -0.026 63.163 63.200 -0.018 0.000 0.773 149 S HN 0.491 nan 8.310 nan 0.000 0.504 150 A N 0.209 123.056 122.820 0.044 0.000 2.345 150 A HA 0.554 4.873 4.320 -0.001 0.000 0.225 150 A C 1.392 179.011 177.584 0.058 0.000 1.243 150 A CA 0.411 52.483 52.037 0.059 0.000 0.875 150 A CB -0.570 18.487 19.000 0.095 0.000 0.929 150 A HN 0.753 nan 8.150 nan 0.000 0.502 151 G N -1.030 107.799 108.800 0.048 0.000 2.198 151 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.257 151 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.257 151 G C -0.168 174.755 174.900 0.037 0.000 1.042 151 G CA 0.460 45.580 45.100 0.034 0.000 0.791 151 G HN 0.314 nan 8.290 nan 0.000 0.502 155 V N 4.490 124.286 119.914 -0.198 0.000 2.384 155 V HA 0.550 4.670 4.120 -0.001 0.000 0.287 155 V C -0.049 175.812 176.094 -0.389 0.000 1.020 155 V CA -0.455 61.687 62.300 -0.264 0.000 0.850 155 V CB 1.383 33.135 31.823 -0.118 0.000 0.987 155 V HN 0.513 nan 8.190 nan 0.000 0.436 156 R N 3.321 123.427 120.500 -0.656 0.000 2.778 156 R HA 0.676 5.016 4.340 -0.001 0.000 0.277 156 R C -0.914 175.055 176.300 -0.552 0.000 0.977 156 R CA -0.841 54.757 56.100 -0.837 0.000 0.950 156 R CB 2.628 31.897 30.300 -1.718 0.000 1.165 156 R HN 0.688 nan 8.270 nan 0.000 0.474 157 E N 1.510 121.537 120.200 -0.288 0.000 2.195 157 E HA 0.243 4.592 4.350 -0.001 0.000 0.271 157 E C -1.301 175.413 176.600 0.191 0.000 0.923 157 E CA -0.777 55.569 56.400 -0.091 0.000 0.790 157 E CB 1.569 31.206 29.700 -0.104 0.000 1.155 157 E HN 0.420 nan 8.360 nan 0.000 0.402 158 Y N 0.085 120.519 120.300 0.223 0.000 2.409 158 Y HA 0.729 5.278 4.550 -0.001 0.000 0.339 158 Y C -0.090 175.908 175.900 0.164 0.000 1.033 158 Y CA -1.694 56.532 58.100 0.210 0.000 1.094 158 Y CB 0.637 39.176 38.460 0.133 0.000 1.210 158 Y HN 0.546 nan 8.280 nan 0.000 0.456 159 A N 2.818 125.843 122.820 0.342 0.000 2.507 159 A HA 0.269 4.588 4.320 -0.001 0.000 0.235 159 A C -0.455 177.372 177.584 0.405 0.000 1.070 159 A CA 0.805 53.002 52.037 0.265 0.000 0.768 159 A CB -0.208 18.891 19.000 0.166 0.000 1.011 159 A HN 1.142 nan 8.150 nan 0.000 0.502 160 Y N -0.500 119.879 120.300 0.131 0.000 2.773 160 Y HA 0.183 4.733 4.550 -0.001 0.000 0.263 160 Y C -0.411 175.563 175.900 0.125 0.000 1.106 160 Y CA 0.106 58.281 58.100 0.126 0.000 1.153 160 Y CB 0.057 38.549 38.460 0.053 0.000 1.388 160 Y HN 0.702 nan 8.280 nan 0.000 0.514 161 Y N 2.568 122.896 120.300 0.046 0.000 2.387 161 Y HA 0.497 5.046 4.550 -0.001 0.000 0.336 161 Y C -0.805 175.080 175.900 -0.024 0.000 1.067 161 Y CA -1.389 56.695 58.100 -0.027 0.000 1.114 161 Y CB 1.105 39.628 38.460 0.106 0.000 1.208 161 Y HN 0.108 nan 8.280 nan 0.000 0.458 162 D N 4.555 124.599 120.400 -0.593 0.000 2.467 162 D HA 0.316 4.955 4.640 -0.001 0.000 0.220 162 D C 0.647 176.331 176.300 -1.025 0.000 1.103 162 D CA 0.319 53.969 54.000 -0.584 0.000 0.886 162 D CB 1.204 41.780 40.800 -0.372 0.000 1.025 162 D HN 0.815 nan 8.370 nan 0.000 0.514 163 A N 4.511 126.877 122.820 -0.757 0.000 1.873 163 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 163 A C 1.868 179.012 177.584 -0.734 0.000 1.193 163 A CA 1.540 53.200 52.037 -0.628 0.000 0.629 163 A CB -0.383 18.488 19.000 -0.216 0.000 0.826 163 A HN 0.693 nan 8.150 nan 0.000 0.447 164 E N 0.105 120.009 120.200 -0.493 0.000 2.013 164 E HA -0.245 4.104 4.350 -0.001 0.000 0.202 164 E C 1.636 177.929 176.600 -0.511 0.000 1.018 164 E CA 1.622 57.781 56.400 -0.403 0.000 0.834 164 E CB -0.474 29.090 29.700 -0.227 0.000 0.770 164 E HN 0.975 nan 8.360 nan 0.000 0.459 165 N N -0.137 118.318 118.700 -0.409 0.000 2.521 165 N HA -0.076 4.663 4.740 -0.001 0.000 0.188 165 N C -0.567 174.807 175.510 -0.226 0.000 1.146 165 N CA 0.219 53.114 53.050 -0.257 0.000 0.893 165 N CB -0.102 38.329 38.487 -0.094 0.000 0.975 165 N HN 0.209 nan 8.380 nan 0.000 0.451 166 H N -0.586 118.240 119.070 -0.406 0.000 2.756 166 H HA -0.160 4.395 4.556 -0.001 0.000 0.315 166 H C -0.276 175.010 175.328 -0.070 0.000 1.210 166 H CA 1.187 57.043 56.048 -0.320 0.000 1.150 166 H CB -1.730 27.773 29.762 -0.431 0.000 1.463 166 H HN 0.466 nan 8.280 nan 0.000 0.427 167 T N -1.479 112.965 114.554 -0.182 0.000 2.671 167 T HA 0.460 4.809 4.350 -0.001 0.000 0.300 167 T C -0.964 173.689 174.700 -0.079 0.000 1.238 167 T CA -0.894 61.203 62.100 -0.006 0.000 1.020 167 T CB 1.285 70.140 68.868 -0.022 0.000 1.503 167 T HN 0.231 nan 8.240 nan 0.000 0.497 168 L N 2.531 123.703 121.223 -0.085 0.000 2.361 168 L HA 0.350 4.690 4.340 -0.001 0.000 0.278 168 L C -0.425 176.357 176.870 -0.146 0.000 1.113 168 L CA -0.126 54.584 54.840 -0.217 0.000 0.849 168 L CB 0.601 42.516 42.059 -0.240 0.000 1.155 168 L HN 0.674 nan 8.230 nan 0.000 0.452 169 D N 4.279 124.584 120.400 -0.157 0.000 2.524 169 D HA -0.005 4.634 4.640 -0.001 0.000 0.222 169 D C 0.855 177.164 176.300 0.014 0.000 1.142 169 D CA -0.216 53.746 54.000 -0.064 0.000 0.973 169 D CB 0.357 41.115 40.800 -0.069 0.000 1.025 169 D HN 0.389 nan 8.370 nan 0.000 0.519 170 F N 2.211 122.085 119.950 -0.127 0.000 2.091 170 F HA -0.230 4.296 4.527 -0.002 0.000 0.299 170 F C 1.714 177.488 175.800 -0.043 0.000 1.103 170 F CA 1.486 59.432 58.000 -0.090 0.000 1.228 170 F CB 0.179 39.132 39.000 -0.078 0.000 0.984 170 F HN 0.344 nan 8.300 nan 0.000 0.477 171 D N 0.069 120.481 120.400 0.020 0.000 2.084 171 D HA -0.196 4.443 4.640 -0.001 0.000 0.194 171 D C 2.384 178.629 176.300 -0.091 0.000 0.990 171 D CA 1.589 55.554 54.000 -0.059 0.000 0.826 171 D CB -0.930 39.865 40.800 -0.007 0.000 0.971 171 D HN 0.337 nan 8.370 nan 0.000 0.453 172 A N 1.639 124.432 122.820 -0.045 0.000 1.978 172 A HA -0.159 4.160 4.320 -0.001 0.000 0.220 172 A C 2.166 179.738 177.584 -0.020 0.000 1.170 172 A CA 0.828 52.853 52.037 -0.019 0.000 0.636 172 A CB -0.667 18.337 19.000 0.007 0.000 0.810 172 A HN 0.189 nan 8.150 nan 0.000 0.448 173 L N -0.195 120.989 121.223 -0.066 0.000 1.955 173 L HA -0.170 4.169 4.340 -0.001 0.000 0.213 173 L C 2.416 179.179 176.870 -0.178 0.000 1.072 173 L CA 2.303 57.102 54.840 -0.067 0.000 0.755 173 L CB -1.071 40.881 42.059 -0.179 0.000 0.888 173 L HN 0.449 nan 8.230 nan 0.000 0.432 174 I N 0.461 120.833 120.570 -0.329 0.000 2.163 174 I HA -0.370 3.799 4.170 -0.001 0.000 0.243 174 I C 2.014 178.051 176.117 -0.133 0.000 1.085 174 I CA 1.889 63.028 61.300 -0.268 0.000 1.347 174 I CB -0.274 37.499 38.000 -0.379 0.000 1.044 174 I HN 0.442 nan 8.210 nan 0.000 0.408 175 N N -0.029 118.609 118.700 -0.102 0.000 2.289 175 N HA -0.168 4.571 4.740 -0.001 0.000 0.184 175 N C 1.767 177.257 175.510 -0.033 0.000 1.016 175 N CA 1.428 54.447 53.050 -0.051 0.000 0.872 175 N CB -0.184 38.285 38.487 -0.030 0.000 0.973 175 N HN 0.392 nan 8.380 nan 0.000 0.433 176 S N 0.179 115.862 115.700 -0.027 0.000 2.458 176 S HA 0.111 4.581 4.470 -0.001 0.000 0.223 176 S C 1.643 176.153 174.600 -0.149 0.000 1.019 176 S CA 0.179 58.382 58.200 0.006 0.000 0.937 176 S CB -0.315 62.963 63.200 0.129 0.000 0.788 176 S HN 0.186 nan 8.310 nan 0.000 0.511 177 L N 1.927 122.994 121.223 -0.260 0.000 2.551 177 L HA 0.096 4.436 4.340 -0.001 0.000 0.228 177 L C 2.488 179.177 176.870 -0.302 0.000 1.153 177 L CA 0.336 54.852 54.840 -0.541 0.000 0.851 177 L CB -0.654 41.049 42.059 -0.593 0.000 0.959 177 L HN 0.450 nan 8.230 nan 0.000 0.451 178 N N 0.782 119.410 118.700 -0.121 0.000 2.205 178 N HA -0.199 4.540 4.740 -0.001 0.000 0.186 178 N C 1.097 176.578 175.510 -0.049 0.000 1.015 178 N CA 1.249 54.285 53.050 -0.023 0.000 0.862 178 N CB 0.177 38.659 38.487 -0.008 0.000 0.986 178 N HN 0.563 nan 8.380 nan 0.000 0.429 179 E N 0.133 120.257 120.200 -0.127 0.000 2.502 179 E HA 0.122 4.471 4.350 -0.001 0.000 0.194 179 E C 0.170 176.698 176.600 -0.120 0.000 1.062 179 E CA -0.222 56.154 56.400 -0.040 0.000 0.867 179 E CB 0.225 29.996 29.700 0.119 0.000 0.888 179 E HN 0.205 nan 8.360 nan 0.000 0.510 180 A N 2.091 124.611 122.820 -0.500 0.000 2.347 180 A HA 0.098 4.417 4.320 -0.001 0.000 0.287 180 A C 0.234 177.799 177.584 -0.031 0.000 1.199 180 A CA -0.360 51.283 52.037 -0.657 0.000 0.851 180 A CB 0.233 18.294 19.000 -1.565 0.000 1.118 180 A HN 0.098 nan 8.150 nan 0.000 0.525 181 Q N 0.900 120.772 119.800 0.120 0.000 2.471 181 Q HA 0.431 4.770 4.340 -0.001 0.000 0.223 181 Q C 0.506 176.658 176.000 0.254 0.000 1.045 181 Q CA -0.009 55.901 55.803 0.178 0.000 0.956 181 Q CB 0.624 29.457 28.738 0.159 0.000 1.249 181 Q HN 0.864 nan 8.270 nan 0.000 0.549 182 A N -0.023 122.918 122.820 0.201 0.000 2.388 182 A HA 0.475 4.794 4.320 -0.001 0.000 0.257 182 A C 0.978 178.679 177.584 0.195 0.000 1.095 182 A CA 0.544 52.706 52.037 0.208 0.000 0.791 182 A CB -0.313 18.753 19.000 0.109 0.000 1.029 182 A HN 0.916 nan 8.150 nan 0.000 0.489 183 G N 1.747 110.683 108.800 0.227 0.000 2.175 183 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.244 183 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.244 183 G C 0.007 175.015 174.900 0.179 0.000 0.982 183 G CA 0.388 45.596 45.100 0.180 0.000 0.641 183 G HN 0.843 nan 8.290 nan 0.000 0.527 184 D N -0.148 120.379 120.400 0.211 0.000 2.344 184 D HA 0.523 5.162 4.640 -0.001 0.000 0.244 184 D C 0.615 177.002 176.300 0.145 0.000 1.134 184 D CA -0.076 54.030 54.000 0.177 0.000 0.930 184 D CB 1.553 42.467 40.800 0.190 0.000 1.175 184 D HN 0.143 nan 8.370 nan 0.000 0.437 185 V N 1.856 121.830 119.914 0.100 0.000 2.481 185 V HA 0.341 4.460 4.120 -0.001 0.000 0.286 185 V C -0.069 176.007 176.094 -0.030 0.000 1.042 185 V CA -0.633 61.692 62.300 0.042 0.000 0.928 185 V CB 1.744 33.549 31.823 -0.031 0.000 0.986 185 V HN 0.233 nan 8.190 nan 0.000 0.462 186 V N 6.149 126.004 119.914 -0.099 0.000 2.409 186 V HA 0.427 4.546 4.120 -0.001 0.000 0.291 186 V C -0.272 175.558 176.094 -0.440 0.000 1.020 186 V CA -0.503 61.606 62.300 -0.317 0.000 0.848 186 V CB 1.636 33.114 31.823 -0.575 0.000 0.990 186 V HN 0.699 nan 8.190 nan 0.000 0.430 187 L N 5.727 126.702 121.223 -0.414 0.000 2.275 187 L HA 0.638 4.977 4.340 -0.001 0.000 0.288 187 L C -1.205 175.388 176.870 -0.462 0.000 1.046 187 L CA 0.070 54.678 54.840 -0.388 0.000 0.805 187 L CB 0.607 42.473 42.059 -0.322 0.000 1.193 187 L HN 0.481 nan 8.230 nan 0.000 0.426 188 F N 2.259 122.044 119.950 -0.275 0.000 2.508 188 F HA 0.399 4.925 4.527 -0.001 0.000 0.325 188 F C -0.170 175.530 175.800 -0.167 0.000 1.090 188 F CA -0.672 57.186 58.000 -0.238 0.000 0.945 188 F CB 1.278 39.845 39.000 -0.722 0.000 1.156 188 F HN 0.392 nan 8.300 nan 0.000 0.463 189 H N 0.945 120.134 119.070 0.198 0.000 2.604 189 H HA 0.293 4.848 4.556 -0.001 0.000 0.306 189 H C 1.178 176.666 175.328 0.266 0.000 1.075 189 H CA -0.010 56.155 56.048 0.194 0.000 1.357 189 H CB 1.290 31.166 29.762 0.191 0.000 1.426 189 H HN 0.799 nan 8.280 nan 0.000 0.470 190 G N 2.312 111.200 108.800 0.147 0.000 2.469 190 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.220 190 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.220 190 G C 0.272 175.167 174.900 -0.009 0.000 1.136 190 G CA 1.137 46.049 45.100 -0.314 0.000 0.759 190 G HN 0.820 nan 8.290 nan 0.000 0.562 191 C N -5.262 114.220 119.300 0.303 0.000 3.292 191 C HA 0.484 4.943 4.460 -0.001 0.000 0.338 191 C C 0.402 175.646 174.990 0.425 0.000 1.323 191 C CA -0.911 58.362 59.018 0.425 0.000 1.232 191 C CB 0.612 28.618 27.740 0.444 0.000 1.517 191 C HN 0.937 nan 8.230 nan 0.000 0.470 192 C N 2.446 121.947 119.300 0.336 0.000 4.056 192 C HA -0.128 4.331 4.460 -0.001 0.000 0.302 192 C C 0.616 175.715 174.990 0.182 0.000 1.356 192 C CA 1.170 60.305 59.018 0.195 0.000 2.074 192 C CB -3.377 24.392 27.740 0.048 0.000 1.328 192 C HN 1.284 nan 8.230 nan 0.000 0.684 193 H N 1.697 120.861 119.070 0.157 0.000 3.195 193 H HA -0.006 4.550 4.556 -0.001 0.000 0.302 193 H C 0.512 175.818 175.328 -0.037 0.000 0.950 193 H CA 1.419 57.469 56.048 0.003 0.000 1.398 193 H CB 0.483 30.195 29.762 -0.082 0.000 1.377 193 H HN 0.693 nan 8.280 nan 0.000 0.572 194 N N 6.969 125.437 118.700 -0.386 0.000 2.444 194 N HA 0.163 4.902 4.740 -0.001 0.000 0.262 194 N C -2.119 173.142 175.510 -0.415 0.000 0.974 194 N CA -2.274 50.651 53.050 -0.209 0.000 0.933 194 N CB 1.534 40.020 38.487 -0.003 0.000 1.137 194 N HN 0.379 nan 8.380 nan 0.000 0.498 195 P HA 0.091 nan 4.420 nan 0.000 0.264 195 P C 0.995 178.071 177.300 -0.373 0.000 1.259 195 P CA 0.367 63.226 63.100 -0.401 0.000 0.841 195 P CB 0.251 31.633 31.700 -0.530 0.000 1.232 196 T N -3.063 111.276 114.554 -0.358 0.000 2.746 196 T HA 0.045 4.394 4.350 -0.001 0.000 0.267 196 T C 1.772 176.498 174.700 0.043 0.000 1.039 196 T CA 1.796 63.691 62.100 -0.342 0.000 1.142 196 T CB -1.457 67.140 68.868 -0.452 0.000 0.866 196 T HN 0.208 nan 8.240 nan 0.000 0.444 197 G N 1.112 110.005 108.800 0.155 0.000 2.176 197 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.253 197 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.253 197 G C -0.022 175.001 174.900 0.205 0.000 0.979 197 G CA 0.050 45.260 45.100 0.184 0.000 0.641 197 G HN 0.627 nan 8.290 nan 0.000 0.530 198 I N 1.902 122.599 120.570 0.212 0.000 2.321 198 I HA 0.472 4.641 4.170 -0.001 0.000 0.291 198 I C -0.591 175.648 176.117 0.205 0.000 0.998 198 I CA -1.029 60.383 61.300 0.188 0.000 1.227 198 I CB 1.140 39.234 38.000 0.157 0.000 1.368 198 I HN -0.043 nan 8.210 nan 0.000 0.466 199 D N 7.566 128.064 120.400 0.163 0.000 2.350 199 D HA 0.538 5.177 4.640 -0.001 0.000 0.238 199 D C -2.424 173.842 176.300 -0.058 0.000 0.989 199 D CA -1.293 52.795 54.000 0.148 0.000 0.921 199 D CB 1.807 42.770 40.800 0.272 0.000 1.297 199 D HN 0.183 nan 8.370 nan 0.000 0.490 200 P HA 0.166 nan 4.420 nan 0.000 0.274 200 P C -0.125 176.937 177.300 -0.396 0.000 1.231 200 P CA -0.316 62.446 63.100 -0.562 0.000 0.790 200 P CB 0.390 31.425 31.700 -1.108 0.000 0.951 201 T N -0.824 113.566 114.554 -0.273 0.000 2.882 201 T HA 0.158 4.507 4.350 -0.001 0.000 0.287 201 T C 1.359 176.079 174.700 0.033 0.000 1.014 201 T CA -0.779 61.277 62.100 -0.074 0.000 1.049 201 T CB 0.317 69.122 68.868 -0.104 0.000 1.001 201 T HN 0.247 nan 8.240 nan 0.000 0.525 202 L N 0.255 121.594 121.223 0.193 0.000 2.137 202 L HA -0.198 4.141 4.340 -0.001 0.000 0.213 202 L C 2.615 179.602 176.870 0.196 0.000 1.085 202 L CA 1.901 56.914 54.840 0.289 0.000 0.760 202 L CB -0.394 41.774 42.059 0.181 0.000 0.893 202 L HN 0.851 nan 8.230 nan 0.000 0.434 203 E N -1.038 119.200 120.200 0.064 0.000 2.158 203 E HA -0.212 4.137 4.350 -0.001 0.000 0.191 203 E C 2.150 178.727 176.600 -0.040 0.000 0.982 203 E CA 0.731 57.139 56.400 0.013 0.000 0.823 203 E CB 0.095 29.775 29.700 -0.033 0.000 0.766 203 E HN 0.579 nan 8.360 nan 0.000 0.468 204 Q N -0.577 119.115 119.800 -0.180 0.000 2.119 204 Q HA -0.153 4.186 4.340 -0.001 0.000 0.201 204 Q C 1.671 177.678 176.000 0.012 0.000 0.972 204 Q CA 1.202 56.781 55.803 -0.373 0.000 0.847 204 Q CB -0.104 28.169 28.738 -0.775 0.000 0.903 204 Q HN 0.397 nan 8.270 nan 0.000 0.433 205 W N 1.245 122.592 121.300 0.079 0.000 2.354 205 W HA -0.220 4.439 4.660 -0.001 0.000 0.315 205 W C 2.397 179.001 176.519 0.142 0.000 1.206 205 W CA 0.802 58.261 57.345 0.190 0.000 1.290 205 W CB -0.097 29.481 29.460 0.197 0.000 1.152 205 W HN 0.200 nan 8.180 nan 0.000 0.489 206 Q N -0.622 119.367 119.800 0.314 0.000 2.152 206 Q HA -0.207 4.132 4.340 -0.001 0.000 0.206 206 Q C 2.008 178.051 176.000 0.073 0.000 0.985 206 Q CA 2.343 58.228 55.803 0.136 0.000 0.863 206 Q CB -0.460 28.332 28.738 0.091 0.000 0.904 206 Q HN 0.220 nan 8.270 nan 0.000 0.422 207 T N 0.594 115.225 114.554 0.128 0.000 2.770 207 T HA -0.064 4.285 4.350 -0.001 0.000 0.263 207 T C 1.757 176.542 174.700 0.141 0.000 1.039 207 T CA 0.696 62.878 62.100 0.138 0.000 1.142 207 T CB -0.163 68.854 68.868 0.248 0.000 0.868 207 T HN 0.181 nan 8.240 nan 0.000 0.435 208 L N 0.770 122.148 121.223 0.260 0.000 2.012 208 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 208 L C 2.976 179.861 176.870 0.026 0.000 1.073 208 L CA 1.408 56.421 54.840 0.288 0.000 0.748 208 L CB -0.590 41.742 42.059 0.455 0.000 0.891 208 L HN 0.257 nan 8.230 nan 0.000 0.431 209 A N -0.762 121.845 122.820 -0.356 0.000 1.933 209 A HA -0.243 4.076 4.320 -0.001 0.000 0.218 209 A C 2.177 179.555 177.584 -0.344 0.000 1.175 209 A CA 1.517 53.023 52.037 -0.886 0.000 0.628 209 A CB -0.406 18.050 19.000 -0.906 0.000 0.814 209 A HN 0.527 nan 8.150 nan 0.000 0.444 210 Q N -0.660 119.020 119.800 -0.199 0.000 2.079 210 Q HA -0.063 4.276 4.340 -0.001 0.000 0.200 210 Q C 2.163 178.043 176.000 -0.200 0.000 0.974 210 Q CA 1.114 56.815 55.803 -0.169 0.000 0.840 210 Q CB -0.329 28.349 28.738 -0.100 0.000 0.898 210 Q HN 0.660 nan 8.270 nan 0.000 0.430 211 L N 1.161 122.273 121.223 -0.186 0.000 1.994 211 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 211 L C 2.654 179.177 176.870 -0.579 0.000 1.071 211 L CA 2.003 56.666 54.840 -0.294 0.000 0.745 211 L CB -0.549 41.404 42.059 -0.176 0.000 0.892 211 L HN 0.336 nan 8.230 nan 0.000 0.431 212 S N -1.267 114.154 115.700 -0.464 0.000 2.382 212 S HA -0.153 4.317 4.470 -0.001 0.000 0.228 212 S C 1.861 176.259 174.600 -0.336 0.000 1.027 212 S CA 1.333 59.212 58.200 -0.534 0.000 0.991 212 S CB -0.851 62.583 63.200 0.390 0.000 0.823 212 S HN 0.258 nan 8.310 nan 0.000 0.469 213 V N 2.341 122.102 119.914 -0.255 0.000 2.358 213 V HA -0.133 3.987 4.120 -0.001 0.000 0.246 213 V C 2.936 178.871 176.094 -0.265 0.000 1.047 213 V CA 2.140 64.261 62.300 -0.298 0.000 1.035 213 V CB -0.758 30.837 31.823 -0.381 0.000 0.658 213 V HN 0.621 nan 8.190 nan 0.000 0.452 214 E N 0.206 120.229 120.200 -0.294 0.000 2.072 214 E HA -0.260 4.089 4.350 -0.001 0.000 0.191 214 E C 2.079 178.507 176.600 -0.286 0.000 0.985 214 E CA 1.326 57.577 56.400 -0.249 0.000 0.801 214 E CB 0.073 29.639 29.700 -0.223 0.000 0.750 214 E HN 0.372 nan 8.360 nan 0.000 0.452 215 K N -0.840 119.265 120.400 -0.492 0.000 2.365 215 K HA 0.064 4.383 4.320 -0.001 0.000 0.197 215 K C 0.819 177.191 176.600 -0.380 0.000 1.042 215 K CA 0.811 56.779 56.287 -0.532 0.000 0.987 215 K CB 0.350 32.303 32.500 -0.911 0.000 0.779 215 K HN 0.310 nan 8.250 nan 0.000 0.484 216 G N -0.016 108.592 108.800 -0.320 0.000 2.142 216 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.225 216 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.225 216 G C -0.604 174.409 174.900 0.189 0.000 1.015 216 G CA -0.281 44.796 45.100 -0.038 0.000 0.716 216 G HN 0.028 nan 8.290 nan 0.000 0.508 217 W N -0.454 120.924 121.300 0.129 0.000 2.375 217 W HA 0.725 5.385 4.660 -0.001 0.000 0.336 217 W C 0.430 177.075 176.519 0.210 0.000 1.160 217 W CA -1.747 55.683 57.345 0.141 0.000 1.266 217 W CB 0.662 30.204 29.460 0.136 0.000 1.195 217 W HN 0.063 nan 8.180 nan 0.000 0.599 218 L N 5.645 127.119 121.223 0.418 0.000 2.262 218 L HA 0.351 4.691 4.340 -0.001 0.000 0.288 218 L C -2.196 174.854 176.870 0.299 0.000 1.035 218 L CA -1.773 53.261 54.840 0.323 0.000 0.820 218 L CB 1.377 43.579 42.059 0.239 0.000 1.204 218 L HN -0.023 nan 8.230 nan 0.000 0.424 219 P HA 0.273 nan 4.420 nan 0.000 0.284 219 P C -1.121 176.332 177.300 0.255 0.000 1.253 219 P CA -0.331 62.958 63.100 0.315 0.000 0.800 219 P CB 1.496 33.448 31.700 0.419 0.000 0.961 220 L N 3.637 124.946 121.223 0.142 0.000 2.372 220 L HA 0.482 4.821 4.340 -0.001 0.000 0.273 220 L C -1.207 175.704 176.870 0.067 0.000 0.989 220 L CA -0.806 54.124 54.840 0.150 0.000 0.841 220 L CB 0.484 42.590 42.059 0.078 0.000 1.225 220 L HN 0.146 nan 8.230 nan 0.000 0.414 221 F N 2.868 122.852 119.950 0.056 0.000 2.411 221 F HA 0.273 4.799 4.527 -0.002 0.000 0.350 221 F C 0.468 176.291 175.800 0.038 0.000 1.114 221 F CA -0.324 57.682 58.000 0.012 0.000 1.135 221 F CB 1.048 39.985 39.000 -0.105 0.000 1.120 221 F HN 0.382 nan 8.300 nan 0.000 0.495 222 D N 4.060 124.512 120.400 0.087 0.000 2.373 222 D HA 0.135 4.774 4.640 -0.001 0.000 0.227 222 D C -1.392 175.008 176.300 0.166 0.000 1.091 222 D CA -0.179 53.866 54.000 0.074 0.000 0.840 222 D CB 0.292 41.058 40.800 -0.057 0.000 1.060 222 D HN 0.173 nan 8.370 nan 0.000 0.502 223 F N 3.673 123.637 119.950 0.025 0.000 2.453 223 F HA 0.492 5.018 4.527 -0.001 0.000 0.358 223 F C 0.464 176.220 175.800 -0.075 0.000 1.129 223 F CA -1.383 56.633 58.000 0.026 0.000 1.200 223 F CB 0.766 39.768 39.000 0.002 0.000 1.431 223 F HN 0.482 nan 8.300 nan 0.000 0.503 224 A N 3.262 126.177 122.820 0.157 0.000 2.220 224 A HA 0.109 4.429 4.320 -0.001 0.000 0.211 224 A C 0.061 177.398 177.584 -0.412 0.000 1.176 224 A CA 0.465 52.362 52.037 -0.233 0.000 0.834 224 A CB -0.253 18.470 19.000 -0.461 0.000 0.868 224 A HN 0.518 nan 8.150 nan 0.000 0.488 225 Y N 0.168 120.588 120.300 0.200 0.000 2.699 225 Y HA 0.307 4.856 4.550 -0.001 0.000 0.282 225 Y C 0.551 176.663 175.900 0.354 0.000 1.058 225 Y CA -0.688 57.595 58.100 0.305 0.000 1.194 225 Y CB 0.005 38.603 38.460 0.230 0.000 1.193 225 Y HN 0.369 nan 8.280 nan 0.000 0.562 226 Q N 0.924 120.785 119.800 0.102 0.000 2.255 226 Q HA 0.342 4.681 4.340 -0.001 0.000 0.280 226 Q C 1.112 177.115 176.000 0.005 0.000 1.068 226 Q CA 1.385 57.142 55.803 -0.077 0.000 0.911 226 Q CB 0.197 28.549 28.738 -0.643 0.000 1.157 226 Q HN 0.801 nan 8.270 nan 0.000 0.380 227 G N 3.341 112.153 108.800 0.020 0.000 2.184 227 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.206 227 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.206 227 G C 0.078 174.823 174.900 -0.257 0.000 0.995 227 G CA 0.020 45.013 45.100 -0.178 0.000 0.651 227 G HN 0.656 nan 8.290 nan 0.000 0.511 228 F N 1.008 121.005 119.950 0.080 0.000 2.721 228 F HA 0.612 5.138 4.527 -0.002 0.000 0.301 228 F C 2.295 178.143 175.800 0.080 0.000 1.096 228 F CA 1.027 59.075 58.000 0.079 0.000 1.308 228 F CB 0.391 39.476 39.000 0.142 0.000 1.086 228 F HN 0.342 nan 8.300 nan 0.000 0.587 229 A N 0.460 123.431 122.820 0.251 0.000 2.054 229 A HA 0.204 4.523 4.320 -0.001 0.000 0.221 229 A C 2.106 179.767 177.584 0.129 0.000 1.587 229 A CA 0.548 52.705 52.037 0.198 0.000 0.664 229 A CB -0.051 19.087 19.000 0.230 0.000 1.248 229 A HN 0.169 nan 8.150 nan 0.000 0.527 230 R N -1.828 118.738 120.500 0.109 0.000 2.125 230 R HA 0.411 4.750 4.340 -0.001 0.000 0.195 230 R C 0.728 177.035 176.300 0.012 0.000 1.138 230 R CA 0.679 56.817 56.100 0.063 0.000 1.123 230 R CB 0.633 30.979 30.300 0.077 0.000 1.049 230 R HN 0.593 nan 8.270 nan 0.000 0.503 234 E N 1.384 121.584 120.200 0.000 0.000 2.072 234 E HA -0.182 4.167 4.350 -0.001 0.000 0.191 234 E C 1.621 178.248 176.600 0.045 0.000 0.985 234 E CA 1.636 58.048 56.400 0.020 0.000 0.801 234 E CB 0.081 29.787 29.700 0.009 0.000 0.750 234 E HN 0.460 nan 8.360 nan 0.000 0.452 235 E N 1.112 121.341 120.200 0.047 0.000 2.085 235 E HA -0.161 4.188 4.350 -0.001 0.000 0.194 235 E C 1.635 178.301 176.600 0.111 0.000 0.994 235 E CA 1.272 57.714 56.400 0.070 0.000 0.801 235 E CB -0.107 29.631 29.700 0.063 0.000 0.743 235 E HN 0.170 nan 8.360 nan 0.000 0.453 236 D N -0.272 120.216 120.400 0.146 0.000 2.310 236 D HA -0.051 4.589 4.640 -0.001 0.000 0.212 236 D C 1.272 177.744 176.300 0.287 0.000 0.965 236 D CA 1.068 55.218 54.000 0.249 0.000 0.879 236 D CB -0.050 40.945 40.800 0.325 0.000 0.921 236 D HN 0.217 nan 8.370 nan 0.000 0.510 237 A N 0.257 123.202 122.820 0.208 0.000 2.275 237 A HA 0.031 4.350 4.320 -0.001 0.000 0.212 237 A C 1.789 179.334 177.584 -0.065 0.000 1.201 237 A CA 0.046 52.164 52.037 0.134 0.000 0.843 237 A CB -0.115 18.974 19.000 0.148 0.000 0.873 237 A HN 0.077 nan 8.150 nan 0.000 0.492 238 E N 0.086 120.259 120.200 -0.045 0.000 2.097 238 E HA -0.186 4.163 4.350 -0.001 0.000 0.196 238 E C 2.070 178.533 176.600 -0.228 0.000 1.000 238 E CA 1.181 57.540 56.400 -0.069 0.000 0.804 238 E CB -0.296 29.418 29.700 0.024 0.000 0.740 238 E HN 0.596 nan 8.360 nan 0.000 0.454 239 G N 1.469 109.930 108.800 -0.565 0.000 2.418 239 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.217 239 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.217 239 G C 1.514 175.962 174.900 -0.754 0.000 1.158 239 G CA 0.348 44.740 45.100 -1.179 0.000 0.771 239 G HN 0.140 nan 8.290 nan 0.000 0.545 240 L N -0.170 120.524 121.223 -0.881 0.000 1.994 240 L HA -0.045 4.294 4.340 -0.001 0.000 0.208 240 L C 3.081 179.726 176.870 -0.374 0.000 1.071 240 L CA 1.645 55.862 54.840 -1.038 0.000 0.745 240 L CB -0.302 41.226 42.059 -0.886 0.000 0.892 240 L HN 0.162 nan 8.230 nan 0.000 0.431 241 R N -0.353 120.032 120.500 -0.192 0.000 2.139 241 R HA -0.179 4.161 4.340 -0.001 0.000 0.243 241 R C 2.261 178.570 176.300 0.016 0.000 1.145 241 R CA 1.585 57.681 56.100 -0.007 0.000 0.976 241 R CB -0.427 29.880 30.300 0.012 0.000 0.866 241 R HN 0.560 nan 8.270 nan 0.000 0.449 242 A N -0.619 122.205 122.820 0.006 0.000 1.929 242 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 242 A C 1.837 179.487 177.584 0.110 0.000 1.176 242 A CA 1.001 53.077 52.037 0.065 0.000 0.628 242 A CB -0.477 18.584 19.000 0.103 0.000 0.816 242 A HN 0.257 nan 8.150 nan 0.000 0.444 243 F N 0.167 120.101 119.950 -0.027 0.000 2.163 243 F HA -0.002 4.524 4.527 -0.001 0.000 0.297 243 F C 2.715 178.603 175.800 0.147 0.000 1.094 243 F CA 0.941 59.003 58.000 0.103 0.000 1.290 243 F CB -0.354 38.634 39.000 -0.021 0.000 1.017 243 F HN 0.245 nan 8.300 nan 0.000 0.483 244 A N -0.413 122.523 122.820 0.192 0.000 2.070 244 A HA 0.001 4.320 4.320 -0.001 0.000 0.220 244 A C 2.274 179.886 177.584 0.045 0.000 1.159 244 A CA 1.469 53.559 52.037 0.088 0.000 0.656 244 A CB -1.072 17.936 19.000 0.012 0.000 0.800 244 A HN 0.291 nan 8.150 nan 0.000 0.453 245 A N -0.989 121.863 122.820 0.054 0.000 2.072 245 A HA 0.154 4.473 4.320 -0.001 0.000 0.216 245 A C 2.022 179.601 177.584 -0.008 0.000 1.156 245 A CA 1.302 53.345 52.037 0.010 0.000 0.701 245 A CB -0.257 18.746 19.000 0.005 0.000 0.816 245 A HN 0.496 nan 8.150 nan 0.000 0.458 246 M N -1.476 118.128 119.600 0.007 0.000 2.421 246 M HA 0.198 4.677 4.480 -0.001 0.000 0.258 246 M C -0.122 176.047 176.300 -0.218 0.000 1.122 246 M CA 0.141 55.373 55.300 -0.112 0.000 1.078 246 M CB -0.097 32.383 32.600 -0.200 0.000 1.380 246 M HN 0.320 nan 8.290 nan 0.000 0.499 247 H N 0.542 119.614 119.070 0.003 0.000 2.481 247 H HA 0.201 4.756 4.556 -0.001 0.000 0.339 247 H C 0.788 176.132 175.328 0.028 0.000 1.131 247 H CA 0.313 56.390 56.048 0.049 0.000 1.301 247 H CB 1.896 31.748 29.762 0.149 0.000 1.476 247 H HN -0.095 nan 8.280 nan 0.000 0.529 248 K N 0.583 121.065 120.400 0.137 0.000 2.214 248 K HA 0.119 4.438 4.320 -0.001 0.000 0.201 248 K C -0.429 176.244 176.600 0.122 0.000 1.049 248 K CA 0.677 57.014 56.287 0.084 0.000 0.978 248 K CB 0.677 33.209 32.500 0.053 0.000 0.842 248 K HN 0.638 nan 8.250 nan 0.000 0.474 249 E N 0.065 120.385 120.200 0.200 0.000 2.266 249 E HA 0.475 4.824 4.350 -0.001 0.000 0.268 249 E C -1.505 175.243 176.600 0.247 0.000 0.879 249 E CA -0.829 55.692 56.400 0.202 0.000 0.762 249 E CB 2.188 32.009 29.700 0.200 0.000 1.199 249 E HN -0.121 nan 8.360 nan 0.000 0.422 250 L N 1.748 123.098 121.223 0.212 0.000 2.775 250 L HA 0.543 4.882 4.340 -0.001 0.000 0.263 250 L C -1.737 175.271 176.870 0.229 0.000 1.017 250 L CA -0.392 54.584 54.840 0.227 0.000 0.891 250 L CB 2.123 44.305 42.059 0.204 0.000 1.482 250 L HN 0.565 nan 8.230 nan 0.000 0.410 251 I N 1.072 121.795 120.570 0.256 0.000 2.686 251 I HA 0.669 4.838 4.170 -0.001 0.000 0.295 251 I C -1.313 174.960 176.117 0.259 0.000 1.114 251 I CA -0.955 60.489 61.300 0.239 0.000 1.038 251 I CB 2.292 40.440 38.000 0.247 0.000 1.238 251 I HN 0.104 nan 8.210 nan 0.000 0.420 252 V N 4.077 124.122 119.914 0.219 0.000 2.525 252 V HA 0.642 4.761 4.120 -0.001 0.000 0.299 252 V C -0.140 176.052 176.094 0.163 0.000 1.034 252 V CA -0.582 61.844 62.300 0.209 0.000 0.863 252 V CB 1.713 33.621 31.823 0.142 0.000 0.999 252 V HN 0.819 nan 8.190 nan 0.000 0.423 253 A N 3.839 126.762 122.820 0.172 0.000 2.258 253 A HA 0.876 5.195 4.320 -0.001 0.000 0.316 253 A C 0.148 177.784 177.584 0.086 0.000 1.279 253 A CA -0.283 51.829 52.037 0.125 0.000 0.876 253 A CB 0.886 19.970 19.000 0.139 0.000 1.170 253 A HN 1.089 nan 8.150 nan 0.000 0.520 254 S N 1.349 117.050 115.700 0.002 0.000 2.599 254 S HA 0.858 5.327 4.470 -0.001 0.000 0.294 254 S C -0.314 174.152 174.600 -0.222 0.000 1.094 254 S CA -0.457 57.674 58.200 -0.115 0.000 0.931 254 S CB 1.793 64.847 63.200 -0.242 0.000 1.093 254 S HN 1.260 nan 8.310 nan 0.000 0.488 255 S N -0.087 115.417 115.700 -0.327 0.000 2.568 255 S HA 0.661 5.130 4.470 -0.001 0.000 0.293 255 S C -1.460 172.886 174.600 -0.423 0.000 1.089 255 S CA -0.567 57.455 58.200 -0.296 0.000 0.945 255 S CB 0.921 63.997 63.200 -0.207 0.000 1.077 255 S HN 0.713 nan 8.310 nan 0.000 0.485 256 Y N 1.700 121.963 120.300 -0.062 0.000 2.660 256 Y HA 0.307 4.856 4.550 -0.001 0.000 0.254 256 Y C 2.047 177.922 175.900 -0.042 0.000 1.176 256 Y CA -0.263 57.827 58.100 -0.018 0.000 1.195 256 Y CB 0.215 38.590 38.460 -0.141 0.000 1.190 256 Y HN 0.588 nan 8.280 nan 0.000 0.535 257 S N 0.113 115.803 115.700 -0.017 0.000 2.356 257 S HA -0.174 4.295 4.470 -0.001 0.000 0.223 257 S C 1.821 176.189 174.600 -0.387 0.000 1.032 257 S CA 1.605 59.714 58.200 -0.152 0.000 1.005 257 S CB 0.026 63.198 63.200 -0.047 0.000 0.867 257 S HN 0.350 nan 8.310 nan 0.000 0.449 258 K N 1.929 122.221 120.400 -0.180 0.000 2.044 258 K HA 0.067 4.387 4.320 -0.001 0.000 0.204 258 K C 1.788 178.536 176.600 0.247 0.000 1.045 258 K CA 1.104 57.354 56.287 -0.062 0.000 0.951 258 K CB -0.266 32.117 32.500 -0.194 0.000 0.738 258 K HN 0.381 nan 8.250 nan 0.000 0.443 259 N N -0.035 118.876 118.700 0.352 0.000 2.520 259 N HA -0.126 4.613 4.740 -0.001 0.000 0.185 259 N C 0.646 176.291 175.510 0.226 0.000 1.068 259 N CA 1.180 54.402 53.050 0.287 0.000 0.911 259 N CB -0.166 38.442 38.487 0.201 0.000 0.961 259 N HN 0.139 nan 8.380 nan 0.000 0.446 260 F N -1.024 119.000 119.950 0.123 0.000 2.746 260 F HA 0.422 4.948 4.527 -0.001 0.000 0.320 260 F C 1.514 177.265 175.800 -0.082 0.000 1.097 260 F CA -0.076 57.953 58.000 0.050 0.000 1.195 260 F CB 0.492 39.426 39.000 -0.110 0.000 1.056 260 F HN 0.129 nan 8.300 nan 0.000 0.562 261 G N 1.618 110.359 108.800 -0.097 0.000 2.283 261 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.280 261 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.280 261 G C 0.456 175.162 174.900 -0.322 0.000 1.029 261 G CA 0.325 45.187 45.100 -0.397 0.000 0.840 261 G HN 0.408 nan 8.290 nan 0.000 0.505 262 L N -0.141 120.919 121.223 -0.271 0.000 3.034 262 L HA 0.281 4.620 4.340 -0.001 0.000 0.245 262 L C 2.039 178.869 176.870 -0.067 0.000 1.295 262 L CA -0.833 53.951 54.840 -0.093 0.000 1.068 262 L CB -0.363 41.662 42.059 -0.057 0.000 1.426 262 L HN 0.343 nan 8.230 nan 0.000 0.531 263 Y N 0.479 120.815 120.300 0.061 0.000 2.030 263 Y HA -0.409 4.140 4.550 -0.002 0.000 0.272 263 Y C 2.326 178.238 175.900 0.020 0.000 1.185 263 Y CA 2.308 60.429 58.100 0.036 0.000 1.120 263 Y CB -0.815 37.662 38.460 0.028 0.000 0.955 263 Y HN 0.554 nan 8.280 nan 0.000 0.495 264 N N -0.399 118.417 118.700 0.195 0.000 2.461 264 N HA -0.080 4.659 4.740 -0.001 0.000 0.188 264 N C 0.776 176.317 175.510 0.051 0.000 1.134 264 N CA 0.495 53.606 53.050 0.101 0.000 0.878 264 N CB -0.045 38.489 38.487 0.079 0.000 0.972 264 N HN 0.405 nan 8.380 nan 0.000 0.456 265 E N 0.897 121.123 120.200 0.044 0.000 2.474 265 E HA 0.022 4.371 4.350 -0.001 0.000 0.194 265 E C -0.218 176.370 176.600 -0.021 0.000 1.041 265 E CA -0.064 56.346 56.400 0.018 0.000 0.874 265 E CB 0.210 29.935 29.700 0.042 0.000 0.914 265 E HN 0.259 nan 8.360 nan 0.000 0.498 266 R N 0.002 120.494 120.500 -0.013 0.000 2.994 266 R HA -0.117 4.222 4.340 -0.001 0.000 0.267 266 R C -0.797 175.465 176.300 -0.063 0.000 0.914 266 R CA 0.210 56.288 56.100 -0.037 0.000 0.668 266 R CB -3.065 27.193 30.300 -0.070 0.000 1.524 266 R HN -0.061 nan 8.270 nan 0.000 0.478 267 V N 0.591 120.490 119.914 -0.025 0.000 2.378 267 V HA 0.891 5.010 4.120 -0.001 0.000 0.288 267 V C 1.090 177.278 176.094 0.157 0.000 1.016 267 V CA 0.051 62.357 62.300 0.010 0.000 0.840 267 V CB 2.072 33.887 31.823 -0.013 0.000 0.994 267 V HN 0.751 nan 8.190 nan 0.000 0.431 268 G N 2.852 111.758 108.800 0.176 0.000 2.645 268 G HA2 0.901 4.860 3.960 -0.001 0.000 0.292 268 G HA3 0.901 4.860 3.960 -0.001 0.000 0.292 268 G C -1.455 173.613 174.900 0.281 0.000 1.415 268 G CA -0.125 45.079 45.100 0.173 0.000 0.785 268 G HN 1.101 nan 8.290 nan 0.000 0.483 269 A N -1.611 121.316 122.820 0.179 0.000 2.572 269 A HA 0.680 4.999 4.320 -0.001 0.000 0.295 269 A C -1.203 176.461 177.584 0.132 0.000 1.072 269 A CA -0.410 51.760 52.037 0.221 0.000 0.691 269 A CB 1.575 20.706 19.000 0.218 0.000 1.291 269 A HN 1.782 nan 8.150 nan 0.000 0.404 270 C N 1.791 121.188 119.300 0.162 0.000 2.321 270 C HA 0.756 5.215 4.460 -0.001 0.000 0.323 270 C C -0.060 175.015 174.990 0.141 0.000 1.191 270 C CA -0.018 59.089 59.018 0.148 0.000 1.455 270 C CB -0.489 27.346 27.740 0.159 0.000 2.083 270 C HN 0.800 nan 8.230 nan 0.000 0.442 271 T N 6.784 121.406 114.554 0.113 0.000 2.767 271 T HA 0.391 4.740 4.350 -0.001 0.000 0.284 271 T C -0.438 174.327 174.700 0.107 0.000 0.973 271 T CA -0.221 61.936 62.100 0.096 0.000 0.996 271 T CB 0.972 69.909 68.868 0.114 0.000 0.927 271 T HN 0.609 nan 8.240 nan 0.000 0.456 272 L N 4.483 125.725 121.223 0.032 0.000 2.282 272 L HA 0.623 4.962 4.340 -0.001 0.000 0.288 272 L C -0.849 176.038 176.870 0.028 0.000 1.033 272 L CA -0.677 54.183 54.840 0.033 0.000 0.807 272 L CB 1.331 43.375 42.059 -0.025 0.000 1.209 272 L HN 0.399 nan 8.230 nan 0.000 0.423 273 V N 3.742 123.702 119.914 0.077 0.000 2.555 273 V HA 0.809 4.928 4.120 -0.001 0.000 0.302 273 V C -0.002 176.130 176.094 0.063 0.000 1.038 273 V CA -0.526 61.793 62.300 0.031 0.000 0.887 273 V CB 1.649 33.471 31.823 -0.002 0.000 0.991 273 V HN 0.899 nan 8.190 nan 0.000 0.434 274 A N 2.709 125.547 122.820 0.030 0.000 2.527 274 A HA 0.870 5.189 4.320 -0.001 0.000 0.293 274 A C 0.933 178.534 177.584 0.029 0.000 1.117 274 A CA 0.034 52.106 52.037 0.057 0.000 0.723 274 A CB 1.518 20.561 19.000 0.072 0.000 1.313 274 A HN 1.254 nan 8.150 nan 0.000 0.411 275 A N 0.159 123.003 122.820 0.040 0.000 1.948 275 A HA 0.136 4.455 4.320 -0.001 0.000 0.220 275 A C 0.636 178.223 177.584 0.004 0.000 1.177 275 A CA 2.545 54.594 52.037 0.020 0.000 0.636 275 A CB -0.771 18.244 19.000 0.025 0.000 0.815 275 A HN 1.148 nan 8.150 nan 0.000 0.449 276 D N -4.931 115.475 120.400 0.011 0.000 2.596 276 D HA 0.418 5.058 4.640 -0.001 0.000 0.262 276 D C 0.473 176.777 176.300 0.005 0.000 1.210 276 D CA 0.070 54.072 54.000 0.002 0.000 0.873 276 D CB 0.579 41.384 40.800 0.007 0.000 1.408 276 D HN -0.188 nan 8.370 nan 0.000 0.441 277 S N -0.837 114.863 115.700 -0.001 0.000 2.359 277 S HA -0.248 4.221 4.470 -0.001 0.000 0.224 277 S C 1.478 176.089 174.600 0.019 0.000 1.035 277 S CA 1.921 60.121 58.200 0.001 0.000 1.018 277 S CB -0.417 62.782 63.200 -0.002 0.000 0.876 277 S HN 0.622 nan 8.310 nan 0.000 0.448 278 E N -0.425 119.790 120.200 0.024 0.000 2.077 278 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 278 E C 1.799 178.430 176.600 0.052 0.000 0.989 278 E CA 1.636 58.057 56.400 0.036 0.000 0.800 278 E CB -0.256 29.463 29.700 0.032 0.000 0.746 278 E HN 0.472 nan 8.360 nan 0.000 0.452 279 T N 0.385 114.970 114.554 0.051 0.000 2.812 279 T HA -0.100 4.249 4.350 -0.001 0.000 0.264 279 T C 1.840 176.594 174.700 0.091 0.000 1.042 279 T CA 1.042 63.184 62.100 0.071 0.000 1.140 279 T CB -0.204 68.703 68.868 0.065 0.000 0.870 279 T HN 0.078 nan 8.240 nan 0.000 0.445 280 V N 1.662 121.616 119.914 0.067 0.000 2.626 280 V HA -0.152 3.967 4.120 -0.001 0.000 0.252 280 V C 1.965 178.118 176.094 0.097 0.000 1.067 280 V CA 1.828 64.166 62.300 0.063 0.000 1.081 280 V CB -0.454 31.366 31.823 -0.004 0.000 0.686 280 V HN 0.361 nan 8.190 nan 0.000 0.468 281 D N -0.360 120.095 120.400 0.092 0.000 2.091 281 D HA -0.114 4.525 4.640 -0.001 0.000 0.199 281 D C 2.366 178.765 176.300 0.164 0.000 0.980 281 D CA 1.230 55.309 54.000 0.131 0.000 0.831 281 D CB -0.203 40.650 40.800 0.089 0.000 0.987 281 D HN 0.322 nan 8.370 nan 0.000 0.460 282 R N 0.418 120.995 120.500 0.129 0.000 2.080 282 R HA -0.096 4.243 4.340 -0.001 0.000 0.236 282 R C 2.229 178.632 176.300 0.171 0.000 1.137 282 R CA 1.556 57.731 56.100 0.126 0.000 0.943 282 R CB -0.323 30.041 30.300 0.106 0.000 0.846 282 R HN 0.115 nan 8.270 nan 0.000 0.431 283 A N 0.055 123.001 122.820 0.210 0.000 1.908 283 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 283 A C 1.988 179.754 177.584 0.304 0.000 1.181 283 A CA 1.373 53.597 52.037 0.311 0.000 0.627 283 A CB -0.727 18.481 19.000 0.346 0.000 0.818 283 A HN 0.440 nan 8.150 nan 0.000 0.445 284 F N 1.699 121.668 119.950 0.031 0.000 2.365 284 F HA -0.111 4.415 4.527 -0.001 0.000 0.300 284 F C 2.670 178.467 175.800 -0.005 0.000 1.090 284 F CA 1.273 59.242 58.000 -0.052 0.000 1.408 284 F CB -0.281 38.697 39.000 -0.036 0.000 1.060 284 F HN 0.340 nan 8.300 nan 0.000 0.534 285 S N -0.584 115.154 115.700 0.064 0.000 2.382 285 S HA -0.213 4.256 4.470 -0.001 0.000 0.228 285 S C 1.839 176.407 174.600 -0.053 0.000 1.027 285 S CA 1.028 59.205 58.200 -0.038 0.000 0.991 285 S CB -0.572 62.649 63.200 0.034 0.000 0.823 285 S HN 0.477 nan 8.310 nan 0.000 0.469 286 Q N 0.193 120.035 119.800 0.069 0.000 2.297 286 Q HA 0.147 4.486 4.340 -0.001 0.000 0.204 286 Q C 2.018 178.114 176.000 0.161 0.000 0.962 286 Q CA 0.908 56.800 55.803 0.149 0.000 0.879 286 Q CB -0.313 28.588 28.738 0.273 0.000 0.947 286 Q HN 0.721 nan 8.270 nan 0.000 0.462 287 M N 0.015 119.600 119.600 -0.025 0.000 2.288 287 M HA -0.095 4.385 4.480 -0.001 0.000 0.266 287 M C 1.626 177.767 176.300 -0.266 0.000 1.072 287 M CA 1.172 56.361 55.300 -0.186 0.000 1.132 287 M CB 0.231 32.539 32.600 -0.487 0.000 1.386 287 M HN -0.075 nan 8.290 nan 0.000 0.432 288 K N 0.157 120.310 120.400 -0.411 0.000 2.103 288 K HA -0.003 4.316 4.320 -0.001 0.000 0.204 288 K C 1.912 178.384 176.600 -0.214 0.000 1.052 288 K CA 1.305 57.363 56.287 -0.380 0.000 0.945 288 K CB -0.165 32.083 32.500 -0.420 0.000 0.722 288 K HN 0.399 nan 8.250 nan 0.000 0.443 289 A N 1.139 123.877 122.820 -0.137 0.000 1.933 289 A HA -0.143 4.176 4.320 -0.001 0.000 0.218 289 A C 2.294 179.830 177.584 -0.080 0.000 1.175 289 A CA 1.912 53.897 52.037 -0.087 0.000 0.628 289 A CB -0.726 18.252 19.000 -0.036 0.000 0.814 289 A HN 0.346 nan 8.150 nan 0.000 0.444 290 A N -0.394 122.398 122.820 -0.046 0.000 2.015 290 A HA -0.012 4.307 4.320 -0.001 0.000 0.219 290 A C 2.062 179.581 177.584 -0.108 0.000 1.163 290 A CA 1.412 53.434 52.037 -0.025 0.000 0.646 290 A CB -0.514 18.530 19.000 0.074 0.000 0.806 290 A HN 0.512 nan 8.150 nan 0.000 0.448 291 I N -1.576 118.880 120.570 -0.189 0.000 2.333 291 I HA -0.152 4.017 4.170 -0.001 0.000 0.246 291 I C 2.712 178.558 176.117 -0.451 0.000 1.106 291 I CA 0.635 61.705 61.300 -0.384 0.000 1.411 291 I CB -0.281 37.504 38.000 -0.358 0.000 1.082 291 I HN 0.201 nan 8.210 nan 0.000 0.420 292 R N 1.351 121.680 120.500 -0.286 0.000 2.096 292 R HA -0.143 4.196 4.340 -0.001 0.000 0.240 292 R C 2.011 178.198 176.300 -0.189 0.000 1.139 292 R CA 1.895 57.859 56.100 -0.228 0.000 0.952 292 R CB -0.603 29.602 30.300 -0.158 0.000 0.854 292 R HN 0.363 nan 8.270 nan 0.000 0.436 293 A N 0.593 123.326 122.820 -0.146 0.000 2.252 293 A HA -0.056 4.263 4.320 -0.001 0.000 0.207 293 A C 1.358 178.886 177.584 -0.094 0.000 1.194 293 A CA 0.587 52.566 52.037 -0.096 0.000 0.809 293 A CB -0.324 18.641 19.000 -0.059 0.000 0.814 293 A HN 0.301 nan 8.150 nan 0.000 0.482 294 N N -0.797 117.801 118.700 -0.171 0.000 2.690 294 N HA 0.081 4.820 4.740 -0.001 0.000 0.187 294 N C 0.999 176.446 175.510 -0.103 0.000 1.295 294 N CA 1.117 54.092 53.050 -0.125 0.000 1.100 294 N CB -0.184 38.220 38.487 -0.139 0.000 1.336 294 N HN 0.334 nan 8.380 nan 0.000 0.458 295 Y N -1.112 119.182 120.300 -0.010 0.000 2.458 295 Y HA 0.589 5.138 4.550 -0.002 0.000 0.256 295 Y C 1.366 177.257 175.900 -0.014 0.000 1.159 295 Y CA 0.286 58.382 58.100 -0.007 0.000 1.261 295 Y CB 0.013 38.472 38.460 -0.001 0.000 1.119 295 Y HN 0.196 nan 8.280 nan 0.000 0.524 296 S N 0.149 115.624 115.700 -0.375 0.000 1.764 296 S HA -0.251 4.218 4.470 -0.001 0.000 0.248 296 S C 0.389 174.887 174.600 -0.171 0.000 0.823 296 S CA 1.618 59.681 58.200 -0.229 0.000 1.642 296 S CB -1.829 61.300 63.200 -0.118 0.000 1.142 296 S HN 1.142 nan 8.310 nan 0.000 0.495 297 S N 2.339 118.067 115.700 0.046 0.000 2.556 297 S HA 0.799 5.268 4.470 -0.001 0.000 0.271 297 S C -3.416 171.378 174.600 0.322 0.000 1.135 297 S CA -1.010 57.277 58.200 0.145 0.000 0.858 297 S CB 2.649 65.900 63.200 0.085 0.000 1.114 297 S HN 0.462 nan 8.310 nan 0.000 0.468 298 P HA 0.514 nan 4.420 nan 0.000 0.282 298 P C -2.935 174.370 177.300 0.008 0.000 1.259 298 P CA -1.942 61.224 63.100 0.109 0.000 0.826 298 P CB -0.668 31.052 31.700 0.034 0.000 1.064 299 P HA 0.108 nan 4.420 nan 0.000 0.271 299 P C 0.398 177.643 177.300 -0.092 0.000 1.226 299 P CA 0.121 63.185 63.100 -0.061 0.000 0.765 299 P CB 0.317 31.967 31.700 -0.082 0.000 0.835 300 A N 3.295 126.080 122.820 -0.058 0.000 1.874 300 A HA -0.183 4.136 4.320 -0.001 0.000 0.214 300 A C 2.145 179.675 177.584 -0.090 0.000 1.189 300 A CA 1.069 53.055 52.037 -0.086 0.000 0.615 300 A CB -1.593 17.376 19.000 -0.051 0.000 0.830 300 A HN 0.699 nan 8.150 nan 0.000 0.443 301 H N -0.140 118.861 119.070 -0.116 0.000 2.268 301 H HA -0.241 4.314 4.556 -0.001 0.000 0.288 301 H C 2.336 177.582 175.328 -0.138 0.000 1.088 301 H CA 2.401 58.386 56.048 -0.106 0.000 1.182 301 H CB -0.605 29.108 29.762 -0.081 0.000 1.348 301 H HN 0.421 nan 8.280 nan 0.000 0.499 302 G N -0.017 108.714 108.800 -0.114 0.000 2.514 302 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.217 302 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.217 302 G C 1.936 176.630 174.900 -0.344 0.000 1.198 302 G CA 1.809 46.786 45.100 -0.205 0.000 0.780 302 G HN 0.621 nan 8.290 nan 0.000 0.565 303 A N 0.159 122.749 122.820 -0.384 0.000 1.972 303 A HA 0.030 4.349 4.320 -0.001 0.000 0.219 303 A C 2.694 180.068 177.584 -0.350 0.000 1.169 303 A CA 2.267 53.985 52.037 -0.532 0.000 0.635 303 A CB -0.580 17.866 19.000 -0.923 0.000 0.810 303 A HN 0.334 nan 8.150 nan 0.000 0.446 304 S N -0.671 114.848 115.700 -0.301 0.000 2.368 304 S HA -0.118 4.351 4.470 -0.001 0.000 0.225 304 S C 1.929 176.380 174.600 -0.249 0.000 1.030 304 S CA 1.311 59.379 58.200 -0.220 0.000 0.999 304 S CB -0.405 62.675 63.200 -0.200 0.000 0.844 304 S HN 0.357 nan 8.310 nan 0.000 0.459 305 V N 1.456 121.159 119.914 -0.353 0.000 2.255 305 V HA -0.188 3.931 4.120 -0.001 0.000 0.247 305 V C 2.322 178.188 176.094 -0.380 0.000 1.051 305 V CA 1.777 63.872 62.300 -0.342 0.000 1.018 305 V CB -0.764 30.836 31.823 -0.371 0.000 0.641 305 V HN 0.336 nan 8.190 nan 0.000 0.445 306 V N 0.203 119.782 119.914 -0.558 0.000 2.255 306 V HA -0.311 3.808 4.120 -0.001 0.000 0.247 306 V C 2.696 178.483 176.094 -0.510 0.000 1.051 306 V CA 2.274 64.060 62.300 -0.857 0.000 1.018 306 V CB -1.248 29.884 31.823 -1.153 0.000 0.641 306 V HN 0.589 nan 8.190 nan 0.000 0.445 307 A N -0.371 122.288 122.820 -0.268 0.000 1.933 307 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 307 A C 2.375 179.852 177.584 -0.178 0.000 1.175 307 A CA 2.490 54.426 52.037 -0.168 0.000 0.628 307 A CB -0.931 18.044 19.000 -0.042 0.000 0.814 307 A HN 0.549 nan 8.150 nan 0.000 0.444 308 T N 0.295 114.737 114.554 -0.187 0.000 2.708 308 T HA -0.082 4.267 4.350 -0.001 0.000 0.266 308 T C 1.824 176.409 174.700 -0.192 0.000 1.037 308 T CA 1.484 63.469 62.100 -0.193 0.000 1.146 308 T CB -0.379 68.376 68.868 -0.187 0.000 0.865 308 T HN 0.428 nan 8.240 nan 0.000 0.435 309 I N 0.802 121.263 120.570 -0.181 0.000 2.142 309 I HA -0.110 4.059 4.170 -0.001 0.000 0.240 309 I C 2.227 178.275 176.117 -0.115 0.000 1.078 309 I CA 1.287 62.514 61.300 -0.121 0.000 1.343 309 I CB -0.372 37.586 38.000 -0.070 0.000 1.046 309 I HN 0.177 nan 8.210 nan 0.000 0.405 310 L N 0.329 121.444 121.223 -0.180 0.000 2.362 310 L HA -0.118 4.221 4.340 -0.001 0.000 0.219 310 L C 1.989 178.801 176.870 -0.096 0.000 1.134 310 L CA 1.110 55.865 54.840 -0.140 0.000 0.807 310 L CB -0.473 41.456 42.059 -0.218 0.000 0.927 310 L HN 0.365 nan 8.230 nan 0.000 0.447 311 S N -2.468 113.166 115.700 -0.111 0.000 2.575 311 S HA 0.083 4.552 4.470 -0.001 0.000 0.237 311 S C 0.250 174.800 174.600 -0.084 0.000 0.975 311 S CA -0.662 57.486 58.200 -0.087 0.000 0.960 311 S CB -0.369 62.779 63.200 -0.086 0.000 0.822 311 S HN 0.419 nan 8.310 nan 0.000 0.472 312 N N 0.886 119.535 118.700 -0.085 0.000 2.491 312 N HA 0.251 4.990 4.740 -0.001 0.000 0.274 312 N C 0.119 175.602 175.510 -0.045 0.000 1.023 312 N CA -0.461 52.538 53.050 -0.084 0.000 0.902 312 N CB 1.220 39.626 38.487 -0.135 0.000 1.267 312 N HN -0.100 nan 8.380 nan 0.000 0.503 313 D N 2.429 122.809 120.400 -0.033 0.000 2.149 313 D HA -0.268 4.371 4.640 -0.001 0.000 0.194 313 D C 1.534 177.829 176.300 -0.008 0.000 1.001 313 D CA 1.666 55.658 54.000 -0.014 0.000 0.849 313 D CB -0.024 40.766 40.800 -0.017 0.000 0.939 313 D HN 0.652 nan 8.370 nan 0.000 0.449 314 A N 1.018 123.827 122.820 -0.018 0.000 1.854 314 A HA -0.062 4.257 4.320 -0.001 0.000 0.214 314 A C 2.445 180.029 177.584 -0.000 0.000 1.192 314 A CA 0.593 52.622 52.037 -0.013 0.000 0.611 314 A CB -0.777 18.211 19.000 -0.020 0.000 0.832 314 A HN 0.138 nan 8.150 nan 0.000 0.442 315 L N -1.046 120.172 121.223 -0.008 0.000 2.083 315 L HA -0.158 4.181 4.340 -0.001 0.000 0.209 315 L C 2.840 179.755 176.870 0.075 0.000 1.083 315 L CA 1.433 56.281 54.840 0.013 0.000 0.752 315 L CB -0.393 41.648 42.059 -0.029 0.000 0.899 315 L HN 0.443 nan 8.230 nan 0.000 0.433 316 R N -0.150 120.394 120.500 0.073 0.000 2.120 316 R HA -0.173 4.166 4.340 -0.001 0.000 0.234 316 R C 2.212 178.601 176.300 0.149 0.000 1.123 316 R CA 1.317 57.519 56.100 0.170 0.000 0.975 316 R CB -0.099 30.275 30.300 0.123 0.000 0.866 316 R HN 0.365 nan 8.270 nan 0.000 0.446 317 A N 0.830 123.682 122.820 0.053 0.000 1.897 317 A HA -0.080 4.239 4.320 -0.001 0.000 0.215 317 A C 2.077 179.645 177.584 -0.028 0.000 1.181 317 A CA 0.910 52.944 52.037 -0.005 0.000 0.620 317 A CB -0.319 18.673 19.000 -0.013 0.000 0.821 317 A HN 0.257 nan 8.150 nan 0.000 0.443 318 I N -2.193 118.382 120.570 0.008 0.000 2.142 318 I HA -0.275 3.894 4.170 -0.001 0.000 0.240 318 I C 2.464 178.573 176.117 -0.013 0.000 1.078 318 I CA 1.777 63.075 61.300 -0.003 0.000 1.343 318 I CB -0.473 37.539 38.000 0.021 0.000 1.046 318 I HN 0.724 nan 8.210 nan 0.000 0.405 319 W N 2.463 123.679 121.300 -0.140 0.000 2.318 319 W HA -0.250 4.409 4.660 -0.001 0.000 0.313 319 W C 2.362 178.722 176.519 -0.266 0.000 1.221 319 W CA 1.781 58.989 57.345 -0.228 0.000 1.266 319 W CB -0.358 28.933 29.460 -0.281 0.000 1.150 319 W HN 0.093 nan 8.180 nan 0.000 0.496 320 E N -0.461 119.401 120.200 -0.564 0.000 2.160 320 E HA -0.314 4.035 4.350 -0.001 0.000 0.195 320 E C 1.991 178.238 176.600 -0.587 0.000 0.991 320 E CA 1.508 57.423 56.400 -0.809 0.000 0.810 320 E CB -0.266 29.156 29.700 -0.464 0.000 0.742 320 E HN 0.270 nan 8.360 nan 0.000 0.466 321 Q N 1.140 120.716 119.800 -0.373 0.000 2.123 321 Q HA -0.133 4.206 4.340 -0.001 0.000 0.199 321 Q C 1.518 177.345 176.000 -0.288 0.000 0.966 321 Q CA 1.430 57.071 55.803 -0.271 0.000 0.845 321 Q CB 0.122 28.762 28.738 -0.163 0.000 0.907 321 Q HN 0.276 nan 8.270 nan 0.000 0.439 322 E N -0.299 119.714 120.200 -0.312 0.000 2.110 322 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 322 E C 1.839 178.200 176.600 -0.397 0.000 0.988 322 E CA 1.018 57.253 56.400 -0.275 0.000 0.804 322 E CB -0.178 29.404 29.700 -0.196 0.000 0.745 322 E HN 0.258 nan 8.360 nan 0.000 0.458 323 L N 1.071 121.924 121.223 -0.617 0.000 2.017 323 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 323 L C 2.267 178.810 176.870 -0.546 0.000 1.073 323 L CA 1.937 56.351 54.840 -0.711 0.000 0.745 323 L CB -0.775 40.661 42.059 -1.039 0.000 0.894 323 L HN 0.002 nan 8.230 nan 0.000 0.432 324 T N -0.304 113.980 114.554 -0.452 0.000 2.720 324 T HA -0.185 4.164 4.350 -0.001 0.000 0.268 324 T C 1.481 176.057 174.700 -0.206 0.000 1.037 324 T CA 1.635 63.556 62.100 -0.299 0.000 1.144 324 T CB -0.374 68.341 68.868 -0.253 0.000 0.864 324 T HN 0.408 nan 8.240 nan 0.000 0.444 325 D N 0.834 121.116 120.400 -0.197 0.000 2.097 325 D HA -0.037 4.602 4.640 -0.001 0.000 0.195 325 D C 2.143 178.394 176.300 -0.081 0.000 0.989 325 D CA 1.047 54.981 54.000 -0.110 0.000 0.827 325 D CB -0.344 40.403 40.800 -0.089 0.000 0.966 325 D HN 0.379 nan 8.370 nan 0.000 0.456 326 M N 0.082 119.555 119.600 -0.213 0.000 2.065 326 M HA -0.170 4.309 4.480 -0.001 0.000 0.259 326 M C 2.383 178.696 176.300 0.022 0.000 1.069 326 M CA 1.328 56.473 55.300 -0.258 0.000 1.110 326 M CB -0.283 31.965 32.600 -0.588 0.000 1.328 326 M HN -0.054 nan 8.290 nan 0.000 0.405 327 R N 0.594 121.038 120.500 -0.094 0.000 2.091 327 R HA -0.211 4.128 4.340 -0.001 0.000 0.238 327 R C 1.971 178.313 176.300 0.069 0.000 1.136 327 R CA 1.949 58.068 56.100 0.030 0.000 0.959 327 R CB -0.270 29.970 30.300 -0.100 0.000 0.856 327 R HN 0.526 nan 8.270 nan 0.000 0.437 328 Q N -0.343 119.468 119.800 0.018 0.000 2.079 328 Q HA -0.149 4.190 4.340 -0.001 0.000 0.200 328 Q C 2.284 178.327 176.000 0.073 0.000 0.974 328 Q CA 1.285 57.108 55.803 0.033 0.000 0.840 328 Q CB -0.168 28.570 28.738 0.001 0.000 0.898 328 Q HN 0.289 nan 8.270 nan 0.000 0.430 329 R N 0.815 121.382 120.500 0.113 0.000 2.115 329 R HA -0.108 4.231 4.340 -0.001 0.000 0.230 329 R C 1.983 178.365 176.300 0.136 0.000 1.111 329 R CA 0.936 57.118 56.100 0.138 0.000 0.976 329 R CB -0.116 30.316 30.300 0.219 0.000 0.870 329 R HN 0.289 nan 8.270 nan 0.000 0.445 330 I N 1.032 121.712 120.570 0.182 0.000 2.252 330 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 330 I C 2.378 178.545 176.117 0.083 0.000 1.102 330 I CA 1.225 62.605 61.300 0.134 0.000 1.385 330 I CB -0.305 37.800 38.000 0.176 0.000 1.064 330 I HN 0.246 nan 8.210 nan 0.000 0.414 331 Q N 0.776 120.628 119.800 0.087 0.000 2.096 331 Q HA -0.227 4.112 4.340 -0.001 0.000 0.204 331 Q C 2.294 178.328 176.000 0.056 0.000 0.982 331 Q CA 1.395 57.239 55.803 0.068 0.000 0.850 331 Q CB -0.386 28.389 28.738 0.061 0.000 0.901 331 Q HN 0.549 nan 8.270 nan 0.000 0.422 332 R N 0.010 120.541 120.500 0.053 0.000 2.092 332 R HA -0.013 4.326 4.340 -0.001 0.000 0.231 332 R C 2.211 178.537 176.300 0.042 0.000 1.119 332 R CA 1.071 57.197 56.100 0.043 0.000 0.970 332 R CB -0.154 30.170 30.300 0.040 0.000 0.864 332 R HN 0.265 nan 8.270 nan 0.000 0.440 333 M N 0.144 119.767 119.600 0.038 0.000 2.394 333 M HA -0.059 4.421 4.480 -0.001 0.000 0.264 333 M C 2.001 178.333 176.300 0.054 0.000 1.073 333 M CA 1.220 56.535 55.300 0.025 0.000 1.111 333 M CB -0.612 31.975 32.600 -0.021 0.000 1.401 333 M HN 0.066 nan 8.290 nan 0.000 0.448 334 R N 0.599 121.133 120.500 0.057 0.000 2.075 334 R HA -0.142 4.197 4.340 -0.001 0.000 0.230 334 R C 2.384 178.752 176.300 0.113 0.000 1.140 334 R CA 1.654 57.808 56.100 0.090 0.000 0.928 334 R CB -0.079 30.264 30.300 0.071 0.000 0.834 334 R HN 0.443 nan 8.270 nan 0.000 0.429 335 Q N 0.185 120.026 119.800 0.068 0.000 2.170 335 Q HA -0.190 4.149 4.340 -0.001 0.000 0.203 335 Q C 2.104 178.128 176.000 0.040 0.000 0.976 335 Q CA 1.048 56.878 55.803 0.044 0.000 0.858 335 Q CB -0.311 28.445 28.738 0.030 0.000 0.907 335 Q HN 0.292 nan 8.270 nan 0.000 0.433 336 L N 0.299 121.557 121.223 0.058 0.000 2.201 336 L HA -0.067 4.272 4.340 -0.001 0.000 0.212 336 L C 2.059 178.977 176.870 0.080 0.000 1.105 336 L CA 1.178 56.049 54.840 0.052 0.000 0.775 336 L CB -0.456 41.632 42.059 0.049 0.000 0.913 336 L HN 0.068 nan 8.230 nan 0.000 0.440 337 F N -0.626 119.284 119.950 -0.067 0.000 2.128 337 F HA -0.102 4.424 4.527 -0.001 0.000 0.295 337 F C 2.397 178.127 175.800 -0.118 0.000 1.100 337 F CA 1.732 59.670 58.000 -0.103 0.000 1.260 337 F CB -0.792 38.139 39.000 -0.115 0.000 1.009 337 F HN -0.003 nan 8.300 nan 0.000 0.476 338 V N 0.359 120.162 119.914 -0.184 0.000 2.407 338 V HA -0.269 3.850 4.120 -0.001 0.000 0.248 338 V C 1.890 177.874 176.094 -0.183 0.000 1.055 338 V CA 2.673 64.810 62.300 -0.271 0.000 1.049 338 V CB -1.001 30.727 31.823 -0.159 0.000 0.662 338 V HN 0.431 nan 8.190 nan 0.000 0.455 339 N N 0.624 119.264 118.700 -0.101 0.000 2.080 339 N HA -0.126 4.613 4.740 -0.001 0.000 0.189 339 N C 1.889 177.350 175.510 -0.082 0.000 1.036 339 N CA 2.329 55.338 53.050 -0.068 0.000 0.846 339 N CB -0.645 37.822 38.487 -0.032 0.000 1.015 339 N HN 0.563 nan 8.380 nan 0.000 0.423 340 T N 1.276 115.780 114.554 -0.083 0.000 2.759 340 T HA -0.114 4.235 4.350 -0.001 0.000 0.269 340 T C 1.702 176.324 174.700 -0.130 0.000 1.042 340 T CA 0.677 62.729 62.100 -0.080 0.000 1.140 340 T CB -0.296 68.546 68.868 -0.042 0.000 0.864 340 T HN 0.022 nan 8.240 nan 0.000 0.455 341 L N 1.424 122.502 121.223 -0.242 0.000 1.971 341 L HA -0.143 4.196 4.340 -0.001 0.000 0.215 341 L C 2.740 179.543 176.870 -0.113 0.000 1.072 341 L CA 1.747 56.429 54.840 -0.263 0.000 0.758 341 L CB -1.375 40.401 42.059 -0.473 0.000 0.889 341 L HN 0.363 nan 8.230 nan 0.000 0.433 342 Q N -0.022 119.727 119.800 -0.085 0.000 1.985 342 Q HA -0.294 4.045 4.340 -0.001 0.000 0.207 342 Q C 1.880 177.858 176.000 -0.036 0.000 0.996 342 Q CA 2.233 58.013 55.803 -0.038 0.000 0.851 342 Q CB -0.470 28.247 28.738 -0.035 0.000 0.921 342 Q HN 0.602 nan 8.270 nan 0.000 0.418 343 E N -0.065 120.109 120.200 -0.044 0.000 2.527 343 E HA -0.158 4.191 4.350 -0.001 0.000 0.204 343 E C 0.687 177.267 176.600 -0.035 0.000 1.132 343 E CA 0.575 56.955 56.400 -0.034 0.000 0.905 343 E CB 0.138 29.818 29.700 -0.033 0.000 0.875 343 E HN 0.164 nan 8.360 nan 0.000 0.548 344 K N -1.797 118.578 120.400 -0.041 0.000 2.553 344 K HA 0.170 4.489 4.320 -0.001 0.000 0.205 344 K C 0.281 176.860 176.600 -0.035 0.000 1.168 344 K CA 0.471 56.733 56.287 -0.041 0.000 1.043 344 K CB 1.154 33.619 32.500 -0.060 0.000 0.967 344 K HN 0.187 nan 8.250 nan 0.000 0.585 345 G N 0.750 109.536 108.800 -0.024 0.000 1.676 345 G HA2 0.089 4.048 3.960 -0.001 0.000 0.199 345 G HA3 0.089 4.048 3.960 -0.001 0.000 0.199 345 G C -0.701 174.201 174.900 0.004 0.000 1.990 345 G CA -0.168 44.925 45.100 -0.012 0.000 1.393 345 G HN 0.840 nan 8.290 nan 0.000 0.449 346 A N 0.433 123.267 122.820 0.023 0.000 1.411 346 A HA 0.024 4.343 4.320 -0.001 0.000 0.183 346 A C 1.217 178.829 177.584 0.048 0.000 1.192 346 A CA 1.980 54.066 52.037 0.082 0.000 0.677 346 A CB -1.328 17.772 19.000 0.167 0.000 1.075 346 A HN 2.264 nan 8.150 nan 0.000 0.161 347 N N 2.453 121.176 118.700 0.037 0.000 2.106 347 N HA -0.103 4.636 4.740 -0.001 0.000 0.188 347 N C 0.812 176.293 175.510 -0.049 0.000 1.029 347 N CA 1.410 54.458 53.050 -0.003 0.000 0.848 347 N CB -0.198 38.288 38.487 -0.002 0.000 1.007 347 N HN 0.880 nan 8.380 nan 0.000 0.423 348 R N 0.300 120.733 120.500 -0.111 0.000 2.707 348 R HA 0.150 4.489 4.340 -0.001 0.000 0.270 348 R C -0.776 175.326 176.300 -0.329 0.000 1.083 348 R CA -0.391 55.528 56.100 -0.302 0.000 1.182 348 R CB 0.048 29.978 30.300 -0.616 0.000 1.084 348 R HN 0.266 nan 8.270 nan 0.000 0.528 349 D N 0.116 120.325 120.400 -0.317 0.000 2.280 349 D HA 0.129 4.769 4.640 -0.001 0.000 0.236 349 D C -0.781 175.344 176.300 -0.292 0.000 1.082 349 D CA -0.449 53.438 54.000 -0.188 0.000 0.834 349 D CB 0.484 41.240 40.800 -0.073 0.000 1.100 349 D HN 0.389 nan 8.370 nan 0.000 0.486 350 F N 1.870 121.712 119.950 -0.180 0.000 2.668 350 F HA 0.108 4.635 4.527 -0.001 0.000 0.301 350 F C 2.295 177.677 175.800 -0.697 0.000 1.106 350 F CA -0.183 57.514 58.000 -0.504 0.000 1.289 350 F CB 0.099 38.820 39.000 -0.464 0.000 1.006 350 F HN 0.449 nan 8.300 nan 0.000 0.535 351 S N 0.572 116.141 115.700 -0.219 0.000 2.402 351 S HA -0.305 4.164 4.470 -0.001 0.000 0.233 351 S C 2.065 176.565 174.600 -0.167 0.000 1.030 351 S CA 1.566 59.682 58.200 -0.140 0.000 1.003 351 S CB -1.353 61.833 63.200 -0.022 0.000 0.813 351 S HN 0.500 nan 8.310 nan 0.000 0.477 352 F N 1.271 121.215 119.950 -0.010 0.000 2.373 352 F HA 0.175 4.701 4.527 -0.001 0.000 0.300 352 F C 1.796 177.659 175.800 0.105 0.000 1.080 352 F CA 0.121 58.133 58.000 0.022 0.000 1.417 352 F CB -0.841 38.111 39.000 -0.080 0.000 1.070 352 F HN 0.159 nan 8.300 nan 0.000 0.546 353 I N 0.998 121.233 120.570 -0.559 0.000 2.700 353 I HA -0.221 3.948 4.170 -0.001 0.000 0.261 353 I C 1.965 178.094 176.117 0.020 0.000 1.219 353 I CA 0.766 61.950 61.300 -0.194 0.000 1.463 353 I CB -0.312 37.555 38.000 -0.222 0.000 1.092 353 I HN 0.264 nan 8.210 nan 0.000 0.452 354 I N 0.797 121.372 120.570 0.009 0.000 3.059 354 I HA -0.130 4.039 4.170 -0.001 0.000 0.270 354 I C 1.473 177.644 176.117 0.090 0.000 1.238 354 I CA 0.896 62.227 61.300 0.053 0.000 1.478 354 I CB -0.571 37.448 38.000 0.032 0.000 1.097 354 I HN 0.308 nan 8.210 nan 0.000 0.455 355 K N 1.097 121.573 120.400 0.127 0.000 2.410 355 K HA 0.236 4.555 4.320 -0.001 0.000 0.200 355 K C 0.290 176.991 176.600 0.168 0.000 1.023 355 K CA -0.059 56.313 56.287 0.142 0.000 1.149 355 K CB 0.186 32.776 32.500 0.150 0.000 0.859 355 K HN 0.324 nan 8.250 nan 0.000 0.514 356 Q N 1.293 121.200 119.800 0.178 0.000 2.235 356 Q HA 0.272 4.611 4.340 -0.001 0.000 0.256 356 Q C -0.988 175.100 176.000 0.147 0.000 0.951 356 Q CA -0.565 55.351 55.803 0.189 0.000 0.890 356 Q CB 1.563 30.441 28.738 0.233 0.000 1.279 356 Q HN 0.202 nan 8.270 nan 0.000 0.444 357 N N 0.026 118.813 118.700 0.145 0.000 2.417 357 N HA 0.685 5.424 4.740 -0.001 0.000 0.300 357 N C -0.202 175.347 175.510 0.066 0.000 1.102 357 N CA 0.055 53.180 53.050 0.125 0.000 0.886 357 N CB 1.680 40.263 38.487 0.160 0.000 1.203 357 N HN 0.770 nan 8.380 nan 0.000 0.496 358 G N 0.422 109.247 108.800 0.041 0.000 2.451 358 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.208 358 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.208 358 G C 0.352 175.108 174.900 -0.240 0.000 1.248 358 G CA -0.381 44.648 45.100 -0.117 0.000 0.989 358 G HN 0.466 nan 8.290 nan 0.000 0.559 359 M N -0.199 119.033 119.600 -0.613 0.000 2.435 359 M HA 0.315 4.794 4.480 -0.001 0.000 0.265 359 M C 0.206 176.107 176.300 -0.665 0.000 1.104 359 M CA 1.111 55.979 55.300 -0.720 0.000 1.140 359 M CB 0.080 32.002 32.600 -1.129 0.000 1.372 359 M HN 0.263 nan 8.290 nan 0.000 0.456 360 F N -0.649 119.243 119.950 -0.097 0.000 2.579 360 F HA 0.447 4.973 4.527 -0.002 0.000 0.324 360 F C 0.323 176.139 175.800 0.027 0.000 1.058 360 F CA -1.511 56.468 58.000 -0.036 0.000 0.944 360 F CB 1.122 40.111 39.000 -0.018 0.000 1.245 360 F HN -0.197 nan 8.300 nan 0.000 0.477 361 S N 0.587 116.470 115.700 0.306 0.000 2.482 361 S HA 0.595 5.064 4.470 -0.001 0.000 0.303 361 S C -1.185 173.677 174.600 0.437 0.000 1.091 361 S CA -0.581 57.811 58.200 0.319 0.000 1.057 361 S CB 1.386 64.734 63.200 0.247 0.000 1.031 361 S HN 0.421 nan 8.310 nan 0.000 0.485 362 F N 3.937 124.034 119.950 0.244 0.000 2.423 362 F HA 0.312 4.838 4.527 -0.001 0.000 0.356 362 F C 1.732 177.766 175.800 0.390 0.000 1.170 362 F CA -1.578 56.539 58.000 0.195 0.000 1.163 362 F CB 0.180 39.195 39.000 0.025 0.000 1.318 362 F HN 0.861 nan 8.300 nan 0.000 0.569 363 S N 2.537 118.455 115.700 0.364 0.000 2.442 363 S HA -0.008 4.462 4.470 -0.001 0.000 0.236 363 S C 1.820 176.725 174.600 0.508 0.000 1.007 363 S CA 0.808 59.278 58.200 0.450 0.000 0.965 363 S CB -0.671 62.707 63.200 0.296 0.000 0.773 363 S HN 1.366 nan 8.310 nan 0.000 0.504 364 G N 0.101 109.021 108.800 0.201 0.000 2.157 364 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.248 364 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.248 364 G C -0.169 174.811 174.900 0.134 0.000 0.979 364 G CA 0.151 45.354 45.100 0.173 0.000 0.650 364 G HN 0.459 nan 8.290 nan 0.000 0.529 365 L N 1.013 122.304 121.223 0.113 0.000 2.436 365 L HA 0.644 4.983 4.340 -0.001 0.000 0.265 365 L C 1.295 178.178 176.870 0.021 0.000 1.168 365 L CA 0.068 54.966 54.840 0.097 0.000 0.815 365 L CB 0.927 43.044 42.059 0.096 0.000 1.109 365 L HN 0.131 nan 8.230 nan 0.000 0.462 366 T N 1.465 116.039 114.554 0.033 0.000 2.874 366 T HA 0.146 4.495 4.350 -0.001 0.000 0.281 366 T C 1.244 175.951 174.700 0.012 0.000 0.994 366 T CA -0.456 61.652 62.100 0.013 0.000 1.015 366 T CB 0.809 69.692 68.868 0.025 0.000 1.028 366 T HN 0.713 nan 8.240 nan 0.000 0.523 367 K N 1.361 121.764 120.400 0.006 0.000 2.103 367 K HA -0.159 4.160 4.320 -0.001 0.000 0.207 367 K C 1.372 177.979 176.600 0.012 0.000 1.048 367 K CA 1.792 58.083 56.287 0.008 0.000 0.930 367 K CB -0.044 32.460 32.500 0.007 0.000 0.716 367 K HN 0.426 nan 8.250 nan 0.000 0.444 368 E N 1.013 121.222 120.200 0.015 0.000 2.152 368 E HA -0.090 4.259 4.350 -0.001 0.000 0.192 368 E C 2.116 178.733 176.600 0.027 0.000 0.983 368 E CA 1.079 57.489 56.400 0.017 0.000 0.818 368 E CB 0.026 29.736 29.700 0.017 0.000 0.758 368 E HN 0.419 nan 8.360 nan 0.000 0.467 369 Q N -0.032 119.790 119.800 0.037 0.000 2.046 369 Q HA -0.124 4.215 4.340 -0.001 0.000 0.200 369 Q C 2.415 178.447 176.000 0.054 0.000 0.975 369 Q CA 1.694 57.531 55.803 0.057 0.000 0.836 369 Q CB -0.123 28.654 28.738 0.065 0.000 0.896 369 Q HN 0.377 nan 8.270 nan 0.000 0.428 370 V N -0.691 119.244 119.914 0.035 0.000 2.427 370 V HA -0.179 3.940 4.120 -0.001 0.000 0.248 370 V C 1.979 178.071 176.094 -0.005 0.000 1.051 370 V CA 1.160 63.473 62.300 0.022 0.000 1.048 370 V CB -0.502 31.333 31.823 0.019 0.000 0.666 370 V HN 0.332 nan 8.190 nan 0.000 0.456 371 L N 1.000 122.220 121.223 -0.006 0.000 2.012 371 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 371 L C 2.819 179.666 176.870 -0.037 0.000 1.073 371 L CA 2.864 57.688 54.840 -0.026 0.000 0.748 371 L CB -1.264 40.786 42.059 -0.013 0.000 0.891 371 L HN 0.538 nan 8.230 nan 0.000 0.431 372 R N -0.558 119.941 120.500 -0.002 0.000 2.081 372 R HA -0.155 4.184 4.340 -0.001 0.000 0.235 372 R C 2.434 178.765 176.300 0.052 0.000 1.131 372 R CA 1.288 57.395 56.100 0.011 0.000 0.960 372 R CB -0.328 30.009 30.300 0.062 0.000 0.856 372 R HN 0.362 nan 8.270 nan 0.000 0.436 373 L N 0.287 121.577 121.223 0.112 0.000 2.042 373 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 373 L C 2.928 179.827 176.870 0.049 0.000 1.076 373 L CA 1.587 56.543 54.840 0.193 0.000 0.749 373 L CB -0.411 41.706 42.059 0.097 0.000 0.893 373 L HN 0.304 nan 8.230 nan 0.000 0.432 374 R N -0.198 120.229 120.500 -0.122 0.000 2.056 374 R HA -0.157 4.182 4.340 -0.001 0.000 0.227 374 R C 2.245 178.407 176.300 -0.229 0.000 1.149 374 R CA 1.349 57.246 56.100 -0.338 0.000 0.937 374 R CB -0.076 29.968 30.300 -0.427 0.000 0.835 374 R HN 0.148 nan 8.270 nan 0.000 0.430 375 E N 0.827 120.927 120.200 -0.168 0.000 2.033 375 E HA -0.200 4.149 4.350 -0.001 0.000 0.199 375 E C 1.879 178.363 176.600 -0.193 0.000 1.011 375 E CA 1.492 57.807 56.400 -0.142 0.000 0.815 375 E CB -0.225 29.406 29.700 -0.115 0.000 0.755 375 E HN 0.358 nan 8.360 nan 0.000 0.451 376 E N -1.140 118.883 120.200 -0.294 0.000 2.016 376 E HA -0.076 4.273 4.350 -0.001 0.000 0.190 376 E C 1.825 178.010 176.600 -0.692 0.000 0.985 376 E CA 0.859 56.900 56.400 -0.599 0.000 0.802 376 E CB -0.077 29.045 29.700 -0.963 0.000 0.762 376 E HN 0.237 nan 8.360 nan 0.000 0.448 377 F N -1.006 118.925 119.950 -0.031 0.000 2.746 377 F HA 0.292 4.818 4.527 -0.001 0.000 0.297 377 F C 1.545 177.339 175.800 -0.011 0.000 1.113 377 F CA 0.528 58.518 58.000 -0.016 0.000 1.367 377 F CB 0.559 39.556 39.000 -0.006 0.000 1.111 377 F HN 0.156 nan 8.300 nan 0.000 0.590 378 G N 0.825 109.657 108.800 0.054 0.000 2.143 378 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.249 378 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.249 378 G C -0.098 174.902 174.900 0.167 0.000 0.981 378 G CA 0.084 45.233 45.100 0.082 0.000 0.665 378 G HN 0.183 nan 8.290 nan 0.000 0.528 379 V N 0.716 120.688 119.914 0.096 0.000 2.439 379 V HA 0.566 4.686 4.120 -0.001 0.000 0.282 379 V C -0.063 176.041 176.094 0.016 0.000 1.039 379 V CA -0.823 61.563 62.300 0.144 0.000 0.913 379 V CB 1.044 32.930 31.823 0.104 0.000 0.983 379 V HN 0.217 nan 8.190 nan 0.000 0.460 380 Y N 3.220 123.605 120.300 0.142 0.000 2.335 380 Y HA 0.721 5.271 4.550 -0.001 0.000 0.339 380 Y C 0.439 176.364 175.900 0.043 0.000 0.987 380 Y CA -0.258 57.913 58.100 0.118 0.000 1.140 380 Y CB 1.629 40.194 38.460 0.175 0.000 1.173 380 Y HN 0.766 nan 8.280 nan 0.000 0.486 381 A N 2.233 125.128 122.820 0.125 0.000 2.527 381 A HA 0.831 5.150 4.320 -0.001 0.000 0.293 381 A C -1.243 176.391 177.584 0.082 0.000 1.117 381 A CA -0.813 51.276 52.037 0.088 0.000 0.723 381 A CB 0.868 19.902 19.000 0.057 0.000 1.313 381 A HN 0.419 nan 8.150 nan 0.000 0.411 382 V N 1.041 120.996 119.914 0.068 0.000 2.834 382 V HA 0.382 4.501 4.120 -0.001 0.000 0.301 382 V C 1.804 177.927 176.094 0.047 0.000 1.066 382 V CA 0.510 62.843 62.300 0.055 0.000 1.052 382 V CB 1.159 33.000 31.823 0.031 0.000 1.021 382 V HN 1.320 nan 8.190 nan 0.000 0.480 383 A N 2.723 125.566 122.820 0.038 0.000 2.084 383 A HA -0.146 4.174 4.320 -0.001 0.000 0.221 383 A C 2.232 179.832 177.584 0.026 0.000 1.161 383 A CA 1.982 54.036 52.037 0.027 0.000 0.653 383 A CB -0.617 18.395 19.000 0.021 0.000 0.802 383 A HN 1.092 nan 8.150 nan 0.000 0.457 384 S N -2.144 113.589 115.700 0.055 0.000 2.481 384 S HA 0.325 4.794 4.470 -0.001 0.000 0.231 384 S C 1.462 176.019 174.600 -0.072 0.000 0.996 384 S CA 1.132 59.378 58.200 0.076 0.000 0.942 384 S CB -0.296 63.069 63.200 0.276 0.000 0.768 384 S HN 1.910 nan 8.310 nan 0.000 0.520 385 G N 0.979 109.767 108.800 -0.020 0.000 2.163 385 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.213 385 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.213 385 G C 0.022 174.946 174.900 0.040 0.000 0.991 385 G CA -0.156 44.910 45.100 -0.057 0.000 0.653 385 G HN 0.579 nan 8.290 nan 0.000 0.518 386 R N 0.860 121.447 120.500 0.146 0.000 2.267 386 R HA 0.500 4.839 4.340 -0.001 0.000 0.319 386 R C 0.396 176.779 176.300 0.137 0.000 1.067 386 R CA 0.478 56.713 56.100 0.224 0.000 0.936 386 R CB 0.848 31.234 30.300 0.142 0.000 1.006 386 R HN 0.735 nan 8.270 nan 0.000 0.452 387 V N 1.626 121.642 119.914 0.170 0.000 2.667 387 V HA 0.423 4.542 4.120 -0.001 0.000 0.308 387 V C -0.096 176.129 176.094 0.218 0.000 1.048 387 V CA -1.063 61.300 62.300 0.106 0.000 0.928 387 V CB 1.824 33.621 31.823 -0.043 0.000 1.004 387 V HN 0.820 nan 8.190 nan 0.000 0.444 388 N N 2.383 121.179 118.700 0.160 0.000 2.558 388 N HA 0.268 5.007 4.740 -0.001 0.000 0.233 388 N C 0.760 176.208 175.510 -0.104 0.000 1.038 388 N CA -0.450 52.680 53.050 0.134 0.000 0.934 388 N CB 1.602 40.169 38.487 0.133 0.000 1.175 388 N HN 0.637 nan 8.380 nan 0.000 0.512 389 V N 3.534 123.357 119.914 -0.151 0.000 2.392 389 V HA -0.256 3.863 4.120 -0.001 0.000 0.249 389 V C 2.380 178.369 176.094 -0.176 0.000 1.059 389 V CA 2.200 64.374 62.300 -0.209 0.000 1.051 389 V CB -0.729 30.999 31.823 -0.157 0.000 0.658 389 V HN 0.810 nan 8.190 nan 0.000 0.455 390 A N 0.298 123.031 122.820 -0.145 0.000 2.186 390 A HA -0.040 4.279 4.320 -0.001 0.000 0.219 390 A C 2.172 179.653 177.584 -0.172 0.000 1.159 390 A CA 1.578 53.548 52.037 -0.112 0.000 0.680 390 A CB -0.696 18.297 19.000 -0.012 0.000 0.787 390 A HN 0.578 nan 8.150 nan 0.000 0.467 391 G N -1.591 107.075 108.800 -0.224 0.000 3.042 391 G HA2 0.344 4.303 3.960 -0.001 0.000 0.212 391 G HA3 0.344 4.303 3.960 -0.001 0.000 0.212 391 G C 0.520 175.168 174.900 -0.419 0.000 1.166 391 G CA -0.322 44.484 45.100 -0.489 0.000 0.767 391 G HN 0.442 nan 8.290 nan 0.000 0.546 392 M N 1.806 121.239 119.600 -0.278 0.000 2.249 392 M HA 0.415 4.894 4.480 -0.001 0.000 0.351 392 M C 0.290 176.497 176.300 -0.154 0.000 1.180 392 M CA -0.077 55.093 55.300 -0.217 0.000 1.127 392 M CB 1.743 34.217 32.600 -0.210 0.000 1.546 392 M HN 0.114 nan 8.290 nan 0.000 0.461 393 T N -0.755 113.731 114.554 -0.114 0.000 2.906 393 T HA 0.510 4.859 4.350 -0.001 0.000 0.295 393 T C -2.501 172.178 174.700 -0.035 0.000 1.075 393 T CA -1.857 60.202 62.100 -0.068 0.000 1.005 393 T CB 1.749 70.579 68.868 -0.063 0.000 1.136 393 T HN 0.283 nan 8.240 nan 0.000 0.498 394 P HA -0.072 nan 4.420 nan 0.000 0.217 394 P C 0.922 178.220 177.300 -0.003 0.000 1.148 394 P CA 1.147 64.245 63.100 -0.003 0.000 0.828 394 P CB 0.043 31.744 31.700 0.003 0.000 0.783 395 D N -1.071 119.325 120.400 -0.006 0.000 2.234 395 D HA -0.077 4.562 4.640 -0.001 0.000 0.205 395 D C 1.296 177.593 176.300 -0.005 0.000 0.962 395 D CA 0.976 54.974 54.000 -0.002 0.000 0.855 395 D CB -0.338 40.464 40.800 0.002 0.000 0.951 395 D HN 0.356 nan 8.370 nan 0.000 0.500 396 N N 0.154 118.844 118.700 -0.017 0.000 2.254 396 N HA -0.033 4.706 4.740 -0.001 0.000 0.190 396 N C 1.558 177.061 175.510 -0.012 0.000 1.107 396 N CA 0.031 53.071 53.050 -0.016 0.000 0.869 396 N CB -0.263 38.205 38.487 -0.033 0.000 0.983 396 N HN -0.058 nan 8.380 nan 0.000 0.487 397 M N 1.334 120.930 119.600 -0.008 0.000 2.073 397 M HA -0.048 4.431 4.480 -0.001 0.000 0.258 397 M C 1.954 178.264 176.300 0.015 0.000 1.070 397 M CA 1.821 57.130 55.300 0.014 0.000 1.103 397 M CB -0.716 31.897 32.600 0.022 0.000 1.321 397 M HN 0.300 nan 8.290 nan 0.000 0.405 398 A N 0.408 123.230 122.820 0.003 0.000 1.841 398 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 398 A C -0.268 177.306 177.584 -0.015 0.000 1.199 398 A CA 2.100 54.132 52.037 -0.008 0.000 0.621 398 A CB -2.499 16.497 19.000 -0.007 0.000 0.835 398 A HN 0.492 nan 8.150 nan 0.000 0.445 399 P HA -0.140 nan 4.420 nan 0.000 0.219 399 P C 1.545 178.831 177.300 -0.022 0.000 1.146 399 P CA 1.286 64.380 63.100 -0.010 0.000 0.808 399 P CB -0.196 31.512 31.700 0.014 0.000 0.779 400 L N -1.138 120.081 121.223 -0.008 0.000 2.131 400 L HA 0.039 4.378 4.340 -0.001 0.000 0.206 400 L C 2.033 178.897 176.870 -0.009 0.000 1.087 400 L CA 1.781 56.620 54.840 -0.001 0.000 0.767 400 L CB -1.232 40.832 42.059 0.009 0.000 0.917 400 L HN -0.135 nan 8.230 nan 0.000 0.441 401 C N 0.144 119.439 119.300 -0.008 0.000 2.481 401 C HA 0.014 4.473 4.460 -0.001 0.000 0.275 401 C C 2.493 177.419 174.990 -0.106 0.000 1.419 401 C CA 0.510 59.499 59.018 -0.048 0.000 1.773 401 C CB -0.900 26.802 27.740 -0.064 0.000 1.862 401 C HN 0.611 nan 8.230 nan 0.000 0.530 402 E N 1.184 121.315 120.200 -0.115 0.000 2.051 402 E HA -0.079 4.270 4.350 -0.001 0.000 0.189 402 E C 2.413 178.830 176.600 -0.304 0.000 0.979 402 E CA 1.140 57.441 56.400 -0.165 0.000 0.803 402 E CB -0.210 29.411 29.700 -0.131 0.000 0.761 402 E HN 0.616 nan 8.360 nan 0.000 0.451 403 A N 1.337 123.930 122.820 -0.377 0.000 1.940 403 A HA -0.183 4.136 4.320 -0.001 0.000 0.219 403 A C 2.157 179.481 177.584 -0.434 0.000 1.176 403 A CA 1.085 52.702 52.037 -0.701 0.000 0.631 403 A CB -0.598 18.147 19.000 -0.426 0.000 0.814 403 A HN 0.140 nan 8.150 nan 0.000 0.446 404 I N -0.541 119.905 120.570 -0.207 0.000 2.179 404 I HA -0.147 4.022 4.170 -0.001 0.000 0.242 404 I C 1.327 177.390 176.117 -0.090 0.000 1.088 404 I CA 0.388 61.625 61.300 -0.106 0.000 1.357 404 I CB -0.431 37.522 38.000 -0.079 0.000 1.051 404 I HN 0.089 nan 8.210 nan 0.000 0.409 408 V N -1.566 118.347 119.914 -0.001 0.000 3.477 408 V HA 0.514 4.633 4.120 -0.001 0.000 0.297 408 V C 0.695 176.831 176.094 0.071 0.000 1.433 408 V CA -0.112 62.234 62.300 0.075 0.000 1.052 408 V CB -0.488 31.402 31.823 0.113 0.000 0.895 408 V HN 0.302 nan 8.190 nan 0.000 0.438 409 L N 0.000 121.260 121.223 0.061 0.000 2.949 409 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 409 L CA 0.000 54.886 54.840 0.077 0.000 0.813 409 L CB 0.000 42.115 42.059 0.093 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502