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 1vfs_1_A DATA FIRST_RESID 3 DATA SEQUENCE ETPTRVYAEI DLDAVRANVR ALRARAPRSA LMAVVKSNAY GHGAVPCARA DATA SEQUENCE AQEAGAAWLG TATPEEALEL RAAGIQGRIM CWLWTPGGPW REAIETDIDV DATA SEQUENCE SVSGMWALDE VRAAARAAGR TARIQLXADT GLGRNGCQPA DWAELVGAAV DATA SEQUENCE AAQAEGTVQV TGVWSHFACA DEPGHPSIRL QLDAFRDMLA YAEKEGVDPE DATA SEQUENCE VRHIANSPAT LTLPETHFDL VRTGLAVYGV SPSPELGTPA QLGLRPAMTL DATA SEQUENCE RASLALVKTV PAGHGVSYGH HYVTESETHL ALVPAGYADG IPRNASGRGP DATA SEQUENCE VLVAGKIRRA AGRIAMDQFV VDLGEDLAEA GDEAVILGDA ERGEPTAEDW DATA SEQUENCE AQAAHTIAYE IVTRIGGRVP RVYLGGLEHH HHH 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.542 176.600 -0.097 0.000 1.382 3 E CA 0.000 56.364 56.400 -0.060 0.000 0.976 3 E CB 0.000 29.670 29.700 -0.050 0.000 0.812 4 T N 2.526 116.999 114.554 -0.135 0.000 2.756 4 T HA 0.553 4.902 4.350 -0.001 0.000 0.290 4 T C -2.626 171.912 174.700 -0.269 0.000 0.985 4 T CA -1.597 60.356 62.100 -0.245 0.000 0.955 4 T CB 0.928 69.625 68.868 -0.286 0.000 0.930 4 T HN -0.142 nan 8.240 nan 0.000 0.451 5 P HA -0.074 nan 4.420 nan 0.000 0.255 5 P C 1.059 178.301 177.300 -0.096 0.000 1.123 5 P CA 0.579 63.577 63.100 -0.169 0.000 0.766 5 P CB 0.290 31.907 31.700 -0.138 0.000 0.705 6 T N 0.499 115.029 114.554 -0.039 0.000 3.100 6 T HA 0.045 4.394 4.350 -0.001 0.000 0.253 6 T C 1.460 176.172 174.700 0.019 0.000 1.118 6 T CA 0.339 62.432 62.100 -0.012 0.000 1.058 6 T CB 0.249 69.104 68.868 -0.022 0.000 0.953 6 T HN 0.290 nan 8.240 nan 0.000 0.515 7 R N -0.289 120.231 120.500 0.033 0.000 2.049 7 R HA 0.565 4.904 4.340 -0.001 0.000 0.202 7 R C -0.269 176.063 176.300 0.053 0.000 1.306 7 R CA 0.377 56.492 56.100 0.026 0.000 1.107 7 R CB 0.419 30.723 30.300 0.006 0.000 0.996 7 R HN 0.275 nan 8.270 nan 0.000 0.469 8 V N 0.519 120.485 119.914 0.088 0.000 3.077 8 V HA 0.513 4.632 4.120 -0.001 0.000 0.299 8 V C -2.125 174.069 176.094 0.166 0.000 1.276 8 V CA -0.723 61.619 62.300 0.070 0.000 0.993 8 V CB 2.136 33.949 31.823 -0.017 0.000 1.076 8 V HN 0.467 nan 8.190 nan 0.000 0.434 9 Y N 2.849 123.102 120.300 -0.077 0.000 2.641 9 Y HA 0.899 5.447 4.550 -0.002 0.000 0.333 9 Y C -0.760 175.070 175.900 -0.116 0.000 1.174 9 Y CA -0.680 57.364 58.100 -0.093 0.000 1.057 9 Y CB 1.139 39.547 38.460 -0.087 0.000 1.322 9 Y HN 1.043 nan 8.280 nan 0.000 0.457 10 A N 2.171 124.947 122.820 -0.072 0.000 2.271 10 A HA 0.526 4.845 4.320 -0.001 0.000 0.317 10 A C -0.722 176.788 177.584 -0.123 0.000 1.245 10 A CA -0.616 51.309 52.037 -0.186 0.000 0.857 10 A CB 0.714 19.595 19.000 -0.199 0.000 1.175 10 A HN 0.751 nan 8.150 nan 0.000 0.512 11 E N 3.717 123.835 120.200 -0.136 0.000 2.146 11 E HA 0.411 4.760 4.350 -0.001 0.000 0.282 11 E C -0.983 175.549 176.600 -0.114 0.000 0.989 11 E CA -0.549 55.809 56.400 -0.071 0.000 0.799 11 E CB 0.557 30.269 29.700 0.020 0.000 1.088 11 E HN 0.513 nan 8.360 nan 0.000 0.397 12 I N 4.201 124.667 120.570 -0.173 0.000 2.339 12 I HA 0.160 4.329 4.170 -0.001 0.000 0.290 12 I C -0.025 176.129 176.117 0.062 0.000 0.994 12 I CA -0.635 60.647 61.300 -0.030 0.000 1.191 12 I CB 1.085 39.083 38.000 -0.003 0.000 1.343 12 I HN 0.590 nan 8.210 nan 0.000 0.458 13 D N 6.385 126.839 120.400 0.091 0.000 2.393 13 D HA 0.094 4.734 4.640 -0.001 0.000 0.232 13 D C 0.939 177.306 176.300 0.111 0.000 1.192 13 D CA -0.395 53.655 54.000 0.083 0.000 0.882 13 D CB 1.134 41.971 40.800 0.062 0.000 1.038 13 D HN 0.236 nan 8.370 nan 0.000 0.499 14 L N 3.453 124.750 121.223 0.124 0.000 2.265 14 L HA -0.099 4.241 4.340 -0.001 0.000 0.215 14 L C 1.673 178.598 176.870 0.091 0.000 1.117 14 L CA 1.225 56.142 54.840 0.129 0.000 0.782 14 L CB -0.343 41.817 42.059 0.169 0.000 0.914 14 L HN 0.367 nan 8.230 nan 0.000 0.441 15 D N -0.901 119.544 120.400 0.074 0.000 2.183 15 D HA -0.040 4.599 4.640 -0.001 0.000 0.203 15 D C 2.202 178.523 176.300 0.035 0.000 0.969 15 D CA 1.182 55.214 54.000 0.053 0.000 0.842 15 D CB 0.183 41.010 40.800 0.045 0.000 0.957 15 D HN 0.301 nan 8.370 nan 0.000 0.484 16 A N 0.558 123.401 122.820 0.038 0.000 1.930 16 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 16 A C 2.476 180.059 177.584 -0.002 0.000 1.175 16 A CA 0.891 52.942 52.037 0.023 0.000 0.627 16 A CB -0.581 18.442 19.000 0.038 0.000 0.815 16 A HN 0.118 nan 8.150 nan 0.000 0.443 17 V N -0.097 119.821 119.914 0.006 0.000 2.261 17 V HA -0.264 3.855 4.120 -0.001 0.000 0.246 17 V C 2.615 178.673 176.094 -0.060 0.000 1.047 17 V CA 2.266 64.538 62.300 -0.047 0.000 1.015 17 V CB -0.798 31.016 31.823 -0.016 0.000 0.642 17 V HN 0.543 nan 8.190 nan 0.000 0.446 18 R N -0.274 120.214 120.500 -0.020 0.000 2.091 18 R HA -0.198 4.141 4.340 -0.001 0.000 0.238 18 R C 2.384 178.670 176.300 -0.024 0.000 1.136 18 R CA 1.660 57.751 56.100 -0.015 0.000 0.959 18 R CB -0.545 29.766 30.300 0.018 0.000 0.856 18 R HN 0.550 nan 8.270 nan 0.000 0.437 19 A N 1.205 124.015 122.820 -0.017 0.000 1.933 19 A HA -0.184 4.135 4.320 -0.001 0.000 0.218 19 A C 1.711 179.273 177.584 -0.036 0.000 1.175 19 A CA 1.596 53.622 52.037 -0.019 0.000 0.628 19 A CB -0.426 18.569 19.000 -0.008 0.000 0.814 19 A HN 0.325 nan 8.150 nan 0.000 0.444 20 N N -0.049 118.616 118.700 -0.059 0.000 2.171 20 N HA -0.119 4.620 4.740 -0.001 0.000 0.184 20 N C 1.849 177.302 175.510 -0.095 0.000 1.021 20 N CA 1.598 54.598 53.050 -0.083 0.000 0.854 20 N CB -0.791 37.622 38.487 -0.124 0.000 0.994 20 N HN 0.389 nan 8.380 nan 0.000 0.426 21 V N 1.408 121.258 119.914 -0.107 0.000 2.515 21 V HA -0.109 4.010 4.120 -0.001 0.000 0.250 21 V C 2.215 178.271 176.094 -0.064 0.000 1.058 21 V CA 1.411 63.650 62.300 -0.101 0.000 1.064 21 V CB -0.189 31.572 31.823 -0.104 0.000 0.675 21 V HN 0.171 nan 8.190 nan 0.000 0.461 22 R N -0.060 120.412 120.500 -0.048 0.000 2.092 22 R HA 0.001 4.340 4.340 -0.001 0.000 0.231 22 R C 2.443 178.726 176.300 -0.029 0.000 1.119 22 R CA 1.427 57.510 56.100 -0.030 0.000 0.970 22 R CB -0.585 29.704 30.300 -0.019 0.000 0.864 22 R HN 0.651 nan 8.270 nan 0.000 0.440 23 A N 0.953 123.753 122.820 -0.034 0.000 1.930 23 A HA -0.079 4.240 4.320 -0.001 0.000 0.217 23 A C 2.136 179.699 177.584 -0.035 0.000 1.175 23 A CA 0.915 52.935 52.037 -0.029 0.000 0.627 23 A CB -0.365 18.617 19.000 -0.029 0.000 0.815 23 A HN 0.168 nan 8.150 nan 0.000 0.443 24 L N -1.241 119.950 121.223 -0.052 0.000 2.093 24 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 24 L C 2.798 179.630 176.870 -0.063 0.000 1.085 24 L CA 1.214 56.016 54.840 -0.063 0.000 0.755 24 L CB -0.449 41.558 42.059 -0.086 0.000 0.904 24 L HN 0.326 nan 8.230 nan 0.000 0.435 25 R N 0.052 120.522 120.500 -0.050 0.000 2.092 25 R HA -0.091 4.248 4.340 -0.001 0.000 0.231 25 R C 2.364 178.649 176.300 -0.025 0.000 1.119 25 R CA 1.193 57.270 56.100 -0.040 0.000 0.970 25 R CB -0.377 29.908 30.300 -0.025 0.000 0.864 25 R HN 0.327 nan 8.270 nan 0.000 0.440 26 A N 0.465 123.275 122.820 -0.017 0.000 2.121 26 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 26 A C 1.950 179.539 177.584 0.007 0.000 1.154 26 A CA 1.115 53.151 52.037 -0.002 0.000 0.679 26 A CB -0.158 18.841 19.000 -0.001 0.000 0.795 26 A HN 0.061 nan 8.150 nan 0.000 0.458 27 R N -0.786 119.711 120.500 -0.004 0.000 2.173 27 R HA 0.262 4.601 4.340 -0.001 0.000 0.208 27 R C 0.716 177.042 176.300 0.043 0.000 1.035 27 R CA 1.135 57.247 56.100 0.021 0.000 1.004 27 R CB -0.094 30.206 30.300 0.001 0.000 0.917 27 R HN 0.331 nan 8.270 nan 0.000 0.462 28 A N 0.539 123.328 122.820 -0.052 0.000 3.204 28 A HA 0.369 4.688 4.320 -0.001 0.000 0.327 28 A C -2.060 175.526 177.584 0.003 0.000 0.998 28 A CA -1.174 50.820 52.037 -0.072 0.000 0.891 28 A CB 0.606 19.344 19.000 -0.438 0.000 1.061 28 A HN 0.020 nan 8.150 nan 0.000 0.478 29 P HA -0.162 nan 4.420 nan 0.000 0.218 29 P C 0.835 178.161 177.300 0.043 0.000 1.148 29 P CA 1.144 64.266 63.100 0.036 0.000 0.822 29 P CB 0.273 31.996 31.700 0.038 0.000 0.784 30 R N -0.106 120.432 120.500 0.063 0.000 2.480 30 R HA 0.248 4.587 4.340 -0.001 0.000 0.277 30 R C 0.049 176.394 176.300 0.074 0.000 1.008 30 R CA 0.033 56.170 56.100 0.063 0.000 1.090 30 R CB -0.229 30.107 30.300 0.060 0.000 1.234 30 R HN 0.220 nan 8.270 nan 0.000 0.549 31 S N -1.565 114.172 115.700 0.062 0.000 2.595 31 S HA 0.783 5.252 4.470 -0.001 0.000 0.281 31 S C -0.646 173.976 174.600 0.037 0.000 1.117 31 S CA -1.079 57.158 58.200 0.062 0.000 0.873 31 S CB 1.987 65.228 63.200 0.068 0.000 1.108 31 S HN 0.138 nan 8.310 nan 0.000 0.477 32 A N 1.572 124.419 122.820 0.045 0.000 2.304 32 A HA 0.699 5.019 4.320 -0.001 0.000 0.271 32 A C -0.573 177.016 177.584 0.009 0.000 1.091 32 A CA -0.539 51.534 52.037 0.060 0.000 0.812 32 A CB 0.256 19.335 19.000 0.132 0.000 1.056 32 A HN 0.771 nan 8.150 nan 0.000 0.489 33 L N 2.758 124.000 121.223 0.031 0.000 2.313 33 L HA 0.560 4.900 4.340 -0.001 0.000 0.283 33 L C -0.563 176.325 176.870 0.030 0.000 1.013 33 L CA -0.328 54.507 54.840 -0.008 0.000 0.816 33 L CB 1.125 43.170 42.059 -0.024 0.000 1.236 33 L HN 0.944 nan 8.230 nan 0.000 0.419 34 M N 5.362 124.950 119.600 -0.019 0.000 2.101 34 M HA 0.552 5.031 4.480 -0.001 0.000 0.340 34 M C -0.582 175.726 176.300 0.014 0.000 1.057 34 M CA -0.459 54.861 55.300 0.033 0.000 0.984 34 M CB 1.323 33.886 32.600 -0.062 0.000 1.560 34 M HN 0.760 nan 8.290 nan 0.000 0.435 35 A N 5.354 128.187 122.820 0.022 0.000 2.309 35 A HA 0.540 4.859 4.320 -0.001 0.000 0.290 35 A C -0.554 177.048 177.584 0.030 0.000 1.206 35 A CA -0.600 51.418 52.037 -0.031 0.000 0.850 35 A CB 0.191 19.152 19.000 -0.066 0.000 1.118 35 A HN 0.706 nan 8.150 nan 0.000 0.523 36 V N 4.398 124.338 119.914 0.043 0.000 2.368 36 V HA 0.246 4.365 4.120 -0.001 0.000 0.266 36 V C 0.873 177.068 176.094 0.168 0.000 1.045 36 V CA 0.145 62.544 62.300 0.165 0.000 0.899 36 V CB 0.914 32.908 31.823 0.285 0.000 1.006 36 V HN 0.958 nan 8.190 nan 0.000 0.470 37 V N 2.327 122.347 119.914 0.175 0.000 3.006 37 V HA 0.303 4.422 4.120 -0.001 0.000 0.357 37 V C 0.753 176.970 176.094 0.205 0.000 1.377 37 V CA -0.607 61.820 62.300 0.212 0.000 1.198 37 V CB -0.509 31.390 31.823 0.126 0.000 1.216 37 V HN 0.838 nan 8.190 nan 0.000 0.520 38 K N -0.325 120.218 120.400 0.240 0.000 2.187 38 K HA 0.321 4.641 4.320 -0.001 0.000 0.247 38 K C 0.479 177.178 176.600 0.165 0.000 1.019 38 K CA 0.493 56.859 56.287 0.131 0.000 0.893 38 K CB 0.365 32.913 32.500 0.081 0.000 1.025 38 K HN 0.233 nan 8.250 nan 0.000 0.500 39 S N 0.739 116.466 115.700 0.044 0.000 3.706 39 S HA -0.193 4.276 4.470 -0.001 0.000 0.363 39 S C -0.160 174.470 174.600 0.049 0.000 0.999 39 S CA 1.153 59.359 58.200 0.009 0.000 1.143 39 S CB -1.812 61.348 63.200 -0.066 0.000 0.902 39 S HN 1.003 nan 8.310 nan 0.000 0.476 40 N N -0.319 118.414 118.700 0.055 0.000 2.714 40 N HA -0.228 4.511 4.740 -0.001 0.000 0.253 40 N C 0.346 175.919 175.510 0.105 0.000 1.024 40 N CA 1.815 54.905 53.050 0.067 0.000 0.726 40 N CB -1.569 36.944 38.487 0.042 0.000 0.908 40 N HN 1.938 nan 8.380 nan 0.000 0.542 41 A N 0.433 123.347 122.820 0.156 0.000 2.687 41 A HA -0.221 4.099 4.320 -0.001 0.000 0.299 41 A C 0.633 178.224 177.584 0.012 0.000 1.497 41 A CA 1.257 53.384 52.037 0.150 0.000 0.751 41 A CB -2.361 16.723 19.000 0.141 0.000 1.048 41 A HN 1.345 nan 8.150 nan 0.000 0.464 42 Y N -2.947 117.280 120.300 -0.122 0.000 3.305 42 Y HA -0.130 4.420 4.550 0.000 0.000 0.212 42 Y C 1.951 177.823 175.900 -0.047 0.000 1.248 42 Y CA 1.887 59.925 58.100 -0.105 0.000 1.359 42 Y CB -1.814 36.496 38.460 -0.251 0.000 1.407 42 Y HN 2.380 nan 8.280 nan 0.000 0.572 43 G N -1.714 107.121 108.800 0.059 0.000 2.179 43 G HA2 -0.411 3.549 3.960 -0.001 0.000 0.260 43 G HA3 -0.411 3.549 3.960 -0.001 0.000 0.260 43 G C 0.615 175.425 174.900 -0.149 0.000 0.977 43 G CA 0.693 45.757 45.100 -0.060 0.000 0.641 43 G HN 0.640 nan 8.290 nan 0.000 0.533 44 H N -0.048 118.957 119.070 -0.109 0.000 2.562 44 H HA 0.457 5.013 4.556 -0.001 0.000 0.267 44 H C 1.597 177.005 175.328 0.134 0.000 0.959 44 H CA 1.471 57.497 56.048 -0.037 0.000 1.204 44 H CB 0.763 30.457 29.762 -0.113 0.000 1.430 44 H HN 1.449 nan 8.280 nan 0.000 0.545 45 G N 0.081 109.013 108.800 0.220 0.000 3.199 45 G HA2 0.107 4.066 3.960 -0.001 0.000 0.680 45 G HA3 0.107 4.066 3.960 -0.001 0.000 0.680 45 G C 0.773 175.765 174.900 0.154 0.000 1.197 45 G CA -0.148 45.097 45.100 0.241 0.000 1.143 45 G HN 0.444 nan 8.290 nan 0.000 0.492 46 A N 1.815 124.698 122.820 0.105 0.000 1.859 46 A HA 0.081 4.400 4.320 -0.001 0.000 0.217 46 A C 2.656 180.255 177.584 0.024 0.000 1.198 46 A CA 3.042 55.122 52.037 0.071 0.000 0.629 46 A CB -0.509 18.521 19.000 0.051 0.000 0.830 46 A HN 1.521 nan 8.150 nan 0.000 0.446 47 V N 0.541 120.458 119.914 0.005 0.000 2.261 47 V HA -0.153 3.966 4.120 -0.001 0.000 0.246 47 V C -0.120 175.903 176.094 -0.119 0.000 1.047 47 V CA 2.477 64.747 62.300 -0.049 0.000 1.015 47 V CB -1.606 30.207 31.823 -0.017 0.000 0.642 47 V HN 0.398 nan 8.190 nan 0.000 0.446 48 P HA -0.107 nan 4.420 nan 0.000 0.216 48 P C 1.762 178.943 177.300 -0.198 0.000 1.150 48 P CA 1.550 64.494 63.100 -0.260 0.000 0.837 48 P CB -0.161 31.189 31.700 -0.583 0.000 0.786 49 C N -0.971 118.289 119.300 -0.067 0.000 2.475 49 C HA 0.131 4.591 4.460 -0.001 0.000 0.279 49 C C 2.907 177.858 174.990 -0.064 0.000 1.322 49 C CA 1.002 60.023 59.018 0.004 0.000 1.734 49 C CB -1.661 26.186 27.740 0.178 0.000 2.005 49 C HN 0.218 nan 8.230 nan 0.000 0.495 50 A N 0.547 123.328 122.820 -0.065 0.000 1.902 50 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 50 A C 2.221 179.713 177.584 -0.154 0.000 1.181 50 A CA 1.439 53.429 52.037 -0.079 0.000 0.623 50 A CB -0.521 18.445 19.000 -0.057 0.000 0.818 50 A HN 0.634 nan 8.150 nan 0.000 0.443 51 R N -0.719 119.633 120.500 -0.246 0.000 2.073 51 R HA -0.081 4.258 4.340 -0.001 0.000 0.234 51 R C 2.511 178.461 176.300 -0.584 0.000 1.134 51 R CA 1.258 57.123 56.100 -0.391 0.000 0.952 51 R CB -0.411 29.585 30.300 -0.507 0.000 0.850 51 R HN 0.521 nan 8.270 nan 0.000 0.433 52 A N 0.830 123.276 122.820 -0.624 0.000 1.877 52 A HA -0.122 4.198 4.320 -0.001 0.000 0.216 52 A C 2.314 179.796 177.584 -0.170 0.000 1.186 52 A CA 1.738 53.525 52.037 -0.417 0.000 0.620 52 A CB -0.702 18.177 19.000 -0.201 0.000 0.822 52 A HN 0.428 nan 8.150 nan 0.000 0.443 53 A N -1.180 121.552 122.820 -0.146 0.000 1.930 53 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 53 A C 2.177 179.715 177.584 -0.076 0.000 1.175 53 A CA 1.661 53.634 52.037 -0.106 0.000 0.627 53 A CB -0.543 18.387 19.000 -0.116 0.000 0.815 53 A HN 0.640 nan 8.150 nan 0.000 0.443 54 Q N -0.898 118.851 119.800 -0.085 0.000 2.030 54 Q HA -0.215 4.124 4.340 -0.001 0.000 0.204 54 Q C 2.108 178.093 176.000 -0.025 0.000 0.986 54 Q CA 1.639 57.409 55.803 -0.054 0.000 0.843 54 Q CB -0.180 28.520 28.738 -0.064 0.000 0.904 54 Q HN 0.700 nan 8.270 nan 0.000 0.420 55 E N -0.355 119.838 120.200 -0.012 0.000 2.338 55 E HA -0.128 4.221 4.350 -0.001 0.000 0.197 55 E C 1.211 177.831 176.600 0.033 0.000 1.007 55 E CA 0.865 57.294 56.400 0.048 0.000 0.849 55 E CB 0.120 29.915 29.700 0.157 0.000 0.774 55 E HN 0.366 nan 8.360 nan 0.000 0.506 56 A N -0.535 122.288 122.820 0.005 0.000 2.218 56 A HA 0.278 4.597 4.320 -0.001 0.000 0.209 56 A C 1.616 179.195 177.584 -0.008 0.000 1.168 56 A CA 1.059 53.096 52.037 -0.001 0.000 0.804 56 A CB 0.196 19.184 19.000 -0.020 0.000 0.834 56 A HN 0.349 nan 8.150 nan 0.000 0.482 57 G N -2.423 106.372 108.800 -0.008 0.000 2.273 57 G HA2 0.229 4.188 3.960 -0.001 0.000 0.162 57 G HA3 0.229 4.188 3.960 -0.001 0.000 0.162 57 G C 0.304 175.204 174.900 -0.001 0.000 1.006 57 G CA -0.061 45.036 45.100 -0.004 0.000 0.704 57 G HN 1.321 nan 8.290 nan 0.000 0.487 58 A N 0.702 123.516 122.820 -0.010 0.000 2.451 58 A HA 0.754 5.073 4.320 -0.001 0.000 0.266 58 A C 1.478 179.079 177.584 0.028 0.000 1.119 58 A CA 1.249 53.290 52.037 0.007 0.000 0.786 58 A CB 0.734 19.726 19.000 -0.013 0.000 1.061 58 A HN 1.615 nan 8.150 nan 0.000 0.503 59 A N 2.866 125.734 122.820 0.080 0.000 2.132 59 A HA 0.311 4.630 4.320 -0.001 0.000 0.213 59 A C 0.245 177.850 177.584 0.034 0.000 1.154 59 A CA 0.369 52.448 52.037 0.070 0.000 0.753 59 A CB 0.007 19.093 19.000 0.143 0.000 0.826 59 A HN 0.803 nan 8.150 nan 0.000 0.469 60 W N -2.071 119.200 121.300 -0.048 0.000 2.882 60 W HA 0.653 5.312 4.660 -0.002 0.000 0.345 60 W C -1.030 175.460 176.519 -0.049 0.000 1.125 60 W CA -0.729 56.584 57.345 -0.052 0.000 1.167 60 W CB 1.455 30.869 29.460 -0.077 0.000 1.431 60 W HN -0.127 nan 8.180 nan 0.000 0.543 61 L N 1.764 123.117 121.223 0.217 0.000 2.386 61 L HA 0.829 5.169 4.340 -0.001 0.000 0.271 61 L C 0.003 176.962 176.870 0.148 0.000 0.993 61 L CA -0.700 54.211 54.840 0.118 0.000 0.819 61 L CB 1.506 43.583 42.059 0.031 0.000 1.294 61 L HN 0.511 nan 8.230 nan 0.000 0.414 62 G N 0.577 109.449 108.800 0.120 0.000 2.566 62 G HA2 0.698 4.658 3.960 -0.001 0.000 0.311 62 G HA3 0.698 4.658 3.960 -0.001 0.000 0.311 62 G C -0.836 174.006 174.900 -0.096 0.000 1.322 62 G CA -0.250 44.907 45.100 0.095 0.000 0.969 62 G HN 0.648 nan 8.290 nan 0.000 0.490 63 T N -1.452 112.840 114.554 -0.438 0.000 2.883 63 T HA 0.677 5.027 4.350 -0.001 0.000 0.296 63 T C 1.036 175.134 174.700 -1.002 0.000 1.117 63 T CA 0.267 62.086 62.100 -0.470 0.000 1.006 63 T CB 1.854 70.549 68.868 -0.287 0.000 1.191 63 T HN 0.958 nan 8.240 nan 0.000 0.508 64 A N 1.409 123.808 122.820 -0.702 0.000 1.878 64 A HA 0.361 4.680 4.320 -0.001 0.000 0.213 64 A C 1.513 178.719 177.584 -0.630 0.000 1.192 64 A CA 1.314 52.874 52.037 -0.796 0.000 0.619 64 A CB -1.017 17.819 19.000 -0.273 0.000 0.837 64 A HN 1.289 nan 8.150 nan 0.000 0.446 65 T N -4.260 110.019 114.554 -0.459 0.000 2.945 65 T HA 0.523 4.872 4.350 -0.001 0.000 0.286 65 T C -2.170 172.212 174.700 -0.530 0.000 1.025 65 T CA -1.748 60.060 62.100 -0.486 0.000 1.039 65 T CB 1.718 70.381 68.868 -0.342 0.000 1.068 65 T HN -0.058 nan 8.240 nan 0.000 0.497 66 P HA -0.030 nan 4.420 nan 0.000 0.216 66 P C 1.185 178.278 177.300 -0.345 0.000 1.153 66 P CA 0.992 63.703 63.100 -0.648 0.000 0.848 66 P CB 0.064 31.147 31.700 -1.029 0.000 0.787 67 E N -0.047 119.969 120.200 -0.306 0.000 2.118 67 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 67 E C 1.968 178.479 176.600 -0.148 0.000 0.992 67 E CA 1.257 57.545 56.400 -0.186 0.000 0.804 67 E CB -0.729 28.875 29.700 -0.160 0.000 0.741 67 E HN 0.425 nan 8.360 nan 0.000 0.458 68 E N -0.200 119.895 120.200 -0.176 0.000 2.072 68 E HA -0.094 4.255 4.350 -0.001 0.000 0.191 68 E C 1.996 178.525 176.600 -0.119 0.000 0.985 68 E CA 0.877 57.197 56.400 -0.134 0.000 0.801 68 E CB -0.099 29.508 29.700 -0.155 0.000 0.750 68 E HN 0.283 nan 8.360 nan 0.000 0.452 69 A N 0.725 123.455 122.820 -0.151 0.000 1.930 69 A HA -0.106 4.214 4.320 -0.001 0.000 0.217 69 A C 2.062 179.605 177.584 -0.068 0.000 1.175 69 A CA 0.889 52.862 52.037 -0.106 0.000 0.627 69 A CB -0.396 18.540 19.000 -0.107 0.000 0.815 69 A HN 0.141 nan 8.150 nan 0.000 0.443 70 L N -0.717 120.462 121.223 -0.074 0.000 2.395 70 L HA -0.063 4.276 4.340 -0.001 0.000 0.218 70 L C 2.464 179.315 176.870 -0.032 0.000 1.130 70 L CA 1.081 55.895 54.840 -0.043 0.000 0.826 70 L CB -0.181 41.851 42.059 -0.045 0.000 0.941 70 L HN 0.550 nan 8.230 nan 0.000 0.451 71 E N 0.656 120.832 120.200 -0.039 0.000 2.158 71 E HA -0.150 4.199 4.350 -0.001 0.000 0.191 71 E C 2.244 178.837 176.600 -0.011 0.000 0.982 71 E CA 0.705 57.094 56.400 -0.018 0.000 0.823 71 E CB 0.171 29.859 29.700 -0.019 0.000 0.766 71 E HN 0.503 nan 8.360 nan 0.000 0.468 72 L N 0.458 121.664 121.223 -0.028 0.000 2.027 72 L HA -0.141 4.199 4.340 -0.001 0.000 0.206 72 L C 2.874 179.724 176.870 -0.032 0.000 1.074 72 L CA 0.937 55.757 54.840 -0.034 0.000 0.745 72 L CB -0.518 41.516 42.059 -0.041 0.000 0.898 72 L HN 0.068 nan 8.230 nan 0.000 0.433 73 R N 0.359 120.843 120.500 -0.027 0.000 2.083 73 R HA -0.134 4.205 4.340 -0.001 0.000 0.237 73 R C 2.300 178.594 176.300 -0.010 0.000 1.137 73 R CA 1.524 57.611 56.100 -0.021 0.000 0.951 73 R CB -0.748 29.544 30.300 -0.013 0.000 0.851 73 R HN 0.351 nan 8.270 nan 0.000 0.434 74 A N 1.066 123.886 122.820 -0.000 0.000 2.024 74 A HA -0.055 4.264 4.320 -0.001 0.000 0.220 74 A C 2.028 179.632 177.584 0.034 0.000 1.164 74 A CA 1.632 53.679 52.037 0.018 0.000 0.643 74 A CB -0.283 18.731 19.000 0.022 0.000 0.806 74 A HN 0.359 nan 8.150 nan 0.000 0.451 75 A N -1.719 121.109 122.820 0.013 0.000 2.302 75 A HA 0.439 4.758 4.320 -0.001 0.000 0.219 75 A C 1.653 179.187 177.584 -0.083 0.000 1.243 75 A CA 1.007 53.029 52.037 -0.026 0.000 0.856 75 A CB -1.022 17.929 19.000 -0.082 0.000 0.893 75 A HN 1.832 nan 8.150 nan 0.000 0.491 76 G N -0.795 107.985 108.800 -0.035 0.000 2.148 76 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.254 76 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.254 76 G C 0.082 174.956 174.900 -0.043 0.000 0.981 76 G CA 0.305 45.385 45.100 -0.033 0.000 0.670 76 G HN 0.456 nan 8.290 nan 0.000 0.528 77 I N 0.971 121.509 120.570 -0.053 0.000 2.416 77 I HA 0.361 4.530 4.170 -0.001 0.000 0.288 77 I C 0.850 176.936 176.117 -0.052 0.000 1.051 77 I CA 0.026 61.294 61.300 -0.054 0.000 1.375 77 I CB 1.135 39.096 38.000 -0.064 0.000 1.407 77 I HN 0.261 nan 8.210 nan 0.000 0.516 78 Q N 3.316 123.083 119.800 -0.054 0.000 2.207 78 Q HA 0.810 5.149 4.340 -0.001 0.000 0.237 78 Q C 0.184 176.130 176.000 -0.091 0.000 0.998 78 Q CA -0.028 55.737 55.803 -0.064 0.000 0.951 78 Q CB 1.771 30.476 28.738 -0.056 0.000 1.213 78 Q HN 0.860 nan 8.270 nan 0.000 0.499 79 G N 0.021 108.750 108.800 -0.119 0.000 2.631 79 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.504 79 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.504 79 G C -1.277 173.466 174.900 -0.261 0.000 1.306 79 G CA -1.028 43.962 45.100 -0.183 0.000 0.897 79 G HN 0.376 nan 8.290 nan 0.000 0.520 80 R N -0.390 119.837 120.500 -0.454 0.000 2.389 80 R HA 0.530 4.869 4.340 -0.001 0.000 0.295 80 R C 0.136 176.200 176.300 -0.394 0.000 1.075 80 R CA 0.099 55.774 56.100 -0.709 0.000 1.005 80 R CB 0.254 29.493 30.300 -1.768 0.000 0.987 80 R HN 0.483 nan 8.270 nan 0.000 0.452 81 I N 3.148 123.610 120.570 -0.181 0.000 2.619 81 I HA 0.401 4.570 4.170 -0.001 0.000 0.292 81 I C -0.288 175.926 176.117 0.162 0.000 1.100 81 I CA -0.642 60.676 61.300 0.029 0.000 1.043 81 I CB 2.354 40.347 38.000 -0.012 0.000 1.239 81 I HN 0.369 nan 8.210 nan 0.000 0.420 82 M N 6.623 126.358 119.600 0.225 0.000 2.457 82 M HA 0.693 5.172 4.480 -0.001 0.000 0.300 82 M C -1.548 174.779 176.300 0.045 0.000 1.141 82 M CA -0.338 55.104 55.300 0.237 0.000 0.901 82 M CB 1.914 34.709 32.600 0.325 0.000 1.687 82 M HN 0.875 nan 8.290 nan 0.000 0.449 83 C N 1.673 121.016 119.300 0.071 0.000 2.626 83 C HA 0.781 5.240 4.460 -0.001 0.000 0.310 83 C C -0.325 174.776 174.990 0.185 0.000 1.191 83 C CA -0.659 58.227 59.018 -0.220 0.000 1.517 83 C CB 0.197 27.781 27.740 -0.261 0.000 2.102 83 C HN 1.209 nan 8.230 nan 0.000 0.479 84 W N 0.759 122.195 121.300 0.228 0.000 2.741 84 W HA 0.500 5.159 4.660 -0.002 0.000 0.317 84 W C 0.011 176.759 176.519 0.383 0.000 1.029 84 W CA -0.483 57.107 57.345 0.409 0.000 1.511 84 W CB -0.257 29.494 29.460 0.484 0.000 1.025 84 W HN 0.441 nan 8.180 nan 0.000 0.554 85 L N 2.343 123.659 121.223 0.155 0.000 2.328 85 L HA 0.403 4.743 4.340 -0.001 0.000 0.280 85 L C -1.276 175.575 176.870 -0.033 0.000 1.111 85 L CA -0.760 54.174 54.840 0.156 0.000 0.909 85 L CB -0.626 41.455 42.059 0.037 0.000 1.277 85 L HN 0.034 nan 8.230 nan 0.000 0.433 86 W N 3.031 124.440 121.300 0.182 0.000 2.639 86 W HA 0.738 5.398 4.660 -0.000 0.000 0.347 86 W C 0.143 176.926 176.519 0.441 0.000 1.067 86 W CA -0.344 57.102 57.345 0.168 0.000 1.218 86 W CB 2.056 31.563 29.460 0.077 0.000 1.393 86 W HN 0.505 nan 8.180 nan 0.000 0.557 87 T N -0.573 114.354 114.554 0.620 0.000 2.906 87 T HA 0.570 4.919 4.350 -0.001 0.000 0.295 87 T C -2.833 172.107 174.700 0.400 0.000 1.075 87 T CA -2.710 59.622 62.100 0.386 0.000 1.005 87 T CB 1.502 70.439 68.868 0.115 0.000 1.136 87 T HN -0.044 nan 8.240 nan 0.000 0.498 88 P HA 0.296 nan 4.420 nan 0.000 0.264 88 P C 1.137 178.603 177.300 0.276 0.000 1.183 88 P CA 1.356 64.532 63.100 0.127 0.000 0.763 88 P CB 0.006 31.591 31.700 -0.191 0.000 0.807 89 G N 1.604 110.666 108.800 0.437 0.000 2.159 89 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.256 89 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.256 89 G C 0.660 175.732 174.900 0.287 0.000 0.977 89 G CA -0.183 45.109 45.100 0.321 0.000 0.652 89 G HN 0.894 nan 8.290 nan 0.000 0.531 90 G N 0.202 109.193 108.800 0.318 0.000 2.716 90 G HA2 0.472 4.432 3.960 -0.001 0.000 0.251 90 G HA3 0.472 4.432 3.960 -0.001 0.000 0.251 90 G C -1.096 173.876 174.900 0.120 0.000 1.224 90 G CA -0.049 45.112 45.100 0.101 0.000 0.891 90 G HN 0.272 nan 8.290 nan 0.000 0.561 91 P HA 0.094 nan 4.420 nan 0.000 0.218 91 P C 0.174 177.656 177.300 0.302 0.000 1.793 91 P CA -0.436 62.758 63.100 0.157 0.000 0.941 91 P CB -0.255 31.476 31.700 0.051 0.000 1.919 92 W N 1.186 122.709 121.300 0.372 0.000 2.315 92 W HA -0.147 4.512 4.660 -0.001 0.000 0.323 92 W C 2.750 179.330 176.519 0.102 0.000 1.233 92 W CA 1.009 58.429 57.345 0.125 0.000 1.267 92 W CB -0.899 28.538 29.460 -0.038 0.000 1.160 92 W HN 0.139 nan 8.180 nan 0.000 0.474 93 R N 0.921 121.622 120.500 0.335 0.000 2.096 93 R HA -0.249 4.090 4.340 -0.001 0.000 0.240 93 R C 1.751 178.148 176.300 0.162 0.000 1.139 93 R CA 2.389 58.609 56.100 0.200 0.000 0.952 93 R CB -0.390 30.003 30.300 0.155 0.000 0.854 93 R HN 0.165 nan 8.270 nan 0.000 0.436 94 E N 0.141 120.436 120.200 0.160 0.000 2.110 94 E HA -0.113 4.236 4.350 -0.001 0.000 0.193 94 E C 1.865 178.541 176.600 0.128 0.000 0.988 94 E CA 1.450 57.920 56.400 0.118 0.000 0.804 94 E CB -0.240 29.515 29.700 0.092 0.000 0.745 94 E HN 0.489 nan 8.360 nan 0.000 0.458 95 A N 0.542 123.478 122.820 0.194 0.000 1.898 95 A HA -0.145 4.174 4.320 -0.001 0.000 0.216 95 A C 2.235 179.917 177.584 0.164 0.000 1.181 95 A CA 1.190 53.354 52.037 0.211 0.000 0.620 95 A CB -0.644 18.595 19.000 0.398 0.000 0.819 95 A HN 0.180 nan 8.150 nan 0.000 0.442 96 I N -0.450 120.219 120.570 0.165 0.000 2.226 96 I HA -0.262 3.907 4.170 -0.001 0.000 0.245 96 I C 2.436 178.602 176.117 0.082 0.000 1.100 96 I CA 1.739 63.109 61.300 0.117 0.000 1.374 96 I CB -0.260 37.806 38.000 0.109 0.000 1.057 96 I HN 0.379 nan 8.210 nan 0.000 0.413 97 E N -0.230 120.018 120.200 0.080 0.000 2.204 97 E HA -0.144 4.205 4.350 -0.001 0.000 0.194 97 E C 1.349 177.975 176.600 0.043 0.000 0.989 97 E CA 1.470 57.903 56.400 0.055 0.000 0.824 97 E CB 0.071 29.803 29.700 0.054 0.000 0.756 97 E HN 0.502 nan 8.360 nan 0.000 0.477 98 T N -0.400 114.185 114.554 0.050 0.000 3.235 98 T HA 0.064 4.414 4.350 -0.001 0.000 0.251 98 T C -0.124 174.590 174.700 0.023 0.000 1.060 98 T CA 0.102 62.221 62.100 0.032 0.000 0.949 98 T CB -0.038 68.849 68.868 0.031 0.000 1.020 98 T HN 0.008 nan 8.240 nan 0.000 0.564 99 D N 0.804 121.222 120.400 0.030 0.000 2.737 99 D HA -0.140 4.499 4.640 -0.001 0.000 0.238 99 D C -0.775 175.537 176.300 0.020 0.000 1.157 99 D CA 0.407 54.418 54.000 0.018 0.000 0.694 99 D CB -1.584 39.209 40.800 -0.012 0.000 1.021 99 D HN 0.598 nan 8.370 nan 0.000 0.420 100 I N 0.733 121.342 120.570 0.065 0.000 2.404 100 I HA 0.260 4.429 4.170 -0.001 0.000 0.293 100 I C 0.365 176.570 176.117 0.147 0.000 0.992 100 I CA -0.960 60.395 61.300 0.091 0.000 1.149 100 I CB 1.530 39.597 38.000 0.112 0.000 1.315 100 I HN -0.114 nan 8.210 nan 0.000 0.446 101 D N 5.403 125.910 120.400 0.177 0.000 2.348 101 D HA 0.283 4.922 4.640 -0.001 0.000 0.253 101 D C -0.317 176.149 176.300 0.276 0.000 1.161 101 D CA 0.184 54.327 54.000 0.237 0.000 0.876 101 D CB 1.145 42.157 40.800 0.355 0.000 1.160 101 D HN 0.260 nan 8.370 nan 0.000 0.459 102 V N 0.187 120.255 119.914 0.255 0.000 2.769 102 V HA 0.691 4.811 4.120 -0.001 0.000 0.312 102 V C 0.011 176.279 176.094 0.289 0.000 1.058 102 V CA -0.775 61.707 62.300 0.303 0.000 0.952 102 V CB 2.047 33.927 31.823 0.096 0.000 1.019 102 V HN 0.369 nan 8.190 nan 0.000 0.445 103 S N 2.009 117.953 115.700 0.407 0.000 2.525 103 S HA 0.767 5.236 4.470 -0.001 0.000 0.290 103 S C -0.728 174.048 174.600 0.294 0.000 1.152 103 S CA -0.464 58.016 58.200 0.466 0.000 1.072 103 S CB 1.263 64.927 63.200 0.774 0.000 1.027 103 S HN 0.924 nan 8.310 nan 0.000 0.500 104 V N 4.438 124.476 119.914 0.207 0.000 2.483 104 V HA 0.424 4.544 4.120 -0.001 0.000 0.297 104 V C 0.156 176.284 176.094 0.056 0.000 1.027 104 V CA -0.442 61.872 62.300 0.023 0.000 0.855 104 V CB 1.791 33.555 31.823 -0.098 0.000 0.995 104 V HN 0.982 nan 8.190 nan 0.000 0.424 105 S N 2.405 118.114 115.700 0.015 0.000 2.578 105 S HA 0.429 4.898 4.470 -0.001 0.000 0.228 105 S C 0.578 175.197 174.600 0.031 0.000 1.022 105 S CA 0.352 58.587 58.200 0.057 0.000 0.967 105 S CB 1.156 64.414 63.200 0.097 0.000 0.914 105 S HN 0.932 nan 8.310 nan 0.000 0.515 106 G N 0.197 108.942 108.800 -0.093 0.000 2.949 106 G HA2 0.519 4.478 3.960 -0.001 0.000 0.285 106 G HA3 0.519 4.478 3.960 -0.001 0.000 0.285 106 G C 0.264 175.064 174.900 -0.167 0.000 1.395 106 G CA -0.465 44.600 45.100 -0.058 0.000 0.901 106 G HN -0.057 nan 8.290 nan 0.000 0.519 107 M N 0.366 119.942 119.600 -0.040 0.000 2.288 107 M HA 0.083 4.563 4.480 -0.001 0.000 0.266 107 M C 2.284 178.549 176.300 -0.058 0.000 1.072 107 M CA 0.778 56.045 55.300 -0.054 0.000 1.132 107 M CB -0.777 31.832 32.600 0.015 0.000 1.386 107 M HN 0.874 nan 8.290 nan 0.000 0.432 108 W N 1.174 122.467 121.300 -0.011 0.000 2.358 108 W HA -0.104 4.557 4.660 0.002 0.000 0.303 108 W C 1.814 178.289 176.519 -0.075 0.000 1.208 108 W CA 1.293 58.628 57.345 -0.017 0.000 1.274 108 W CB -1.341 28.142 29.460 0.038 0.000 1.138 108 W HN 0.161 nan 8.180 nan 0.000 0.515 109 A N 2.348 124.469 122.820 -1.166 0.000 1.845 109 A HA -0.181 4.139 4.320 -0.001 0.000 0.215 109 A C 2.351 179.434 177.584 -0.834 0.000 1.195 109 A CA 1.981 53.254 52.037 -1.274 0.000 0.616 109 A CB -1.363 16.890 19.000 -1.244 0.000 0.832 109 A HN 0.390 nan 8.150 nan 0.000 0.443 110 L N -0.455 120.435 121.223 -0.556 0.000 2.051 110 L HA -0.283 4.056 4.340 -0.001 0.000 0.214 110 L C 1.807 178.455 176.870 -0.370 0.000 1.076 110 L CA 2.420 57.019 54.840 -0.401 0.000 0.758 110 L CB -0.559 41.347 42.059 -0.255 0.000 0.890 110 L HN 0.399 nan 8.230 nan 0.000 0.433 111 D N -0.688 119.536 120.400 -0.294 0.000 2.224 111 D HA -0.164 4.475 4.640 -0.001 0.000 0.205 111 D C 2.069 178.202 176.300 -0.278 0.000 0.965 111 D CA 0.866 54.737 54.000 -0.214 0.000 0.852 111 D CB 0.127 40.865 40.800 -0.103 0.000 0.947 111 D HN 0.441 nan 8.370 nan 0.000 0.494 112 E N 0.029 119.969 120.200 -0.433 0.000 2.112 112 E HA -0.093 4.256 4.350 -0.001 0.000 0.190 112 E C 2.092 178.220 176.600 -0.786 0.000 0.979 112 E CA 0.274 56.340 56.400 -0.557 0.000 0.814 112 E CB 0.264 29.559 29.700 -0.674 0.000 0.762 112 E HN 0.053 nan 8.360 nan 0.000 0.460 113 V N 0.833 120.141 119.914 -1.011 0.000 2.548 113 V HA -0.185 3.934 4.120 -0.001 0.000 0.249 113 V C 1.974 177.860 176.094 -0.347 0.000 1.055 113 V CA 1.433 63.291 62.300 -0.736 0.000 1.065 113 V CB -0.251 31.144 31.823 -0.713 0.000 0.681 113 V HN 0.181 nan 8.190 nan 0.000 0.462 114 R N 0.497 120.816 120.500 -0.302 0.000 2.073 114 R HA -0.035 4.304 4.340 -0.001 0.000 0.234 114 R C 2.509 178.731 176.300 -0.130 0.000 1.134 114 R CA 1.545 57.539 56.100 -0.177 0.000 0.952 114 R CB -0.863 29.343 30.300 -0.156 0.000 0.850 114 R HN 0.621 nan 8.270 nan 0.000 0.433 115 A N 1.314 124.050 122.820 -0.141 0.000 1.933 115 A HA -0.084 4.235 4.320 -0.001 0.000 0.218 115 A C 2.374 179.925 177.584 -0.054 0.000 1.175 115 A CA 1.678 53.666 52.037 -0.082 0.000 0.628 115 A CB -0.485 18.472 19.000 -0.072 0.000 0.814 115 A HN 0.396 nan 8.150 nan 0.000 0.444 116 A N -0.141 122.634 122.820 -0.075 0.000 1.898 116 A HA 0.213 4.532 4.320 -0.001 0.000 0.216 116 A C 2.508 180.098 177.584 0.009 0.000 1.181 116 A CA 1.919 53.959 52.037 0.005 0.000 0.620 116 A CB -1.018 18.019 19.000 0.061 0.000 0.819 116 A HN 1.024 nan 8.150 nan 0.000 0.442 117 A N -0.391 122.412 122.820 -0.028 0.000 1.908 117 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 117 A C 2.239 179.818 177.584 -0.008 0.000 1.181 117 A CA 1.569 53.598 52.037 -0.014 0.000 0.627 117 A CB -0.479 18.498 19.000 -0.039 0.000 0.818 117 A HN 0.379 nan 8.150 nan 0.000 0.445 118 R N -0.470 120.018 120.500 -0.020 0.000 2.081 118 R HA -0.089 4.250 4.340 -0.001 0.000 0.235 118 R C 2.379 178.680 176.300 0.001 0.000 1.131 118 R CA 1.472 57.564 56.100 -0.012 0.000 0.960 118 R CB -1.138 29.150 30.300 -0.020 0.000 0.856 118 R HN 0.535 nan 8.270 nan 0.000 0.436 119 A N 0.532 123.357 122.820 0.009 0.000 2.067 119 A HA 0.018 4.337 4.320 -0.001 0.000 0.219 119 A C 2.066 179.666 177.584 0.027 0.000 1.158 119 A CA 1.551 53.600 52.037 0.021 0.000 0.661 119 A CB -0.215 18.804 19.000 0.032 0.000 0.801 119 A HN 0.333 nan 8.150 nan 0.000 0.452 120 A N -1.683 121.154 122.820 0.028 0.000 2.238 120 A HA 0.433 4.752 4.320 -0.001 0.000 0.210 120 A C 1.703 179.300 177.584 0.022 0.000 1.179 120 A CA 1.034 53.091 52.037 0.032 0.000 0.827 120 A CB -0.814 18.212 19.000 0.043 0.000 0.856 120 A HN 1.786 nan 8.150 nan 0.000 0.488 121 G N -0.024 108.784 108.800 0.014 0.000 2.273 121 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.280 121 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.280 121 G C 0.129 175.034 174.900 0.009 0.000 1.047 121 G CA 0.716 45.821 45.100 0.009 0.000 0.869 121 G HN 0.712 nan 8.290 nan 0.000 0.502 122 R N -1.505 119.000 120.500 0.009 0.000 2.781 122 R HA 0.603 4.942 4.340 -0.001 0.000 0.269 122 R C -0.833 175.470 176.300 0.005 0.000 1.025 122 R CA -0.812 55.294 56.100 0.010 0.000 0.914 122 R CB 0.861 31.172 30.300 0.017 0.000 1.236 122 R HN 0.110 nan 8.270 nan 0.000 0.465 123 T N 1.161 115.719 114.554 0.006 0.000 2.771 123 T HA 0.429 4.778 4.350 -0.001 0.000 0.291 123 T C -0.052 174.655 174.700 0.011 0.000 0.954 123 T CA -0.481 61.620 62.100 0.002 0.000 1.045 123 T CB 1.364 70.234 68.868 0.003 0.000 0.917 123 T HN 0.607 nan 8.240 nan 0.000 0.484 124 A N 4.062 126.884 122.820 0.004 0.000 2.327 124 A HA 0.505 4.824 4.320 -0.001 0.000 0.283 124 A C 0.377 177.979 177.584 0.029 0.000 1.127 124 A CA -0.828 51.220 52.037 0.018 0.000 0.810 124 A CB 0.401 19.399 19.000 -0.003 0.000 1.066 124 A HN 0.811 nan 8.150 nan 0.000 0.492 125 R N 2.489 123.025 120.500 0.059 0.000 2.230 125 R HA 0.371 4.710 4.340 -0.001 0.000 0.337 125 R C -0.554 175.809 176.300 0.105 0.000 1.063 125 R CA -0.052 56.099 56.100 0.085 0.000 0.935 125 R CB 0.026 30.392 30.300 0.109 0.000 1.121 125 R HN 0.754 nan 8.270 nan 0.000 0.486 126 I N -1.030 119.589 120.570 0.083 0.000 2.460 126 I HA 0.347 4.516 4.170 -0.001 0.000 0.298 126 I C -0.519 175.680 176.117 0.137 0.000 0.989 126 I CA -0.972 60.383 61.300 0.093 0.000 1.173 126 I CB 1.851 39.862 38.000 0.018 0.000 1.338 126 I HN 0.327 nan 8.210 nan 0.000 0.456 127 Q N 4.781 124.703 119.800 0.202 0.000 2.331 127 Q HA 0.469 4.808 4.340 -0.001 0.000 0.267 127 Q C -1.052 175.178 176.000 0.384 0.000 1.006 127 Q CA -0.986 54.979 55.803 0.271 0.000 0.818 127 Q CB 2.681 31.552 28.738 0.223 0.000 1.276 127 Q HN 0.554 nan 8.270 nan 0.000 0.450 131 D N 2.822 123.008 120.400 -0.357 0.000 2.411 131 D HA 0.348 4.987 4.640 -0.001 0.000 0.225 131 D C 1.271 177.422 176.300 -0.248 0.000 1.156 131 D CA 0.705 54.548 54.000 -0.261 0.000 0.874 131 D CB 0.825 41.527 40.800 -0.163 0.000 1.034 131 D HN 0.614 nan 8.370 nan 0.000 0.502 132 T N 0.414 114.822 114.554 -0.243 0.000 3.163 132 T HA 0.417 4.766 4.350 -0.001 0.000 0.252 132 T C 1.187 175.821 174.700 -0.111 0.000 1.056 132 T CA 0.212 62.202 62.100 -0.183 0.000 0.947 132 T CB 0.330 69.096 68.868 -0.171 0.000 1.016 132 T HN 0.442 nan 8.240 nan 0.000 0.554 133 G N 0.428 109.166 108.800 -0.103 0.000 3.246 133 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.218 133 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.218 133 G C 0.455 175.323 174.900 -0.053 0.000 0.978 133 G CA 0.077 45.143 45.100 -0.056 0.000 0.825 133 G HN 0.312 nan 8.290 nan 0.000 0.546 134 L N 1.805 122.981 121.223 -0.078 0.000 2.056 134 L HA 0.423 4.762 4.340 -0.001 0.000 0.207 134 L C 2.229 179.072 176.870 -0.045 0.000 1.078 134 L CA 2.908 57.709 54.840 -0.065 0.000 0.749 134 L CB -0.671 41.341 42.059 -0.077 0.000 0.901 134 L HN 1.459 nan 8.230 nan 0.000 0.433 135 G N -1.164 107.605 108.800 -0.051 0.000 2.143 135 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.248 135 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.248 135 G C 1.022 175.913 174.900 -0.015 0.000 0.991 135 G CA 0.813 45.894 45.100 -0.031 0.000 0.689 135 G HN 0.468 nan 8.290 nan 0.000 0.522 136 R N -0.517 119.971 120.500 -0.020 0.000 1.741 136 R HA 0.325 4.664 4.340 -0.001 0.000 0.135 136 R C 1.353 177.660 176.300 0.012 0.000 2.034 136 R CA 0.270 56.373 56.100 0.006 0.000 1.732 136 R CB -0.130 30.178 30.300 0.015 0.000 1.201 136 R HN 0.270 nan 8.270 nan 0.000 0.485 137 N N -0.680 118.018 118.700 -0.002 0.000 2.514 137 N HA 0.288 5.027 4.740 -0.001 0.000 0.299 137 N C -0.778 174.692 175.510 -0.067 0.000 1.292 137 N CA 0.847 53.905 53.050 0.014 0.000 0.963 137 N CB 0.812 39.328 38.487 0.048 0.000 1.124 137 N HN 0.664 nan 8.380 nan 0.000 0.580 138 G N -0.618 108.141 108.800 -0.069 0.000 2.733 138 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.686 138 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.686 138 G C -0.293 174.579 174.900 -0.047 0.000 1.373 138 G CA -0.369 44.650 45.100 -0.134 0.000 0.838 138 G HN 0.727 nan 8.290 nan 0.000 0.588 139 C N 2.608 121.899 119.300 -0.015 0.000 2.499 139 C HA 0.551 5.010 4.460 -0.001 0.000 0.386 139 C C 0.960 175.939 174.990 -0.017 0.000 1.293 139 C CA -0.644 58.417 59.018 0.071 0.000 1.884 139 C CB 0.174 28.097 27.740 0.305 0.000 2.509 139 C HN 0.733 nan 8.230 nan 0.000 0.566 140 Q N 5.710 125.510 119.800 0.000 0.000 2.361 140 Q HA 0.108 4.447 4.340 -0.001 0.000 0.276 140 Q C -1.226 174.753 176.000 -0.036 0.000 1.022 140 Q CA -0.902 54.878 55.803 -0.037 0.000 0.898 140 Q CB 0.989 29.721 28.738 -0.010 0.000 1.246 140 Q HN 0.572 nan 8.270 nan 0.000 0.410 141 P HA -0.231 nan 4.420 nan 0.000 0.217 141 P C 0.480 177.768 177.300 -0.020 0.000 1.158 141 P CA 2.245 65.279 63.100 -0.110 0.000 0.887 141 P CB 0.090 31.715 31.700 -0.125 0.000 0.792 142 A N -1.274 121.535 122.820 -0.017 0.000 2.248 142 A HA -0.122 4.197 4.320 -0.001 0.000 0.210 142 A C 1.393 178.986 177.584 0.014 0.000 1.174 142 A CA 1.432 53.465 52.037 -0.007 0.000 0.750 142 A CB -0.782 18.212 19.000 -0.009 0.000 0.780 142 A HN 0.136 nan 8.150 nan 0.000 0.478 143 D N -2.709 117.721 120.400 0.051 0.000 2.500 143 D HA -0.016 4.623 4.640 -0.001 0.000 0.218 143 D C 1.259 177.625 176.300 0.110 0.000 1.140 143 D CA -0.411 53.626 54.000 0.061 0.000 0.830 143 D CB -0.328 40.510 40.800 0.064 0.000 1.055 143 D HN 0.700 nan 8.370 nan 0.000 0.512 144 W N 2.406 123.627 121.300 -0.132 0.000 2.315 144 W HA -0.300 4.359 4.660 -0.002 0.000 0.323 144 W C 2.137 178.555 176.519 -0.168 0.000 1.233 144 W CA 1.940 59.190 57.345 -0.159 0.000 1.267 144 W CB 0.125 29.448 29.460 -0.228 0.000 1.160 144 W HN -0.010 nan 8.180 nan 0.000 0.474 145 A N 0.493 123.203 122.820 -0.183 0.000 1.915 145 A HA -0.373 3.946 4.320 -0.001 0.000 0.220 145 A C 1.739 179.256 177.584 -0.111 0.000 1.198 145 A CA 2.650 54.538 52.037 -0.248 0.000 0.647 145 A CB -1.312 17.579 19.000 -0.181 0.000 0.825 145 A HN 0.560 nan 8.150 nan 0.000 0.456 146 E N -0.884 119.268 120.200 -0.079 0.000 2.047 146 E HA -0.152 4.197 4.350 -0.001 0.000 0.191 146 E C 1.867 178.408 176.600 -0.098 0.000 0.987 146 E CA 1.256 57.620 56.400 -0.061 0.000 0.799 146 E CB -0.284 29.398 29.700 -0.030 0.000 0.752 146 E HN 0.421 nan 8.360 nan 0.000 0.449 147 L N 0.136 121.283 121.223 -0.126 0.000 2.046 147 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 147 L C 2.236 178.946 176.870 -0.267 0.000 1.077 147 L CA 1.360 56.100 54.840 -0.166 0.000 0.747 147 L CB -0.418 41.564 42.059 -0.128 0.000 0.896 147 L HN 0.117 nan 8.230 nan 0.000 0.432 148 V N -0.036 119.623 119.914 -0.426 0.000 2.594 148 V HA -0.190 3.929 4.120 -0.001 0.000 0.253 148 V C 2.523 178.491 176.094 -0.211 0.000 1.069 148 V CA 1.619 63.660 62.300 -0.432 0.000 1.082 148 V CB -1.412 30.091 31.823 -0.533 0.000 0.680 148 V HN 0.645 nan 8.190 nan 0.000 0.469 149 G N -0.419 108.296 108.800 -0.142 0.000 2.394 149 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.215 149 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.215 149 G C 1.720 176.565 174.900 -0.091 0.000 1.165 149 G CA 0.835 45.884 45.100 -0.086 0.000 0.784 149 G HN 0.589 nan 8.290 nan 0.000 0.535 150 A N 0.844 123.604 122.820 -0.100 0.000 2.015 150 A HA 0.419 4.738 4.320 -0.001 0.000 0.219 150 A C 2.683 180.205 177.584 -0.104 0.000 1.163 150 A CA 1.909 53.890 52.037 -0.092 0.000 0.646 150 A CB -0.452 18.494 19.000 -0.090 0.000 0.806 150 A HN 0.619 nan 8.150 nan 0.000 0.448 151 A N 0.039 122.784 122.820 -0.125 0.000 1.854 151 A HA 0.041 4.360 4.320 -0.001 0.000 0.214 151 A C 2.240 179.766 177.584 -0.097 0.000 1.192 151 A CA 1.742 53.707 52.037 -0.119 0.000 0.611 151 A CB -1.247 17.669 19.000 -0.140 0.000 0.832 151 A HN 1.134 nan 8.150 nan 0.000 0.442 152 V N -2.426 117.428 119.914 -0.100 0.000 2.867 152 V HA -0.011 4.108 4.120 -0.001 0.000 0.260 152 V C 2.200 178.253 176.094 -0.067 0.000 1.099 152 V CA 1.870 64.121 62.300 -0.082 0.000 1.122 152 V CB -1.207 30.562 31.823 -0.090 0.000 0.708 152 V HN 0.504 nan 8.190 nan 0.000 0.490 153 A N 0.699 123.478 122.820 -0.069 0.000 1.878 153 A HA 0.386 4.705 4.320 -0.001 0.000 0.213 153 A C 2.469 180.019 177.584 -0.057 0.000 1.192 153 A CA 1.440 53.442 52.037 -0.058 0.000 0.619 153 A CB -1.034 17.931 19.000 -0.058 0.000 0.837 153 A HN 0.934 nan 8.150 nan 0.000 0.446 154 A N -0.625 122.155 122.820 -0.067 0.000 2.019 154 A HA -0.201 4.118 4.320 -0.001 0.000 0.219 154 A C 2.110 179.660 177.584 -0.057 0.000 1.164 154 A CA 1.829 53.825 52.037 -0.068 0.000 0.644 154 A CB -0.510 18.438 19.000 -0.088 0.000 0.805 154 A HN 0.677 nan 8.150 nan 0.000 0.449 155 Q N -0.534 119.234 119.800 -0.054 0.000 2.016 155 Q HA -0.075 4.264 4.340 -0.001 0.000 0.200 155 Q C 2.202 178.182 176.000 -0.034 0.000 0.978 155 Q CA 1.533 57.312 55.803 -0.041 0.000 0.833 155 Q CB -0.371 28.343 28.738 -0.041 0.000 0.895 155 Q HN 0.595 nan 8.270 nan 0.000 0.427 156 A N 1.316 124.114 122.820 -0.037 0.000 2.024 156 A HA -0.231 4.088 4.320 -0.001 0.000 0.220 156 A C 1.694 179.261 177.584 -0.028 0.000 1.164 156 A CA 1.747 53.765 52.037 -0.031 0.000 0.643 156 A CB -0.690 18.290 19.000 -0.033 0.000 0.806 156 A HN 0.716 nan 8.150 nan 0.000 0.451 157 E N -1.113 119.068 120.200 -0.032 0.000 2.489 157 E HA 0.307 4.656 4.350 -0.001 0.000 0.193 157 E C 1.015 177.599 176.600 -0.027 0.000 1.057 157 E CA 0.512 56.894 56.400 -0.030 0.000 0.866 157 E CB -0.549 29.131 29.700 -0.035 0.000 0.916 157 E HN 0.747 nan 8.360 nan 0.000 0.500 158 G N 0.754 109.538 108.800 -0.026 0.000 2.168 158 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.257 158 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.257 158 G C 0.799 175.685 174.900 -0.023 0.000 0.997 158 G CA 0.823 45.911 45.100 -0.021 0.000 0.708 158 G HN 0.399 nan 8.290 nan 0.000 0.520 159 T N -1.229 113.305 114.554 -0.034 0.000 3.009 159 T HA 0.410 4.759 4.350 -0.001 0.000 0.258 159 T C 1.163 175.836 174.700 -0.044 0.000 1.063 159 T CA 2.074 64.148 62.100 -0.042 0.000 1.139 159 T CB -0.046 68.788 68.868 -0.057 0.000 0.890 159 T HN 1.433 nan 8.240 nan 0.000 0.471 160 V N -0.647 119.241 119.914 -0.043 0.000 3.159 160 V HA 0.692 4.811 4.120 -0.001 0.000 0.308 160 V C -1.566 174.515 176.094 -0.021 0.000 1.190 160 V CA -1.131 61.147 62.300 -0.038 0.000 1.037 160 V CB 2.164 33.949 31.823 -0.063 0.000 1.060 160 V HN 0.091 nan 8.190 nan 0.000 0.437 161 Q N 1.380 121.179 119.800 -0.002 0.000 2.294 161 Q HA 0.537 4.876 4.340 -0.001 0.000 0.264 161 Q C -1.712 174.306 176.000 0.031 0.000 0.992 161 Q CA -0.578 55.233 55.803 0.013 0.000 0.747 161 Q CB 2.311 31.064 28.738 0.025 0.000 1.262 161 Q HN 0.859 nan 8.270 nan 0.000 0.452 162 V N 4.444 124.372 119.914 0.023 0.000 2.390 162 V HA 0.024 4.143 4.120 -0.001 0.000 0.260 162 V C 1.467 177.606 176.094 0.076 0.000 1.043 162 V CA 0.928 63.254 62.300 0.044 0.000 1.047 162 V CB 0.261 32.094 31.823 0.017 0.000 1.066 162 V HN 0.923 nan 8.190 nan 0.000 0.481 163 T N 0.977 115.598 114.554 0.112 0.000 3.065 163 T HA 0.351 4.700 4.350 -0.001 0.000 0.252 163 T C 0.748 175.540 174.700 0.153 0.000 1.099 163 T CA 0.492 62.679 62.100 0.145 0.000 1.063 163 T CB 0.386 69.373 68.868 0.198 0.000 0.948 163 T HN 0.836 nan 8.240 nan 0.000 0.506 164 G N -0.289 108.600 108.800 0.150 0.000 2.646 164 G HA2 0.558 4.517 3.960 -0.001 0.000 0.291 164 G HA3 0.558 4.517 3.960 -0.001 0.000 0.291 164 G C -2.164 172.861 174.900 0.207 0.000 1.445 164 G CA -0.608 44.584 45.100 0.152 0.000 0.814 164 G HN 0.210 nan 8.290 nan 0.000 0.495 165 V N 1.688 121.724 119.914 0.203 0.000 2.686 165 V HA 0.881 5.001 4.120 -0.001 0.000 0.306 165 V C -0.891 175.372 176.094 0.282 0.000 1.065 165 V CA -0.453 62.019 62.300 0.287 0.000 0.894 165 V CB 1.763 33.701 31.823 0.193 0.000 1.004 165 V HN 1.041 nan 8.190 nan 0.000 0.424 166 W N 3.077 124.315 121.300 -0.103 0.000 2.895 166 W HA 0.855 5.514 4.660 -0.002 0.000 0.377 166 W C -1.089 175.258 176.519 -0.287 0.000 1.191 166 W CA -0.894 56.233 57.345 -0.364 0.000 1.179 166 W CB 1.234 30.048 29.460 -1.075 0.000 1.469 166 W HN 0.587 nan 8.180 nan 0.000 0.577 167 S N -0.719 114.632 115.700 -0.581 0.000 2.790 167 S HA 0.612 5.081 4.470 -0.001 0.000 0.292 167 S C -2.333 171.969 174.600 -0.496 0.000 1.197 167 S CA -0.353 57.426 58.200 -0.702 0.000 0.851 167 S CB 1.600 64.426 63.200 -0.622 0.000 1.217 167 S HN 0.758 nan 8.310 nan 0.000 0.526 168 H N 0.043 118.757 119.070 -0.595 0.000 2.947 168 H HA 0.565 5.121 4.556 -0.002 0.000 0.354 168 H C -1.603 173.515 175.328 -0.351 0.000 1.085 168 H CA -0.557 55.238 56.048 -0.421 0.000 1.253 168 H CB 0.360 29.950 29.762 -0.287 0.000 1.757 168 H HN 0.361 nan 8.280 nan 0.000 0.523 169 F N 2.643 122.302 119.950 -0.484 0.000 2.459 169 F HA 0.346 4.872 4.527 -0.002 0.000 0.346 169 F C 1.522 177.074 175.800 -0.413 0.000 1.128 169 F CA 0.605 58.383 58.000 -0.369 0.000 1.268 169 F CB 0.909 39.756 39.000 -0.255 0.000 1.161 169 F HN 0.761 nan 8.300 nan 0.000 0.583 170 A N 0.969 123.773 122.820 -0.028 0.000 1.956 170 A HA 0.084 4.403 4.320 -0.001 0.000 0.212 170 A C 0.927 178.421 177.584 -0.149 0.000 1.188 170 A CA 0.619 52.592 52.037 -0.106 0.000 0.675 170 A CB -0.422 18.529 19.000 -0.083 0.000 0.845 170 A HN 0.741 nan 8.150 nan 0.000 0.455 171 C N -0.741 118.453 119.300 -0.177 0.000 2.887 171 C HA 0.625 5.084 4.460 -0.001 0.000 0.240 171 C C 1.766 176.632 174.990 -0.206 0.000 1.872 171 C CA -0.672 58.186 59.018 -0.266 0.000 1.626 171 C CB -0.653 26.712 27.740 -0.626 0.000 3.115 171 C HN 0.624 nan 8.230 nan 0.000 0.488 172 A N 1.465 124.178 122.820 -0.179 0.000 2.168 172 A HA -0.122 4.197 4.320 -0.001 0.000 0.215 172 A C 1.895 179.415 177.584 -0.106 0.000 1.152 172 A CA 1.838 53.734 52.037 -0.234 0.000 0.716 172 A CB -0.230 18.609 19.000 -0.268 0.000 0.794 172 A HN 0.742 nan 8.150 nan 0.000 0.465 173 D N -0.416 119.951 120.400 -0.055 0.000 2.340 173 D HA -0.012 4.627 4.640 -0.001 0.000 0.220 173 D C 0.078 176.375 176.300 -0.005 0.000 1.039 173 D CA 0.208 54.211 54.000 0.004 0.000 0.866 173 D CB -0.134 40.699 40.800 0.056 0.000 0.913 173 D HN 0.474 nan 8.370 nan 0.000 0.523 174 E N 1.483 121.663 120.200 -0.034 0.000 2.376 174 E HA 0.264 4.613 4.350 -0.001 0.000 0.236 174 E C -2.534 174.076 176.600 0.018 0.000 0.962 174 E CA -2.298 54.103 56.400 0.002 0.000 0.768 174 E CB 1.451 31.152 29.700 0.002 0.000 1.236 174 E HN 0.026 nan 8.360 nan 0.000 0.431 175 P HA -0.078 nan 4.420 nan 0.000 0.257 175 P C 0.645 177.949 177.300 0.006 0.000 1.162 175 P CA 1.035 64.132 63.100 -0.005 0.000 0.762 175 P CB 0.480 32.178 31.700 -0.004 0.000 0.753 176 G N 1.431 110.226 108.800 -0.007 0.000 2.136 176 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.242 176 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.242 176 G C 0.220 175.120 174.900 -0.000 0.000 0.989 176 G CA -0.343 44.750 45.100 -0.011 0.000 0.682 176 G HN 0.764 nan 8.290 nan 0.000 0.522 177 H N 1.626 120.658 119.070 -0.063 0.000 2.764 177 H HA 0.234 4.789 4.556 -0.001 0.000 0.341 177 H C -0.713 174.584 175.328 -0.052 0.000 1.072 177 H CA -0.508 55.508 56.048 -0.054 0.000 1.444 177 H CB 1.693 31.420 29.762 -0.058 0.000 1.458 177 H HN 0.122 nan 8.280 nan 0.000 0.572 178 P HA -0.159 nan 4.420 nan 0.000 0.222 178 P C 1.352 178.671 177.300 0.032 0.000 1.147 178 P CA 1.222 64.248 63.100 -0.125 0.000 0.790 178 P CB 0.189 31.771 31.700 -0.197 0.000 0.780 179 S N -0.606 115.247 115.700 0.254 0.000 2.423 179 S HA -0.090 4.379 4.470 -0.001 0.000 0.231 179 S C 2.040 176.729 174.600 0.148 0.000 1.014 179 S CA 0.500 58.840 58.200 0.233 0.000 0.965 179 S CB -1.452 61.919 63.200 0.285 0.000 0.785 179 S HN 0.061 nan 8.310 nan 0.000 0.495 180 I N 2.153 122.783 120.570 0.100 0.000 2.099 180 I HA -0.244 3.926 4.170 -0.001 0.000 0.239 180 I C 3.016 179.158 176.117 0.042 0.000 1.066 180 I CA 1.772 63.042 61.300 -0.050 0.000 1.324 180 I CB -0.414 37.468 38.000 -0.197 0.000 1.037 180 I HN 0.268 nan 8.210 nan 0.000 0.401 181 R N 0.499 121.018 120.500 0.031 0.000 2.091 181 R HA -0.130 4.209 4.340 -0.001 0.000 0.238 181 R C 2.296 178.649 176.300 0.089 0.000 1.136 181 R CA 1.035 57.169 56.100 0.057 0.000 0.959 181 R CB -0.508 29.807 30.300 0.025 0.000 0.856 181 R HN 0.272 nan 8.270 nan 0.000 0.437 182 L N 1.412 122.680 121.223 0.075 0.000 2.013 182 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 182 L C 2.346 179.269 176.870 0.088 0.000 1.073 182 L CA 1.949 56.830 54.840 0.067 0.000 0.753 182 L CB -0.896 41.196 42.059 0.055 0.000 0.890 182 L HN 0.403 nan 8.230 nan 0.000 0.432 183 Q N -1.246 118.639 119.800 0.141 0.000 2.083 183 Q HA -0.195 4.144 4.340 -0.001 0.000 0.198 183 Q C 2.132 178.247 176.000 0.192 0.000 0.969 183 Q CA 0.747 56.638 55.803 0.146 0.000 0.838 183 Q CB -0.132 28.740 28.738 0.223 0.000 0.900 183 Q HN 0.284 nan 8.270 nan 0.000 0.436 184 L N 1.851 123.264 121.223 0.316 0.000 2.012 184 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 184 L C 1.517 178.545 176.870 0.264 0.000 1.073 184 L CA 1.994 57.042 54.840 0.347 0.000 0.748 184 L CB -0.684 41.579 42.059 0.341 0.000 0.891 184 L HN 0.101 nan 8.230 nan 0.000 0.431 185 D N -0.048 120.455 120.400 0.172 0.000 2.104 185 D HA -0.189 4.450 4.640 -0.001 0.000 0.194 185 D C 2.197 178.544 176.300 0.078 0.000 0.994 185 D CA 1.723 55.792 54.000 0.115 0.000 0.830 185 D CB -0.329 40.514 40.800 0.072 0.000 0.959 185 D HN 0.494 nan 8.370 nan 0.000 0.452 186 A N 0.544 123.396 122.820 0.053 0.000 1.908 186 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 186 A C 2.145 179.704 177.584 -0.042 0.000 1.181 186 A CA 1.290 53.316 52.037 -0.017 0.000 0.627 186 A CB -1.044 17.929 19.000 -0.045 0.000 0.818 186 A HN 0.246 nan 8.150 nan 0.000 0.445 187 F N 0.982 120.843 119.950 -0.150 0.000 2.069 187 F HA -0.198 4.329 4.527 -0.001 0.000 0.298 187 F C 2.484 178.193 175.800 -0.151 0.000 1.113 187 F CA 1.999 59.864 58.000 -0.225 0.000 1.214 187 F CB -0.320 38.523 39.000 -0.261 0.000 0.978 187 F HN 0.130 nan 8.300 nan 0.000 0.474 188 R N 0.248 120.697 120.500 -0.084 0.000 2.091 188 R HA -0.184 4.155 4.340 -0.001 0.000 0.238 188 R C 1.845 178.067 176.300 -0.130 0.000 1.136 188 R CA 1.741 57.776 56.100 -0.108 0.000 0.959 188 R CB -1.066 29.302 30.300 0.114 0.000 0.856 188 R HN 0.345 nan 8.270 nan 0.000 0.437 189 D N 0.508 120.864 120.400 -0.074 0.000 2.117 189 D HA -0.118 4.521 4.640 -0.001 0.000 0.197 189 D C 1.952 178.226 176.300 -0.043 0.000 0.987 189 D CA 1.272 55.249 54.000 -0.038 0.000 0.829 189 D CB -0.126 40.660 40.800 -0.023 0.000 0.961 189 D HN 0.167 nan 8.370 nan 0.000 0.460 190 M N -0.255 119.243 119.600 -0.169 0.000 2.200 190 M HA -0.093 4.386 4.480 -0.001 0.000 0.265 190 M C 1.931 178.259 176.300 0.048 0.000 1.066 190 M CA 0.455 55.640 55.300 -0.193 0.000 1.127 190 M CB 0.078 32.243 32.600 -0.724 0.000 1.379 190 M HN 0.014 nan 8.290 nan 0.000 0.420 191 L N 0.637 121.705 121.223 -0.258 0.000 1.994 191 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 191 L C 2.505 179.360 176.870 -0.024 0.000 1.071 191 L CA 2.324 57.014 54.840 -0.250 0.000 0.745 191 L CB -1.189 40.454 42.059 -0.693 0.000 0.892 191 L HN 0.231 nan 8.230 nan 0.000 0.431 192 A N -1.250 121.552 122.820 -0.031 0.000 1.892 192 A HA -0.350 3.970 4.320 -0.001 0.000 0.218 192 A C 2.351 179.980 177.584 0.074 0.000 1.188 192 A CA 2.198 54.248 52.037 0.022 0.000 0.631 192 A CB -1.423 17.592 19.000 0.026 0.000 0.822 192 A HN 0.658 nan 8.150 nan 0.000 0.447 193 Y N 0.607 120.941 120.300 0.057 0.000 2.081 193 Y HA -0.185 4.364 4.550 -0.001 0.000 0.280 193 Y C 2.708 178.631 175.900 0.039 0.000 1.163 193 Y CA 1.744 59.890 58.100 0.077 0.000 1.135 193 Y CB -0.729 37.834 38.460 0.171 0.000 0.970 193 Y HN 0.339 nan 8.280 nan 0.000 0.498 194 A N 0.300 123.304 122.820 0.306 0.000 1.884 194 A HA -0.309 4.010 4.320 -0.001 0.000 0.219 194 A C 2.092 179.637 177.584 -0.065 0.000 1.197 194 A CA 2.292 54.378 52.037 0.081 0.000 0.637 194 A CB -1.033 18.070 19.000 0.171 0.000 0.827 194 A HN 0.679 nan 8.150 nan 0.000 0.450 195 E N -0.425 119.758 120.200 -0.028 0.000 2.038 195 E HA -0.223 4.126 4.350 -0.001 0.000 0.195 195 E C 2.037 178.576 176.600 -0.102 0.000 1.000 195 E CA 1.469 57.839 56.400 -0.050 0.000 0.803 195 E CB -0.118 29.568 29.700 -0.023 0.000 0.750 195 E HN 0.359 nan 8.360 nan 0.000 0.448 196 K N 0.811 121.123 120.400 -0.146 0.000 2.152 196 K HA -0.132 4.188 4.320 -0.001 0.000 0.206 196 K C 1.639 178.095 176.600 -0.241 0.000 1.048 196 K CA 0.949 57.124 56.287 -0.186 0.000 0.933 196 K CB -0.127 32.244 32.500 -0.215 0.000 0.721 196 K HN 0.118 nan 8.250 nan 0.000 0.447 197 E N -0.463 119.535 120.200 -0.336 0.000 2.489 197 E HA 0.056 4.405 4.350 -0.001 0.000 0.193 197 E C 0.745 177.240 176.600 -0.175 0.000 1.057 197 E CA 0.487 56.708 56.400 -0.298 0.000 0.866 197 E CB 0.463 29.916 29.700 -0.410 0.000 0.916 197 E HN 0.508 nan 8.360 nan 0.000 0.500 198 G N 0.080 108.798 108.800 -0.136 0.000 2.260 198 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.179 198 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.179 198 G C 0.247 175.106 174.900 -0.069 0.000 1.002 198 G CA -0.034 45.011 45.100 -0.090 0.000 0.677 198 G HN 0.120 nan 8.290 nan 0.000 0.486 199 V N 1.795 121.665 119.914 -0.072 0.000 2.461 199 V HA 0.525 4.644 4.120 -0.001 0.000 0.275 199 V C -0.389 175.697 176.094 -0.014 0.000 1.047 199 V CA -0.011 62.265 62.300 -0.041 0.000 0.955 199 V CB 1.656 33.454 31.823 -0.042 0.000 0.988 199 V HN 0.285 nan 8.190 nan 0.000 0.471 200 D N 6.983 127.386 120.400 0.004 0.000 2.462 200 D HA 0.379 5.018 4.640 -0.001 0.000 0.249 200 D C -2.326 174.001 176.300 0.045 0.000 1.117 200 D CA -1.674 52.339 54.000 0.022 0.000 0.900 200 D CB 1.424 42.235 40.800 0.019 0.000 1.039 200 D HN 0.309 nan 8.370 nan 0.000 0.516 201 P HA 0.145 nan 4.420 nan 0.000 0.275 201 P C 0.515 177.875 177.300 0.101 0.000 1.227 201 P CA -0.154 62.997 63.100 0.085 0.000 0.781 201 P CB 1.772 33.526 31.700 0.090 0.000 0.906 202 E N 1.126 121.401 120.200 0.124 0.000 2.158 202 E HA 0.012 4.361 4.350 -0.001 0.000 0.191 202 E C 0.305 176.994 176.600 0.149 0.000 0.982 202 E CA 0.650 57.139 56.400 0.148 0.000 0.823 202 E CB 0.349 30.168 29.700 0.198 0.000 0.766 202 E HN 0.413 nan 8.360 nan 0.000 0.468 203 V N -1.243 118.748 119.914 0.130 0.000 2.841 203 V HA 0.603 4.723 4.120 -0.001 0.000 0.310 203 V C -1.042 175.156 176.094 0.173 0.000 1.090 203 V CA -1.126 61.240 62.300 0.110 0.000 0.930 203 V CB 1.913 33.694 31.823 -0.071 0.000 1.014 203 V HN -0.048 nan 8.190 nan 0.000 0.425 204 R N 2.674 123.300 120.500 0.209 0.000 2.439 204 R HA 0.804 5.143 4.340 -0.001 0.000 0.310 204 R C -1.099 175.337 176.300 0.225 0.000 0.955 204 R CA -0.530 55.689 56.100 0.198 0.000 0.853 204 R CB 1.696 32.107 30.300 0.184 0.000 1.171 204 R HN 1.164 nan 8.270 nan 0.000 0.449 205 H N -0.067 119.020 119.070 0.029 0.000 3.046 205 H HA 0.490 5.045 4.556 -0.002 0.000 0.363 205 H C -0.446 174.668 175.328 -0.356 0.000 1.203 205 H CA -1.015 54.964 56.048 -0.115 0.000 1.169 205 H CB 1.649 31.338 29.762 -0.121 0.000 1.851 205 H HN 0.540 nan 8.280 nan 0.000 0.546 206 I N 0.028 120.432 120.570 -0.278 0.000 5.144 206 I HA 0.449 4.619 4.170 -0.001 0.000 0.368 206 I C -0.216 175.785 176.117 -0.194 0.000 1.191 206 I CA -0.033 60.941 61.300 -0.543 0.000 1.502 206 I CB 0.314 37.612 38.000 -1.170 0.000 1.842 206 I HN 0.800 nan 8.210 nan 0.000 0.617 207 A N 2.372 125.267 122.820 0.125 0.000 2.409 207 A HA 0.458 4.777 4.320 -0.001 0.000 0.262 207 A C -0.146 177.577 177.584 0.232 0.000 1.113 207 A CA -0.155 52.064 52.037 0.302 0.000 0.790 207 A CB -0.039 19.163 19.000 0.337 0.000 1.046 207 A HN 0.608 nan 8.150 nan 0.000 0.496 208 N N 1.371 120.241 118.700 0.283 0.000 2.776 208 N HA 0.306 5.045 4.740 -0.001 0.000 0.319 208 N C 0.846 176.470 175.510 0.189 0.000 1.316 208 N CA -0.139 53.062 53.050 0.252 0.000 0.890 208 N CB -0.167 38.527 38.487 0.345 0.000 1.165 208 N HN 0.254 nan 8.380 nan 0.000 0.596 209 S N 0.248 116.060 115.700 0.186 0.000 2.353 209 S HA -0.057 4.413 4.470 -0.001 0.000 0.222 209 S C -1.031 173.637 174.600 0.114 0.000 1.035 209 S CA 1.753 60.027 58.200 0.124 0.000 1.025 209 S CB -1.070 62.206 63.200 0.126 0.000 0.902 209 S HN 0.678 nan 8.310 nan 0.000 0.440 210 P HA -0.004 nan 4.420 nan 0.000 0.216 210 P C 1.277 178.614 177.300 0.061 0.000 1.153 210 P CA 1.477 64.632 63.100 0.091 0.000 0.848 210 P CB -0.172 31.583 31.700 0.092 0.000 0.787 211 A N -0.247 122.619 122.820 0.076 0.000 1.933 211 A HA -0.132 4.187 4.320 -0.001 0.000 0.218 211 A C 2.329 180.009 177.584 0.159 0.000 1.175 211 A CA 2.288 54.359 52.037 0.058 0.000 0.628 211 A CB -1.917 17.174 19.000 0.152 0.000 0.814 211 A HN 0.189 nan 8.150 nan 0.000 0.444 212 T N 0.303 114.961 114.554 0.174 0.000 2.821 212 T HA -0.037 4.312 4.350 -0.001 0.000 0.267 212 T C 1.640 176.451 174.700 0.184 0.000 1.046 212 T CA 1.450 63.657 62.100 0.178 0.000 1.139 212 T CB -0.297 68.572 68.868 0.003 0.000 0.871 212 T HN 0.382 nan 8.240 nan 0.000 0.454 213 L N 1.004 122.288 121.223 0.102 0.000 2.418 213 L HA 0.048 4.387 4.340 -0.001 0.000 0.218 213 L C 2.706 179.616 176.870 0.066 0.000 1.125 213 L CA 1.065 55.949 54.840 0.073 0.000 0.835 213 L CB -0.474 41.611 42.059 0.042 0.000 0.953 213 L HN 0.432 nan 8.230 nan 0.000 0.454 214 T N -3.860 110.729 114.554 0.059 0.000 3.151 214 T HA 0.170 4.519 4.350 -0.001 0.000 0.239 214 T C 0.646 175.341 174.700 -0.009 0.000 0.979 214 T CA -0.203 61.907 62.100 0.016 0.000 1.194 214 T CB 0.066 68.927 68.868 -0.012 0.000 0.982 214 T HN -0.161 nan 8.240 nan 0.000 0.428 215 L N 3.972 125.183 121.223 -0.021 0.000 2.352 215 L HA 0.438 4.778 4.340 -0.001 0.000 0.272 215 L C -1.982 174.777 176.870 -0.184 0.000 1.109 215 L CA -2.911 51.881 54.840 -0.080 0.000 0.952 215 L CB 0.118 42.118 42.059 -0.098 0.000 1.314 215 L HN 0.148 nan 8.230 nan 0.000 0.427 216 P HA -0.156 nan 4.420 nan 0.000 0.225 216 P C 0.956 177.830 177.300 -0.710 0.000 1.148 216 P CA 0.948 63.517 63.100 -0.884 0.000 0.779 216 P CB 0.259 31.696 31.700 -0.439 0.000 0.780 217 E N 0.030 120.025 120.200 -0.342 0.000 2.511 217 E HA -0.057 4.292 4.350 -0.001 0.000 0.196 217 E C 0.878 177.346 176.600 -0.219 0.000 1.066 217 E CA 1.144 57.388 56.400 -0.260 0.000 0.871 217 E CB -1.063 28.552 29.700 -0.142 0.000 0.863 217 E HN 0.319 nan 8.360 nan 0.000 0.520 218 T N -2.624 111.886 114.554 -0.074 0.000 3.040 218 T HA 0.066 4.415 4.350 -0.001 0.000 0.250 218 T C 1.255 176.216 174.700 0.435 0.000 1.058 218 T CA -0.093 62.179 62.100 0.286 0.000 0.988 218 T CB -0.260 68.869 68.868 0.435 0.000 0.993 218 T HN 0.038 nan 8.240 nan 0.000 0.519 219 H N 1.363 120.490 119.070 0.094 0.000 2.352 219 H HA 0.141 4.696 4.556 -0.001 0.000 0.299 219 H C 0.989 176.456 175.328 0.231 0.000 1.097 219 H CA 0.589 56.709 56.048 0.121 0.000 1.311 219 H CB -0.801 28.982 29.762 0.035 0.000 1.377 219 H HN 0.384 nan 8.280 nan 0.000 0.504 220 F N -0.210 119.873 119.950 0.222 0.000 1.897 220 F HA -0.417 4.109 4.527 -0.001 0.000 0.219 220 F C 1.913 177.801 175.800 0.147 0.000 0.336 220 F CA 1.728 59.837 58.000 0.182 0.000 0.735 220 F CB -0.880 38.251 39.000 0.218 0.000 2.719 220 F HN 0.163 nan 8.300 nan 0.000 0.502 221 D N 0.118 120.755 120.400 0.394 0.000 2.213 221 D HA 0.151 4.790 4.640 -0.001 0.000 0.205 221 D C 0.452 176.824 176.300 0.119 0.000 0.961 221 D CA 1.185 55.314 54.000 0.215 0.000 0.853 221 D CB 0.340 41.254 40.800 0.189 0.000 0.967 221 D HN 0.140 nan 8.370 nan 0.000 0.496 222 L N 0.629 121.918 121.223 0.110 0.000 2.434 222 L HA 0.356 4.695 4.340 -0.001 0.000 0.260 222 L C -1.565 175.300 176.870 -0.009 0.000 0.983 222 L CA -0.909 53.898 54.840 -0.056 0.000 0.820 222 L CB 2.677 44.525 42.059 -0.351 0.000 1.361 222 L HN -0.238 nan 8.230 nan 0.000 0.410 223 V N 0.698 120.567 119.914 -0.074 0.000 2.588 223 V HA 0.613 4.732 4.120 -0.001 0.000 0.304 223 V C -0.649 175.396 176.094 -0.082 0.000 1.042 223 V CA -0.811 61.464 62.300 -0.042 0.000 0.877 223 V CB 1.709 33.477 31.823 -0.093 0.000 0.996 223 V HN 0.774 nan 8.190 nan 0.000 0.425 224 R N 3.062 123.537 120.500 -0.042 0.000 2.233 224 R HA 0.524 4.863 4.340 -0.001 0.000 0.334 224 R C -0.103 176.218 176.300 0.036 0.000 1.037 224 R CA -0.208 55.873 56.100 -0.032 0.000 0.920 224 R CB 1.237 31.505 30.300 -0.053 0.000 1.137 224 R HN 0.954 nan 8.270 nan 0.000 0.492 225 T N -0.965 113.590 114.554 0.001 0.000 2.767 225 T HA 0.500 4.849 4.350 -0.001 0.000 0.284 225 T C 0.767 175.436 174.700 -0.051 0.000 0.973 225 T CA -0.702 61.391 62.100 -0.012 0.000 0.996 225 T CB 2.095 70.919 68.868 -0.074 0.000 0.927 225 T HN 0.523 nan 8.240 nan 0.000 0.456 226 G N 1.588 110.377 108.800 -0.019 0.000 2.534 226 G HA2 0.229 4.188 3.960 -0.001 0.000 0.220 226 G HA3 0.229 4.188 3.960 -0.001 0.000 0.220 226 G C 0.939 175.609 174.900 -0.383 0.000 1.699 226 G CA -0.181 44.814 45.100 -0.175 0.000 0.769 226 G HN 0.620 nan 8.290 nan 0.000 0.632 227 L N 1.726 122.873 121.223 -0.127 0.000 2.013 227 L HA -0.028 4.311 4.340 -0.001 0.000 0.212 227 L C 3.087 179.881 176.870 -0.128 0.000 1.073 227 L CA 2.617 57.416 54.840 -0.070 0.000 0.753 227 L CB -0.533 41.398 42.059 -0.212 0.000 0.890 227 L HN 0.300 nan 8.230 nan 0.000 0.432 228 A N -1.640 121.096 122.820 -0.139 0.000 2.024 228 A HA -0.155 4.165 4.320 -0.001 0.000 0.220 228 A C 2.257 179.696 177.584 -0.241 0.000 1.164 228 A CA 1.699 53.653 52.037 -0.140 0.000 0.643 228 A CB -0.986 17.962 19.000 -0.086 0.000 0.806 228 A HN 0.324 nan 8.150 nan 0.000 0.451 229 V N -1.574 118.076 119.914 -0.439 0.000 2.759 229 V HA -0.228 3.891 4.120 -0.001 0.000 0.256 229 V C 1.744 177.408 176.094 -0.717 0.000 1.080 229 V CA 1.524 63.453 62.300 -0.618 0.000 1.101 229 V CB -0.936 30.370 31.823 -0.861 0.000 0.698 229 V HN 0.767 nan 8.190 nan 0.000 0.477 230 Y N -0.268 119.870 120.300 -0.270 0.000 2.457 230 Y HA 0.463 5.012 4.550 -0.000 0.000 0.263 230 Y C 1.783 177.589 175.900 -0.156 0.000 1.164 230 Y CA 0.386 58.292 58.100 -0.324 0.000 1.274 230 Y CB 0.215 38.305 38.460 -0.617 0.000 1.097 230 Y HN 0.263 nan 8.280 nan 0.000 0.523 231 G N 0.580 109.356 108.800 -0.041 0.000 2.137 231 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.237 231 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.237 231 G C -0.524 174.387 174.900 0.019 0.000 1.002 231 G CA 0.084 45.181 45.100 -0.004 0.000 0.702 231 G HN 0.142 nan 8.290 nan 0.000 0.515 232 V N 0.267 120.186 119.914 0.009 0.000 2.604 232 V HA 0.753 4.872 4.120 -0.001 0.000 0.305 232 V C 0.699 176.770 176.094 -0.038 0.000 1.043 232 V CA -0.135 62.167 62.300 0.004 0.000 0.888 232 V CB 1.864 33.699 31.823 0.020 0.000 0.995 232 V HN 0.567 nan 8.190 nan 0.000 0.429 233 S N 4.787 120.475 115.700 -0.020 0.000 2.545 233 S HA 0.321 4.791 4.470 -0.001 0.000 0.275 233 S C -1.403 173.180 174.600 -0.027 0.000 1.299 233 S CA -1.081 57.111 58.200 -0.014 0.000 1.048 233 S CB 1.266 64.473 63.200 0.013 0.000 0.938 233 S HN 0.627 nan 8.310 nan 0.000 0.496 234 P HA 0.009 nan 4.420 nan 0.000 0.221 234 P C -0.142 177.261 177.300 0.172 0.000 1.145 234 P CA 0.662 63.823 63.100 0.101 0.000 0.795 234 P CB 0.034 31.855 31.700 0.202 0.000 0.775 235 S N -4.872 110.887 115.700 0.099 0.000 2.586 235 S HA 0.312 4.781 4.470 -0.001 0.000 0.277 235 S C -2.687 171.949 174.600 0.059 0.000 1.131 235 S CA -1.137 57.119 58.200 0.092 0.000 0.848 235 S CB 1.256 64.511 63.200 0.093 0.000 1.091 235 S HN -0.262 nan 8.310 nan 0.000 0.453 236 P HA -0.079 nan 4.420 nan 0.000 0.220 236 P C 0.933 178.252 177.300 0.032 0.000 1.148 236 P CA 1.375 64.498 63.100 0.039 0.000 0.803 236 P CB -0.113 31.610 31.700 0.037 0.000 0.782 237 E N -0.337 119.883 120.200 0.034 0.000 2.160 237 E HA -0.141 4.208 4.350 -0.001 0.000 0.195 237 E C 1.504 178.118 176.600 0.023 0.000 0.991 237 E CA 0.848 57.264 56.400 0.026 0.000 0.810 237 E CB -0.606 29.110 29.700 0.027 0.000 0.742 237 E HN 0.194 nan 8.360 nan 0.000 0.466 238 L N -0.727 120.513 121.223 0.029 0.000 2.558 238 L HA 0.236 4.575 4.340 -0.001 0.000 0.225 238 L C 0.976 177.859 176.870 0.021 0.000 1.128 238 L CA 0.858 55.713 54.840 0.024 0.000 0.868 238 L CB -0.160 41.918 42.059 0.031 0.000 1.006 238 L HN 0.201 nan 8.230 nan 0.000 0.454 239 G N -1.052 107.761 108.800 0.022 0.000 2.498 239 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.651 239 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.651 239 G C -0.139 174.774 174.900 0.020 0.000 1.284 239 G CA -0.455 44.656 45.100 0.019 0.000 0.950 239 G HN 0.256 nan 8.290 nan 0.000 0.511 240 T N -1.473 113.092 114.554 0.018 0.000 2.902 240 T HA 0.699 5.049 4.350 -0.001 0.000 0.280 240 T C -1.112 173.598 174.700 0.016 0.000 0.992 240 T CA -0.724 61.388 62.100 0.020 0.000 1.015 240 T CB 2.068 70.948 68.868 0.020 0.000 1.044 240 T HN 0.308 nan 8.240 nan 0.000 0.520 241 P HA -0.057 nan 4.420 nan 0.000 0.216 241 P C 1.654 178.959 177.300 0.009 0.000 1.150 241 P CA 1.593 64.700 63.100 0.011 0.000 0.837 241 P CB -0.334 31.375 31.700 0.015 0.000 0.786 242 A N -0.196 122.632 122.820 0.013 0.000 1.908 242 A HA -0.274 4.045 4.320 -0.001 0.000 0.218 242 A C 2.232 179.821 177.584 0.009 0.000 1.181 242 A CA 1.704 53.747 52.037 0.011 0.000 0.627 242 A CB -1.315 17.693 19.000 0.013 0.000 0.818 242 A HN 0.231 nan 8.150 nan 0.000 0.445 243 Q N -1.158 118.648 119.800 0.010 0.000 2.119 243 Q HA -0.040 4.299 4.340 -0.001 0.000 0.201 243 Q C 1.300 177.305 176.000 0.008 0.000 0.972 243 Q CA 0.852 56.661 55.803 0.009 0.000 0.847 243 Q CB -0.178 28.567 28.738 0.011 0.000 0.903 243 Q HN 0.463 nan 8.270 nan 0.000 0.433 244 L N -0.567 120.660 121.223 0.007 0.000 2.599 244 L HA 0.135 4.474 4.340 -0.001 0.000 0.230 244 L C 1.113 177.983 176.870 0.000 0.000 1.141 244 L CA 1.222 56.064 54.840 0.004 0.000 0.877 244 L CB -0.599 41.462 42.059 0.003 0.000 1.009 244 L HN 0.363 nan 8.230 nan 0.000 0.447 245 G N -0.409 108.392 108.800 0.001 0.000 2.198 245 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.257 245 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.257 245 G C -0.022 174.874 174.900 -0.007 0.000 1.042 245 G CA 0.007 45.106 45.100 -0.001 0.000 0.791 245 G HN 0.136 nan 8.290 nan 0.000 0.502 246 L N -0.682 120.537 121.223 -0.007 0.000 2.334 246 L HA 0.740 5.080 4.340 -0.001 0.000 0.272 246 L C 0.718 177.586 176.870 -0.003 0.000 1.020 246 L CA -1.269 53.563 54.840 -0.014 0.000 0.812 246 L CB 1.676 43.722 42.059 -0.021 0.000 1.264 246 L HN 0.258 nan 8.230 nan 0.000 0.439 247 R N 2.491 122.989 120.500 -0.004 0.000 2.360 247 R HA 0.451 4.790 4.340 -0.001 0.000 0.318 247 R C -2.360 173.953 176.300 0.022 0.000 0.950 247 R CA -1.699 54.407 56.100 0.010 0.000 0.837 247 R CB 1.591 31.897 30.300 0.010 0.000 1.165 247 R HN 0.337 nan 8.270 nan 0.000 0.458 248 P HA -0.015 nan 4.420 nan 0.000 0.265 248 P C -0.481 176.869 177.300 0.082 0.000 1.193 248 P CA 0.316 63.455 63.100 0.065 0.000 0.765 248 P CB 1.238 32.974 31.700 0.061 0.000 0.823 249 A N 3.826 126.728 122.820 0.137 0.000 2.063 249 A HA 0.118 4.438 4.320 -0.001 0.000 0.211 249 A C 0.969 178.666 177.584 0.188 0.000 1.177 249 A CA 0.638 52.776 52.037 0.169 0.000 0.759 249 A CB -0.277 18.845 19.000 0.204 0.000 0.857 249 A HN 0.559 nan 8.150 nan 0.000 0.468 250 M N 0.991 120.707 119.600 0.194 0.000 2.363 250 M HA 0.444 4.923 4.480 -0.001 0.000 0.343 250 M C -1.524 174.757 176.300 -0.031 0.000 1.165 250 M CA 0.129 55.447 55.300 0.029 0.000 1.046 250 M CB 1.629 34.144 32.600 -0.141 0.000 1.648 250 M HN 0.057 nan 8.290 nan 0.000 0.452 251 T N 5.391 119.891 114.554 -0.091 0.000 2.985 251 T HA 0.377 4.726 4.350 -0.001 0.000 0.315 251 T C -1.104 173.467 174.700 -0.215 0.000 1.001 251 T CA -0.518 61.513 62.100 -0.115 0.000 1.016 251 T CB 0.944 69.760 68.868 -0.086 0.000 0.993 251 T HN 0.557 nan 8.240 nan 0.000 0.454 252 L N 4.985 126.076 121.223 -0.221 0.000 2.260 252 L HA 0.503 4.843 4.340 -0.001 0.000 0.289 252 L C 0.089 176.778 176.870 -0.301 0.000 1.057 252 L CA 0.111 54.779 54.840 -0.286 0.000 0.811 252 L CB -0.023 41.882 42.059 -0.256 0.000 1.184 252 L HN 0.468 nan 8.230 nan 0.000 0.429 253 R N 3.895 124.107 120.500 -0.481 0.000 2.778 253 R HA 0.942 5.281 4.340 -0.001 0.000 0.277 253 R C -1.076 175.043 176.300 -0.301 0.000 0.977 253 R CA -0.961 54.897 56.100 -0.404 0.000 0.950 253 R CB 1.918 31.904 30.300 -0.522 0.000 1.165 253 R HN 0.666 nan 8.270 nan 0.000 0.474 254 A N 0.690 123.429 122.820 -0.135 0.000 2.566 254 A HA 0.632 4.951 4.320 -0.001 0.000 0.292 254 A C -1.079 176.490 177.584 -0.024 0.000 1.112 254 A CA -0.627 51.374 52.037 -0.061 0.000 0.707 254 A CB 2.187 21.143 19.000 -0.073 0.000 1.302 254 A HN 0.513 nan 8.150 nan 0.000 0.409 255 S N 0.856 116.550 115.700 -0.010 0.000 2.456 255 S HA 0.513 4.983 4.470 -0.001 0.000 0.316 255 S C -0.122 174.451 174.600 -0.044 0.000 1.089 255 S CA -0.491 57.702 58.200 -0.012 0.000 1.101 255 S CB 0.519 63.725 63.200 0.010 0.000 0.995 255 S HN 0.535 nan 8.310 nan 0.000 0.468 256 L N 2.528 123.718 121.223 -0.054 0.000 2.559 256 L HA 0.025 4.364 4.340 -0.001 0.000 0.282 256 L C 1.351 178.185 176.870 -0.060 0.000 1.232 256 L CA -0.173 54.623 54.840 -0.074 0.000 0.885 256 L CB 0.125 42.146 42.059 -0.064 0.000 1.131 256 L HN 0.845 nan 8.230 nan 0.000 0.498 257 A N 4.174 126.950 122.820 -0.072 0.000 2.169 257 A HA 0.403 4.722 4.320 -0.001 0.000 0.210 257 A C 0.185 177.741 177.584 -0.048 0.000 1.168 257 A CA 0.364 52.367 52.037 -0.056 0.000 0.813 257 A CB 0.393 19.357 19.000 -0.061 0.000 0.861 257 A HN 0.534 nan 8.150 nan 0.000 0.481 258 L N -2.021 119.170 121.223 -0.053 0.000 2.794 258 L HA 0.550 4.889 4.340 -0.001 0.000 0.261 258 L C -2.071 174.775 176.870 -0.039 0.000 0.989 258 L CA -0.377 54.438 54.840 -0.041 0.000 0.900 258 L CB 2.232 44.267 42.059 -0.041 0.000 1.473 258 L HN -0.077 nan 8.230 nan 0.000 0.414 259 V N 2.632 122.533 119.914 -0.021 0.000 2.711 259 V HA 0.698 4.817 4.120 -0.001 0.000 0.304 259 V C -1.114 174.988 176.094 0.014 0.000 1.097 259 V CA -0.661 61.637 62.300 -0.002 0.000 0.906 259 V CB 1.871 33.697 31.823 0.005 0.000 1.015 259 V HN 0.817 nan 8.190 nan 0.000 0.427 260 K N 1.241 121.649 120.400 0.013 0.000 2.556 260 K HA 0.743 5.062 4.320 -0.001 0.000 0.274 260 K C -1.076 175.497 176.600 -0.045 0.000 0.966 260 K CA -0.754 55.529 56.287 -0.006 0.000 0.865 260 K CB 2.261 34.739 32.500 -0.037 0.000 1.444 260 K HN 0.384 nan 8.250 nan 0.000 0.433 261 T N 1.322 115.819 114.554 -0.095 0.000 2.889 261 T HA 0.435 4.785 4.350 -0.001 0.000 0.291 261 T C -0.386 174.215 174.700 -0.164 0.000 0.995 261 T CA -0.600 61.374 62.100 -0.211 0.000 1.092 261 T CB 1.020 69.747 68.868 -0.234 0.000 0.954 261 T HN 0.515 nan 8.240 nan 0.000 0.506 262 V N 1.508 121.315 119.914 -0.178 0.000 2.876 262 V HA 0.784 4.904 4.120 -0.001 0.000 0.312 262 V C -2.816 173.225 176.094 -0.088 0.000 1.085 262 V CA -2.931 59.264 62.300 -0.175 0.000 0.945 262 V CB 1.914 33.532 31.823 -0.341 0.000 1.017 262 V HN 0.597 nan 8.190 nan 0.000 0.428 263 P HA 0.282 nan 4.420 nan 0.000 0.272 263 P C -0.013 177.306 177.300 0.031 0.000 1.240 263 P CA 0.200 63.313 63.100 0.021 0.000 0.791 263 P CB 0.733 32.468 31.700 0.057 0.000 0.978 264 A N 0.898 123.721 122.820 0.004 0.000 2.483 264 A HA 0.434 4.753 4.320 -0.001 0.000 0.238 264 A C 1.386 178.965 177.584 -0.007 0.000 1.070 264 A CA 0.535 52.568 52.037 -0.007 0.000 0.770 264 A CB -1.428 17.561 19.000 -0.018 0.000 1.008 264 A HN 0.902 nan 8.150 nan 0.000 0.497 265 G N 0.351 109.132 108.800 -0.032 0.000 2.198 265 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.260 265 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.260 265 G C 0.017 174.881 174.900 -0.060 0.000 1.025 265 G CA 0.891 45.954 45.100 -0.062 0.000 0.769 265 G HN 1.454 nan 8.290 nan 0.000 0.507 266 H N 0.120 119.121 119.070 -0.114 0.000 2.527 266 H HA 0.541 5.096 4.556 -0.002 0.000 0.321 266 H C 1.123 176.346 175.328 -0.175 0.000 1.087 266 H CA 0.153 56.128 56.048 -0.121 0.000 1.337 266 H CB 0.846 30.570 29.762 -0.064 0.000 1.440 266 H HN 0.356 nan 8.280 nan 0.000 0.490 267 G N 2.939 111.571 108.800 -0.280 0.000 2.483 267 G HA2 0.380 4.339 3.960 -0.001 0.000 0.248 267 G HA3 0.380 4.339 3.960 -0.001 0.000 0.248 267 G C -0.995 173.973 174.900 0.113 0.000 1.248 267 G CA -0.431 44.378 45.100 -0.486 0.000 0.838 267 G HN 0.537 nan 8.290 nan 0.000 0.566 268 V N 1.582 121.659 119.914 0.271 0.000 2.525 268 V HA 0.642 4.761 4.120 -0.001 0.000 0.299 268 V C 0.445 176.725 176.094 0.311 0.000 1.034 268 V CA 0.157 62.652 62.300 0.326 0.000 0.863 268 V CB 0.593 32.628 31.823 0.355 0.000 0.999 268 V HN 1.453 nan 8.190 nan 0.000 0.423 269 S N 3.529 119.345 115.700 0.193 0.000 3.845 269 S HA -0.176 4.293 4.470 -0.001 0.000 0.641 269 S C -0.544 174.102 174.600 0.076 0.000 1.900 269 S CA -0.120 58.100 58.200 0.034 0.000 2.062 269 S CB -0.518 62.719 63.200 0.060 0.000 0.327 269 S HN 0.727 nan 8.310 nan 0.000 1.788 270 Y N 1.701 122.076 120.300 0.124 0.000 2.712 270 Y HA 0.353 4.904 4.550 0.001 0.000 0.333 270 Y C 1.958 177.927 175.900 0.115 0.000 1.225 270 Y CA 0.907 59.053 58.100 0.075 0.000 1.499 270 Y CB -0.287 38.237 38.460 0.107 0.000 1.288 270 Y HN 1.491 nan 8.280 nan 0.000 0.575 271 G N 1.478 110.357 108.800 0.132 0.000 2.245 271 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.264 271 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.264 271 G C 0.205 174.930 174.900 -0.292 0.000 0.985 271 G CA 0.256 45.304 45.100 -0.087 0.000 0.625 271 G HN 0.942 nan 8.290 nan 0.000 0.536 272 H N -1.167 117.858 119.070 -0.076 0.000 2.770 272 H HA -0.164 4.392 4.556 -0.000 0.000 0.309 272 H C 1.206 176.456 175.328 -0.130 0.000 1.206 272 H CA 1.406 57.420 56.048 -0.057 0.000 1.147 272 H CB -1.806 27.917 29.762 -0.066 0.000 1.422 272 H HN 0.834 nan 8.280 nan 0.000 0.420 273 H N -1.813 117.402 119.070 0.243 0.000 2.556 273 H HA 0.135 4.690 4.556 -0.002 0.000 0.268 273 H C 0.384 175.844 175.328 0.220 0.000 0.996 273 H CA 1.039 57.199 56.048 0.186 0.000 1.157 273 H CB 0.337 30.193 29.762 0.156 0.000 1.355 273 H HN 0.442 nan 8.280 nan 0.000 0.597 274 Y N 0.169 120.560 120.300 0.153 0.000 2.457 274 Y HA 0.465 5.014 4.550 -0.002 0.000 0.343 274 Y C -1.596 174.336 175.900 0.053 0.000 0.994 274 Y CA -1.283 56.878 58.100 0.101 0.000 1.031 274 Y CB 1.408 39.933 38.460 0.108 0.000 1.246 274 Y HN -0.283 nan 8.280 nan 0.000 0.449 275 V N 4.501 124.105 119.914 -0.516 0.000 2.577 275 V HA 0.311 4.430 4.120 -0.001 0.000 0.303 275 V C -0.332 175.440 176.094 -0.536 0.000 1.042 275 V CA -0.836 61.249 62.300 -0.359 0.000 0.872 275 V CB 1.859 33.543 31.823 -0.232 0.000 0.998 275 V HN 0.877 nan 8.190 nan 0.000 0.423 276 T N 0.343 114.739 114.554 -0.263 0.000 2.908 276 T HA 0.108 4.457 4.350 -0.001 0.000 0.301 276 T C 0.788 175.401 174.700 -0.145 0.000 1.019 276 T CA 0.076 62.081 62.100 -0.159 0.000 1.152 276 T CB 0.844 69.717 68.868 0.009 0.000 0.966 276 T HN 0.777 nan 8.240 nan 0.000 0.540 277 E N 1.426 121.553 120.200 -0.122 0.000 2.358 277 E HA 0.065 4.414 4.350 -0.001 0.000 0.195 277 E C 0.871 177.446 176.600 -0.041 0.000 1.010 277 E CA 0.528 56.880 56.400 -0.081 0.000 0.856 277 E CB 0.215 29.881 29.700 -0.056 0.000 0.795 277 E HN 0.891 nan 8.360 nan 0.000 0.504 278 S N -1.203 114.482 115.700 -0.025 0.000 2.661 278 S HA 0.168 4.637 4.470 -0.001 0.000 0.268 278 S C -0.942 173.649 174.600 -0.015 0.000 1.162 278 S CA -1.096 57.096 58.200 -0.015 0.000 0.817 278 S CB 1.196 64.392 63.200 -0.006 0.000 1.141 278 S HN -0.020 nan 8.310 nan 0.000 0.477 279 E N 0.448 120.634 120.200 -0.024 0.000 2.465 279 E HA 0.364 4.713 4.350 -0.001 0.000 0.260 279 E C -0.372 176.189 176.600 -0.065 0.000 0.980 279 E CA 0.686 57.056 56.400 -0.051 0.000 0.927 279 E CB 0.637 30.303 29.700 -0.056 0.000 0.934 279 E HN 0.601 nan 8.360 nan 0.000 0.459 280 T N 2.760 117.249 114.554 -0.110 0.000 2.739 280 T HA 0.288 4.637 4.350 -0.001 0.000 0.303 280 T C -1.750 172.820 174.700 -0.217 0.000 1.389 280 T CA -0.751 61.291 62.100 -0.097 0.000 1.001 280 T CB 0.598 69.485 68.868 0.032 0.000 1.436 280 T HN 0.470 nan 8.240 nan 0.000 0.500 281 H N 1.018 120.086 119.070 -0.002 0.000 2.488 281 H HA 0.640 5.195 4.556 -0.002 0.000 0.322 281 H C -0.364 174.953 175.328 -0.019 0.000 1.078 281 H CA -0.450 55.588 56.048 -0.016 0.000 1.260 281 H CB 0.770 30.523 29.762 -0.015 0.000 1.425 281 H HN 0.280 nan 8.280 nan 0.000 0.471 282 L N 2.198 123.451 121.223 0.051 0.000 2.325 282 L HA 0.739 5.078 4.340 -0.001 0.000 0.278 282 L C -0.003 176.862 176.870 -0.008 0.000 1.023 282 L CA -1.047 53.797 54.840 0.007 0.000 0.811 282 L CB 1.559 43.597 42.059 -0.035 0.000 1.249 282 L HN 0.655 nan 8.230 nan 0.000 0.431 283 A N 3.096 125.893 122.820 -0.038 0.000 2.371 283 A HA 0.678 4.997 4.320 -0.001 0.000 0.311 283 A C -1.279 176.231 177.584 -0.123 0.000 1.068 283 A CA -0.501 51.495 52.037 -0.067 0.000 0.744 283 A CB 1.658 20.619 19.000 -0.066 0.000 1.239 283 A HN 0.533 nan 8.150 nan 0.000 0.435 284 L N 3.407 124.552 121.223 -0.130 0.000 2.257 284 L HA 0.541 4.880 4.340 -0.001 0.000 0.290 284 L C -0.672 176.055 176.870 -0.240 0.000 1.044 284 L CA -0.102 54.633 54.840 -0.176 0.000 0.810 284 L CB 1.303 43.290 42.059 -0.120 0.000 1.193 284 L HN 0.420 nan 8.230 nan 0.000 0.425 285 V N 7.964 127.624 119.914 -0.423 0.000 2.385 285 V HA 0.341 4.460 4.120 -0.001 0.000 0.269 285 V C -1.697 174.196 176.094 -0.336 0.000 1.043 285 V CA -1.106 60.907 62.300 -0.479 0.000 0.906 285 V CB 1.037 32.281 31.823 -0.966 0.000 0.995 285 V HN 0.715 nan 8.190 nan 0.000 0.467 286 P HA 0.309 nan 4.420 nan 0.000 0.237 286 P C -0.339 176.924 177.300 -0.062 0.000 1.723 286 P CA 0.255 63.292 63.100 -0.104 0.000 0.882 286 P CB 0.328 31.984 31.700 -0.074 0.000 1.810 287 A N -0.201 122.600 122.820 -0.031 0.000 2.455 287 A HA 0.773 5.092 4.320 -0.001 0.000 0.300 287 A C -0.126 177.538 177.584 0.132 0.000 1.040 287 A CA -0.477 51.579 52.037 0.031 0.000 0.697 287 A CB 1.719 20.740 19.000 0.034 0.000 1.265 287 A HN 0.309 nan 8.150 nan 0.000 0.407 288 G N -0.550 108.274 108.800 0.040 0.000 3.135 288 G HA2 0.487 4.446 3.960 -0.001 0.000 0.278 288 G HA3 0.487 4.446 3.960 -0.001 0.000 0.278 288 G C 0.345 175.242 174.900 -0.005 0.000 1.302 288 G CA 0.255 45.366 45.100 0.018 0.000 0.880 288 G HN 1.252 nan 8.290 nan 0.000 0.574 289 Y N -1.079 119.241 120.300 0.033 0.000 2.497 289 Y HA 0.325 4.873 4.550 -0.004 0.000 0.292 289 Y C 2.465 178.362 175.900 -0.005 0.000 1.137 289 Y CA 1.001 59.102 58.100 0.002 0.000 1.285 289 Y CB -0.816 37.650 38.460 0.011 0.000 0.991 289 Y HN 0.327 nan 8.280 nan 0.000 0.556 290 A N 0.777 123.610 122.820 0.021 0.000 2.014 290 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 290 A C 1.676 179.270 177.584 0.016 0.000 1.163 290 A CA 1.502 53.567 52.037 0.045 0.000 0.652 290 A CB -0.550 18.426 19.000 -0.040 0.000 0.808 290 A HN 0.538 nan 8.150 nan 0.000 0.449 291 D N -1.587 118.807 120.400 -0.011 0.000 2.349 291 D HA 0.215 4.854 4.640 -0.001 0.000 0.215 291 D C 1.325 177.598 176.300 -0.044 0.000 1.016 291 D CA 1.115 55.097 54.000 -0.030 0.000 0.870 291 D CB 0.458 41.233 40.800 -0.042 0.000 0.917 291 D HN 0.591 nan 8.370 nan 0.000 0.524 292 G N 0.829 109.617 108.800 -0.021 0.000 2.229 292 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.189 292 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.189 292 G C 0.231 175.077 174.900 -0.090 0.000 1.000 292 G CA -0.528 44.541 45.100 -0.052 0.000 0.663 292 G HN 0.170 nan 8.290 nan 0.000 0.493 293 I N 3.272 123.787 120.570 -0.092 0.000 2.421 293 I HA 0.241 4.411 4.170 -0.001 0.000 0.291 293 I C -1.790 174.328 176.117 0.002 0.000 1.089 293 I CA -2.295 58.905 61.300 -0.167 0.000 1.354 293 I CB -0.096 37.805 38.000 -0.165 0.000 1.413 293 I HN -0.019 nan 8.210 nan 0.000 0.513 294 P HA 0.071 nan 4.420 nan 0.000 0.264 294 P C 0.730 178.072 177.300 0.070 0.000 1.193 294 P CA -0.166 62.969 63.100 0.060 0.000 0.763 294 P CB 0.799 32.540 31.700 0.069 0.000 0.810 295 R N 3.361 123.877 120.500 0.027 0.000 2.193 295 R HA -0.125 4.214 4.340 -0.001 0.000 0.229 295 R C 1.185 177.467 176.300 -0.030 0.000 1.110 295 R CA 1.339 57.449 56.100 0.016 0.000 0.988 295 R CB -0.277 29.938 30.300 -0.143 0.000 0.871 295 R HN 0.470 nan 8.270 nan 0.000 0.458 296 N N -0.216 118.455 118.700 -0.049 0.000 2.573 296 N HA -0.074 4.665 4.740 -0.001 0.000 0.187 296 N C 0.816 176.247 175.510 -0.132 0.000 1.107 296 N CA 0.851 53.848 53.050 -0.088 0.000 0.918 296 N CB 0.248 38.690 38.487 -0.076 0.000 0.966 296 N HN 0.199 nan 8.380 nan 0.000 0.448 297 A N -0.391 122.387 122.820 -0.070 0.000 2.337 297 A HA 0.207 4.527 4.320 -0.001 0.000 0.227 297 A C 0.548 178.035 177.584 -0.163 0.000 1.259 297 A CA -0.279 51.680 52.037 -0.130 0.000 0.870 297 A CB 0.110 19.110 19.000 0.000 0.000 0.927 297 A HN 0.057 nan 8.150 nan 0.000 0.497 298 S N 0.306 115.940 115.700 -0.110 0.000 2.629 298 S HA 0.352 4.821 4.470 -0.001 0.000 0.302 298 S C 1.489 176.032 174.600 -0.096 0.000 1.244 298 S CA 1.044 59.193 58.200 -0.085 0.000 1.098 298 S CB 0.062 63.234 63.200 -0.046 0.000 0.858 298 S HN 1.553 nan 8.310 nan 0.000 0.502 299 G N 3.722 112.466 108.800 -0.092 0.000 2.176 299 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.253 299 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.253 299 G C 0.729 175.560 174.900 -0.115 0.000 0.979 299 G CA 0.519 45.577 45.100 -0.069 0.000 0.641 299 G HN 0.636 nan 8.290 nan 0.000 0.530 300 R N -0.246 120.135 120.500 -0.199 0.000 2.573 300 R HA 0.291 4.630 4.340 -0.001 0.000 0.224 300 R C 1.603 177.639 176.300 -0.441 0.000 0.904 300 R CA 0.293 56.241 56.100 -0.253 0.000 0.995 300 R CB 0.319 30.479 30.300 -0.233 0.000 1.430 300 R HN 0.422 nan 8.270 nan 0.000 0.631 301 G N 4.211 112.623 108.800 -0.647 0.000 2.272 301 G HA2 0.127 4.087 3.960 -0.001 0.000 0.247 301 G HA3 0.127 4.087 3.960 -0.001 0.000 0.247 301 G C -2.407 171.948 174.900 -0.907 0.000 1.272 301 G CA -0.485 43.774 45.100 -1.402 0.000 0.921 301 G HN -0.047 nan 8.290 nan 0.000 0.495 302 P HA 0.464 nan 4.420 nan 0.000 0.288 302 P C -0.676 176.705 177.300 0.134 0.000 1.267 302 P CA -0.558 62.382 63.100 -0.267 0.000 0.815 302 P CB 1.979 33.531 31.700 -0.247 0.000 0.989 303 V N 3.082 123.103 119.914 0.177 0.000 2.808 303 V HA 0.295 4.414 4.120 -0.001 0.000 0.308 303 V C -0.273 175.898 176.094 0.128 0.000 1.099 303 V CA -0.892 61.558 62.300 0.250 0.000 0.920 303 V CB 2.074 34.088 31.823 0.318 0.000 1.014 303 V HN 0.414 nan 8.190 nan 0.000 0.425 304 L N 5.661 126.945 121.223 0.102 0.000 2.255 304 L HA 0.807 5.146 4.340 -0.001 0.000 0.289 304 L C -0.701 176.189 176.870 0.034 0.000 1.046 304 L CA 0.419 55.292 54.840 0.055 0.000 0.816 304 L CB 0.993 43.079 42.059 0.045 0.000 1.197 304 L HN 0.509 nan 8.230 nan 0.000 0.427 305 V N 4.357 124.283 119.914 0.021 0.000 2.925 305 V HA 0.662 4.781 4.120 -0.001 0.000 0.311 305 V C 0.752 176.843 176.094 -0.005 0.000 1.104 305 V CA -0.614 61.687 62.300 0.002 0.000 0.954 305 V CB 1.467 33.286 31.823 -0.006 0.000 1.022 305 V HN 0.967 nan 8.190 nan 0.000 0.427 306 A N 2.609 125.421 122.820 -0.014 0.000 2.624 306 A HA 0.027 4.347 4.320 -0.001 0.000 0.302 306 A C 1.830 179.406 177.584 -0.013 0.000 1.504 306 A CA 1.678 53.704 52.037 -0.019 0.000 0.804 306 A CB -1.525 17.456 19.000 -0.033 0.000 1.020 306 A HN 2.873 nan 8.150 nan 0.000 0.444 307 G N -2.313 106.483 108.800 -0.005 0.000 2.184 307 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.264 307 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.264 307 G C 0.085 174.986 174.900 0.002 0.000 0.975 307 G CA 1.161 46.260 45.100 -0.001 0.000 0.642 307 G HN 1.207 nan 8.290 nan 0.000 0.536 308 K N -0.316 120.087 120.400 0.004 0.000 2.482 308 K HA 0.601 4.920 4.320 -0.001 0.000 0.257 308 K C -0.281 176.327 176.600 0.014 0.000 0.969 308 K CA -1.168 55.123 56.287 0.007 0.000 0.842 308 K CB 1.882 34.385 32.500 0.005 0.000 1.359 308 K HN 0.001 nan 8.250 nan 0.000 0.441 309 I N 3.326 123.904 120.570 0.013 0.000 2.416 309 I HA 0.180 4.350 4.170 -0.001 0.000 0.288 309 I C 0.300 176.424 176.117 0.012 0.000 1.051 309 I CA -0.170 61.140 61.300 0.016 0.000 1.375 309 I CB 0.287 38.290 38.000 0.006 0.000 1.407 309 I HN 0.368 nan 8.210 nan 0.000 0.516 310 R N 5.436 125.950 120.500 0.024 0.000 2.778 310 R HA 0.617 4.956 4.340 -0.001 0.000 0.277 310 R C -0.496 175.811 176.300 0.012 0.000 0.977 310 R CA -1.246 54.866 56.100 0.019 0.000 0.950 310 R CB 1.468 31.786 30.300 0.030 0.000 1.165 310 R HN 0.356 nan 8.270 nan 0.000 0.474 311 R N 0.595 121.084 120.500 -0.018 0.000 2.474 311 R HA 0.426 4.765 4.340 -0.001 0.000 0.295 311 R C -0.523 175.756 176.300 -0.035 0.000 0.980 311 R CA -0.737 55.326 56.100 -0.063 0.000 0.934 311 R CB 1.445 31.697 30.300 -0.080 0.000 1.101 311 R HN 0.853 nan 8.270 nan 0.000 0.469 312 A N 2.335 125.130 122.820 -0.042 0.000 2.561 312 A HA 0.337 4.656 4.320 -0.001 0.000 0.251 312 A C 0.009 177.547 177.584 -0.077 0.000 1.062 312 A CA 0.419 52.477 52.037 0.034 0.000 0.761 312 A CB -0.316 18.570 19.000 -0.191 0.000 0.986 312 A HN 0.718 nan 8.150 nan 0.000 0.510 313 A N 3.821 126.565 122.820 -0.128 0.000 2.415 313 A HA 0.607 4.926 4.320 -0.001 0.000 0.309 313 A C 1.276 178.748 177.584 -0.188 0.000 1.356 313 A CA 0.654 52.397 52.037 -0.490 0.000 0.998 313 A CB -1.034 17.467 19.000 -0.832 0.000 1.145 313 A HN 2.877 nan 8.150 nan 0.000 0.545 314 G N 1.704 110.484 108.800 -0.032 0.000 2.593 314 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.237 314 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.237 314 G C -0.038 174.935 174.900 0.122 0.000 1.312 314 G CA -0.193 45.001 45.100 0.157 0.000 0.896 314 G HN 1.017 nan 8.290 nan 0.000 0.574 315 R N -0.303 120.312 120.500 0.191 0.000 2.538 315 R HA 0.426 4.765 4.340 -0.001 0.000 0.282 315 R C 0.737 177.137 176.300 0.166 0.000 1.009 315 R CA 0.151 56.356 56.100 0.176 0.000 1.063 315 R CB -0.189 30.285 30.300 0.289 0.000 0.945 315 R HN 0.451 nan 8.270 nan 0.000 0.414 316 I N 3.160 123.820 120.570 0.150 0.000 2.395 316 I HA 0.268 4.437 4.170 -0.001 0.000 0.289 316 I C 0.657 176.949 176.117 0.292 0.000 1.023 316 I CA -0.232 61.171 61.300 0.171 0.000 1.350 316 I CB 1.492 39.526 38.000 0.057 0.000 1.409 316 I HN 0.666 nan 8.210 nan 0.000 0.507 317 A N 6.001 128.946 122.820 0.207 0.000 2.298 317 A HA 0.420 4.739 4.320 -0.001 0.000 0.302 317 A C 0.983 178.324 177.584 -0.406 0.000 1.177 317 A CA -0.652 51.458 52.037 0.121 0.000 0.912 317 A CB 0.850 19.885 19.000 0.059 0.000 1.331 317 A HN 0.869 nan 8.150 nan 0.000 0.504 318 M N -0.605 118.521 119.600 -0.788 0.000 2.159 318 M HA -0.120 4.360 4.480 -0.001 0.000 0.263 318 M C 0.029 176.034 176.300 -0.492 0.000 1.063 318 M CA 2.189 56.773 55.300 -1.193 0.000 1.110 318 M CB -0.131 32.092 32.600 -0.629 0.000 1.374 318 M HN 0.737 nan 8.290 nan 0.000 0.411 319 D N -0.476 119.781 120.400 -0.238 0.000 2.500 319 D HA 0.100 4.739 4.640 -0.001 0.000 0.217 319 D C 0.078 176.344 176.300 -0.057 0.000 1.159 319 D CA 0.087 54.016 54.000 -0.119 0.000 0.828 319 D CB 0.601 41.352 40.800 -0.081 0.000 1.039 319 D HN 0.555 nan 8.370 nan 0.000 0.512 320 Q N 0.283 120.069 119.800 -0.022 0.000 2.907 320 Q HA 0.441 4.780 4.340 -0.001 0.000 0.310 320 Q C -1.717 174.385 176.000 0.170 0.000 0.861 320 Q CA -1.032 54.787 55.803 0.027 0.000 0.769 320 Q CB 1.411 30.117 28.738 -0.055 0.000 1.465 320 Q HN 0.001 nan 8.270 nan 0.000 0.449 321 F N -1.440 118.487 119.950 -0.038 0.000 2.719 321 F HA 0.768 5.294 4.527 -0.002 0.000 0.309 321 F C -1.711 174.071 175.800 -0.030 0.000 1.138 321 F CA -0.926 57.060 58.000 -0.022 0.000 0.943 321 F CB 1.239 40.255 39.000 0.026 0.000 1.304 321 F HN 0.578 nan 8.300 nan 0.000 0.445 322 V N 1.649 121.611 119.914 0.080 0.000 2.769 322 V HA 0.915 5.034 4.120 -0.001 0.000 0.312 322 V C -1.786 174.310 176.094 0.002 0.000 1.058 322 V CA -0.752 61.508 62.300 -0.066 0.000 0.952 322 V CB 1.685 33.481 31.823 -0.044 0.000 1.019 322 V HN 0.983 nan 8.190 nan 0.000 0.445 323 V N 3.518 123.386 119.914 -0.076 0.000 2.656 323 V HA 0.484 4.603 4.120 -0.001 0.000 0.307 323 V C -1.082 174.980 176.094 -0.053 0.000 1.051 323 V CA -0.463 61.813 62.300 -0.041 0.000 0.893 323 V CB 1.903 33.716 31.823 -0.016 0.000 0.999 323 V HN 1.124 nan 8.190 nan 0.000 0.426 324 D N 4.630 124.993 120.400 -0.062 0.000 2.313 324 D HA 0.279 4.918 4.640 -0.001 0.000 0.239 324 D C 0.675 176.997 176.300 0.037 0.000 1.142 324 D CA -0.070 53.934 54.000 0.008 0.000 0.847 324 D CB 1.500 42.333 40.800 0.056 0.000 1.082 324 D HN 0.460 nan 8.370 nan 0.000 0.480 325 L N 3.306 124.562 121.223 0.055 0.000 2.591 325 L HA 0.233 4.572 4.340 -0.001 0.000 0.228 325 L C 1.829 178.743 176.870 0.074 0.000 1.133 325 L CA 0.165 55.034 54.840 0.048 0.000 0.880 325 L CB -0.601 41.472 42.059 0.023 0.000 1.033 325 L HN 0.680 nan 8.230 nan 0.000 0.450 326 G N 1.237 110.107 108.800 0.116 0.000 2.591 326 G HA2 -0.441 3.518 3.960 -0.001 0.000 0.298 326 G HA3 -0.441 3.518 3.960 -0.001 0.000 0.298 326 G C 0.667 175.694 174.900 0.211 0.000 1.195 326 G CA 0.791 45.968 45.100 0.128 0.000 0.989 326 G HN 0.318 nan 8.290 nan 0.000 0.551 327 E N 0.927 121.203 120.200 0.128 0.000 2.299 327 E HA 0.140 4.490 4.350 -0.001 0.000 0.193 327 E C 0.675 177.238 176.600 -0.062 0.000 0.998 327 E CA 0.531 57.000 56.400 0.114 0.000 0.851 327 E CB -0.018 29.721 29.700 0.064 0.000 0.795 327 E HN 0.498 nan 8.360 nan 0.000 0.492 328 D N 0.105 120.463 120.400 -0.070 0.000 2.390 328 D HA 0.035 4.674 4.640 -0.001 0.000 0.236 328 D C -0.155 175.967 176.300 -0.296 0.000 1.189 328 D CA 0.642 54.562 54.000 -0.133 0.000 0.887 328 D CB 0.723 41.484 40.800 -0.066 0.000 1.198 328 D HN 0.064 nan 8.370 nan 0.000 0.444 329 L N 0.369 121.448 121.223 -0.241 0.000 2.354 329 L HA 0.736 5.075 4.340 -0.001 0.000 0.269 329 L C -0.073 176.718 176.870 -0.133 0.000 1.005 329 L CA -0.493 54.190 54.840 -0.263 0.000 0.819 329 L CB 1.911 43.834 42.059 -0.225 0.000 1.311 329 L HN 0.514 nan 8.230 nan 0.000 0.423 330 A N 1.690 124.448 122.820 -0.102 0.000 2.599 330 A HA 0.793 5.113 4.320 -0.001 0.000 0.290 330 A C -1.811 175.747 177.584 -0.043 0.000 1.101 330 A CA -0.608 51.394 52.037 -0.060 0.000 0.674 330 A CB 1.871 20.840 19.000 -0.050 0.000 1.277 330 A HN 0.683 nan 8.150 nan 0.000 0.419 331 E N 0.303 120.483 120.200 -0.032 0.000 2.393 331 E HA 0.697 5.046 4.350 -0.001 0.000 0.273 331 E C -0.137 176.448 176.600 -0.024 0.000 0.918 331 E CA -0.845 55.541 56.400 -0.024 0.000 0.773 331 E CB 1.988 31.677 29.700 -0.019 0.000 1.275 331 E HN 1.378 nan 8.360 nan 0.000 0.451 332 A N 0.618 123.424 122.820 -0.023 0.000 2.567 332 A HA 0.395 4.715 4.320 -0.001 0.000 0.240 332 A C 1.253 178.824 177.584 -0.021 0.000 1.053 332 A CA 1.113 53.135 52.037 -0.025 0.000 0.755 332 A CB -0.906 18.081 19.000 -0.023 0.000 0.978 332 A HN 1.310 nan 8.150 nan 0.000 0.507 333 G N 2.107 110.894 108.800 -0.022 0.000 2.259 333 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.217 333 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.217 333 G C 0.031 174.925 174.900 -0.010 0.000 1.001 333 G CA 0.231 45.323 45.100 -0.014 0.000 0.627 333 G HN 0.805 nan 8.290 nan 0.000 0.501 334 D N 1.143 121.534 120.400 -0.016 0.000 2.368 334 D HA 0.439 5.078 4.640 -0.001 0.000 0.240 334 D C 0.639 176.932 176.300 -0.012 0.000 1.169 334 D CA 0.218 54.210 54.000 -0.014 0.000 0.906 334 D CB 0.928 41.716 40.800 -0.021 0.000 1.187 334 D HN 0.588 nan 8.370 nan 0.000 0.435 335 E N -0.219 119.979 120.200 -0.004 0.000 2.266 335 E HA 0.521 4.870 4.350 -0.001 0.000 0.277 335 E C -1.502 175.089 176.600 -0.015 0.000 1.018 335 E CA -0.862 55.537 56.400 -0.002 0.000 0.840 335 E CB 0.898 30.605 29.700 0.012 0.000 1.082 335 E HN 0.375 nan 8.360 nan 0.000 0.395 336 A N 3.818 126.623 122.820 -0.025 0.000 2.356 336 A HA 0.471 4.790 4.320 -0.001 0.000 0.310 336 A C -1.228 176.343 177.584 -0.023 0.000 1.075 336 A CA -0.732 51.293 52.037 -0.019 0.000 0.746 336 A CB 1.632 20.613 19.000 -0.032 0.000 1.221 336 A HN 0.424 nan 8.150 nan 0.000 0.443 337 V N 4.618 124.533 119.914 0.002 0.000 2.350 337 V HA 0.211 4.330 4.120 -0.001 0.000 0.276 337 V C 0.879 177.008 176.094 0.059 0.000 1.028 337 V CA 0.042 62.339 62.300 -0.006 0.000 0.860 337 V CB 0.824 32.647 31.823 -0.001 0.000 0.990 337 V HN 0.921 nan 8.190 nan 0.000 0.453 338 I N 4.930 125.518 120.570 0.030 0.000 2.339 338 I HA 0.068 4.237 4.170 -0.001 0.000 0.245 338 I C 0.360 176.548 176.117 0.118 0.000 1.096 338 I CA 1.206 62.565 61.300 0.098 0.000 1.408 338 I CB 0.270 38.217 38.000 -0.087 0.000 1.092 338 I HN 0.576 nan 8.210 nan 0.000 0.423 339 L N -1.728 119.479 121.223 -0.027 0.000 2.482 339 L HA 0.940 5.280 4.340 -0.001 0.000 0.263 339 L C -0.606 176.256 176.870 -0.013 0.000 0.957 339 L CA -0.298 54.549 54.840 0.012 0.000 0.836 339 L CB 1.673 43.673 42.059 -0.098 0.000 1.324 339 L HN 0.012 nan 8.230 nan 0.000 0.406 340 G N 0.781 109.599 108.800 0.031 0.000 2.899 340 G HA2 0.265 4.224 3.960 -0.001 0.000 0.137 340 G HA3 0.265 4.224 3.960 -0.001 0.000 0.137 340 G C -1.732 173.189 174.900 0.035 0.000 1.198 340 G CA -0.132 44.976 45.100 0.015 0.000 1.126 340 G HN 0.655 nan 8.290 nan 0.000 0.589 341 D N 0.849 121.267 120.400 0.029 0.000 2.329 341 D HA 0.576 5.215 4.640 -0.001 0.000 0.232 341 D C 1.310 177.630 176.300 0.032 0.000 1.088 341 D CA 0.164 54.183 54.000 0.032 0.000 0.835 341 D CB 1.624 42.439 40.800 0.025 0.000 1.078 341 D HN 0.444 nan 8.370 nan 0.000 0.495 342 A N 3.904 126.745 122.820 0.035 0.000 2.076 342 A HA -0.186 4.134 4.320 -0.001 0.000 0.220 342 A C 1.819 179.418 177.584 0.024 0.000 1.160 342 A CA 1.329 53.385 52.037 0.032 0.000 0.653 342 A CB -0.217 18.802 19.000 0.031 0.000 0.801 342 A HN 0.594 nan 8.150 nan 0.000 0.455 343 E N -0.331 119.882 120.200 0.022 0.000 2.204 343 E HA -0.043 4.306 4.350 -0.001 0.000 0.194 343 E C 1.979 178.589 176.600 0.017 0.000 0.989 343 E CA 0.804 57.215 56.400 0.018 0.000 0.824 343 E CB -0.098 29.612 29.700 0.017 0.000 0.756 343 E HN 0.563 nan 8.360 nan 0.000 0.477 344 R N -1.432 119.079 120.500 0.019 0.000 2.310 344 R HA 0.144 4.483 4.340 -0.001 0.000 0.202 344 R C 0.665 176.975 176.300 0.017 0.000 0.933 344 R CA 0.575 56.685 56.100 0.017 0.000 1.054 344 R CB 0.446 30.756 30.300 0.016 0.000 0.985 344 R HN 0.241 nan 8.270 nan 0.000 0.489 345 G N 1.387 110.199 108.800 0.020 0.000 2.137 345 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.237 345 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.237 345 G C -0.330 174.585 174.900 0.026 0.000 1.002 345 G CA 0.046 45.158 45.100 0.020 0.000 0.702 345 G HN 0.392 nan 8.290 nan 0.000 0.515 346 E N 0.422 120.641 120.200 0.032 0.000 2.232 346 E HA 0.555 4.905 4.350 -0.001 0.000 0.265 346 E C -2.413 174.225 176.600 0.063 0.000 1.001 346 E CA -2.173 54.254 56.400 0.044 0.000 0.870 346 E CB 1.284 31.008 29.700 0.039 0.000 1.175 346 E HN 0.173 nan 8.360 nan 0.000 0.407 347 P HA 0.042 nan 4.420 nan 0.000 0.274 347 P C -0.628 176.768 177.300 0.161 0.000 1.237 347 P CA -0.263 62.914 63.100 0.129 0.000 0.793 347 P CB 0.747 32.567 31.700 0.200 0.000 0.977 348 T N -2.790 111.866 114.554 0.170 0.000 2.883 348 T HA 0.632 4.981 4.350 -0.001 0.000 0.284 348 T C 1.177 176.014 174.700 0.229 0.000 1.041 348 T CA -0.236 61.960 62.100 0.159 0.000 1.007 348 T CB 0.928 69.855 68.868 0.100 0.000 1.220 348 T HN 0.196 nan 8.240 nan 0.000 0.552 349 A N 0.103 123.014 122.820 0.153 0.000 1.902 349 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 349 A C 2.206 179.896 177.584 0.175 0.000 1.181 349 A CA 2.137 54.264 52.037 0.150 0.000 0.623 349 A CB -1.238 17.818 19.000 0.094 0.000 0.818 349 A HN 0.926 nan 8.150 nan 0.000 0.443 350 E N 0.699 120.976 120.200 0.130 0.000 2.072 350 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 350 E C 1.387 178.050 176.600 0.104 0.000 0.985 350 E CA 1.552 58.016 56.400 0.107 0.000 0.801 350 E CB -0.345 29.399 29.700 0.074 0.000 0.750 350 E HN 0.534 nan 8.360 nan 0.000 0.452 351 D N -0.569 119.890 120.400 0.097 0.000 2.133 351 D HA -0.191 4.448 4.640 -0.001 0.000 0.195 351 D C 1.623 177.896 176.300 -0.044 0.000 0.997 351 D CA 1.111 55.119 54.000 0.014 0.000 0.840 351 D CB -0.560 40.237 40.800 -0.004 0.000 0.947 351 D HN 0.362 nan 8.370 nan 0.000 0.452 352 W N 1.273 122.572 121.300 -0.002 0.000 2.436 352 W HA 0.126 4.785 4.660 -0.002 0.000 0.284 352 W C 2.544 179.060 176.519 -0.005 0.000 1.225 352 W CA 0.926 58.260 57.345 -0.018 0.000 1.271 352 W CB -0.323 29.121 29.460 -0.026 0.000 1.114 352 W HN -0.066 nan 8.180 nan 0.000 0.559 353 A N -0.097 122.854 122.820 0.217 0.000 1.902 353 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 353 A C 1.985 179.642 177.584 0.122 0.000 1.181 353 A CA 1.478 53.611 52.037 0.160 0.000 0.623 353 A CB -0.600 18.486 19.000 0.143 0.000 0.818 353 A HN 0.294 nan 8.150 nan 0.000 0.443 354 Q N -0.479 119.373 119.800 0.085 0.000 2.046 354 Q HA -0.112 4.227 4.340 -0.001 0.000 0.200 354 Q C 2.458 178.505 176.000 0.079 0.000 0.975 354 Q CA 1.495 57.349 55.803 0.084 0.000 0.836 354 Q CB -0.628 28.131 28.738 0.036 0.000 0.896 354 Q HN 0.644 nan 8.270 nan 0.000 0.428 355 A N 1.356 124.138 122.820 -0.063 0.000 1.940 355 A HA -0.048 4.271 4.320 -0.001 0.000 0.219 355 A C 2.099 179.534 177.584 -0.249 0.000 1.176 355 A CA 1.765 53.684 52.037 -0.197 0.000 0.631 355 A CB -0.424 18.332 19.000 -0.407 0.000 0.814 355 A HN 0.352 nan 8.150 nan 0.000 0.446 356 A N -2.043 120.717 122.820 -0.100 0.000 2.379 356 A HA 0.365 4.684 4.320 -0.001 0.000 0.236 356 A C 0.459 178.027 177.584 -0.026 0.000 1.272 356 A CA 0.214 52.192 52.037 -0.098 0.000 0.886 356 A CB -0.456 18.576 19.000 0.055 0.000 0.962 356 A HN 0.564 nan 8.150 nan 0.000 0.504 357 H N -0.263 118.815 119.070 0.013 0.000 2.692 357 H HA -0.128 4.427 4.556 -0.002 0.000 0.316 357 H C 0.435 175.779 175.328 0.026 0.000 1.176 357 H CA 1.253 57.309 56.048 0.013 0.000 1.142 357 H CB -2.051 27.712 29.762 0.001 0.000 1.475 357 H HN 0.527 nan 8.280 nan 0.000 0.423 358 T N -1.625 113.022 114.554 0.154 0.000 2.590 358 T HA 0.738 5.087 4.350 -0.001 0.000 0.282 358 T C -0.177 174.596 174.700 0.122 0.000 0.989 358 T CA -0.233 61.936 62.100 0.116 0.000 1.091 358 T CB 1.395 70.323 68.868 0.099 0.000 1.460 358 T HN 0.339 nan 8.240 nan 0.000 0.499 359 I N -0.079 120.571 120.570 0.133 0.000 2.693 359 I HA 0.800 4.969 4.170 -0.001 0.000 0.303 359 I C 1.406 177.642 176.117 0.197 0.000 1.025 359 I CA -1.174 60.231 61.300 0.176 0.000 1.086 359 I CB 1.730 39.862 38.000 0.221 0.000 1.268 359 I HN 0.653 nan 8.210 nan 0.000 0.440 360 A N 3.359 126.290 122.820 0.187 0.000 1.986 360 A HA -0.189 4.131 4.320 -0.001 0.000 0.220 360 A C 1.915 179.589 177.584 0.150 0.000 1.171 360 A CA 1.591 53.710 52.037 0.137 0.000 0.640 360 A CB -1.126 17.919 19.000 0.076 0.000 0.811 360 A HN 0.890 nan 8.150 nan 0.000 0.451 361 Y N -0.483 119.887 120.300 0.116 0.000 2.114 361 Y HA -0.244 4.305 4.550 -0.002 0.000 0.282 361 Y C 2.522 178.448 175.900 0.043 0.000 1.165 361 Y CA 2.054 60.222 58.100 0.114 0.000 1.148 361 Y CB -0.154 38.363 38.460 0.095 0.000 0.972 361 Y HN 0.494 nan 8.280 nan 0.000 0.504 362 E N -0.186 120.137 120.200 0.206 0.000 2.216 362 E HA -0.142 4.207 4.350 -0.001 0.000 0.192 362 E C 1.921 178.556 176.600 0.059 0.000 0.988 362 E CA 0.579 57.035 56.400 0.094 0.000 0.834 362 E CB 0.040 29.785 29.700 0.075 0.000 0.772 362 E HN 0.318 nan 8.360 nan 0.000 0.479 363 I N 1.264 121.881 120.570 0.077 0.000 2.113 363 I HA -0.226 3.944 4.170 -0.001 0.000 0.238 363 I C 2.743 178.848 176.117 -0.020 0.000 1.070 363 I CA 1.109 62.428 61.300 0.033 0.000 1.332 363 I CB -1.526 36.516 38.000 0.069 0.000 1.044 363 I HN 0.173 nan 8.210 nan 0.000 0.402 364 V N -1.550 118.372 119.914 0.012 0.000 2.427 364 V HA -0.183 3.936 4.120 -0.001 0.000 0.248 364 V C 2.341 178.408 176.094 -0.046 0.000 1.051 364 V CA 2.092 64.377 62.300 -0.023 0.000 1.048 364 V CB -1.721 30.161 31.823 0.098 0.000 0.666 364 V HN 0.312 nan 8.190 nan 0.000 0.456 365 T N 0.407 114.959 114.554 -0.003 0.000 2.777 365 T HA -0.043 4.306 4.350 -0.001 0.000 0.266 365 T C 1.795 176.463 174.700 -0.053 0.000 1.040 365 T CA 1.521 63.598 62.100 -0.038 0.000 1.141 365 T CB -0.307 68.510 68.868 -0.085 0.000 0.868 365 T HN 0.472 nan 8.240 nan 0.000 0.444 366 R N 0.887 121.359 120.500 -0.046 0.000 2.363 366 R HA 0.171 4.510 4.340 -0.001 0.000 0.236 366 R C -0.209 176.055 176.300 -0.060 0.000 0.966 366 R CA -0.061 56.012 56.100 -0.044 0.000 1.100 366 R CB -0.199 30.084 30.300 -0.028 0.000 1.125 366 R HN 0.313 nan 8.270 nan 0.000 0.514 367 I N 1.782 122.298 120.570 -0.089 0.000 2.587 367 I HA -0.005 4.164 4.170 -0.001 0.000 0.284 367 I C 1.470 177.541 176.117 -0.076 0.000 1.134 367 I CA -0.022 61.213 61.300 -0.109 0.000 1.410 367 I CB -0.056 37.850 38.000 -0.157 0.000 1.392 367 I HN 0.113 nan 8.210 nan 0.000 0.545 368 G N 4.628 113.393 108.800 -0.058 0.000 2.732 368 G HA2 0.229 4.188 3.960 -0.001 0.000 0.244 368 G HA3 0.229 4.188 3.960 -0.001 0.000 0.244 368 G C 1.051 175.931 174.900 -0.032 0.000 1.226 368 G CA 0.010 45.089 45.100 -0.036 0.000 0.860 368 G HN 0.837 nan 8.290 nan 0.000 0.583 369 G N -0.853 107.936 108.800 -0.019 0.000 2.572 369 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.216 369 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.216 369 G C 1.614 176.508 174.900 -0.010 0.000 1.133 369 G CA 0.369 45.462 45.100 -0.012 0.000 0.791 369 G HN 0.569 nan 8.290 nan 0.000 0.538 370 R N -0.188 120.304 120.500 -0.013 0.000 2.285 370 R HA 0.069 4.408 4.340 -0.001 0.000 0.213 370 R C 0.010 176.303 176.300 -0.013 0.000 1.068 370 R CA 0.108 56.201 56.100 -0.012 0.000 1.004 370 R CB -0.001 30.290 30.300 -0.015 0.000 0.873 370 R HN 0.180 nan 8.270 nan 0.000 0.467 371 V N 4.071 123.973 119.914 -0.020 0.000 2.364 371 V HA 0.252 4.371 4.120 -0.001 0.000 0.272 371 V C -2.031 174.057 176.094 -0.012 0.000 1.036 371 V CA -1.894 60.394 62.300 -0.020 0.000 0.880 371 V CB 1.165 32.958 31.823 -0.051 0.000 0.991 371 V HN 0.157 nan 8.190 nan 0.000 0.460 372 P HA 0.373 nan 4.420 nan 0.000 0.275 372 P C -0.732 176.564 177.300 -0.006 0.000 1.228 372 P CA -0.644 62.462 63.100 0.010 0.000 0.786 372 P CB 1.026 32.733 31.700 0.011 0.000 0.927 373 R N 1.124 121.589 120.500 -0.058 0.000 2.393 373 R HA 0.544 4.883 4.340 -0.001 0.000 0.310 373 R C -0.801 175.315 176.300 -0.307 0.000 0.968 373 R CA -0.763 55.206 56.100 -0.219 0.000 0.867 373 R CB 1.232 31.356 30.300 -0.293 0.000 1.124 373 R HN 0.220 nan 8.270 nan 0.000 0.450 374 V N 4.634 124.347 119.914 -0.334 0.000 2.448 374 V HA 0.402 4.521 4.120 -0.001 0.000 0.295 374 V C -0.968 174.864 176.094 -0.437 0.000 1.025 374 V CA -0.833 61.317 62.300 -0.250 0.000 0.859 374 V CB 1.292 33.073 31.823 -0.071 0.000 0.988 374 V HN 0.621 nan 8.190 nan 0.000 0.431 375 Y N 5.093 125.329 120.300 -0.107 0.000 2.328 375 Y HA 0.690 5.239 4.550 -0.002 0.000 0.337 375 Y C 0.105 175.777 175.900 -0.379 0.000 1.008 375 Y CA -0.606 57.341 58.100 -0.255 0.000 1.129 375 Y CB 1.335 39.558 38.460 -0.395 0.000 1.185 375 Y HN 0.449 nan 8.280 nan 0.000 0.476 376 L N 2.671 123.840 121.223 -0.089 0.000 2.330 376 L HA 0.891 5.230 4.340 -0.001 0.000 0.271 376 L C 0.773 177.642 176.870 -0.002 0.000 1.013 376 L CA -0.852 53.954 54.840 -0.057 0.000 0.816 376 L CB 1.498 43.556 42.059 -0.001 0.000 1.287 376 L HN 0.870 nan 8.230 nan 0.000 0.435 377 G N 0.989 109.820 108.800 0.051 0.000 2.569 377 G HA2 0.194 4.153 3.960 -0.001 0.000 0.259 377 G HA3 0.194 4.153 3.960 -0.001 0.000 0.259 377 G C 0.343 175.350 174.900 0.179 0.000 1.263 377 G CA -0.070 45.089 45.100 0.099 0.000 0.928 377 G HN 1.631 nan 8.290 nan 0.000 0.572 378 G N -1.804 107.081 108.800 0.142 0.000 2.641 378 G HA2 0.101 4.060 3.960 -0.001 0.000 0.254 378 G HA3 0.101 4.060 3.960 -0.001 0.000 0.254 378 G C 0.179 175.106 174.900 0.046 0.000 1.315 378 G CA 0.324 45.527 45.100 0.171 0.000 0.907 378 G HN 1.611 nan 8.290 nan 0.000 0.572 379 L N 0.327 121.414 121.223 -0.226 0.000 2.343 379 L HA 0.404 4.743 4.340 -0.001 0.000 0.275 379 L C 1.753 178.311 176.870 -0.520 0.000 1.056 379 L CA -0.232 54.341 54.840 -0.444 0.000 0.804 379 L CB 1.544 43.164 42.059 -0.732 0.000 1.203 379 L HN 0.973 nan 8.230 nan 0.000 0.440 380 E N 1.132 121.102 120.200 -0.382 0.000 2.065 380 E HA -0.328 4.022 4.350 -0.001 0.000 0.201 380 E C 1.715 177.843 176.600 -0.787 0.000 1.016 380 E CA 2.378 58.463 56.400 -0.525 0.000 0.818 380 E CB -0.002 29.542 29.700 -0.261 0.000 0.749 380 E HN 0.835 nan 8.360 nan 0.000 0.453 381 H N -1.763 116.931 119.070 -0.627 0.000 2.560 381 H HA -0.060 4.495 4.556 -0.001 0.000 0.283 381 H C 1.626 176.735 175.328 -0.366 0.000 1.028 381 H CA 1.403 57.068 56.048 -0.637 0.000 1.221 381 H CB -0.152 29.411 29.762 -0.332 0.000 1.363 381 H HN 0.247 nan 8.280 nan 0.000 0.594 382 H N 1.099 119.628 119.070 -0.900 0.000 2.326 382 H HA -0.069 4.486 4.556 -0.001 0.000 0.301 382 H C 0.916 176.059 175.328 -0.309 0.000 1.081 382 H CA 1.669 57.366 56.048 -0.585 0.000 1.334 382 H CB -0.565 28.980 29.762 -0.363 0.000 1.385 382 H HN 0.909 nan 8.280 nan 0.000 0.504 383 H N -1.353 117.634 119.070 -0.137 0.000 2.708 383 H HA 0.114 4.669 4.556 -0.002 0.000 0.309 383 H C 0.832 176.217 175.328 0.095 0.000 1.084 383 H CA -0.099 55.853 56.048 -0.159 0.000 1.165 383 H CB -0.039 29.684 29.762 -0.066 0.000 1.388 383 H HN 0.215 nan 8.280 nan 0.000 0.553 384 H N 0.050 119.171 119.070 0.084 0.000 2.548 384 H HA 0.115 4.670 4.556 -0.002 0.000 0.268 384 H C 0.150 175.644 175.328 0.277 0.000 0.975 384 H CA 0.270 56.433 56.048 0.192 0.000 1.195 384 H CB 0.249 30.159 29.762 0.248 0.000 1.397 384 H HN 0.529 nan 8.280 nan 0.000 0.572 385 H N 0.000 119.127 119.070 0.095 0.000 2.539 385 H HA 0.000 4.555 4.556 -0.002 0.000 0.296 385 H CA 0.000 56.076 56.048 0.046 0.000 1.023 385 H CB 0.000 29.780 29.762 0.030 0.000 1.292 385 H HN 0.000 nan 8.280 nan 0.000 0.496