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 1vft_1_A DATA FIRST_RESID 4 DATA SEQUENCE TPTRVYAEID LDAVRANVRA LRARAPRSAL MAVVKSNAYG HGAVPCARAA DATA SEQUENCE QEAGAAWLGT ATPEEALELR AAGIQGRIMC WLWTPGGPWR EAIETDIDVS DATA SEQUENCE VSGMWALDEV RAAARAAGRT ARIQLXADTG LGRNGCQPAD WAELVGAAVA DATA SEQUENCE AQAEGTVQVT GVWSHFACAD EPGHPSIRLQ LDAFRDMLAY AEKEGVDPEV DATA SEQUENCE RHIANSPATL TLPETHFDLV RTGLAVYGVS PSPELGTPAQ LGLRPAMTLR DATA SEQUENCE ASLALVKTVP AGHGVSYGHH YVTESETHLA LVPAGYADGI PRNASGRGPV DATA SEQUENCE LVAGKIRRAA GRIAMDQFVV DLGEDLAEAG DEAVILGDAE RGEPTAEDWA DATA SEQUENCE QAAHTIAYEI VTRIGGRVPR VYLGGLEHHH HH 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.559 174.700 -0.235 0.000 1.109 4 T CA 0.000 61.946 62.100 -0.256 0.000 1.349 4 T CB 0.000 68.683 68.868 -0.308 0.000 0.612 5 P HA 0.177 nan 4.420 nan 0.000 0.264 5 P C 1.224 178.504 177.300 -0.033 0.000 1.179 5 P CA 0.140 63.160 63.100 -0.134 0.000 0.763 5 P CB 0.561 32.216 31.700 -0.074 0.000 0.806 6 T N -0.809 113.746 114.554 0.001 0.000 3.044 6 T HA 0.064 4.414 4.350 -0.001 0.000 0.255 6 T C 1.619 176.340 174.700 0.036 0.000 1.073 6 T CA 0.307 62.416 62.100 0.015 0.000 1.125 6 T CB 0.162 69.027 68.868 -0.005 0.000 0.908 6 T HN 0.227 nan 8.240 nan 0.000 0.480 7 R N -0.004 120.520 120.500 0.041 0.000 2.039 7 R HA 0.540 4.880 4.340 -0.001 0.000 0.218 7 R C -0.016 176.307 176.300 0.038 0.000 1.220 7 R CA 0.519 56.633 56.100 0.023 0.000 0.993 7 R CB 0.150 30.454 30.300 0.005 0.000 0.881 7 R HN 0.288 nan 8.270 nan 0.000 0.450 8 V N -0.176 119.779 119.914 0.068 0.000 3.178 8 V HA 0.501 4.620 4.120 -0.001 0.000 0.302 8 V C -2.070 174.102 176.094 0.130 0.000 1.262 8 V CA -0.733 61.586 62.300 0.032 0.000 1.030 8 V CB 2.141 33.940 31.823 -0.041 0.000 1.074 8 V HN 0.474 nan 8.190 nan 0.000 0.438 9 Y N 2.308 122.566 120.300 -0.070 0.000 2.702 9 Y HA 0.909 5.458 4.550 -0.001 0.000 0.336 9 Y C -0.912 174.924 175.900 -0.107 0.000 1.203 9 Y CA -0.600 57.449 58.100 -0.085 0.000 1.072 9 Y CB 1.032 39.446 38.460 -0.077 0.000 1.327 9 Y HN 1.114 nan 8.280 nan 0.000 0.456 10 A N 1.653 124.469 122.820 -0.005 0.000 2.343 10 A HA 0.618 4.938 4.320 -0.001 0.000 0.316 10 A C -1.158 176.389 177.584 -0.062 0.000 1.104 10 A CA -0.586 51.370 52.037 -0.134 0.000 0.768 10 A CB 1.332 20.225 19.000 -0.178 0.000 1.213 10 A HN 0.805 nan 8.150 nan 0.000 0.456 11 E N 3.499 123.648 120.200 -0.085 0.000 2.158 11 E HA 0.481 4.831 4.350 -0.001 0.000 0.271 11 E C -1.281 175.236 176.600 -0.138 0.000 0.911 11 E CA -0.591 55.760 56.400 -0.080 0.000 0.767 11 E CB 0.842 30.570 29.700 0.047 0.000 1.120 11 E HN 0.477 nan 8.360 nan 0.000 0.405 12 I N 3.927 124.360 120.570 -0.228 0.000 2.321 12 I HA 0.155 4.325 4.170 -0.001 0.000 0.291 12 I C -0.152 175.980 176.117 0.024 0.000 0.998 12 I CA -0.639 60.611 61.300 -0.083 0.000 1.227 12 I CB 1.114 39.069 38.000 -0.075 0.000 1.368 12 I HN 0.639 nan 8.210 nan 0.000 0.466 13 D N 6.523 126.965 120.400 0.069 0.000 2.468 13 D HA 0.108 4.748 4.640 -0.001 0.000 0.218 13 D C 0.999 177.357 176.300 0.098 0.000 1.155 13 D CA -0.404 53.636 54.000 0.068 0.000 0.924 13 D CB 0.865 41.698 40.800 0.054 0.000 1.029 13 D HN 0.220 nan 8.370 nan 0.000 0.515 14 L N 3.005 124.291 121.223 0.106 0.000 2.261 14 L HA -0.117 4.223 4.340 -0.001 0.000 0.216 14 L C 1.628 178.548 176.870 0.085 0.000 1.114 14 L CA 1.327 56.234 54.840 0.111 0.000 0.777 14 L CB -0.324 41.806 42.059 0.119 0.000 0.910 14 L HN 0.407 nan 8.230 nan 0.000 0.440 15 D N -1.082 119.359 120.400 0.069 0.000 2.234 15 D HA -0.024 4.616 4.640 -0.001 0.000 0.205 15 D C 2.152 178.475 176.300 0.038 0.000 0.962 15 D CA 1.117 55.148 54.000 0.052 0.000 0.855 15 D CB 0.276 41.103 40.800 0.045 0.000 0.951 15 D HN 0.332 nan 8.370 nan 0.000 0.500 16 A N 0.720 123.566 122.820 0.042 0.000 1.930 16 A HA -0.086 4.234 4.320 -0.001 0.000 0.217 16 A C 2.490 180.079 177.584 0.010 0.000 1.175 16 A CA 0.811 52.866 52.037 0.030 0.000 0.627 16 A CB -0.532 18.496 19.000 0.047 0.000 0.815 16 A HN 0.103 nan 8.150 nan 0.000 0.443 17 V N -0.093 119.834 119.914 0.022 0.000 2.270 17 V HA -0.224 3.895 4.120 -0.001 0.000 0.245 17 V C 2.620 178.690 176.094 -0.040 0.000 1.043 17 V CA 2.103 64.390 62.300 -0.021 0.000 1.014 17 V CB -0.770 31.064 31.823 0.020 0.000 0.645 17 V HN 0.546 nan 8.190 nan 0.000 0.447 18 R N -0.183 120.315 120.500 -0.004 0.000 2.117 18 R HA -0.193 4.147 4.340 -0.001 0.000 0.243 18 R C 2.240 178.533 176.300 -0.012 0.000 1.143 18 R CA 1.715 57.814 56.100 -0.001 0.000 0.968 18 R CB -0.398 29.921 30.300 0.031 0.000 0.863 18 R HN 0.545 nan 8.270 nan 0.000 0.444 19 A N 0.724 123.539 122.820 -0.010 0.000 1.970 19 A HA -0.095 4.225 4.320 -0.001 0.000 0.216 19 A C 1.690 179.255 177.584 -0.031 0.000 1.170 19 A CA 0.957 52.986 52.037 -0.013 0.000 0.645 19 A CB -0.264 18.734 19.000 -0.003 0.000 0.816 19 A HN 0.294 nan 8.150 nan 0.000 0.447 20 N N 0.453 119.123 118.700 -0.051 0.000 2.106 20 N HA -0.149 4.591 4.740 -0.001 0.000 0.188 20 N C 1.988 177.446 175.510 -0.087 0.000 1.029 20 N CA 1.973 54.977 53.050 -0.077 0.000 0.848 20 N CB -0.709 37.706 38.487 -0.119 0.000 1.007 20 N HN 0.500 nan 8.380 nan 0.000 0.423 21 V N 0.018 119.875 119.914 -0.095 0.000 2.427 21 V HA -0.080 4.039 4.120 -0.001 0.000 0.248 21 V C 2.181 178.242 176.094 -0.054 0.000 1.051 21 V CA 1.351 63.598 62.300 -0.087 0.000 1.048 21 V CB -0.452 31.318 31.823 -0.087 0.000 0.666 21 V HN 0.110 nan 8.190 nan 0.000 0.456 22 R N 0.368 120.846 120.500 -0.038 0.000 2.152 22 R HA 0.008 4.347 4.340 -0.001 0.000 0.232 22 R C 2.453 178.741 176.300 -0.022 0.000 1.117 22 R CA 1.457 57.544 56.100 -0.022 0.000 0.981 22 R CB -0.530 29.763 30.300 -0.012 0.000 0.870 22 R HN 0.693 nan 8.270 nan 0.000 0.451 23 A N 0.771 123.574 122.820 -0.028 0.000 1.874 23 A HA -0.053 4.267 4.320 -0.001 0.000 0.214 23 A C 2.084 179.651 177.584 -0.028 0.000 1.189 23 A CA 0.747 52.770 52.037 -0.024 0.000 0.615 23 A CB -0.343 18.641 19.000 -0.026 0.000 0.830 23 A HN 0.156 nan 8.150 nan 0.000 0.443 24 L N -1.065 120.131 121.223 -0.044 0.000 2.083 24 L HA -0.172 4.167 4.340 -0.001 0.000 0.209 24 L C 2.825 179.665 176.870 -0.051 0.000 1.083 24 L CA 1.432 56.240 54.840 -0.052 0.000 0.752 24 L CB -0.519 41.495 42.059 -0.075 0.000 0.899 24 L HN 0.340 nan 8.230 nan 0.000 0.433 25 R N 0.188 120.663 120.500 -0.043 0.000 2.073 25 R HA -0.127 4.213 4.340 -0.001 0.000 0.234 25 R C 2.254 178.541 176.300 -0.021 0.000 1.134 25 R CA 1.375 57.455 56.100 -0.034 0.000 0.952 25 R CB -0.445 29.843 30.300 -0.019 0.000 0.850 25 R HN 0.340 nan 8.270 nan 0.000 0.433 26 A N 0.233 123.046 122.820 -0.012 0.000 2.259 26 A HA -0.117 4.203 4.320 -0.001 0.000 0.212 26 A C 1.837 179.427 177.584 0.010 0.000 1.178 26 A CA 1.083 53.121 52.037 0.001 0.000 0.734 26 A CB -0.186 18.815 19.000 0.002 0.000 0.774 26 A HN 0.078 nan 8.150 nan 0.000 0.481 27 R N -1.222 119.279 120.500 0.002 0.000 2.254 27 R HA 0.346 4.686 4.340 -0.001 0.000 0.193 27 R C 0.649 176.984 176.300 0.058 0.000 0.929 27 R CA 1.051 57.169 56.100 0.030 0.000 1.038 27 R CB 0.158 30.469 30.300 0.019 0.000 1.009 27 R HN 0.277 nan 8.270 nan 0.000 0.512 28 A N 0.832 123.636 122.820 -0.026 0.000 3.204 28 A HA 0.384 4.703 4.320 -0.001 0.000 0.327 28 A C -2.037 175.555 177.584 0.013 0.000 0.998 28 A CA -1.205 50.801 52.037 -0.051 0.000 0.891 28 A CB 0.515 19.262 19.000 -0.422 0.000 1.061 28 A HN 0.024 nan 8.150 nan 0.000 0.478 29 P HA -0.185 nan 4.420 nan 0.000 0.217 29 P C 0.790 178.118 177.300 0.046 0.000 1.148 29 P CA 1.270 64.395 63.100 0.041 0.000 0.834 29 P CB 0.279 32.005 31.700 0.043 0.000 0.783 30 R N -0.616 119.924 120.500 0.066 0.000 2.552 30 R HA 0.291 4.630 4.340 -0.001 0.000 0.314 30 R C -0.092 176.253 176.300 0.076 0.000 1.041 30 R CA 0.005 56.144 56.100 0.065 0.000 1.076 30 R CB 0.087 30.424 30.300 0.062 0.000 1.290 30 R HN 0.128 nan 8.270 nan 0.000 0.563 31 S N -1.057 114.680 115.700 0.060 0.000 2.570 31 S HA 0.791 5.260 4.470 -0.001 0.000 0.286 31 S C -0.482 174.134 174.600 0.028 0.000 1.099 31 S CA -0.962 57.271 58.200 0.056 0.000 0.913 31 S CB 2.150 65.379 63.200 0.049 0.000 1.085 31 S HN 0.209 nan 8.310 nan 0.000 0.480 32 A N 1.706 124.547 122.820 0.036 0.000 2.272 32 A HA 0.747 5.066 4.320 -0.001 0.000 0.275 32 A C -0.767 176.820 177.584 0.004 0.000 1.096 32 A CA -0.444 51.623 52.037 0.051 0.000 0.822 32 A CB 0.197 19.263 19.000 0.110 0.000 1.088 32 A HN 0.679 nan 8.150 nan 0.000 0.495 33 L N 1.378 122.624 121.223 0.039 0.000 2.349 33 L HA 0.518 4.858 4.340 -0.001 0.000 0.278 33 L C -0.653 176.250 176.870 0.056 0.000 0.996 33 L CA -0.232 54.611 54.840 0.005 0.000 0.825 33 L CB 1.231 43.285 42.059 -0.008 0.000 1.243 33 L HN 0.928 nan 8.230 nan 0.000 0.412 34 M N 5.149 124.751 119.600 0.004 0.000 2.066 34 M HA 0.596 5.075 4.480 -0.001 0.000 0.340 34 M C -0.617 175.706 176.300 0.038 0.000 1.053 34 M CA -0.470 54.872 55.300 0.069 0.000 0.983 34 M CB 1.354 33.939 32.600 -0.024 0.000 1.520 34 M HN 0.732 nan 8.290 nan 0.000 0.428 35 A N 4.930 127.776 122.820 0.042 0.000 2.362 35 A HA 0.528 4.848 4.320 -0.001 0.000 0.276 35 A C -0.516 177.101 177.584 0.055 0.000 1.153 35 A CA -0.535 51.499 52.037 -0.005 0.000 0.813 35 A CB 0.365 19.339 19.000 -0.043 0.000 1.081 35 A HN 0.712 nan 8.150 nan 0.000 0.507 36 V N 4.585 124.546 119.914 0.078 0.000 2.334 36 V HA 0.224 4.343 4.120 -0.001 0.000 0.267 36 V C 0.779 177.038 176.094 0.275 0.000 1.040 36 V CA 0.126 62.554 62.300 0.214 0.000 0.866 36 V CB 0.995 33.020 31.823 0.336 0.000 1.019 36 V HN 0.946 nan 8.190 nan 0.000 0.468 37 V N 2.752 122.809 119.914 0.238 0.000 3.043 37 V HA 0.309 4.429 4.120 -0.001 0.000 0.357 37 V C 0.806 177.047 176.094 0.245 0.000 1.372 37 V CA -0.611 61.864 62.300 0.290 0.000 1.214 37 V CB -0.521 31.406 31.823 0.173 0.000 1.224 37 V HN 0.810 nan 8.190 nan 0.000 0.507 38 K N -0.407 120.148 120.400 0.259 0.000 2.230 38 K HA 0.295 4.614 4.320 -0.001 0.000 0.253 38 K C 0.447 177.091 176.600 0.074 0.000 1.008 38 K CA 0.520 56.865 56.287 0.097 0.000 0.910 38 K CB 0.525 33.054 32.500 0.048 0.000 0.994 38 K HN 0.234 nan 8.250 nan 0.000 0.495 39 S N 1.089 116.780 115.700 -0.015 0.000 3.711 39 S HA -0.163 4.306 4.470 -0.001 0.000 0.374 39 S C -0.272 174.336 174.600 0.013 0.000 0.969 39 S CA 1.049 59.225 58.200 -0.040 0.000 1.198 39 S CB -1.720 61.401 63.200 -0.131 0.000 0.903 39 S HN 0.969 nan 8.310 nan 0.000 0.493 40 N N -0.284 118.434 118.700 0.031 0.000 2.725 40 N HA -0.252 4.488 4.740 -0.001 0.000 0.251 40 N C 0.332 175.894 175.510 0.088 0.000 1.031 40 N CA 1.856 54.937 53.050 0.051 0.000 0.720 40 N CB -1.635 36.871 38.487 0.031 0.000 0.930 40 N HN 1.904 nan 8.380 nan 0.000 0.543 41 A N 0.412 123.319 122.820 0.145 0.000 2.519 41 A HA -0.228 4.092 4.320 -0.001 0.000 0.297 41 A C 0.620 178.235 177.584 0.051 0.000 1.472 41 A CA 1.275 53.413 52.037 0.168 0.000 0.739 41 A CB -2.346 16.715 19.000 0.101 0.000 1.096 41 A HN 1.133 nan 8.150 nan 0.000 0.414 42 Y N -2.804 117.443 120.300 -0.089 0.000 3.396 42 Y HA -0.149 4.402 4.550 0.001 0.000 0.214 42 Y C 1.973 177.863 175.900 -0.017 0.000 1.203 42 Y CA 1.961 60.028 58.100 -0.054 0.000 1.401 42 Y CB -1.759 36.634 38.460 -0.112 0.000 1.409 42 Y HN 2.408 nan 8.280 nan 0.000 0.594 43 G N -1.855 106.994 108.800 0.081 0.000 2.176 43 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.253 43 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.253 43 G C 0.502 175.335 174.900 -0.112 0.000 0.979 43 G CA 0.493 45.578 45.100 -0.024 0.000 0.641 43 G HN 0.628 nan 8.290 nan 0.000 0.530 44 H N 0.160 119.143 119.070 -0.145 0.000 2.553 44 H HA 0.466 5.021 4.556 -0.001 0.000 0.265 44 H C 1.528 176.906 175.328 0.083 0.000 0.964 44 H CA 1.312 57.305 56.048 -0.092 0.000 1.156 44 H CB 0.713 30.337 29.762 -0.231 0.000 1.411 44 H HN 1.476 nan 8.280 nan 0.000 0.558 45 G N 0.295 109.202 108.800 0.178 0.000 3.380 45 G HA2 0.041 4.000 3.960 -0.001 0.000 0.685 45 G HA3 0.041 4.000 3.960 -0.001 0.000 0.685 45 G C 0.796 175.781 174.900 0.142 0.000 1.136 45 G CA -0.108 45.120 45.100 0.214 0.000 1.011 45 G HN 0.463 nan 8.290 nan 0.000 0.471 46 A N 2.151 125.028 122.820 0.095 0.000 1.851 46 A HA 0.138 4.458 4.320 -0.001 0.000 0.216 46 A C 2.668 180.272 177.584 0.033 0.000 1.195 46 A CA 3.007 55.086 52.037 0.069 0.000 0.622 46 A CB -0.580 18.449 19.000 0.048 0.000 0.831 46 A HN 1.578 nan 8.150 nan 0.000 0.444 47 V N 0.682 120.605 119.914 0.016 0.000 2.261 47 V HA -0.165 3.954 4.120 -0.001 0.000 0.246 47 V C -0.089 175.958 176.094 -0.079 0.000 1.047 47 V CA 2.486 64.774 62.300 -0.019 0.000 1.015 47 V CB -1.774 30.061 31.823 0.021 0.000 0.642 47 V HN 0.387 nan 8.190 nan 0.000 0.446 48 P HA -0.129 nan 4.420 nan 0.000 0.216 48 P C 1.780 178.974 177.300 -0.176 0.000 1.153 48 P CA 1.749 64.710 63.100 -0.233 0.000 0.858 48 P CB -0.198 31.169 31.700 -0.555 0.000 0.789 49 C N -1.060 118.211 119.300 -0.050 0.000 2.467 49 C HA 0.133 4.593 4.460 -0.001 0.000 0.279 49 C C 2.902 177.866 174.990 -0.044 0.000 1.347 49 C CA 0.816 59.845 59.018 0.018 0.000 1.748 49 C CB -1.740 26.113 27.740 0.188 0.000 1.977 49 C HN 0.225 nan 8.230 nan 0.000 0.501 50 A N 0.837 123.628 122.820 -0.048 0.000 1.902 50 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 50 A C 2.204 179.705 177.584 -0.138 0.000 1.181 50 A CA 1.556 53.555 52.037 -0.063 0.000 0.623 50 A CB -0.469 18.505 19.000 -0.044 0.000 0.818 50 A HN 0.635 nan 8.150 nan 0.000 0.443 51 R N -0.659 119.699 120.500 -0.237 0.000 2.066 51 R HA -0.007 4.333 4.340 -0.001 0.000 0.232 51 R C 2.525 178.496 176.300 -0.547 0.000 1.131 51 R CA 1.220 57.088 56.100 -0.388 0.000 0.955 51 R CB -0.467 29.497 30.300 -0.560 0.000 0.851 51 R HN 0.503 nan 8.270 nan 0.000 0.432 52 A N 0.968 123.434 122.820 -0.590 0.000 1.883 52 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 52 A C 2.320 179.821 177.584 -0.139 0.000 1.186 52 A CA 1.942 53.770 52.037 -0.348 0.000 0.624 52 A CB -0.812 18.096 19.000 -0.154 0.000 0.822 52 A HN 0.431 nan 8.150 nan 0.000 0.444 53 A N -1.392 121.355 122.820 -0.123 0.000 1.929 53 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 53 A C 2.167 179.714 177.584 -0.061 0.000 1.176 53 A CA 1.554 53.540 52.037 -0.085 0.000 0.628 53 A CB -0.489 18.456 19.000 -0.092 0.000 0.816 53 A HN 0.642 nan 8.150 nan 0.000 0.444 54 Q N -0.829 118.930 119.800 -0.069 0.000 1.967 54 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 54 Q C 2.185 178.176 176.000 -0.015 0.000 0.985 54 Q CA 1.580 57.358 55.803 -0.042 0.000 0.839 54 Q CB -0.247 28.461 28.738 -0.050 0.000 0.906 54 Q HN 0.690 nan 8.270 nan 0.000 0.423 55 E N 0.041 120.242 120.200 0.001 0.000 2.219 55 E HA -0.206 4.144 4.350 -0.001 0.000 0.198 55 E C 1.481 178.104 176.600 0.039 0.000 0.998 55 E CA 1.257 57.690 56.400 0.054 0.000 0.818 55 E CB 0.006 29.799 29.700 0.154 0.000 0.741 55 E HN 0.373 nan 8.360 nan 0.000 0.477 56 A N -0.656 122.175 122.820 0.017 0.000 2.123 56 A HA 0.192 4.512 4.320 -0.001 0.000 0.214 56 A C 1.786 179.370 177.584 0.000 0.000 1.152 56 A CA 1.392 53.435 52.037 0.009 0.000 0.728 56 A CB 0.126 19.123 19.000 -0.006 0.000 0.814 56 A HN 0.415 nan 8.150 nan 0.000 0.464 57 G N -2.795 106.003 108.800 -0.002 0.000 2.870 57 G HA2 0.301 4.260 3.960 -0.001 0.000 0.216 57 G HA3 0.301 4.260 3.960 -0.001 0.000 0.216 57 G C 0.265 175.168 174.900 0.005 0.000 0.973 57 G CA 0.031 45.132 45.100 0.001 0.000 0.807 57 G HN 1.185 nan 8.290 nan 0.000 0.573 58 A N 0.744 123.563 122.820 -0.002 0.000 2.454 58 A HA 0.767 5.087 4.320 -0.001 0.000 0.260 58 A C 1.429 179.034 177.584 0.035 0.000 1.106 58 A CA 1.171 53.218 52.037 0.017 0.000 0.780 58 A CB 0.907 19.907 19.000 -0.001 0.000 1.044 58 A HN 1.492 nan 8.150 nan 0.000 0.498 59 A N 2.689 125.566 122.820 0.095 0.000 2.095 59 A HA 0.337 4.656 4.320 -0.001 0.000 0.212 59 A C 0.150 177.739 177.584 0.009 0.000 1.162 59 A CA 0.356 52.441 52.037 0.080 0.000 0.753 59 A CB 0.023 19.132 19.000 0.181 0.000 0.840 59 A HN 0.795 nan 8.150 nan 0.000 0.468 60 W N -1.555 119.719 121.300 -0.044 0.000 2.844 60 W HA 0.652 5.312 4.660 -0.001 0.000 0.340 60 W C -0.976 175.513 176.519 -0.049 0.000 1.093 60 W CA -0.777 56.538 57.345 -0.050 0.000 1.212 60 W CB 1.337 30.753 29.460 -0.074 0.000 1.422 60 W HN -0.132 nan 8.180 nan 0.000 0.515 61 L N 1.991 123.314 121.223 0.168 0.000 2.346 61 L HA 0.878 5.218 4.340 -0.001 0.000 0.274 61 L C 0.163 177.096 176.870 0.105 0.000 1.007 61 L CA -0.802 54.092 54.840 0.090 0.000 0.818 61 L CB 1.523 43.590 42.059 0.013 0.000 1.284 61 L HN 0.534 nan 8.230 nan 0.000 0.424 62 G N 0.148 108.994 108.800 0.078 0.000 2.666 62 G HA2 0.617 4.577 3.960 -0.001 0.000 0.303 62 G HA3 0.617 4.577 3.960 -0.001 0.000 0.303 62 G C -0.951 173.872 174.900 -0.129 0.000 1.412 62 G CA -0.265 44.844 45.100 0.014 0.000 0.979 62 G HN 0.646 nan 8.290 nan 0.000 0.507 63 T N -0.736 113.554 114.554 -0.440 0.000 2.906 63 T HA 0.665 5.015 4.350 -0.001 0.000 0.295 63 T C 1.138 175.288 174.700 -0.917 0.000 1.075 63 T CA 0.406 62.246 62.100 -0.434 0.000 1.005 63 T CB 1.925 70.629 68.868 -0.274 0.000 1.136 63 T HN 0.984 nan 8.240 nan 0.000 0.498 64 A N 1.758 124.181 122.820 -0.662 0.000 1.903 64 A HA 0.329 4.648 4.320 -0.001 0.000 0.213 64 A C 1.506 178.712 177.584 -0.631 0.000 1.185 64 A CA 1.351 52.922 52.037 -0.776 0.000 0.628 64 A CB -0.956 17.924 19.000 -0.200 0.000 0.830 64 A HN 1.272 nan 8.150 nan 0.000 0.446 65 T N -4.256 110.016 114.554 -0.470 0.000 2.925 65 T HA 0.518 4.868 4.350 -0.001 0.000 0.285 65 T C -2.177 172.188 174.700 -0.559 0.000 1.021 65 T CA -1.836 59.962 62.100 -0.505 0.000 1.042 65 T CB 1.796 70.457 68.868 -0.344 0.000 1.037 65 T HN -0.065 nan 8.240 nan 0.000 0.481 66 P HA -0.052 nan 4.420 nan 0.000 0.218 66 P C 1.052 178.137 177.300 -0.358 0.000 1.148 66 P CA 1.028 63.724 63.100 -0.675 0.000 0.822 66 P CB 0.102 31.162 31.700 -1.067 0.000 0.784 67 E N -0.018 119.993 120.200 -0.314 0.000 2.077 67 E HA -0.181 4.169 4.350 -0.001 0.000 0.193 67 E C 1.976 178.483 176.600 -0.155 0.000 0.989 67 E CA 1.151 57.437 56.400 -0.191 0.000 0.800 67 E CB -0.799 28.804 29.700 -0.162 0.000 0.746 67 E HN 0.374 nan 8.360 nan 0.000 0.452 68 E N -0.112 119.980 120.200 -0.181 0.000 2.204 68 E HA -0.128 4.221 4.350 -0.001 0.000 0.195 68 E C 1.829 178.350 176.600 -0.132 0.000 0.990 68 E CA 0.916 57.233 56.400 -0.140 0.000 0.821 68 E CB -0.042 29.563 29.700 -0.158 0.000 0.750 68 E HN 0.297 nan 8.360 nan 0.000 0.477 69 A N 0.249 122.967 122.820 -0.169 0.000 1.975 69 A HA -0.016 4.304 4.320 -0.001 0.000 0.215 69 A C 1.987 179.520 177.584 -0.085 0.000 1.170 69 A CA 0.511 52.469 52.037 -0.132 0.000 0.656 69 A CB -0.184 18.724 19.000 -0.154 0.000 0.821 69 A HN 0.141 nan 8.150 nan 0.000 0.449 70 L N -0.565 120.605 121.223 -0.088 0.000 2.313 70 L HA -0.068 4.272 4.340 -0.001 0.000 0.214 70 L C 2.494 179.341 176.870 -0.039 0.000 1.119 70 L CA 1.189 55.997 54.840 -0.052 0.000 0.809 70 L CB -0.195 41.832 42.059 -0.052 0.000 0.933 70 L HN 0.575 nan 8.230 nan 0.000 0.449 71 E N 0.766 120.938 120.200 -0.046 0.000 2.112 71 E HA -0.158 4.191 4.350 -0.001 0.000 0.190 71 E C 2.305 178.894 176.600 -0.018 0.000 0.979 71 E CA 0.690 57.076 56.400 -0.024 0.000 0.814 71 E CB 0.156 29.841 29.700 -0.025 0.000 0.762 71 E HN 0.486 nan 8.360 nan 0.000 0.460 72 L N 0.542 121.745 121.223 -0.034 0.000 2.017 72 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 72 L C 2.919 179.766 176.870 -0.038 0.000 1.073 72 L CA 1.051 55.869 54.840 -0.036 0.000 0.745 72 L CB -0.412 41.620 42.059 -0.046 0.000 0.894 72 L HN 0.113 nan 8.230 nan 0.000 0.432 73 R N -0.010 120.469 120.500 -0.035 0.000 2.066 73 R HA -0.107 4.233 4.340 -0.001 0.000 0.232 73 R C 2.298 178.585 176.300 -0.022 0.000 1.131 73 R CA 1.420 57.502 56.100 -0.030 0.000 0.955 73 R CB -0.641 29.645 30.300 -0.023 0.000 0.851 73 R HN 0.325 nan 8.270 nan 0.000 0.432 74 A N 1.224 124.036 122.820 -0.012 0.000 2.024 74 A HA -0.097 4.223 4.320 -0.001 0.000 0.220 74 A C 2.159 179.747 177.584 0.007 0.000 1.164 74 A CA 1.733 53.772 52.037 0.004 0.000 0.643 74 A CB -0.366 18.642 19.000 0.013 0.000 0.806 74 A HN 0.380 nan 8.150 nan 0.000 0.451 75 A N -1.997 120.815 122.820 -0.013 0.000 2.238 75 A HA 0.411 4.730 4.320 -0.001 0.000 0.208 75 A C 1.740 179.244 177.584 -0.133 0.000 1.177 75 A CA 1.192 53.188 52.037 -0.068 0.000 0.804 75 A CB -0.832 18.132 19.000 -0.059 0.000 0.823 75 A HN 1.877 nan 8.150 nan 0.000 0.482 76 G N -1.157 107.600 108.800 -0.072 0.000 2.141 76 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.231 76 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.231 76 G C 0.035 174.903 174.900 -0.054 0.000 0.984 76 G CA 0.088 45.150 45.100 -0.064 0.000 0.660 76 G HN 0.409 nan 8.290 nan 0.000 0.525 77 I N 0.888 121.425 120.570 -0.055 0.000 2.474 77 I HA 0.431 4.601 4.170 -0.001 0.000 0.287 77 I C 0.977 177.061 176.117 -0.054 0.000 1.048 77 I CA -0.160 61.109 61.300 -0.052 0.000 1.383 77 I CB 1.267 39.233 38.000 -0.057 0.000 1.412 77 I HN 0.258 nan 8.210 nan 0.000 0.531 78 Q N 2.913 122.679 119.800 -0.057 0.000 2.796 78 Q HA 0.719 5.058 4.340 -0.001 0.000 0.178 78 Q C 0.342 176.281 176.000 -0.101 0.000 1.063 78 Q CA 0.181 55.942 55.803 -0.070 0.000 0.848 78 Q CB 0.798 29.499 28.738 -0.062 0.000 3.016 78 Q HN 0.858 nan 8.270 nan 0.000 0.413 79 G N 0.183 108.908 108.800 -0.125 0.000 2.804 79 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.230 79 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.230 79 G C -1.038 173.695 174.900 -0.278 0.000 1.386 79 G CA -0.641 44.342 45.100 -0.195 0.000 0.875 79 G HN 0.323 nan 8.290 nan 0.000 0.557 80 R N -0.675 119.531 120.500 -0.491 0.000 2.490 80 R HA 0.572 4.912 4.340 -0.001 0.000 0.280 80 R C 0.347 176.398 176.300 -0.415 0.000 1.077 80 R CA 0.103 55.771 56.100 -0.720 0.000 1.065 80 R CB 0.362 29.567 30.300 -1.825 0.000 1.003 80 R HN 0.505 nan 8.270 nan 0.000 0.470 81 I N 2.369 122.818 120.570 -0.203 0.000 2.802 81 I HA 0.425 4.595 4.170 -0.001 0.000 0.298 81 I C -0.394 175.786 176.117 0.105 0.000 1.176 81 I CA -0.663 60.630 61.300 -0.011 0.000 1.025 81 I CB 2.490 40.464 38.000 -0.044 0.000 1.243 81 I HN 0.392 nan 8.210 nan 0.000 0.424 82 M N 6.010 125.687 119.600 0.129 0.000 2.421 82 M HA 0.661 5.141 4.480 -0.001 0.000 0.287 82 M C -1.943 174.313 176.300 -0.073 0.000 1.183 82 M CA -0.338 55.047 55.300 0.141 0.000 0.916 82 M CB 1.957 34.719 32.600 0.270 0.000 1.701 82 M HN 0.881 nan 8.290 nan 0.000 0.470 83 C N 1.633 120.910 119.300 -0.039 0.000 2.626 83 C HA 0.800 5.259 4.460 -0.001 0.000 0.310 83 C C -0.126 174.898 174.990 0.057 0.000 1.191 83 C CA -0.571 58.238 59.018 -0.348 0.000 1.517 83 C CB 0.156 27.655 27.740 -0.402 0.000 2.102 83 C HN 1.198 nan 8.230 nan 0.000 0.479 84 W N 0.873 122.276 121.300 0.172 0.000 2.873 84 W HA 0.486 5.145 4.660 -0.001 0.000 0.282 84 W C 0.151 176.875 176.519 0.341 0.000 1.118 84 W CA -0.509 57.059 57.345 0.371 0.000 1.480 84 W CB -0.351 29.382 29.460 0.456 0.000 0.954 84 W HN 0.428 nan 8.180 nan 0.000 0.591 85 L N 2.312 123.621 121.223 0.143 0.000 2.295 85 L HA 0.338 4.677 4.340 -0.001 0.000 0.288 85 L C -1.324 175.494 176.870 -0.087 0.000 1.079 85 L CA -0.737 54.190 54.840 0.146 0.000 0.830 85 L CB -0.881 41.206 42.059 0.047 0.000 1.200 85 L HN 0.094 nan 8.230 nan 0.000 0.438 86 W N 3.179 124.592 121.300 0.189 0.000 2.864 86 W HA 0.723 5.383 4.660 -0.000 0.000 0.343 86 W C -0.102 176.637 176.519 0.366 0.000 1.109 86 W CA -0.429 57.014 57.345 0.163 0.000 1.192 86 W CB 2.195 31.738 29.460 0.138 0.000 1.426 86 W HN 0.549 nan 8.180 nan 0.000 0.529 87 T N -0.887 114.006 114.554 0.566 0.000 2.896 87 T HA 0.563 4.913 4.350 -0.001 0.000 0.297 87 T C -2.881 172.009 174.700 0.318 0.000 1.108 87 T CA -2.607 59.691 62.100 0.330 0.000 1.004 87 T CB 1.515 70.451 68.868 0.113 0.000 1.159 87 T HN -0.028 nan 8.240 nan 0.000 0.499 88 P HA 0.309 nan 4.420 nan 0.000 0.262 88 P C 1.143 178.575 177.300 0.220 0.000 1.182 88 P CA 1.387 64.536 63.100 0.082 0.000 0.761 88 P CB 0.017 31.597 31.700 -0.201 0.000 0.795 89 G N 1.780 110.806 108.800 0.376 0.000 2.175 89 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.244 89 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.244 89 G C 0.666 175.709 174.900 0.238 0.000 0.982 89 G CA -0.207 45.059 45.100 0.277 0.000 0.641 89 G HN 0.890 nan 8.290 nan 0.000 0.527 90 G N 0.203 109.146 108.800 0.238 0.000 2.744 90 G HA2 0.440 4.400 3.960 -0.001 0.000 0.257 90 G HA3 0.440 4.400 3.960 -0.001 0.000 0.257 90 G C -1.438 173.510 174.900 0.081 0.000 1.244 90 G CA 0.011 45.166 45.100 0.093 0.000 0.916 90 G HN 0.247 nan 8.290 nan 0.000 0.564 91 P HA 0.162 nan 4.420 nan 0.000 0.220 91 P C 0.069 177.528 177.300 0.264 0.000 1.806 91 P CA -0.489 62.700 63.100 0.148 0.000 0.976 91 P CB -0.161 31.575 31.700 0.059 0.000 1.952 92 W N 1.007 122.483 121.300 0.295 0.000 2.332 92 W HA -0.122 4.538 4.660 -0.000 0.000 0.321 92 W C 2.694 179.261 176.519 0.080 0.000 1.219 92 W CA 0.815 58.198 57.345 0.063 0.000 1.277 92 W CB -0.688 28.727 29.460 -0.075 0.000 1.161 92 W HN 0.142 nan 8.180 nan 0.000 0.476 93 R N 1.048 121.741 120.500 0.321 0.000 2.113 93 R HA -0.259 4.081 4.340 -0.001 0.000 0.231 93 R C 1.865 178.261 176.300 0.159 0.000 1.129 93 R CA 2.545 58.761 56.100 0.193 0.000 0.915 93 R CB -0.667 29.722 30.300 0.150 0.000 0.837 93 R HN 0.100 nan 8.270 nan 0.000 0.430 94 E N 0.323 120.610 120.200 0.145 0.000 2.114 94 E HA -0.225 4.125 4.350 -0.001 0.000 0.199 94 E C 1.857 178.529 176.600 0.120 0.000 1.008 94 E CA 1.919 58.384 56.400 0.108 0.000 0.810 94 E CB -0.357 29.394 29.700 0.086 0.000 0.739 94 E HN 0.557 nan 8.360 nan 0.000 0.456 95 A N 0.419 123.349 122.820 0.182 0.000 1.930 95 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 95 A C 2.221 179.909 177.584 0.172 0.000 1.175 95 A CA 1.123 53.284 52.037 0.207 0.000 0.627 95 A CB -0.472 18.765 19.000 0.395 0.000 0.815 95 A HN 0.201 nan 8.150 nan 0.000 0.443 96 I N -1.017 119.655 120.570 0.170 0.000 2.353 96 I HA -0.177 3.992 4.170 -0.001 0.000 0.248 96 I C 2.393 178.561 176.117 0.085 0.000 1.119 96 I CA 1.358 62.733 61.300 0.125 0.000 1.417 96 I CB -0.440 37.630 38.000 0.116 0.000 1.078 96 I HN 0.339 nan 8.210 nan 0.000 0.421 97 E N 0.572 120.819 120.200 0.080 0.000 2.153 97 E HA -0.186 4.164 4.350 -0.001 0.000 0.194 97 E C 1.765 178.390 176.600 0.043 0.000 0.988 97 E CA 1.760 58.193 56.400 0.055 0.000 0.811 97 E CB 0.025 29.757 29.700 0.053 0.000 0.746 97 E HN 0.481 nan 8.360 nan 0.000 0.466 98 T N -1.698 112.886 114.554 0.049 0.000 3.272 98 T HA 0.041 4.391 4.350 -0.001 0.000 0.250 98 T C 0.000 174.716 174.700 0.025 0.000 1.082 98 T CA 0.261 62.379 62.100 0.031 0.000 0.968 98 T CB -0.144 68.743 68.868 0.030 0.000 1.015 98 T HN -0.016 nan 8.240 nan 0.000 0.563 99 D N 0.590 121.011 120.400 0.035 0.000 2.904 99 D HA -0.141 4.499 4.640 -0.001 0.000 0.231 99 D C -0.847 175.469 176.300 0.028 0.000 1.185 99 D CA 0.501 54.517 54.000 0.026 0.000 0.783 99 D CB -1.541 39.257 40.800 -0.003 0.000 0.961 99 D HN 0.711 nan 8.370 nan 0.000 0.409 100 I N 1.136 121.749 120.570 0.072 0.000 2.418 100 I HA 0.225 4.394 4.170 -0.001 0.000 0.287 100 I C 0.212 176.420 176.117 0.152 0.000 1.008 100 I CA -1.027 60.329 61.300 0.093 0.000 1.104 100 I CB 1.602 39.669 38.000 0.112 0.000 1.264 100 I HN -0.080 nan 8.210 nan 0.000 0.438 101 D N 5.718 126.218 120.400 0.166 0.000 2.382 101 D HA 0.207 4.847 4.640 -0.001 0.000 0.259 101 D C -0.085 176.379 176.300 0.275 0.000 1.224 101 D CA 0.338 54.478 54.000 0.233 0.000 0.894 101 D CB 0.899 41.905 40.800 0.342 0.000 1.127 101 D HN 0.294 nan 8.370 nan 0.000 0.487 102 V N 0.455 120.539 119.914 0.284 0.000 2.850 102 V HA 0.683 4.803 4.120 -0.001 0.000 0.315 102 V C -0.054 176.248 176.094 0.346 0.000 1.064 102 V CA -0.751 61.778 62.300 0.381 0.000 0.979 102 V CB 2.130 34.150 31.823 0.329 0.000 1.039 102 V HN 0.346 nan 8.190 nan 0.000 0.452 103 S N 1.829 117.808 115.700 0.465 0.000 2.451 103 S HA 0.741 5.210 4.470 -0.001 0.000 0.301 103 S C -0.779 174.016 174.600 0.325 0.000 1.116 103 S CA -0.485 58.005 58.200 0.484 0.000 1.093 103 S CB 1.184 64.844 63.200 0.768 0.000 1.017 103 S HN 0.899 nan 8.310 nan 0.000 0.482 104 V N 4.830 124.869 119.914 0.209 0.000 2.409 104 V HA 0.419 4.539 4.120 -0.001 0.000 0.291 104 V C 0.229 176.356 176.094 0.056 0.000 1.020 104 V CA -0.388 61.925 62.300 0.022 0.000 0.848 104 V CB 1.666 33.433 31.823 -0.093 0.000 0.990 104 V HN 1.001 nan 8.190 nan 0.000 0.430 105 S N 2.394 118.094 115.700 0.001 0.000 2.604 105 S HA 0.413 4.882 4.470 -0.001 0.000 0.235 105 S C 0.601 175.199 174.600 -0.004 0.000 1.043 105 S CA 0.290 58.514 58.200 0.040 0.000 0.997 105 S CB 1.207 64.451 63.200 0.072 0.000 0.956 105 S HN 0.901 nan 8.310 nan 0.000 0.535 106 G N 0.217 108.925 108.800 -0.152 0.000 2.798 106 G HA2 0.549 4.508 3.960 -0.001 0.000 0.286 106 G HA3 0.549 4.508 3.960 -0.001 0.000 0.286 106 G C 0.263 175.008 174.900 -0.258 0.000 1.389 106 G CA -0.491 44.518 45.100 -0.152 0.000 0.894 106 G HN -0.044 nan 8.290 nan 0.000 0.488 107 M N 0.250 119.774 119.600 -0.128 0.000 2.287 107 M HA 0.081 4.560 4.480 -0.001 0.000 0.266 107 M C 2.343 178.567 176.300 -0.127 0.000 1.079 107 M CA 0.798 56.030 55.300 -0.113 0.000 1.146 107 M CB -0.581 32.009 32.600 -0.017 0.000 1.374 107 M HN 0.884 nan 8.290 nan 0.000 0.435 108 W N 1.241 122.531 121.300 -0.016 0.000 2.331 108 W HA -0.141 4.520 4.660 0.002 0.000 0.291 108 W C 1.690 178.160 176.519 -0.081 0.000 1.214 108 W CA 1.207 58.539 57.345 -0.023 0.000 1.228 108 W CB -1.237 28.242 29.460 0.031 0.000 1.135 108 W HN 0.153 nan 8.180 nan 0.000 0.537 109 A N 2.010 124.219 122.820 -1.019 0.000 1.854 109 A HA -0.115 4.204 4.320 -0.001 0.000 0.214 109 A C 2.307 179.425 177.584 -0.778 0.000 1.192 109 A CA 1.643 53.010 52.037 -1.117 0.000 0.611 109 A CB -1.238 17.061 19.000 -1.168 0.000 0.832 109 A HN 0.339 nan 8.150 nan 0.000 0.442 110 L N -0.193 120.709 121.223 -0.534 0.000 1.997 110 L HA -0.284 4.056 4.340 -0.001 0.000 0.216 110 L C 1.982 178.639 176.870 -0.354 0.000 1.074 110 L CA 2.180 56.787 54.840 -0.388 0.000 0.763 110 L CB -0.545 41.362 42.059 -0.252 0.000 0.890 110 L HN 0.414 nan 8.230 nan 0.000 0.434 111 D N -0.668 119.572 120.400 -0.266 0.000 2.218 111 D HA -0.178 4.461 4.640 -0.001 0.000 0.204 111 D C 2.073 178.220 176.300 -0.255 0.000 0.976 111 D CA 1.016 54.900 54.000 -0.192 0.000 0.853 111 D CB -0.007 40.740 40.800 -0.088 0.000 0.939 111 D HN 0.507 nan 8.370 nan 0.000 0.481 112 E N 0.299 120.258 120.200 -0.403 0.000 2.051 112 E HA -0.090 4.260 4.350 -0.001 0.000 0.189 112 E C 2.258 178.400 176.600 -0.763 0.000 0.979 112 E CA 0.433 56.500 56.400 -0.555 0.000 0.803 112 E CB -0.031 29.238 29.700 -0.718 0.000 0.761 112 E HN 0.094 nan 8.360 nan 0.000 0.451 113 V N 1.568 120.865 119.914 -1.028 0.000 2.490 113 V HA -0.226 3.894 4.120 -0.001 0.000 0.250 113 V C 2.099 177.985 176.094 -0.347 0.000 1.061 113 V CA 1.595 63.464 62.300 -0.718 0.000 1.064 113 V CB -0.299 31.126 31.823 -0.662 0.000 0.670 113 V HN 0.176 nan 8.190 nan 0.000 0.461 114 R N 0.158 120.472 120.500 -0.309 0.000 2.066 114 R HA -0.020 4.320 4.340 -0.001 0.000 0.232 114 R C 2.469 178.688 176.300 -0.135 0.000 1.131 114 R CA 1.492 57.483 56.100 -0.182 0.000 0.955 114 R CB -0.745 29.459 30.300 -0.161 0.000 0.851 114 R HN 0.630 nan 8.270 nan 0.000 0.432 115 A N 1.014 123.746 122.820 -0.146 0.000 1.969 115 A HA -0.056 4.264 4.320 -0.001 0.000 0.218 115 A C 2.294 179.843 177.584 -0.059 0.000 1.169 115 A CA 1.587 53.573 52.037 -0.086 0.000 0.635 115 A CB -0.370 18.586 19.000 -0.074 0.000 0.810 115 A HN 0.393 nan 8.150 nan 0.000 0.445 116 A N -0.096 122.673 122.820 -0.085 0.000 1.872 116 A HA 0.262 4.581 4.320 -0.001 0.000 0.214 116 A C 2.477 180.060 177.584 -0.000 0.000 1.187 116 A CA 1.707 53.738 52.037 -0.010 0.000 0.614 116 A CB -1.037 17.980 19.000 0.030 0.000 0.826 116 A HN 1.050 nan 8.150 nan 0.000 0.442 117 A N -0.706 122.094 122.820 -0.034 0.000 2.024 117 A HA -0.155 4.164 4.320 -0.001 0.000 0.220 117 A C 2.216 179.793 177.584 -0.012 0.000 1.164 117 A CA 1.479 53.505 52.037 -0.017 0.000 0.643 117 A CB -0.425 18.552 19.000 -0.038 0.000 0.806 117 A HN 0.366 nan 8.150 nan 0.000 0.451 118 R N -0.499 119.989 120.500 -0.021 0.000 2.057 118 R HA 0.004 4.343 4.340 -0.001 0.000 0.229 118 R C 2.540 178.841 176.300 0.001 0.000 1.136 118 R CA 1.494 57.586 56.100 -0.014 0.000 0.952 118 R CB -1.219 29.068 30.300 -0.021 0.000 0.848 118 R HN 0.498 nan 8.270 nan 0.000 0.430 119 A N 1.057 123.882 122.820 0.008 0.000 1.877 119 A HA -0.077 4.242 4.320 -0.001 0.000 0.216 119 A C 2.251 179.849 177.584 0.024 0.000 1.186 119 A CA 1.920 53.969 52.037 0.020 0.000 0.620 119 A CB -0.684 18.335 19.000 0.032 0.000 0.822 119 A HN 0.362 nan 8.150 nan 0.000 0.443 120 A N -1.210 121.628 122.820 0.030 0.000 2.178 120 A HA 0.326 4.646 4.320 -0.001 0.000 0.218 120 A C 1.860 179.458 177.584 0.023 0.000 1.157 120 A CA 1.349 53.406 52.037 0.034 0.000 0.689 120 A CB -1.384 17.643 19.000 0.045 0.000 0.787 120 A HN 2.004 nan 8.150 nan 0.000 0.465 121 G N -0.787 108.022 108.800 0.015 0.000 2.366 121 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.299 121 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.299 121 G C 0.126 175.031 174.900 0.010 0.000 1.020 121 G CA 0.768 45.873 45.100 0.009 0.000 1.026 121 G HN 0.640 nan 8.290 nan 0.000 0.512 122 R N -1.518 118.989 120.500 0.010 0.000 2.734 122 R HA 0.515 4.855 4.340 -0.001 0.000 0.271 122 R C -0.745 175.559 176.300 0.007 0.000 1.021 122 R CA -0.703 55.404 56.100 0.011 0.000 0.893 122 R CB 1.050 31.362 30.300 0.020 0.000 1.244 122 R HN 0.138 nan 8.270 nan 0.000 0.464 123 T N 1.137 115.696 114.554 0.008 0.000 2.799 123 T HA 0.478 4.828 4.350 -0.001 0.000 0.286 123 T C -0.261 174.448 174.700 0.014 0.000 0.973 123 T CA -0.423 61.679 62.100 0.004 0.000 1.035 123 T CB 1.380 70.251 68.868 0.005 0.000 0.932 123 T HN 0.578 nan 8.240 nan 0.000 0.469 124 A N 4.218 127.042 122.820 0.008 0.000 2.290 124 A HA 0.546 4.866 4.320 -0.001 0.000 0.310 124 A C 0.329 177.933 177.584 0.033 0.000 1.202 124 A CA -0.936 51.116 52.037 0.025 0.000 0.837 124 A CB 0.425 19.429 19.000 0.008 0.000 1.139 124 A HN 0.851 nan 8.150 nan 0.000 0.509 125 R N 2.625 123.164 120.500 0.064 0.000 2.216 125 R HA 0.497 4.837 4.340 -0.001 0.000 0.332 125 R C -0.504 175.861 176.300 0.108 0.000 1.056 125 R CA -0.098 56.054 56.100 0.086 0.000 0.901 125 R CB -0.002 30.365 30.300 0.112 0.000 1.039 125 R HN 0.730 nan 8.270 nan 0.000 0.456 126 I N -1.343 119.282 120.570 0.092 0.000 2.797 126 I HA 0.410 4.580 4.170 -0.001 0.000 0.307 126 I C -0.620 175.585 176.117 0.147 0.000 1.033 126 I CA -1.302 60.062 61.300 0.108 0.000 1.071 126 I CB 2.168 40.191 38.000 0.038 0.000 1.255 126 I HN 0.390 nan 8.210 nan 0.000 0.445 127 Q N 3.728 123.651 119.800 0.205 0.000 2.337 127 Q HA 0.535 4.875 4.340 -0.001 0.000 0.270 127 Q C -1.295 174.920 176.000 0.359 0.000 1.043 127 Q CA -0.976 54.987 55.803 0.267 0.000 0.794 127 Q CB 2.957 31.840 28.738 0.242 0.000 1.281 127 Q HN 0.485 nan 8.270 nan 0.000 0.446 131 D N 3.222 123.381 120.400 -0.403 0.000 2.374 131 D HA 0.294 4.934 4.640 -0.001 0.000 0.240 131 D C 1.226 177.354 176.300 -0.288 0.000 1.229 131 D CA 0.850 54.670 54.000 -0.301 0.000 0.895 131 D CB 0.832 41.512 40.800 -0.200 0.000 1.046 131 D HN 0.622 nan 8.370 nan 0.000 0.498 132 T N 0.442 114.827 114.554 -0.282 0.000 3.186 132 T HA 0.445 4.795 4.350 -0.001 0.000 0.257 132 T C 1.134 175.745 174.700 -0.149 0.000 1.029 132 T CA 0.220 62.187 62.100 -0.222 0.000 0.916 132 T CB 0.450 69.185 68.868 -0.222 0.000 1.041 132 T HN 0.444 nan 8.240 nan 0.000 0.562 133 G N 0.691 109.408 108.800 -0.138 0.000 3.302 133 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.216 133 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.216 133 G C 0.501 175.353 174.900 -0.081 0.000 1.008 133 G CA 0.058 45.108 45.100 -0.084 0.000 0.852 133 G HN 0.312 nan 8.290 nan 0.000 0.485 134 L N 2.068 123.222 121.223 -0.114 0.000 2.079 134 L HA 0.342 4.682 4.340 -0.001 0.000 0.210 134 L C 2.284 179.110 176.870 -0.074 0.000 1.081 134 L CA 2.792 57.571 54.840 -0.101 0.000 0.752 134 L CB -0.672 41.310 42.059 -0.129 0.000 0.896 134 L HN 1.529 nan 8.230 nan 0.000 0.433 135 G N -1.343 107.409 108.800 -0.080 0.000 2.155 135 G HA2 -0.438 3.522 3.960 -0.001 0.000 0.257 135 G HA3 -0.438 3.522 3.960 -0.001 0.000 0.257 135 G C 1.134 176.011 174.900 -0.038 0.000 0.983 135 G CA 0.938 46.005 45.100 -0.055 0.000 0.676 135 G HN 0.510 nan 8.290 nan 0.000 0.528 136 R N -0.101 120.372 120.500 -0.045 0.000 1.963 136 R HA 0.291 4.630 4.340 -0.001 0.000 0.193 136 R C 1.305 177.602 176.300 -0.006 0.000 1.437 136 R CA 0.914 57.005 56.100 -0.016 0.000 1.176 136 R CB -0.181 30.114 30.300 -0.007 0.000 0.864 136 R HN 0.342 nan 8.270 nan 0.000 0.495 137 N N -1.059 117.625 118.700 -0.027 0.000 2.725 137 N HA 0.401 5.140 4.740 -0.001 0.000 0.312 137 N C -1.214 174.239 175.510 -0.094 0.000 1.295 137 N CA 0.526 53.570 53.050 -0.010 0.000 0.914 137 N CB 1.464 39.966 38.487 0.026 0.000 1.177 137 N HN 0.681 nan 8.380 nan 0.000 0.601 138 G N -0.673 108.078 108.800 -0.082 0.000 2.758 138 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.686 138 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.686 138 G C -0.446 174.406 174.900 -0.079 0.000 1.389 138 G CA -0.416 44.596 45.100 -0.147 0.000 0.845 138 G HN 0.750 nan 8.290 nan 0.000 0.572 139 C N 2.164 121.431 119.300 -0.055 0.000 2.585 139 C HA 0.504 4.963 4.460 -0.001 0.000 0.406 139 C C 1.009 175.939 174.990 -0.100 0.000 1.312 139 C CA -0.487 58.541 59.018 0.018 0.000 1.924 139 C CB 0.278 28.180 27.740 0.271 0.000 2.578 139 C HN 0.708 nan 8.230 nan 0.000 0.580 140 Q N 4.885 124.654 119.800 -0.051 0.000 2.421 140 Q HA 0.124 4.464 4.340 -0.001 0.000 0.255 140 Q C -1.285 174.652 176.000 -0.104 0.000 1.013 140 Q CA -0.991 54.759 55.803 -0.087 0.000 0.895 140 Q CB 0.752 29.466 28.738 -0.040 0.000 1.271 140 Q HN 0.530 nan 8.270 nan 0.000 0.460 141 P HA -0.167 nan 4.420 nan 0.000 0.217 141 P C 0.374 177.639 177.300 -0.059 0.000 1.148 141 P CA 1.776 64.773 63.100 -0.171 0.000 0.828 141 P CB 0.196 31.797 31.700 -0.164 0.000 0.783 142 A N -0.997 121.802 122.820 -0.035 0.000 2.235 142 A HA -0.062 4.257 4.320 -0.001 0.000 0.208 142 A C 1.098 178.692 177.584 0.017 0.000 1.172 142 A CA 1.135 53.165 52.037 -0.012 0.000 0.786 142 A CB -0.565 18.427 19.000 -0.014 0.000 0.804 142 A HN 0.084 nan 8.150 nan 0.000 0.479 143 D N -2.625 117.809 120.400 0.057 0.000 2.527 143 D HA 0.010 4.650 4.640 -0.001 0.000 0.224 143 D C 1.068 177.459 176.300 0.152 0.000 1.217 143 D CA -0.469 53.577 54.000 0.077 0.000 0.819 143 D CB -0.399 40.443 40.800 0.069 0.000 1.061 143 D HN 0.676 nan 8.370 nan 0.000 0.515 144 W N 2.038 123.260 121.300 -0.129 0.000 2.329 144 W HA -0.242 4.417 4.660 -0.001 0.000 0.324 144 W C 2.116 178.549 176.519 -0.143 0.000 1.222 144 W CA 1.696 58.949 57.345 -0.154 0.000 1.270 144 W CB 0.192 29.512 29.460 -0.233 0.000 1.167 144 W HN 0.032 nan 8.180 nan 0.000 0.467 145 A N 0.275 123.008 122.820 -0.145 0.000 1.940 145 A HA -0.318 4.002 4.320 -0.001 0.000 0.219 145 A C 1.661 179.195 177.584 -0.082 0.000 1.176 145 A CA 2.332 54.270 52.037 -0.166 0.000 0.631 145 A CB -1.074 17.849 19.000 -0.129 0.000 0.814 145 A HN 0.507 nan 8.150 nan 0.000 0.446 146 E N -0.558 119.609 120.200 -0.055 0.000 2.031 146 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 146 E C 1.818 178.372 176.600 -0.077 0.000 0.994 146 E CA 1.449 57.824 56.400 -0.042 0.000 0.800 146 E CB -0.342 29.349 29.700 -0.014 0.000 0.752 146 E HN 0.386 nan 8.360 nan 0.000 0.447 147 L N -0.167 120.999 121.223 -0.095 0.000 2.027 147 L HA -0.102 4.238 4.340 -0.001 0.000 0.206 147 L C 2.384 179.107 176.870 -0.245 0.000 1.074 147 L CA 1.309 56.065 54.840 -0.140 0.000 0.745 147 L CB -0.614 41.389 42.059 -0.093 0.000 0.898 147 L HN 0.133 nan 8.230 nan 0.000 0.433 148 V N -0.096 119.578 119.914 -0.399 0.000 2.380 148 V HA -0.281 3.838 4.120 -0.001 0.000 0.251 148 V C 2.471 178.441 176.094 -0.208 0.000 1.063 148 V CA 1.887 63.930 62.300 -0.429 0.000 1.055 148 V CB -1.388 30.140 31.823 -0.491 0.000 0.657 148 V HN 0.658 nan 8.190 nan 0.000 0.455 149 G N -0.729 107.991 108.800 -0.134 0.000 2.434 149 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.214 149 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.214 149 G C 1.811 176.657 174.900 -0.089 0.000 1.202 149 G CA 0.910 45.960 45.100 -0.083 0.000 0.788 149 G HN 0.604 nan 8.290 nan 0.000 0.539 150 A N 1.162 123.928 122.820 -0.090 0.000 1.948 150 A HA 0.103 4.423 4.320 -0.001 0.000 0.220 150 A C 2.780 180.305 177.584 -0.098 0.000 1.177 150 A CA 2.586 54.572 52.037 -0.086 0.000 0.636 150 A CB -0.826 18.122 19.000 -0.086 0.000 0.815 150 A HN 0.851 nan 8.150 nan 0.000 0.449 151 A N -0.063 122.685 122.820 -0.120 0.000 1.835 151 A HA -0.051 4.268 4.320 -0.001 0.000 0.215 151 A C 2.248 179.774 177.584 -0.097 0.000 1.199 151 A CA 2.469 54.435 52.037 -0.118 0.000 0.615 151 A CB -1.443 17.469 19.000 -0.146 0.000 0.838 151 A HN 1.070 nan 8.150 nan 0.000 0.444 152 V N -1.825 118.029 119.914 -0.100 0.000 2.660 152 V HA -0.143 3.977 4.120 -0.001 0.000 0.257 152 V C 2.497 178.551 176.094 -0.067 0.000 1.088 152 V CA 1.884 64.135 62.300 -0.081 0.000 1.106 152 V CB -1.797 29.974 31.823 -0.088 0.000 0.686 152 V HN 0.560 nan 8.190 nan 0.000 0.481 153 A N 0.612 123.391 122.820 -0.068 0.000 1.898 153 A HA 0.274 4.594 4.320 -0.001 0.000 0.214 153 A C 2.427 179.977 177.584 -0.056 0.000 1.183 153 A CA 1.577 53.580 52.037 -0.057 0.000 0.622 153 A CB -0.818 18.148 19.000 -0.056 0.000 0.824 153 A HN 0.787 nan 8.150 nan 0.000 0.444 154 A N -0.784 121.997 122.820 -0.066 0.000 2.015 154 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 154 A C 2.080 179.631 177.584 -0.055 0.000 1.163 154 A CA 1.751 53.748 52.037 -0.067 0.000 0.646 154 A CB -0.431 18.518 19.000 -0.085 0.000 0.806 154 A HN 0.634 nan 8.150 nan 0.000 0.448 155 Q N -0.338 119.431 119.800 -0.051 0.000 1.967 155 Q HA -0.077 4.262 4.340 -0.001 0.000 0.202 155 Q C 2.253 178.233 176.000 -0.034 0.000 0.985 155 Q CA 1.925 57.704 55.803 -0.039 0.000 0.839 155 Q CB -0.448 28.266 28.738 -0.040 0.000 0.906 155 Q HN 0.571 nan 8.270 nan 0.000 0.423 156 A N 1.207 124.005 122.820 -0.035 0.000 1.958 156 A HA -0.303 4.017 4.320 -0.001 0.000 0.221 156 A C 1.824 179.391 177.584 -0.028 0.000 1.178 156 A CA 2.077 54.095 52.037 -0.030 0.000 0.642 156 A CB -0.999 17.982 19.000 -0.032 0.000 0.816 156 A HN 0.737 nan 8.150 nan 0.000 0.453 157 E N -1.269 118.912 120.200 -0.032 0.000 2.418 157 E HA 0.231 4.580 4.350 -0.001 0.000 0.197 157 E C 1.136 177.720 176.600 -0.026 0.000 1.026 157 E CA 0.742 57.124 56.400 -0.030 0.000 0.862 157 E CB -0.555 29.123 29.700 -0.036 0.000 0.799 157 E HN 0.951 nan 8.360 nan 0.000 0.518 158 G N 0.213 108.998 108.800 -0.026 0.000 2.143 158 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.248 158 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.248 158 G C 0.780 175.667 174.900 -0.023 0.000 0.991 158 G CA 0.694 45.781 45.100 -0.020 0.000 0.689 158 G HN 0.372 nan 8.290 nan 0.000 0.522 159 T N -0.946 113.589 114.554 -0.033 0.000 2.866 159 T HA 0.340 4.690 4.350 -0.001 0.000 0.250 159 T C 1.709 176.385 174.700 -0.040 0.000 1.033 159 T CA 1.852 63.928 62.100 -0.040 0.000 1.145 159 T CB -0.058 68.775 68.868 -0.057 0.000 0.866 159 T HN 1.287 nan 8.240 nan 0.000 0.434 160 V N -0.679 119.207 119.914 -0.046 0.000 3.345 160 V HA 0.731 4.850 4.120 -0.001 0.000 0.308 160 V C -1.020 175.062 176.094 -0.020 0.000 1.168 160 V CA -0.871 61.406 62.300 -0.039 0.000 1.024 160 V CB 1.798 33.583 31.823 -0.062 0.000 1.211 160 V HN 0.190 nan 8.190 nan 0.000 0.461 161 Q N 0.366 120.164 119.800 -0.005 0.000 2.313 161 Q HA 0.382 4.722 4.340 -0.001 0.000 0.255 161 Q C -2.067 173.949 176.000 0.027 0.000 0.944 161 Q CA -0.394 55.415 55.803 0.010 0.000 0.881 161 Q CB 2.403 31.155 28.738 0.024 0.000 1.375 161 Q HN 0.802 nan 8.270 nan 0.000 0.422 162 V N 4.200 124.126 119.914 0.020 0.000 2.370 162 V HA 0.095 4.215 4.120 -0.001 0.000 0.257 162 V C 1.495 177.630 176.094 0.067 0.000 1.064 162 V CA 0.865 63.188 62.300 0.037 0.000 0.975 162 V CB 0.638 32.465 31.823 0.007 0.000 1.067 162 V HN 0.893 nan 8.190 nan 0.000 0.485 163 T N 1.007 115.623 114.554 0.104 0.000 3.081 163 T HA 0.352 4.702 4.350 -0.001 0.000 0.255 163 T C 0.753 175.539 174.700 0.143 0.000 1.113 163 T CA 0.504 62.686 62.100 0.137 0.000 1.082 163 T CB 0.402 69.383 68.868 0.189 0.000 0.939 163 T HN 0.858 nan 8.240 nan 0.000 0.506 164 G N -0.186 108.697 108.800 0.138 0.000 2.579 164 G HA2 0.516 4.475 3.960 -0.001 0.000 0.292 164 G HA3 0.516 4.475 3.960 -0.001 0.000 0.292 164 G C -2.119 172.886 174.900 0.174 0.000 1.484 164 G CA -0.647 44.536 45.100 0.138 0.000 0.813 164 G HN 0.211 nan 8.290 nan 0.000 0.515 165 V N 2.075 122.084 119.914 0.159 0.000 2.531 165 V HA 0.856 4.975 4.120 -0.001 0.000 0.301 165 V C -0.449 175.787 176.094 0.238 0.000 1.034 165 V CA -0.536 61.903 62.300 0.231 0.000 0.865 165 V CB 1.385 33.300 31.823 0.152 0.000 0.995 165 V HN 0.954 nan 8.190 nan 0.000 0.424 166 W N 3.233 124.473 121.300 -0.100 0.000 3.018 166 W HA 0.891 5.550 4.660 -0.002 0.000 0.382 166 W C -0.972 175.420 176.519 -0.212 0.000 1.161 166 W CA -1.246 55.907 57.345 -0.320 0.000 1.144 166 W CB 1.442 30.318 29.460 -0.973 0.000 1.499 166 W HN 0.591 nan 8.180 nan 0.000 0.596 167 S N -0.642 114.768 115.700 -0.484 0.000 2.636 167 S HA 0.465 4.934 4.470 -0.001 0.000 0.266 167 S C -2.418 171.880 174.600 -0.503 0.000 1.147 167 S CA -0.411 57.368 58.200 -0.702 0.000 0.815 167 S CB 1.388 64.215 63.200 -0.621 0.000 1.119 167 S HN 0.764 nan 8.310 nan 0.000 0.470 168 H N 0.479 119.174 119.070 -0.625 0.000 2.771 168 H HA 0.650 5.206 4.556 -0.001 0.000 0.361 168 H C -1.400 173.693 175.328 -0.392 0.000 1.108 168 H CA -0.592 55.199 56.048 -0.427 0.000 1.201 168 H CB 0.521 30.096 29.762 -0.311 0.000 1.681 168 H HN 0.394 nan 8.280 nan 0.000 0.534 169 F N 2.229 121.888 119.950 -0.486 0.000 2.410 169 F HA 0.377 4.903 4.527 -0.001 0.000 0.334 169 F C 1.462 176.987 175.800 -0.458 0.000 1.134 169 F CA 0.603 58.368 58.000 -0.391 0.000 1.227 169 F CB 0.991 39.836 39.000 -0.260 0.000 1.194 169 F HN 0.744 nan 8.300 nan 0.000 0.571 170 A N 0.415 123.203 122.820 -0.053 0.000 1.942 170 A HA 0.101 4.420 4.320 -0.001 0.000 0.209 170 A C 1.005 178.491 177.584 -0.163 0.000 1.214 170 A CA 0.513 52.471 52.037 -0.132 0.000 0.686 170 A CB -0.486 18.452 19.000 -0.103 0.000 0.871 170 A HN 0.745 nan 8.150 nan 0.000 0.460 171 C N -0.484 118.705 119.300 -0.186 0.000 2.859 171 C HA 0.626 5.085 4.460 -0.001 0.000 0.256 171 C C 2.119 176.978 174.990 -0.219 0.000 1.660 171 C CA -0.693 58.150 59.018 -0.291 0.000 1.755 171 C CB -0.792 26.524 27.740 -0.707 0.000 3.127 171 C HN 0.650 nan 8.230 nan 0.000 0.494 172 A N 2.249 124.953 122.820 -0.194 0.000 1.940 172 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 172 A C 2.017 179.520 177.584 -0.134 0.000 1.176 172 A CA 2.367 54.247 52.037 -0.262 0.000 0.631 172 A CB -0.395 18.450 19.000 -0.259 0.000 0.814 172 A HN 0.711 nan 8.150 nan 0.000 0.446 173 D N -0.246 120.112 120.400 -0.069 0.000 2.371 173 D HA -0.065 4.574 4.640 -0.001 0.000 0.234 173 D C 0.234 176.524 176.300 -0.016 0.000 1.049 173 D CA 0.430 54.424 54.000 -0.009 0.000 0.907 173 D CB -0.278 40.550 40.800 0.047 0.000 0.891 173 D HN 0.548 nan 8.370 nan 0.000 0.531 174 E N 1.308 121.480 120.200 -0.048 0.000 2.546 174 E HA 0.233 4.583 4.350 -0.001 0.000 0.227 174 E C -2.466 174.145 176.600 0.020 0.000 1.009 174 E CA -2.356 54.038 56.400 -0.010 0.000 0.813 174 E CB 1.208 30.889 29.700 -0.031 0.000 1.269 174 E HN 0.028 nan 8.360 nan 0.000 0.432 175 P HA -0.157 nan 4.420 nan 0.000 0.258 175 P C 0.524 177.834 177.300 0.016 0.000 1.136 175 P CA 1.217 64.318 63.100 0.001 0.000 0.761 175 P CB 0.209 31.911 31.700 0.003 0.000 0.724 176 G N 1.708 110.508 108.800 0.000 0.000 2.273 176 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.280 176 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.280 176 G C 0.143 175.053 174.900 0.016 0.000 1.047 176 G CA -0.219 44.880 45.100 -0.002 0.000 0.869 176 G HN 0.826 nan 8.290 nan 0.000 0.502 177 H N 0.767 119.804 119.070 -0.056 0.000 2.548 177 H HA 0.254 4.809 4.556 -0.000 0.000 0.331 177 H C -0.700 174.605 175.328 -0.038 0.000 1.093 177 H CA -1.000 55.022 56.048 -0.044 0.000 1.367 177 H CB 1.770 31.502 29.762 -0.050 0.000 1.455 177 H HN 0.113 nan 8.280 nan 0.000 0.519 178 P HA -0.207 nan 4.420 nan 0.000 0.216 178 P C 1.516 178.837 177.300 0.035 0.000 1.150 178 P CA 1.689 64.713 63.100 -0.127 0.000 0.837 178 P CB 0.149 31.726 31.700 -0.205 0.000 0.786 179 S N -0.258 115.582 115.700 0.233 0.000 2.400 179 S HA -0.171 4.299 4.470 -0.001 0.000 0.232 179 S C 2.076 176.780 174.600 0.173 0.000 1.025 179 S CA 0.985 59.331 58.200 0.243 0.000 0.993 179 S CB -1.575 61.815 63.200 0.317 0.000 0.808 179 S HN 0.058 nan 8.310 nan 0.000 0.478 180 I N 2.019 122.673 120.570 0.140 0.000 2.052 180 I HA -0.282 3.888 4.170 -0.001 0.000 0.235 180 I C 3.084 179.263 176.117 0.103 0.000 1.046 180 I CA 2.069 63.386 61.300 0.028 0.000 1.308 180 I CB -0.480 37.454 38.000 -0.110 0.000 1.031 180 I HN 0.299 nan 8.210 nan 0.000 0.395 181 R N 0.633 121.171 120.500 0.064 0.000 2.091 181 R HA -0.145 4.195 4.340 -0.001 0.000 0.238 181 R C 2.311 178.670 176.300 0.099 0.000 1.136 181 R CA 1.228 57.373 56.100 0.077 0.000 0.959 181 R CB -0.517 29.806 30.300 0.039 0.000 0.856 181 R HN 0.343 nan 8.270 nan 0.000 0.437 182 L N 0.971 122.242 121.223 0.081 0.000 2.043 182 L HA -0.252 4.088 4.340 -0.001 0.000 0.212 182 L C 2.501 179.418 176.870 0.078 0.000 1.075 182 L CA 1.786 56.664 54.840 0.065 0.000 0.752 182 L CB -0.791 41.297 42.059 0.047 0.000 0.891 182 L HN 0.407 nan 8.230 nan 0.000 0.432 183 Q N -0.712 119.161 119.800 0.122 0.000 2.123 183 Q HA -0.205 4.135 4.340 -0.001 0.000 0.199 183 Q C 2.218 178.291 176.000 0.122 0.000 0.966 183 Q CA 0.957 56.817 55.803 0.096 0.000 0.845 183 Q CB -0.128 28.701 28.738 0.150 0.000 0.907 183 Q HN 0.301 nan 8.270 nan 0.000 0.439 184 L N 1.761 123.138 121.223 0.256 0.000 2.046 184 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 184 L C 1.504 178.516 176.870 0.236 0.000 1.077 184 L CA 1.944 56.956 54.840 0.287 0.000 0.747 184 L CB -0.657 41.593 42.059 0.317 0.000 0.896 184 L HN 0.109 nan 8.230 nan 0.000 0.432 185 D N 0.014 120.509 120.400 0.158 0.000 2.104 185 D HA -0.189 4.450 4.640 -0.001 0.000 0.194 185 D C 2.176 178.525 176.300 0.082 0.000 0.994 185 D CA 1.661 55.729 54.000 0.113 0.000 0.830 185 D CB -0.253 40.590 40.800 0.072 0.000 0.959 185 D HN 0.499 nan 8.370 nan 0.000 0.452 186 A N 0.550 123.399 122.820 0.048 0.000 1.933 186 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 186 A C 2.083 179.656 177.584 -0.018 0.000 1.175 186 A CA 0.953 52.979 52.037 -0.019 0.000 0.628 186 A CB -0.937 18.021 19.000 -0.070 0.000 0.814 186 A HN 0.186 nan 8.150 nan 0.000 0.444 187 F N 1.138 121.008 119.950 -0.135 0.000 2.069 187 F HA -0.212 4.314 4.527 -0.001 0.000 0.298 187 F C 2.497 178.254 175.800 -0.073 0.000 1.113 187 F CA 2.009 59.903 58.000 -0.176 0.000 1.214 187 F CB -0.281 38.584 39.000 -0.224 0.000 0.978 187 F HN 0.149 nan 8.300 nan 0.000 0.474 188 R N 0.132 120.645 120.500 0.021 0.000 2.105 188 R HA -0.164 4.176 4.340 -0.001 0.000 0.239 188 R C 1.752 178.029 176.300 -0.039 0.000 1.135 188 R CA 1.629 57.730 56.100 0.003 0.000 0.967 188 R CB -0.934 29.450 30.300 0.140 0.000 0.861 188 R HN 0.379 nan 8.270 nan 0.000 0.442 189 D N 0.423 120.810 120.400 -0.022 0.000 2.137 189 D HA -0.033 4.606 4.640 -0.001 0.000 0.202 189 D C 2.046 178.357 176.300 0.019 0.000 0.970 189 D CA 1.047 55.050 54.000 0.005 0.000 0.837 189 D CB -0.070 40.733 40.800 0.004 0.000 0.981 189 D HN 0.172 nan 8.370 nan 0.000 0.475 190 M N 0.049 119.603 119.600 -0.078 0.000 2.200 190 M HA -0.070 4.409 4.480 -0.001 0.000 0.265 190 M C 2.142 178.552 176.300 0.184 0.000 1.066 190 M CA 0.604 55.867 55.300 -0.061 0.000 1.127 190 M CB -0.047 32.242 32.600 -0.518 0.000 1.379 190 M HN 0.013 nan 8.290 nan 0.000 0.420 191 L N 1.024 122.170 121.223 -0.130 0.000 1.976 191 L HA -0.070 4.270 4.340 -0.001 0.000 0.209 191 L C 2.560 179.439 176.870 0.015 0.000 1.071 191 L CA 2.320 57.062 54.840 -0.163 0.000 0.746 191 L CB -1.096 40.594 42.059 -0.615 0.000 0.890 191 L HN 0.189 nan 8.230 nan 0.000 0.432 192 A N -0.962 121.858 122.820 0.000 0.000 1.884 192 A HA -0.363 3.957 4.320 -0.001 0.000 0.219 192 A C 2.366 179.998 177.584 0.079 0.000 1.197 192 A CA 2.299 54.359 52.037 0.037 0.000 0.637 192 A CB -1.609 17.415 19.000 0.040 0.000 0.827 192 A HN 0.735 nan 8.150 nan 0.000 0.450 193 Y N 0.722 121.051 120.300 0.048 0.000 2.102 193 Y HA -0.224 4.326 4.550 -0.001 0.000 0.280 193 Y C 2.608 178.512 175.900 0.007 0.000 1.178 193 Y CA 1.737 59.868 58.100 0.053 0.000 1.146 193 Y CB -0.667 37.868 38.460 0.126 0.000 0.968 193 Y HN 0.320 nan 8.280 nan 0.000 0.504 194 A N -0.232 122.726 122.820 0.229 0.000 1.978 194 A HA -0.208 4.112 4.320 -0.001 0.000 0.220 194 A C 2.065 179.594 177.584 -0.092 0.000 1.170 194 A CA 1.900 53.952 52.037 0.025 0.000 0.636 194 A CB -0.736 18.305 19.000 0.067 0.000 0.810 194 A HN 0.644 nan 8.150 nan 0.000 0.448 195 E N -0.003 120.162 120.200 -0.059 0.000 2.015 195 E HA -0.152 4.198 4.350 -0.001 0.000 0.191 195 E C 2.051 178.581 176.600 -0.117 0.000 0.991 195 E CA 1.324 57.684 56.400 -0.066 0.000 0.802 195 E CB -0.018 29.663 29.700 -0.032 0.000 0.759 195 E HN 0.372 nan 8.360 nan 0.000 0.447 196 K N 0.886 121.192 120.400 -0.156 0.000 2.074 196 K HA -0.177 4.143 4.320 -0.001 0.000 0.209 196 K C 1.652 178.107 176.600 -0.241 0.000 1.048 196 K CA 1.072 57.246 56.287 -0.188 0.000 0.926 196 K CB -0.325 32.046 32.500 -0.215 0.000 0.713 196 K HN 0.157 nan 8.250 nan 0.000 0.444 197 E N -0.145 119.835 120.200 -0.367 0.000 2.526 197 E HA -0.026 4.323 4.350 -0.001 0.000 0.198 197 E C 1.039 177.526 176.600 -0.188 0.000 1.091 197 E CA 0.712 56.916 56.400 -0.326 0.000 0.880 197 E CB 0.195 29.619 29.700 -0.459 0.000 0.873 197 E HN 0.580 nan 8.360 nan 0.000 0.527 198 G N 0.021 108.733 108.800 -0.147 0.000 2.481 198 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.200 198 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.200 198 G C 0.426 175.281 174.900 -0.075 0.000 1.012 198 G CA -0.031 45.011 45.100 -0.097 0.000 0.676 198 G HN 0.155 nan 8.290 nan 0.000 0.488 199 V N 2.168 122.032 119.914 -0.084 0.000 2.540 199 V HA 0.381 4.501 4.120 -0.001 0.000 0.297 199 V C -0.024 176.054 176.094 -0.027 0.000 1.024 199 V CA 0.911 63.178 62.300 -0.054 0.000 1.105 199 V CB 1.442 33.228 31.823 -0.063 0.000 0.938 199 V HN 0.385 nan 8.190 nan 0.000 0.482 200 D N 6.532 126.929 120.400 -0.007 0.000 2.462 200 D HA 0.392 5.032 4.640 -0.001 0.000 0.249 200 D C -2.333 173.988 176.300 0.035 0.000 1.117 200 D CA -1.508 52.500 54.000 0.013 0.000 0.900 200 D CB 1.339 42.147 40.800 0.013 0.000 1.039 200 D HN 0.344 nan 8.370 nan 0.000 0.516 201 P HA 0.178 nan 4.420 nan 0.000 0.280 201 P C 0.526 177.882 177.300 0.093 0.000 1.244 201 P CA -0.228 62.916 63.100 0.073 0.000 0.784 201 P CB 1.840 33.585 31.700 0.076 0.000 0.913 202 E N 1.253 121.522 120.200 0.114 0.000 2.152 202 E HA -0.003 4.347 4.350 -0.001 0.000 0.192 202 E C 0.282 176.965 176.600 0.138 0.000 0.983 202 E CA 0.771 57.254 56.400 0.138 0.000 0.818 202 E CB 0.297 30.108 29.700 0.186 0.000 0.758 202 E HN 0.415 nan 8.360 nan 0.000 0.467 203 V N -1.534 118.453 119.914 0.122 0.000 3.048 203 V HA 0.573 4.693 4.120 -0.001 0.000 0.303 203 V C -1.221 174.969 176.094 0.158 0.000 1.214 203 V CA -1.220 61.148 62.300 0.114 0.000 0.984 203 V CB 1.914 33.726 31.823 -0.018 0.000 1.054 203 V HN -0.042 nan 8.190 nan 0.000 0.430 204 R N 2.018 122.640 120.500 0.203 0.000 2.476 204 R HA 0.792 5.132 4.340 -0.001 0.000 0.305 204 R C -1.082 175.342 176.300 0.207 0.000 0.965 204 R CA -0.575 55.644 56.100 0.199 0.000 0.867 204 R CB 1.704 32.124 30.300 0.201 0.000 1.176 204 R HN 1.146 nan 8.270 nan 0.000 0.447 205 H N -0.123 118.984 119.070 0.062 0.000 2.928 205 H HA 0.595 5.151 4.556 -0.001 0.000 0.371 205 H C -0.204 174.921 175.328 -0.337 0.000 1.186 205 H CA -1.114 54.870 56.048 -0.107 0.000 1.134 205 H CB 2.037 31.736 29.762 -0.104 0.000 1.824 205 H HN 0.534 nan 8.280 nan 0.000 0.554 206 I N -0.616 119.808 120.570 -0.244 0.000 5.167 206 I HA 0.406 4.576 4.170 -0.001 0.000 0.380 206 I C -0.459 175.623 176.117 -0.058 0.000 1.141 206 I CA 0.048 61.071 61.300 -0.462 0.000 1.534 206 I CB 0.285 37.593 38.000 -1.154 0.000 2.035 206 I HN 0.783 nan 8.210 nan 0.000 0.670 207 A N 2.381 125.315 122.820 0.189 0.000 2.320 207 A HA 0.530 4.850 4.320 -0.001 0.000 0.287 207 A C -0.109 177.632 177.584 0.263 0.000 1.181 207 A CA -0.313 51.930 52.037 0.343 0.000 0.831 207 A CB 0.071 19.282 19.000 0.352 0.000 1.102 207 A HN 0.569 nan 8.150 nan 0.000 0.513 208 N N 1.647 120.533 118.700 0.309 0.000 2.681 208 N HA 0.278 5.017 4.740 -0.001 0.000 0.311 208 N C 0.921 176.541 175.510 0.184 0.000 1.303 208 N CA -0.078 53.130 53.050 0.265 0.000 0.926 208 N CB -0.256 38.454 38.487 0.372 0.000 1.136 208 N HN 0.265 nan 8.380 nan 0.000 0.592 209 S N 0.417 116.220 115.700 0.173 0.000 2.365 209 S HA -0.068 4.401 4.470 -0.001 0.000 0.221 209 S C -1.055 173.603 174.600 0.096 0.000 1.037 209 S CA 1.866 60.133 58.200 0.111 0.000 1.060 209 S CB -1.236 62.032 63.200 0.112 0.000 0.974 209 S HN 0.596 nan 8.310 nan 0.000 0.427 210 P HA -0.105 nan 4.420 nan 0.000 0.213 210 P C 1.504 178.820 177.300 0.027 0.000 1.170 210 P CA 1.711 64.846 63.100 0.059 0.000 0.902 210 P CB -0.230 31.499 31.700 0.048 0.000 0.789 211 A N -1.017 121.809 122.820 0.010 0.000 1.917 211 A HA -0.241 4.079 4.320 -0.001 0.000 0.219 211 A C 2.296 179.945 177.584 0.109 0.000 1.182 211 A CA 2.762 54.785 52.037 -0.023 0.000 0.633 211 A CB -2.026 16.954 19.000 -0.034 0.000 0.819 211 A HN 0.187 nan 8.150 nan 0.000 0.448 212 T N 0.405 115.052 114.554 0.155 0.000 2.684 212 T HA -0.147 4.202 4.350 -0.001 0.000 0.267 212 T C 1.746 176.559 174.700 0.188 0.000 1.036 212 T CA 1.752 63.967 62.100 0.191 0.000 1.148 212 T CB -0.415 68.483 68.868 0.049 0.000 0.863 212 T HN 0.373 nan 8.240 nan 0.000 0.436 213 L N 0.929 122.209 121.223 0.094 0.000 2.217 213 L HA -0.031 4.308 4.340 -0.001 0.000 0.211 213 L C 2.822 179.727 176.870 0.058 0.000 1.107 213 L CA 1.355 56.234 54.840 0.066 0.000 0.783 213 L CB -0.617 41.463 42.059 0.035 0.000 0.919 213 L HN 0.467 nan 8.230 nan 0.000 0.442 214 T N -4.188 110.393 114.554 0.045 0.000 3.071 214 T HA 0.178 4.528 4.350 -0.001 0.000 0.239 214 T C 0.585 175.276 174.700 -0.016 0.000 0.997 214 T CA -0.135 61.969 62.100 0.007 0.000 1.134 214 T CB 0.175 69.031 68.868 -0.020 0.000 0.928 214 T HN -0.173 nan 8.240 nan 0.000 0.453 215 L N 3.279 124.487 121.223 -0.025 0.000 2.277 215 L HA 0.478 4.817 4.340 -0.001 0.000 0.284 215 L C -2.104 174.636 176.870 -0.216 0.000 1.028 215 L CA -2.874 51.915 54.840 -0.084 0.000 0.835 215 L CB 1.009 43.014 42.059 -0.089 0.000 1.215 215 L HN 0.008 nan 8.230 nan 0.000 0.425 216 P HA -0.116 nan 4.420 nan 0.000 0.223 216 P C 0.867 177.795 177.300 -0.620 0.000 1.151 216 P CA 0.835 63.501 63.100 -0.723 0.000 0.787 216 P CB 0.322 31.834 31.700 -0.313 0.000 0.788 217 E N -0.393 119.630 120.200 -0.295 0.000 2.416 217 E HA 0.006 4.356 4.350 -0.001 0.000 0.189 217 E C 0.347 176.915 176.600 -0.053 0.000 1.091 217 E CA 0.802 57.085 56.400 -0.195 0.000 0.889 217 E CB -1.039 28.600 29.700 -0.102 0.000 1.015 217 E HN 0.287 nan 8.360 nan 0.000 0.479 218 T N -3.231 111.353 114.554 0.050 0.000 3.040 218 T HA 0.136 4.486 4.350 -0.001 0.000 0.266 218 T C 1.064 176.134 174.700 0.617 0.000 1.005 218 T CA -0.285 62.078 62.100 0.438 0.000 0.906 218 T CB -0.165 68.944 68.868 0.401 0.000 1.082 218 T HN 0.017 nan 8.240 nan 0.000 0.531 219 H N 1.502 120.722 119.070 0.250 0.000 2.261 219 H HA 0.264 4.819 4.556 -0.001 0.000 0.301 219 H C 0.985 176.549 175.328 0.393 0.000 1.067 219 H CA 0.590 56.776 56.048 0.229 0.000 1.297 219 H CB -0.647 29.170 29.762 0.092 0.000 1.377 219 H HN 0.359 nan 8.280 nan 0.000 0.492 220 F N -0.789 119.308 119.950 0.244 0.000 2.183 220 F HA -0.406 4.121 4.527 -0.000 0.000 0.318 220 F C 1.823 177.716 175.800 0.155 0.000 0.958 220 F CA 1.445 59.563 58.000 0.196 0.000 0.912 220 F CB -0.937 38.208 39.000 0.243 0.000 4.135 220 F HN 0.173 nan 8.300 nan 0.000 0.137 221 D N 0.334 120.973 120.400 0.399 0.000 2.202 221 D HA 0.170 4.810 4.640 -0.001 0.000 0.214 221 D C 0.649 177.019 176.300 0.117 0.000 0.967 221 D CA 1.088 55.215 54.000 0.212 0.000 0.871 221 D CB 0.081 40.991 40.800 0.182 0.000 1.020 221 D HN 0.106 nan 8.370 nan 0.000 0.474 222 L N 0.835 122.111 121.223 0.089 0.000 2.319 222 L HA 0.472 4.811 4.340 -0.001 0.000 0.267 222 L C -1.033 175.830 176.870 -0.013 0.000 1.011 222 L CA -0.976 53.813 54.840 -0.083 0.000 0.818 222 L CB 2.445 44.256 42.059 -0.414 0.000 1.316 222 L HN -0.139 nan 8.230 nan 0.000 0.432 223 V N 0.129 119.988 119.914 -0.092 0.000 2.686 223 V HA 0.568 4.687 4.120 -0.001 0.000 0.306 223 V C -0.815 175.231 176.094 -0.079 0.000 1.065 223 V CA -0.888 61.384 62.300 -0.046 0.000 0.894 223 V CB 1.772 33.539 31.823 -0.093 0.000 1.004 223 V HN 0.756 nan 8.190 nan 0.000 0.424 224 R N 2.928 123.411 120.500 -0.029 0.000 2.247 224 R HA 0.572 4.911 4.340 -0.001 0.000 0.329 224 R C -0.086 176.243 176.300 0.048 0.000 1.014 224 R CA -0.134 55.958 56.100 -0.013 0.000 0.907 224 R CB 1.434 31.716 30.300 -0.030 0.000 1.146 224 R HN 0.973 nan 8.270 nan 0.000 0.499 225 T N -1.027 113.534 114.554 0.012 0.000 2.770 225 T HA 0.473 4.822 4.350 -0.001 0.000 0.283 225 T C 0.710 175.377 174.700 -0.055 0.000 0.988 225 T CA -0.662 61.434 62.100 -0.006 0.000 0.957 225 T CB 1.921 70.752 68.868 -0.061 0.000 0.930 225 T HN 0.493 nan 8.240 nan 0.000 0.443 226 G N 2.279 111.063 108.800 -0.027 0.000 2.687 226 G HA2 0.198 4.157 3.960 -0.001 0.000 0.222 226 G HA3 0.198 4.157 3.960 -0.001 0.000 0.222 226 G C 0.982 175.579 174.900 -0.504 0.000 1.445 226 G CA -0.103 44.881 45.100 -0.194 0.000 0.836 226 G HN 0.617 nan 8.290 nan 0.000 0.598 227 L N 1.739 122.769 121.223 -0.322 0.000 2.013 227 L HA 0.005 4.344 4.340 -0.001 0.000 0.212 227 L C 3.142 179.846 176.870 -0.277 0.000 1.073 227 L CA 2.442 57.091 54.840 -0.319 0.000 0.753 227 L CB -0.613 41.214 42.059 -0.387 0.000 0.890 227 L HN 0.288 nan 8.230 nan 0.000 0.432 228 A N -1.446 121.245 122.820 -0.215 0.000 2.032 228 A HA -0.176 4.143 4.320 -0.001 0.000 0.221 228 A C 2.199 179.624 177.584 -0.266 0.000 1.165 228 A CA 1.848 53.776 52.037 -0.180 0.000 0.645 228 A CB -1.039 17.893 19.000 -0.113 0.000 0.807 228 A HN 0.346 nan 8.150 nan 0.000 0.453 229 V N -1.885 117.753 119.914 -0.460 0.000 2.626 229 V HA -0.235 3.884 4.120 -0.001 0.000 0.252 229 V C 1.700 177.403 176.094 -0.652 0.000 1.067 229 V CA 1.473 63.412 62.300 -0.601 0.000 1.081 229 V CB -1.138 30.175 31.823 -0.850 0.000 0.686 229 V HN 0.739 nan 8.190 nan 0.000 0.468 230 Y N 0.233 120.353 120.300 -0.300 0.000 2.532 230 Y HA 0.497 5.047 4.550 0.000 0.000 0.283 230 Y C 1.873 177.671 175.900 -0.169 0.000 1.181 230 Y CA 0.326 58.217 58.100 -0.349 0.000 1.256 230 Y CB 0.114 38.146 38.460 -0.714 0.000 1.112 230 Y HN 0.278 nan 8.280 nan 0.000 0.521 231 G N 0.071 108.838 108.800 -0.055 0.000 2.179 231 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.260 231 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.260 231 G C -0.073 174.826 174.900 -0.002 0.000 0.977 231 G CA 0.186 45.277 45.100 -0.014 0.000 0.641 231 G HN 0.155 nan 8.290 nan 0.000 0.533 232 V N 1.138 121.045 119.914 -0.011 0.000 2.539 232 V HA 0.682 4.802 4.120 -0.001 0.000 0.292 232 V C 0.888 176.944 176.094 -0.062 0.000 1.045 232 V CA 0.163 62.451 62.300 -0.019 0.000 0.945 232 V CB 1.753 33.568 31.823 -0.013 0.000 0.993 232 V HN 0.685 nan 8.190 nan 0.000 0.464 233 S N 5.380 121.058 115.700 -0.036 0.000 2.489 233 S HA 0.341 4.811 4.470 -0.001 0.000 0.277 233 S C -1.328 173.256 174.600 -0.026 0.000 1.230 233 S CA -1.166 57.018 58.200 -0.027 0.000 1.053 233 S CB 1.302 64.503 63.200 0.001 0.000 0.955 233 S HN 0.580 nan 8.310 nan 0.000 0.488 234 P HA -0.079 nan 4.420 nan 0.000 0.218 234 P C 0.153 177.547 177.300 0.156 0.000 1.154 234 P CA 1.179 64.338 63.100 0.098 0.000 0.872 234 P CB 0.095 31.892 31.700 0.163 0.000 0.790 235 S N -4.296 111.459 115.700 0.093 0.000 2.537 235 S HA 0.371 4.840 4.470 -0.001 0.000 0.271 235 S C -2.495 172.138 174.600 0.054 0.000 1.148 235 S CA -1.375 56.876 58.200 0.086 0.000 0.868 235 S CB 1.343 64.595 63.200 0.086 0.000 1.115 235 S HN -0.243 nan 8.310 nan 0.000 0.461 236 P HA -0.099 nan 4.420 nan 0.000 0.218 236 P C 0.541 177.859 177.300 0.030 0.000 1.148 236 P CA 1.320 64.441 63.100 0.036 0.000 0.822 236 P CB -0.254 31.468 31.700 0.035 0.000 0.784 237 E N -0.822 119.398 120.200 0.033 0.000 2.533 237 E HA -0.034 4.315 4.350 -0.001 0.000 0.201 237 E C 0.902 177.516 176.600 0.022 0.000 1.097 237 E CA 0.336 56.752 56.400 0.026 0.000 0.887 237 E CB -0.438 29.279 29.700 0.028 0.000 0.855 237 E HN 0.253 nan 8.360 nan 0.000 0.540 238 L N -1.275 119.962 121.223 0.024 0.000 2.993 238 L HA 0.364 4.704 4.340 -0.001 0.000 0.264 238 L C 0.802 177.682 176.870 0.016 0.000 1.154 238 L CA 0.491 55.343 54.840 0.019 0.000 0.972 238 L CB 1.161 43.234 42.059 0.024 0.000 1.373 238 L HN 0.174 nan 8.230 nan 0.000 0.564 239 G N -0.583 108.227 108.800 0.017 0.000 2.353 239 G HA2 0.124 4.084 3.960 -0.001 0.000 0.615 239 G HA3 0.124 4.084 3.960 -0.001 0.000 0.615 239 G C -0.427 174.481 174.900 0.015 0.000 1.280 239 G CA -0.432 44.676 45.100 0.014 0.000 1.000 239 G HN 0.151 nan 8.290 nan 0.000 0.516 240 T N -1.476 113.085 114.554 0.012 0.000 2.927 240 T HA 0.704 5.053 4.350 -0.001 0.000 0.281 240 T C -1.226 173.479 174.700 0.008 0.000 0.998 240 T CA -0.915 61.193 62.100 0.012 0.000 1.019 240 T CB 2.156 71.031 68.868 0.012 0.000 1.061 240 T HN 0.266 nan 8.240 nan 0.000 0.518 241 P HA -0.101 nan 4.420 nan 0.000 0.217 241 P C 1.591 178.892 177.300 0.003 0.000 1.148 241 P CA 1.603 64.704 63.100 0.002 0.000 0.828 241 P CB -0.299 31.405 31.700 0.007 0.000 0.783 242 A N -0.003 122.821 122.820 0.007 0.000 1.877 242 A HA -0.278 4.041 4.320 -0.001 0.000 0.216 242 A C 2.230 179.817 177.584 0.005 0.000 1.186 242 A CA 1.870 53.910 52.037 0.006 0.000 0.620 242 A CB -1.273 17.731 19.000 0.008 0.000 0.822 242 A HN 0.265 nan 8.150 nan 0.000 0.443 243 Q N -0.857 118.947 119.800 0.005 0.000 2.046 243 Q HA -0.066 4.273 4.340 -0.001 0.000 0.200 243 Q C 1.667 177.669 176.000 0.003 0.000 0.975 243 Q CA 1.127 56.933 55.803 0.005 0.000 0.836 243 Q CB -0.406 28.336 28.738 0.006 0.000 0.896 243 Q HN 0.444 nan 8.270 nan 0.000 0.428 244 L N 0.360 121.585 121.223 0.002 0.000 2.549 244 L HA 0.012 4.352 4.340 -0.001 0.000 0.230 244 L C 1.058 177.926 176.870 -0.004 0.000 1.162 244 L CA 1.616 56.456 54.840 0.000 0.000 0.834 244 L CB -0.972 41.085 42.059 -0.002 0.000 0.947 244 L HN 0.501 nan 8.230 nan 0.000 0.452 245 G N -0.474 108.325 108.800 -0.003 0.000 2.289 245 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.280 245 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.280 245 G C -0.266 174.628 174.900 -0.010 0.000 1.089 245 G CA -0.097 45.000 45.100 -0.004 0.000 0.939 245 G HN 0.099 nan 8.290 nan 0.000 0.499 246 L N -0.921 120.295 121.223 -0.011 0.000 2.341 246 L HA 0.753 5.093 4.340 -0.001 0.000 0.267 246 L C 0.502 177.368 176.870 -0.007 0.000 1.009 246 L CA -1.526 53.303 54.840 -0.018 0.000 0.819 246 L CB 1.958 44.001 42.059 -0.028 0.000 1.323 246 L HN 0.301 nan 8.230 nan 0.000 0.425 247 R N 2.420 122.917 120.500 -0.006 0.000 2.360 247 R HA 0.501 4.840 4.340 -0.001 0.000 0.318 247 R C -2.387 173.927 176.300 0.023 0.000 0.950 247 R CA -1.661 54.444 56.100 0.010 0.000 0.837 247 R CB 1.592 31.899 30.300 0.011 0.000 1.165 247 R HN 0.321 nan 8.270 nan 0.000 0.458 248 P HA -0.005 nan 4.420 nan 0.000 0.265 248 P C -0.552 176.798 177.300 0.083 0.000 1.193 248 P CA 0.308 63.446 63.100 0.063 0.000 0.765 248 P CB 1.287 33.021 31.700 0.056 0.000 0.823 249 A N 3.593 126.499 122.820 0.144 0.000 2.140 249 A HA 0.163 4.482 4.320 -0.001 0.000 0.209 249 A C 0.901 178.579 177.584 0.157 0.000 1.181 249 A CA 0.504 52.645 52.037 0.175 0.000 0.824 249 A CB -0.232 18.915 19.000 0.246 0.000 0.879 249 A HN 0.541 nan 8.150 nan 0.000 0.480 250 M N 0.870 120.547 119.600 0.128 0.000 2.363 250 M HA 0.450 4.930 4.480 -0.001 0.000 0.343 250 M C -1.463 174.806 176.300 -0.053 0.000 1.165 250 M CA 0.146 55.421 55.300 -0.041 0.000 1.046 250 M CB 1.726 34.199 32.600 -0.212 0.000 1.648 250 M HN 0.054 nan 8.290 nan 0.000 0.452 251 T N 5.073 119.568 114.554 -0.098 0.000 3.050 251 T HA 0.384 4.734 4.350 -0.001 0.000 0.310 251 T C -1.276 173.311 174.700 -0.188 0.000 0.978 251 T CA -0.514 61.523 62.100 -0.104 0.000 1.013 251 T CB 1.011 69.838 68.868 -0.069 0.000 1.000 251 T HN 0.534 nan 8.240 nan 0.000 0.447 252 L N 5.031 126.135 121.223 -0.198 0.000 2.255 252 L HA 0.546 4.885 4.340 -0.001 0.000 0.289 252 L C -0.087 176.614 176.870 -0.282 0.000 1.046 252 L CA -0.004 54.676 54.840 -0.266 0.000 0.816 252 L CB 0.031 41.945 42.059 -0.242 0.000 1.197 252 L HN 0.492 nan 8.230 nan 0.000 0.427 253 R N 4.095 124.315 120.500 -0.466 0.000 2.740 253 R HA 0.928 5.268 4.340 -0.001 0.000 0.282 253 R C -1.056 175.023 176.300 -0.368 0.000 0.969 253 R CA -0.918 54.936 56.100 -0.409 0.000 0.918 253 R CB 1.903 31.916 30.300 -0.477 0.000 1.175 253 R HN 0.662 nan 8.270 nan 0.000 0.464 254 A N 1.051 123.766 122.820 -0.175 0.000 2.479 254 A HA 0.695 5.014 4.320 -0.001 0.000 0.296 254 A C -0.949 176.605 177.584 -0.051 0.000 1.121 254 A CA -0.711 51.267 52.037 -0.097 0.000 0.743 254 A CB 2.124 21.069 19.000 -0.091 0.000 1.323 254 A HN 0.546 nan 8.150 nan 0.000 0.415 255 S N 0.862 116.546 115.700 -0.027 0.000 2.449 255 S HA 0.517 4.987 4.470 -0.001 0.000 0.310 255 S C -0.120 174.449 174.600 -0.051 0.000 1.096 255 S CA -0.536 57.651 58.200 -0.021 0.000 1.095 255 S CB 0.710 63.916 63.200 0.009 0.000 1.007 255 S HN 0.539 nan 8.310 nan 0.000 0.474 256 L N 2.375 123.563 121.223 -0.058 0.000 2.514 256 L HA 0.071 4.411 4.340 -0.001 0.000 0.280 256 L C 1.342 178.175 176.870 -0.061 0.000 1.223 256 L CA -0.179 54.615 54.840 -0.077 0.000 0.864 256 L CB 0.122 42.143 42.059 -0.064 0.000 1.118 256 L HN 0.875 nan 8.230 nan 0.000 0.494 257 A N 3.851 126.627 122.820 -0.073 0.000 2.035 257 A HA 0.329 4.649 4.320 -0.001 0.000 0.208 257 A C 0.264 177.818 177.584 -0.049 0.000 1.206 257 A CA 0.470 52.473 52.037 -0.057 0.000 0.773 257 A CB 0.427 19.389 19.000 -0.064 0.000 0.878 257 A HN 0.500 nan 8.150 nan 0.000 0.469 258 L N -1.416 119.773 121.223 -0.057 0.000 2.469 258 L HA 0.676 5.016 4.340 -0.001 0.000 0.256 258 L C -1.794 175.050 176.870 -0.044 0.000 1.006 258 L CA -0.589 54.223 54.840 -0.046 0.000 0.832 258 L CB 2.504 44.534 42.059 -0.049 0.000 1.421 258 L HN -0.070 nan 8.230 nan 0.000 0.410 259 V N 3.150 123.047 119.914 -0.029 0.000 2.655 259 V HA 0.634 4.754 4.120 -0.001 0.000 0.301 259 V C -0.933 175.150 176.094 -0.018 0.000 1.082 259 V CA -0.647 61.646 62.300 -0.012 0.000 0.899 259 V CB 1.856 33.686 31.823 0.011 0.000 1.014 259 V HN 0.860 nan 8.190 nan 0.000 0.429 260 K N 1.814 122.194 120.400 -0.034 0.000 2.499 260 K HA 0.792 5.112 4.320 -0.001 0.000 0.277 260 K C -1.220 175.299 176.600 -0.134 0.000 1.025 260 K CA -0.787 55.454 56.287 -0.077 0.000 0.900 260 K CB 2.453 34.905 32.500 -0.079 0.000 1.494 260 K HN 0.397 nan 8.250 nan 0.000 0.442 261 T N 1.135 115.574 114.554 -0.192 0.000 2.824 261 T HA 0.504 4.853 4.350 -0.001 0.000 0.280 261 T C -0.621 173.972 174.700 -0.180 0.000 0.995 261 T CA -0.690 61.254 62.100 -0.261 0.000 1.009 261 T CB 1.285 69.953 68.868 -0.333 0.000 0.955 261 T HN 0.542 nan 8.240 nan 0.000 0.452 262 V N 1.107 120.927 119.914 -0.156 0.000 2.876 262 V HA 0.829 4.948 4.120 -0.001 0.000 0.312 262 V C -2.808 173.240 176.094 -0.077 0.000 1.085 262 V CA -2.947 59.255 62.300 -0.164 0.000 0.945 262 V CB 1.902 33.565 31.823 -0.266 0.000 1.017 262 V HN 0.603 nan 8.190 nan 0.000 0.428 263 P HA 0.303 nan 4.420 nan 0.000 0.273 263 P C -0.113 177.211 177.300 0.040 0.000 1.250 263 P CA 0.073 63.182 63.100 0.015 0.000 0.793 263 P CB 0.684 32.409 31.700 0.041 0.000 1.011 264 A N 0.080 122.915 122.820 0.025 0.000 2.445 264 A HA 0.453 4.773 4.320 -0.001 0.000 0.242 264 A C 1.377 178.970 177.584 0.014 0.000 1.075 264 A CA 0.518 52.565 52.037 0.016 0.000 0.777 264 A CB -1.412 17.590 19.000 0.003 0.000 1.013 264 A HN 0.888 nan 8.150 nan 0.000 0.493 265 G N 0.290 109.084 108.800 -0.010 0.000 2.143 265 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.248 265 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.248 265 G C 0.108 174.975 174.900 -0.055 0.000 0.991 265 G CA 0.876 45.949 45.100 -0.045 0.000 0.689 265 G HN 1.401 nan 8.290 nan 0.000 0.522 266 H N 0.297 119.315 119.070 -0.088 0.000 2.525 266 H HA 0.536 5.092 4.556 -0.001 0.000 0.339 266 H C 1.083 176.322 175.328 -0.149 0.000 1.109 266 H CA 0.681 56.669 56.048 -0.100 0.000 1.352 266 H CB 0.942 30.679 29.762 -0.042 0.000 1.461 266 H HN 0.353 nan 8.280 nan 0.000 0.533 267 G N 2.505 111.080 108.800 -0.375 0.000 2.395 267 G HA2 0.429 4.389 3.960 -0.001 0.000 0.283 267 G HA3 0.429 4.389 3.960 -0.001 0.000 0.283 267 G C -1.108 173.882 174.900 0.150 0.000 1.178 267 G CA -0.520 44.310 45.100 -0.450 0.000 0.837 267 G HN 0.547 nan 8.290 nan 0.000 0.518 268 V N 1.771 121.868 119.914 0.305 0.000 2.407 268 V HA 0.638 4.758 4.120 -0.001 0.000 0.291 268 V C 0.542 176.816 176.094 0.300 0.000 1.018 268 V CA 0.154 62.655 62.300 0.335 0.000 0.842 268 V CB 0.416 32.456 31.823 0.362 0.000 0.996 268 V HN 1.387 nan 8.190 nan 0.000 0.426 269 S N 3.720 119.525 115.700 0.176 0.000 3.845 269 S HA -0.172 4.297 4.470 -0.001 0.000 0.641 269 S C -0.513 174.099 174.600 0.020 0.000 1.900 269 S CA -0.144 58.056 58.200 -0.000 0.000 2.062 269 S CB -0.532 62.693 63.200 0.041 0.000 0.327 269 S HN 0.675 nan 8.310 nan 0.000 1.788 270 Y N 1.549 121.901 120.300 0.088 0.000 2.702 270 Y HA 0.358 4.909 4.550 0.002 0.000 0.336 270 Y C 2.008 177.912 175.900 0.007 0.000 1.235 270 Y CA 0.835 58.947 58.100 0.020 0.000 1.492 270 Y CB -0.290 38.218 38.460 0.080 0.000 1.308 270 Y HN 1.494 nan 8.280 nan 0.000 0.589 271 G N 0.999 109.821 108.800 0.036 0.000 2.302 271 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.263 271 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.263 271 G C 0.259 174.962 174.900 -0.329 0.000 0.995 271 G CA 0.451 45.418 45.100 -0.222 0.000 0.622 271 G HN 0.966 nan 8.290 nan 0.000 0.538 272 H N -1.171 117.818 119.070 -0.135 0.000 2.770 272 H HA -0.159 4.397 4.556 0.000 0.000 0.309 272 H C 1.240 176.510 175.328 -0.096 0.000 1.206 272 H CA 1.395 57.402 56.048 -0.068 0.000 1.147 272 H CB -1.793 27.928 29.762 -0.067 0.000 1.422 272 H HN 0.848 nan 8.280 nan 0.000 0.420 273 H N -1.738 117.479 119.070 0.245 0.000 2.559 273 H HA 0.081 4.636 4.556 -0.002 0.000 0.273 273 H C 0.470 175.933 175.328 0.224 0.000 1.000 273 H CA 1.210 57.374 56.048 0.193 0.000 1.195 273 H CB 0.328 30.192 29.762 0.170 0.000 1.368 273 H HN 0.442 nan 8.280 nan 0.000 0.592 274 Y N 0.393 120.798 120.300 0.174 0.000 2.373 274 Y HA 0.447 4.996 4.550 -0.001 0.000 0.336 274 Y C -1.542 174.397 175.900 0.065 0.000 0.979 274 Y CA -1.171 56.999 58.100 0.116 0.000 1.080 274 Y CB 1.237 39.770 38.460 0.122 0.000 1.190 274 Y HN -0.287 nan 8.280 nan 0.000 0.446 275 V N 4.481 124.106 119.914 -0.482 0.000 2.604 275 V HA 0.366 4.486 4.120 -0.001 0.000 0.305 275 V C -0.428 175.348 176.094 -0.530 0.000 1.043 275 V CA -0.955 61.137 62.300 -0.346 0.000 0.888 275 V CB 2.076 33.763 31.823 -0.227 0.000 0.995 275 V HN 0.857 nan 8.190 nan 0.000 0.429 276 T N 0.576 115.003 114.554 -0.211 0.000 2.799 276 T HA 0.193 4.543 4.350 -0.001 0.000 0.296 276 T C 0.790 175.427 174.700 -0.104 0.000 0.947 276 T CA -0.345 61.694 62.100 -0.102 0.000 1.141 276 T CB 0.736 69.643 68.868 0.065 0.000 0.891 276 T HN 0.747 nan 8.240 nan 0.000 0.533 277 E N 1.479 121.618 120.200 -0.101 0.000 2.409 277 E HA 0.028 4.378 4.350 -0.001 0.000 0.198 277 E C 1.057 177.642 176.600 -0.024 0.000 1.024 277 E CA 0.454 56.814 56.400 -0.066 0.000 0.861 277 E CB 0.144 29.814 29.700 -0.050 0.000 0.788 277 E HN 0.855 nan 8.360 nan 0.000 0.521 278 S N -1.237 114.461 115.700 -0.002 0.000 2.694 278 S HA 0.136 4.605 4.470 -0.001 0.000 0.273 278 S C -1.149 173.466 174.600 0.025 0.000 1.180 278 S CA -1.107 57.100 58.200 0.012 0.000 0.864 278 S CB 1.037 64.248 63.200 0.018 0.000 1.198 278 S HN -0.017 nan 8.310 nan 0.000 0.499 279 E N 0.538 120.752 120.200 0.024 0.000 2.344 279 E HA 0.481 4.830 4.350 -0.001 0.000 0.270 279 E C -0.512 176.115 176.600 0.046 0.000 1.021 279 E CA 0.274 56.685 56.400 0.018 0.000 0.887 279 E CB 0.931 30.634 29.700 0.005 0.000 0.997 279 E HN 0.621 nan 8.360 nan 0.000 0.429 280 T N 2.716 117.294 114.554 0.040 0.000 2.665 280 T HA 0.282 4.632 4.350 -0.001 0.000 0.303 280 T C -1.760 172.988 174.700 0.080 0.000 1.334 280 T CA -0.753 61.428 62.100 0.135 0.000 1.011 280 T CB 0.528 69.486 68.868 0.149 0.000 1.573 280 T HN 0.461 nan 8.240 nan 0.000 0.492 281 H N 0.869 119.943 119.070 0.007 0.000 2.488 281 H HA 0.685 5.240 4.556 -0.001 0.000 0.322 281 H C -0.418 174.906 175.328 -0.007 0.000 1.078 281 H CA -0.511 55.533 56.048 -0.007 0.000 1.260 281 H CB 0.686 30.442 29.762 -0.009 0.000 1.425 281 H HN 0.332 nan 8.280 nan 0.000 0.471 282 L N 1.878 123.143 121.223 0.071 0.000 2.334 282 L HA 0.776 5.115 4.340 -0.001 0.000 0.276 282 L C -0.066 176.804 176.870 -0.000 0.000 1.014 282 L CA -1.161 53.694 54.840 0.026 0.000 0.815 282 L CB 1.762 43.819 42.059 -0.003 0.000 1.268 282 L HN 0.651 nan 8.230 nan 0.000 0.428 283 A N 2.992 125.795 122.820 -0.029 0.000 2.356 283 A HA 0.677 4.996 4.320 -0.001 0.000 0.310 283 A C -1.240 176.274 177.584 -0.116 0.000 1.075 283 A CA -0.486 51.515 52.037 -0.059 0.000 0.746 283 A CB 1.620 20.588 19.000 -0.053 0.000 1.221 283 A HN 0.596 nan 8.150 nan 0.000 0.443 284 L N 3.726 124.872 121.223 -0.128 0.000 2.255 284 L HA 0.540 4.879 4.340 -0.001 0.000 0.289 284 L C -0.746 175.975 176.870 -0.248 0.000 1.046 284 L CA -0.134 54.598 54.840 -0.180 0.000 0.816 284 L CB 1.149 43.132 42.059 -0.126 0.000 1.197 284 L HN 0.426 nan 8.230 nan 0.000 0.427 285 V N 7.792 127.441 119.914 -0.443 0.000 2.432 285 V HA 0.329 4.448 4.120 -0.001 0.000 0.271 285 V C -1.753 174.106 176.094 -0.393 0.000 1.046 285 V CA -1.170 60.825 62.300 -0.508 0.000 0.945 285 V CB 0.978 32.224 31.823 -0.960 0.000 0.992 285 V HN 0.711 nan 8.190 nan 0.000 0.471 286 P HA 0.382 nan 4.420 nan 0.000 0.220 286 P C -0.472 176.781 177.300 -0.079 0.000 1.806 286 P CA 0.190 63.215 63.100 -0.124 0.000 0.976 286 P CB 0.360 32.009 31.700 -0.085 0.000 1.952 287 A N 0.471 123.263 122.820 -0.046 0.000 2.491 287 A HA 0.702 5.021 4.320 -0.001 0.000 0.293 287 A C -0.268 177.409 177.584 0.155 0.000 1.047 287 A CA -0.419 51.637 52.037 0.032 0.000 0.735 287 A CB 1.270 20.291 19.000 0.036 0.000 1.281 287 A HN 0.351 nan 8.150 nan 0.000 0.398 288 G N -0.246 108.578 108.800 0.040 0.000 3.251 288 G HA2 0.510 4.470 3.960 -0.001 0.000 0.248 288 G HA3 0.510 4.470 3.960 -0.001 0.000 0.248 288 G C 0.380 175.258 174.900 -0.036 0.000 1.320 288 G CA 0.194 45.296 45.100 0.003 0.000 0.982 288 G HN 1.383 nan 8.290 nan 0.000 0.575 289 Y N -1.130 119.186 120.300 0.026 0.000 2.639 289 Y HA 0.348 4.896 4.550 -0.003 0.000 0.297 289 Y C 2.194 178.089 175.900 -0.008 0.000 1.151 289 Y CA 0.661 58.758 58.100 -0.006 0.000 1.335 289 Y CB -0.683 37.779 38.460 0.004 0.000 0.994 289 Y HN 0.301 nan 8.280 nan 0.000 0.548 290 A N 0.261 123.086 122.820 0.007 0.000 2.132 290 A HA -0.008 4.311 4.320 -0.001 0.000 0.213 290 A C 1.516 179.105 177.584 0.010 0.000 1.154 290 A CA 0.946 53.006 52.037 0.039 0.000 0.753 290 A CB -0.280 18.693 19.000 -0.044 0.000 0.826 290 A HN 0.480 nan 8.150 nan 0.000 0.469 291 D N -1.304 119.087 120.400 -0.015 0.000 2.360 291 D HA 0.242 4.882 4.640 -0.001 0.000 0.210 291 D C 1.236 177.506 176.300 -0.049 0.000 1.047 291 D CA 1.076 55.056 54.000 -0.034 0.000 0.854 291 D CB 0.645 41.418 40.800 -0.045 0.000 0.936 291 D HN 0.556 nan 8.370 nan 0.000 0.514 292 G N 1.028 109.812 108.800 -0.027 0.000 2.205 292 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.180 292 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.180 292 G C 0.189 175.030 174.900 -0.098 0.000 1.004 292 G CA -0.541 44.525 45.100 -0.056 0.000 0.670 292 G HN 0.182 nan 8.290 nan 0.000 0.496 293 I N 2.717 123.231 120.570 -0.093 0.000 2.379 293 I HA 0.258 4.427 4.170 -0.001 0.000 0.290 293 I C -1.837 174.264 176.117 -0.027 0.000 1.063 293 I CA -2.250 58.947 61.300 -0.171 0.000 1.351 293 I CB 0.174 38.059 38.000 -0.193 0.000 1.410 293 I HN -0.056 nan 8.210 nan 0.000 0.505 294 P HA 0.052 nan 4.420 nan 0.000 0.262 294 P C 0.718 178.051 177.300 0.055 0.000 1.199 294 P CA -0.044 63.078 63.100 0.036 0.000 0.763 294 P CB 0.699 32.437 31.700 0.063 0.000 0.790 295 R N 3.734 124.259 120.500 0.042 0.000 2.120 295 R HA -0.153 4.187 4.340 -0.001 0.000 0.234 295 R C 1.143 177.453 176.300 0.016 0.000 1.123 295 R CA 1.471 57.599 56.100 0.048 0.000 0.975 295 R CB -0.222 30.021 30.300 -0.095 0.000 0.866 295 R HN 0.392 nan 8.270 nan 0.000 0.446 296 N N 0.071 118.774 118.700 0.005 0.000 2.520 296 N HA -0.074 4.665 4.740 -0.001 0.000 0.185 296 N C 0.826 176.334 175.510 -0.004 0.000 1.068 296 N CA 1.024 54.082 53.050 0.012 0.000 0.911 296 N CB 0.153 38.660 38.487 0.033 0.000 0.961 296 N HN 0.239 nan 8.380 nan 0.000 0.446 297 A N -0.617 122.209 122.820 0.010 0.000 2.302 297 A HA 0.192 4.512 4.320 -0.001 0.000 0.219 297 A C 0.699 178.248 177.584 -0.057 0.000 1.243 297 A CA -0.209 51.814 52.037 -0.022 0.000 0.856 297 A CB -0.038 19.051 19.000 0.147 0.000 0.893 297 A HN 0.056 nan 8.150 nan 0.000 0.491 298 S N 0.319 115.999 115.700 -0.034 0.000 2.571 298 S HA 0.368 4.837 4.470 -0.001 0.000 0.297 298 S C 1.446 176.023 174.600 -0.040 0.000 1.234 298 S CA 1.084 59.264 58.200 -0.034 0.000 1.120 298 S CB -0.139 63.058 63.200 -0.005 0.000 0.923 298 S HN 1.507 nan 8.310 nan 0.000 0.504 299 G N 4.205 112.975 108.800 -0.051 0.000 2.195 299 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.224 299 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.224 299 G C 0.695 175.552 174.900 -0.071 0.000 0.990 299 G CA 0.273 45.355 45.100 -0.030 0.000 0.639 299 G HN 0.631 nan 8.290 nan 0.000 0.514 300 R N 0.067 120.484 120.500 -0.139 0.000 2.492 300 R HA 0.320 4.659 4.340 -0.001 0.000 0.219 300 R C 1.548 177.627 176.300 -0.367 0.000 0.886 300 R CA 0.206 56.183 56.100 -0.204 0.000 1.003 300 R CB 0.276 30.454 30.300 -0.204 0.000 1.345 300 R HN 0.453 nan 8.270 nan 0.000 0.631 301 G N 5.013 113.530 108.800 -0.471 0.000 2.150 301 G HA2 0.054 4.013 3.960 -0.001 0.000 0.250 301 G HA3 0.054 4.013 3.960 -0.001 0.000 0.250 301 G C -2.303 172.081 174.900 -0.860 0.000 1.179 301 G CA -0.426 44.025 45.100 -1.082 0.000 0.934 301 G HN -0.025 nan 8.290 nan 0.000 0.453 302 P HA 0.396 nan 4.420 nan 0.000 0.285 302 P C -0.517 176.747 177.300 -0.061 0.000 1.259 302 P CA -0.397 62.446 63.100 -0.428 0.000 0.794 302 P CB 1.854 33.308 31.700 -0.410 0.000 0.940 303 V N 3.441 123.407 119.914 0.087 0.000 2.925 303 V HA 0.334 4.454 4.120 -0.001 0.000 0.311 303 V C -0.256 175.900 176.094 0.103 0.000 1.104 303 V CA -0.947 61.480 62.300 0.210 0.000 0.954 303 V CB 2.227 34.224 31.823 0.290 0.000 1.022 303 V HN 0.363 nan 8.190 nan 0.000 0.427 304 L N 4.427 125.705 121.223 0.092 0.000 2.264 304 L HA 0.731 5.071 4.340 -0.001 0.000 0.287 304 L C -0.736 176.152 176.870 0.031 0.000 1.039 304 L CA 0.185 55.053 54.840 0.046 0.000 0.829 304 L CB 0.983 43.065 42.059 0.038 0.000 1.211 304 L HN 0.498 nan 8.230 nan 0.000 0.427 305 V N 4.938 124.862 119.914 0.018 0.000 2.531 305 V HA 0.683 4.803 4.120 -0.001 0.000 0.301 305 V C 0.565 176.655 176.094 -0.006 0.000 1.034 305 V CA -0.587 61.714 62.300 0.002 0.000 0.865 305 V CB 1.351 33.172 31.823 -0.004 0.000 0.995 305 V HN 0.960 nan 8.190 nan 0.000 0.424 306 A N 3.854 126.668 122.820 -0.010 0.000 2.362 306 A HA 0.099 4.418 4.320 -0.001 0.000 0.290 306 A C 1.718 179.295 177.584 -0.013 0.000 1.441 306 A CA 1.351 53.380 52.037 -0.014 0.000 0.743 306 A CB -1.456 17.530 19.000 -0.024 0.000 1.125 306 A HN 2.739 nan 8.150 nan 0.000 0.378 307 G N -0.898 107.898 108.800 -0.007 0.000 2.186 307 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.266 307 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.266 307 G C 0.125 175.022 174.900 -0.006 0.000 0.982 307 G CA 1.404 46.500 45.100 -0.006 0.000 0.670 307 G HN 1.440 nan 8.290 nan 0.000 0.533 308 K N -0.478 119.919 120.400 -0.005 0.000 2.527 308 K HA 0.479 4.799 4.320 -0.001 0.000 0.260 308 K C -0.484 176.116 176.600 -0.001 0.000 0.937 308 K CA -1.221 55.063 56.287 -0.005 0.000 0.826 308 K CB 1.876 34.370 32.500 -0.009 0.000 1.359 308 K HN -0.038 nan 8.250 nan 0.000 0.434 309 I N 3.570 124.138 120.570 -0.004 0.000 2.517 309 I HA 0.114 4.284 4.170 -0.001 0.000 0.285 309 I C 0.490 176.601 176.117 -0.010 0.000 1.106 309 I CA 0.093 61.389 61.300 -0.007 0.000 1.402 309 I CB -0.181 37.805 38.000 -0.024 0.000 1.399 309 I HN 0.360 nan 8.210 nan 0.000 0.535 310 R N 5.690 126.192 120.500 0.002 0.000 2.787 310 R HA 0.626 4.966 4.340 -0.001 0.000 0.271 310 R C -0.364 175.931 176.300 -0.008 0.000 0.993 310 R CA -1.241 54.861 56.100 0.002 0.000 0.993 310 R CB 1.148 31.459 30.300 0.018 0.000 1.155 310 R HN 0.321 nan 8.270 nan 0.000 0.486 311 R N 0.409 120.894 120.500 -0.026 0.000 2.474 311 R HA 0.421 4.760 4.340 -0.001 0.000 0.295 311 R C -0.546 175.737 176.300 -0.029 0.000 0.980 311 R CA -0.632 55.431 56.100 -0.060 0.000 0.934 311 R CB 1.531 31.790 30.300 -0.069 0.000 1.101 311 R HN 0.853 nan 8.270 nan 0.000 0.469 312 A N 2.410 125.214 122.820 -0.026 0.000 2.563 312 A HA 0.284 4.603 4.320 -0.001 0.000 0.256 312 A C 0.097 177.653 177.584 -0.048 0.000 1.056 312 A CA 0.501 52.561 52.037 0.039 0.000 0.775 312 A CB -0.476 18.443 19.000 -0.135 0.000 0.973 312 A HN 0.724 nan 8.150 nan 0.000 0.516 313 A N 3.905 126.662 122.820 -0.106 0.000 2.539 313 A HA 0.598 4.918 4.320 -0.001 0.000 0.306 313 A C 1.264 178.718 177.584 -0.216 0.000 1.392 313 A CA 0.714 52.472 52.037 -0.465 0.000 1.060 313 A CB -1.099 17.428 19.000 -0.789 0.000 1.134 313 A HN 2.866 nan 8.150 nan 0.000 0.542 314 G N 1.370 110.152 108.800 -0.030 0.000 2.587 314 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.212 314 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.212 314 G C -0.204 174.782 174.900 0.144 0.000 1.327 314 G CA -0.471 44.731 45.100 0.170 0.000 0.898 314 G HN 0.960 nan 8.290 nan 0.000 0.551 315 R N -0.410 120.218 120.500 0.213 0.000 2.489 315 R HA 0.536 4.876 4.340 -0.001 0.000 0.287 315 R C 0.750 177.156 176.300 0.176 0.000 1.053 315 R CA -0.089 56.127 56.100 0.194 0.000 1.036 315 R CB -0.041 30.445 30.300 0.310 0.000 0.966 315 R HN 0.474 nan 8.270 nan 0.000 0.432 316 I N 2.862 123.520 120.570 0.147 0.000 2.428 316 I HA 0.280 4.449 4.170 -0.001 0.000 0.289 316 I C 0.636 176.914 176.117 0.269 0.000 1.019 316 I CA -0.077 61.311 61.300 0.147 0.000 1.351 316 I CB 1.502 39.501 38.000 -0.003 0.000 1.412 316 I HN 0.679 nan 8.210 nan 0.000 0.513 317 A N 5.718 128.662 122.820 0.206 0.000 2.452 317 A HA 0.462 4.782 4.320 -0.001 0.000 0.285 317 A C 0.914 178.240 177.584 -0.429 0.000 1.209 317 A CA -0.657 51.455 52.037 0.124 0.000 0.940 317 A CB 0.855 19.916 19.000 0.102 0.000 1.440 317 A HN 0.832 nan 8.150 nan 0.000 0.480 318 M N -0.762 118.394 119.600 -0.740 0.000 2.086 318 M HA -0.115 4.364 4.480 -0.001 0.000 0.261 318 M C 0.307 176.296 176.300 -0.517 0.000 1.067 318 M CA 2.169 56.752 55.300 -1.195 0.000 1.116 318 M CB -0.106 32.159 32.600 -0.558 0.000 1.348 318 M HN 0.742 nan 8.290 nan 0.000 0.407 319 D N -0.641 119.616 120.400 -0.238 0.000 2.441 319 D HA 0.065 4.704 4.640 -0.001 0.000 0.210 319 D C 0.440 176.708 176.300 -0.053 0.000 1.102 319 D CA 0.163 54.092 54.000 -0.119 0.000 0.840 319 D CB 0.664 41.417 40.800 -0.078 0.000 0.990 319 D HN 0.499 nan 8.370 nan 0.000 0.505 320 Q N 0.387 120.180 119.800 -0.012 0.000 2.907 320 Q HA 0.341 4.680 4.340 -0.001 0.000 0.310 320 Q C -1.800 174.313 176.000 0.188 0.000 0.861 320 Q CA -0.858 54.970 55.803 0.041 0.000 0.769 320 Q CB 1.377 30.072 28.738 -0.070 0.000 1.465 320 Q HN 0.007 nan 8.270 nan 0.000 0.449 321 F N -1.446 118.479 119.950 -0.041 0.000 2.741 321 F HA 0.764 5.290 4.527 -0.001 0.000 0.311 321 F C -1.398 174.382 175.800 -0.034 0.000 1.149 321 F CA -0.912 57.072 58.000 -0.028 0.000 0.930 321 F CB 1.131 40.139 39.000 0.013 0.000 1.312 321 F HN 0.514 nan 8.300 nan 0.000 0.450 322 V N 1.302 121.259 119.914 0.072 0.000 2.732 322 V HA 0.910 5.030 4.120 -0.001 0.000 0.310 322 V C -1.640 174.458 176.094 0.006 0.000 1.053 322 V CA -0.709 61.556 62.300 -0.058 0.000 0.957 322 V CB 1.643 33.442 31.823 -0.040 0.000 1.018 322 V HN 0.945 nan 8.190 nan 0.000 0.452 323 V N 3.191 123.066 119.914 -0.064 0.000 2.823 323 V HA 0.489 4.608 4.120 -0.001 0.000 0.312 323 V C -0.807 175.254 176.094 -0.056 0.000 1.072 323 V CA -0.548 61.731 62.300 -0.034 0.000 0.937 323 V CB 1.950 33.769 31.823 -0.007 0.000 1.013 323 V HN 1.092 nan 8.190 nan 0.000 0.430 324 D N 4.193 124.554 120.400 -0.065 0.000 2.428 324 D HA 0.244 4.884 4.640 -0.001 0.000 0.221 324 D C 0.886 177.201 176.300 0.026 0.000 1.123 324 D CA -0.177 53.824 54.000 0.001 0.000 0.869 324 D CB 1.435 42.260 40.800 0.042 0.000 1.032 324 D HN 0.463 nan 8.370 nan 0.000 0.506 325 L N 3.283 124.527 121.223 0.035 0.000 2.465 325 L HA 0.028 4.368 4.340 -0.001 0.000 0.224 325 L C 1.861 178.727 176.870 -0.006 0.000 1.145 325 L CA 0.640 55.485 54.840 0.008 0.000 0.834 325 L CB -0.531 41.529 42.059 0.002 0.000 0.944 325 L HN 0.681 nan 8.230 nan 0.000 0.451 326 G N 0.767 109.596 108.800 0.048 0.000 2.596 326 G HA2 -0.460 3.499 3.960 -0.001 0.000 0.304 326 G HA3 -0.460 3.499 3.960 -0.001 0.000 0.304 326 G C 0.707 175.605 174.900 -0.003 0.000 1.189 326 G CA 0.807 45.935 45.100 0.047 0.000 0.986 326 G HN 0.314 nan 8.290 nan 0.000 0.548 327 E N 1.043 121.205 120.200 -0.063 0.000 2.250 327 E HA 0.173 4.523 4.350 -0.001 0.000 0.192 327 E C 0.774 177.198 176.600 -0.294 0.000 0.986 327 E CA 0.644 56.966 56.400 -0.130 0.000 0.849 327 E CB 0.002 29.669 29.700 -0.054 0.000 0.797 327 E HN 0.519 nan 8.360 nan 0.000 0.482 328 D N -0.167 120.096 120.400 -0.228 0.000 2.354 328 D HA 0.120 4.760 4.640 -0.001 0.000 0.238 328 D C -0.052 176.047 176.300 -0.335 0.000 1.250 328 D CA 0.375 54.246 54.000 -0.214 0.000 0.911 328 D CB 0.716 41.447 40.800 -0.114 0.000 1.163 328 D HN 0.071 nan 8.370 nan 0.000 0.456 329 L N -0.196 120.910 121.223 -0.194 0.000 2.354 329 L HA 0.740 5.079 4.340 -0.001 0.000 0.264 329 L C -0.224 176.617 176.870 -0.049 0.000 1.008 329 L CA -0.481 54.283 54.840 -0.126 0.000 0.819 329 L CB 1.879 43.896 42.059 -0.071 0.000 1.339 329 L HN 0.564 nan 8.230 nan 0.000 0.420 330 A N 1.671 124.487 122.820 -0.008 0.000 2.536 330 A HA 0.803 5.123 4.320 -0.001 0.000 0.293 330 A C -1.947 175.642 177.584 0.007 0.000 1.119 330 A CA -0.544 51.489 52.037 -0.005 0.000 0.654 330 A CB 1.954 20.946 19.000 -0.014 0.000 1.291 330 A HN 0.679 nan 8.150 nan 0.000 0.439 331 E N -0.383 119.816 120.200 -0.002 0.000 2.430 331 E HA 0.652 5.001 4.350 -0.001 0.000 0.279 331 E C -0.249 176.344 176.600 -0.012 0.000 1.003 331 E CA -0.723 55.675 56.400 -0.003 0.000 0.801 331 E CB 1.714 31.414 29.700 0.000 0.000 1.313 331 E HN 1.616 nan 8.360 nan 0.000 0.459 332 A N 0.331 123.142 122.820 -0.015 0.000 2.567 332 A HA 0.419 4.738 4.320 -0.001 0.000 0.240 332 A C 1.252 178.827 177.584 -0.015 0.000 1.053 332 A CA 1.236 53.261 52.037 -0.020 0.000 0.755 332 A CB -0.922 18.066 19.000 -0.021 0.000 0.978 332 A HN 1.413 nan 8.150 nan 0.000 0.507 333 G N 2.010 110.800 108.800 -0.016 0.000 2.259 333 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.217 333 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.217 333 G C 0.002 174.899 174.900 -0.004 0.000 1.001 333 G CA 0.181 45.276 45.100 -0.007 0.000 0.627 333 G HN 0.795 nan 8.290 nan 0.000 0.501 334 D N 1.720 122.114 120.400 -0.009 0.000 2.424 334 D HA 0.404 5.043 4.640 -0.001 0.000 0.244 334 D C 0.777 177.071 176.300 -0.010 0.000 1.134 334 D CA 0.364 54.359 54.000 -0.007 0.000 0.881 334 D CB 1.117 41.910 40.800 -0.011 0.000 1.191 334 D HN 0.722 nan 8.370 nan 0.000 0.445 335 E N 0.417 120.616 120.200 -0.001 0.000 2.301 335 E HA 0.486 4.836 4.350 -0.001 0.000 0.275 335 E C -1.421 175.169 176.600 -0.017 0.000 1.030 335 E CA -0.924 55.473 56.400 -0.005 0.000 0.852 335 E CB 1.036 30.744 29.700 0.013 0.000 1.060 335 E HN 0.331 nan 8.360 nan 0.000 0.401 336 A N 3.795 126.597 122.820 -0.030 0.000 2.342 336 A HA 0.474 4.794 4.320 -0.001 0.000 0.323 336 A C -1.003 176.568 177.584 -0.022 0.000 1.125 336 A CA -0.804 51.221 52.037 -0.020 0.000 0.785 336 A CB 1.744 20.726 19.000 -0.030 0.000 1.221 336 A HN 0.461 nan 8.150 nan 0.000 0.463 337 V N 4.477 124.395 119.914 0.006 0.000 2.350 337 V HA 0.170 4.289 4.120 -0.001 0.000 0.276 337 V C 0.801 176.942 176.094 0.077 0.000 1.028 337 V CA 0.061 62.363 62.300 0.002 0.000 0.860 337 V CB 0.742 32.567 31.823 0.004 0.000 0.990 337 V HN 0.908 nan 8.190 nan 0.000 0.453 338 I N 5.314 125.920 120.570 0.061 0.000 2.235 338 I HA 0.018 4.187 4.170 -0.001 0.000 0.241 338 I C 0.412 176.687 176.117 0.265 0.000 1.085 338 I CA 1.368 62.770 61.300 0.170 0.000 1.378 338 I CB 0.116 38.082 38.000 -0.057 0.000 1.076 338 I HN 0.601 nan 8.210 nan 0.000 0.415 339 L N -1.956 119.299 121.223 0.055 0.000 2.472 339 L HA 0.962 5.302 4.340 -0.001 0.000 0.260 339 L C -0.529 176.353 176.870 0.020 0.000 0.963 339 L CA -0.238 54.660 54.840 0.097 0.000 0.829 339 L CB 1.657 43.707 42.059 -0.014 0.000 1.348 339 L HN 0.055 nan 8.230 nan 0.000 0.408 340 G N 0.580 109.411 108.800 0.051 0.000 2.795 340 G HA2 0.237 4.196 3.960 -0.001 0.000 0.127 340 G HA3 0.237 4.196 3.960 -0.001 0.000 0.127 340 G C -1.759 173.164 174.900 0.038 0.000 1.203 340 G CA -0.099 45.014 45.100 0.022 0.000 1.145 340 G HN 0.703 nan 8.290 nan 0.000 0.580 341 D N 0.995 121.413 120.400 0.030 0.000 2.329 341 D HA 0.595 5.234 4.640 -0.001 0.000 0.232 341 D C 1.323 177.641 176.300 0.029 0.000 1.088 341 D CA 0.234 54.253 54.000 0.031 0.000 0.835 341 D CB 1.585 42.399 40.800 0.025 0.000 1.078 341 D HN 0.475 nan 8.370 nan 0.000 0.495 342 A N 3.917 126.756 122.820 0.030 0.000 1.978 342 A HA -0.187 4.132 4.320 -0.001 0.000 0.220 342 A C 1.835 179.430 177.584 0.017 0.000 1.170 342 A CA 1.478 53.529 52.037 0.024 0.000 0.636 342 A CB -0.343 18.671 19.000 0.022 0.000 0.810 342 A HN 0.658 nan 8.150 nan 0.000 0.448 343 E N -0.302 119.909 120.200 0.017 0.000 2.265 343 E HA -0.098 4.252 4.350 -0.001 0.000 0.196 343 E C 1.740 178.348 176.600 0.013 0.000 0.996 343 E CA 0.846 57.254 56.400 0.014 0.000 0.832 343 E CB -0.068 29.640 29.700 0.014 0.000 0.756 343 E HN 0.553 nan 8.360 nan 0.000 0.491 344 R N -1.260 119.249 120.500 0.015 0.000 2.466 344 R HA 0.182 4.522 4.340 -0.001 0.000 0.279 344 R C 0.536 176.843 176.300 0.013 0.000 0.976 344 R CA 0.463 56.571 56.100 0.014 0.000 1.081 344 R CB 0.597 30.906 30.300 0.015 0.000 1.215 344 R HN 0.217 nan 8.270 nan 0.000 0.546 345 G N 1.772 110.579 108.800 0.013 0.000 2.221 345 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.265 345 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.265 345 G C -0.325 174.584 174.900 0.016 0.000 1.041 345 G CA 0.361 45.468 45.100 0.011 0.000 0.807 345 G HN 0.418 nan 8.290 nan 0.000 0.502 346 E N 0.110 120.324 120.200 0.023 0.000 2.222 346 E HA 0.527 4.876 4.350 -0.001 0.000 0.267 346 E C -2.493 174.137 176.600 0.049 0.000 0.963 346 E CA -2.387 54.034 56.400 0.036 0.000 0.837 346 E CB 1.575 31.297 29.700 0.037 0.000 1.183 346 E HN 0.129 nan 8.360 nan 0.000 0.403 347 P HA 0.002 nan 4.420 nan 0.000 0.272 347 P C -0.594 176.793 177.300 0.145 0.000 1.223 347 P CA -0.119 63.037 63.100 0.093 0.000 0.784 347 P CB 0.571 32.358 31.700 0.145 0.000 0.923 348 T N -2.599 112.039 114.554 0.140 0.000 2.927 348 T HA 0.617 4.967 4.350 -0.001 0.000 0.286 348 T C 1.166 176.004 174.700 0.230 0.000 1.040 348 T CA -0.356 61.833 62.100 0.148 0.000 1.010 348 T CB 1.194 70.112 68.868 0.084 0.000 1.177 348 T HN 0.216 nan 8.240 nan 0.000 0.546 349 A N -0.038 122.881 122.820 0.165 0.000 2.019 349 A HA -0.026 4.293 4.320 -0.001 0.000 0.219 349 A C 2.168 179.854 177.584 0.169 0.000 1.164 349 A CA 2.008 54.145 52.037 0.166 0.000 0.644 349 A CB -1.077 17.982 19.000 0.097 0.000 0.805 349 A HN 0.942 nan 8.150 nan 0.000 0.449 350 E N 0.674 120.945 120.200 0.118 0.000 2.072 350 E HA -0.142 4.208 4.350 -0.001 0.000 0.190 350 E C 1.323 177.966 176.600 0.071 0.000 0.982 350 E CA 1.484 57.936 56.400 0.087 0.000 0.803 350 E CB -0.314 29.420 29.700 0.057 0.000 0.755 350 E HN 0.488 nan 8.360 nan 0.000 0.453 351 D N -0.359 120.072 120.400 0.052 0.000 2.116 351 D HA -0.190 4.449 4.640 -0.001 0.000 0.193 351 D C 1.576 177.808 176.300 -0.112 0.000 0.998 351 D CA 1.214 55.182 54.000 -0.053 0.000 0.836 351 D CB -0.547 40.197 40.800 -0.093 0.000 0.951 351 D HN 0.361 nan 8.370 nan 0.000 0.449 352 W N 1.218 122.499 121.300 -0.032 0.000 2.436 352 W HA 0.115 4.774 4.660 -0.001 0.000 0.284 352 W C 2.543 179.035 176.519 -0.046 0.000 1.225 352 W CA 0.916 58.232 57.345 -0.049 0.000 1.271 352 W CB -0.345 29.089 29.460 -0.043 0.000 1.114 352 W HN -0.070 nan 8.180 nan 0.000 0.559 353 A N 0.232 123.167 122.820 0.192 0.000 1.908 353 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 353 A C 1.930 179.552 177.584 0.062 0.000 1.181 353 A CA 1.862 53.976 52.037 0.128 0.000 0.627 353 A CB -0.732 18.341 19.000 0.121 0.000 0.818 353 A HN 0.406 nan 8.150 nan 0.000 0.445 354 Q N -0.705 119.105 119.800 0.016 0.000 2.049 354 Q HA -0.060 4.279 4.340 -0.001 0.000 0.198 354 Q C 2.474 178.378 176.000 -0.161 0.000 0.971 354 Q CA 1.263 57.049 55.803 -0.029 0.000 0.833 354 Q CB -0.467 28.252 28.738 -0.032 0.000 0.896 354 Q HN 0.640 nan 8.270 nan 0.000 0.434 355 A N 1.506 124.202 122.820 -0.206 0.000 1.948 355 A HA -0.114 4.205 4.320 -0.001 0.000 0.220 355 A C 2.150 179.503 177.584 -0.385 0.000 1.177 355 A CA 1.813 53.657 52.037 -0.321 0.000 0.636 355 A CB -0.517 18.245 19.000 -0.397 0.000 0.815 355 A HN 0.382 nan 8.150 nan 0.000 0.449 356 A N -2.330 120.373 122.820 -0.195 0.000 2.345 356 A HA 0.332 4.652 4.320 -0.001 0.000 0.225 356 A C 0.416 177.956 177.584 -0.073 0.000 1.243 356 A CA 0.241 52.206 52.037 -0.119 0.000 0.875 356 A CB -0.364 18.670 19.000 0.057 0.000 0.929 356 A HN 0.585 nan 8.150 nan 0.000 0.502 357 H N -0.315 118.773 119.070 0.031 0.000 2.750 357 H HA -0.122 4.433 4.556 -0.001 0.000 0.327 357 H C 0.318 175.668 175.328 0.037 0.000 1.199 357 H CA 1.300 57.364 56.048 0.025 0.000 1.149 357 H CB -1.903 27.866 29.762 0.012 0.000 1.543 357 H HN 0.508 nan 8.280 nan 0.000 0.427 358 T N -1.085 113.547 114.554 0.131 0.000 2.606 358 T HA 0.702 5.052 4.350 -0.001 0.000 0.289 358 T C -0.397 174.374 174.700 0.118 0.000 1.113 358 T CA -0.142 62.026 62.100 0.113 0.000 1.106 358 T CB 1.541 70.470 68.868 0.101 0.000 1.611 358 T HN 0.359 nan 8.240 nan 0.000 0.471 359 I N -0.057 120.594 120.570 0.136 0.000 2.646 359 I HA 0.812 4.982 4.170 -0.001 0.000 0.299 359 I C 1.379 177.622 176.117 0.210 0.000 1.036 359 I CA -1.140 60.269 61.300 0.183 0.000 1.074 359 I CB 1.785 39.920 38.000 0.224 0.000 1.258 359 I HN 0.657 nan 8.210 nan 0.000 0.430 360 A N 3.766 126.704 122.820 0.196 0.000 1.927 360 A HA -0.222 4.097 4.320 -0.001 0.000 0.220 360 A C 1.946 179.635 177.584 0.175 0.000 1.185 360 A CA 1.833 53.956 52.037 0.144 0.000 0.639 360 A CB -1.246 17.797 19.000 0.070 0.000 0.820 360 A HN 0.901 nan 8.150 nan 0.000 0.451 361 Y N -0.508 119.878 120.300 0.144 0.000 2.096 361 Y HA -0.298 4.251 4.550 -0.001 0.000 0.278 361 Y C 2.550 178.517 175.900 0.111 0.000 1.192 361 Y CA 2.157 60.361 58.100 0.174 0.000 1.143 361 Y CB -0.264 38.291 38.460 0.157 0.000 0.963 361 Y HN 0.472 nan 8.280 nan 0.000 0.505 362 E N -0.266 120.081 120.200 0.246 0.000 2.208 362 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 362 E C 1.913 178.562 176.600 0.082 0.000 0.988 362 E CA 0.738 57.215 56.400 0.129 0.000 0.828 362 E CB 0.017 29.776 29.700 0.098 0.000 0.763 362 E HN 0.317 nan 8.360 nan 0.000 0.478 363 I N 0.968 121.591 120.570 0.089 0.000 2.133 363 I HA -0.222 3.948 4.170 -0.001 0.000 0.238 363 I C 2.748 178.858 176.117 -0.011 0.000 1.074 363 I CA 1.060 62.380 61.300 0.032 0.000 1.342 363 I CB -1.613 36.422 38.000 0.058 0.000 1.053 363 I HN 0.144 nan 8.210 nan 0.000 0.404 364 V N -1.850 118.079 119.914 0.025 0.000 2.626 364 V HA -0.150 3.970 4.120 -0.001 0.000 0.252 364 V C 2.229 178.320 176.094 -0.005 0.000 1.067 364 V CA 1.985 64.279 62.300 -0.010 0.000 1.081 364 V CB -1.417 30.455 31.823 0.082 0.000 0.686 364 V HN 0.327 nan 8.190 nan 0.000 0.468 365 T N 0.296 114.880 114.554 0.050 0.000 2.857 365 T HA 0.030 4.380 4.350 -0.001 0.000 0.266 365 T C 1.728 176.420 174.700 -0.014 0.000 1.048 365 T CA 1.217 63.333 62.100 0.026 0.000 1.139 365 T CB -0.250 68.629 68.868 0.018 0.000 0.874 365 T HN 0.452 nan 8.240 nan 0.000 0.455 366 R N 1.002 121.492 120.500 -0.016 0.000 2.449 366 R HA 0.200 4.540 4.340 -0.001 0.000 0.262 366 R C -0.290 175.982 176.300 -0.047 0.000 1.006 366 R CA -0.127 55.958 56.100 -0.026 0.000 1.104 366 R CB -0.119 30.174 30.300 -0.013 0.000 1.206 366 R HN 0.301 nan 8.270 nan 0.000 0.538 367 I N 1.838 122.364 120.570 -0.072 0.000 2.581 367 I HA -0.004 4.166 4.170 -0.001 0.000 0.285 367 I C 1.442 177.517 176.117 -0.069 0.000 1.129 367 I CA -0.064 61.177 61.300 -0.098 0.000 1.397 367 I CB -0.100 37.815 38.000 -0.142 0.000 1.399 367 I HN 0.138 nan 8.210 nan 0.000 0.537 368 G N 4.840 113.607 108.800 -0.056 0.000 2.707 368 G HA2 0.128 4.087 3.960 -0.001 0.000 0.231 368 G HA3 0.128 4.087 3.960 -0.001 0.000 0.231 368 G C 1.050 175.931 174.900 -0.032 0.000 1.246 368 G CA 0.085 45.164 45.100 -0.035 0.000 0.852 368 G HN 0.882 nan 8.290 nan 0.000 0.584 369 G N -0.140 108.649 108.800 -0.018 0.000 2.623 369 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.214 369 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.214 369 G C 1.569 176.464 174.900 -0.009 0.000 1.138 369 G CA 0.385 45.478 45.100 -0.012 0.000 0.794 369 G HN 0.614 nan 8.290 nan 0.000 0.535 370 R N 0.160 120.653 120.500 -0.012 0.000 2.280 370 R HA 0.075 4.415 4.340 -0.001 0.000 0.207 370 R C -0.086 176.208 176.300 -0.010 0.000 1.043 370 R CA 0.149 56.243 56.100 -0.010 0.000 1.006 370 R CB 0.011 30.304 30.300 -0.012 0.000 0.885 370 R HN 0.167 nan 8.270 nan 0.000 0.467 371 V N 4.217 124.121 119.914 -0.017 0.000 2.348 371 V HA 0.276 4.396 4.120 -0.001 0.000 0.270 371 V C -1.976 174.113 176.094 -0.008 0.000 1.037 371 V CA -1.970 60.320 62.300 -0.016 0.000 0.872 371 V CB 1.011 32.806 31.823 -0.046 0.000 1.002 371 V HN 0.168 nan 8.190 nan 0.000 0.464 372 P HA 0.331 nan 4.420 nan 0.000 0.272 372 P C -0.660 176.639 177.300 -0.002 0.000 1.230 372 P CA -0.508 62.600 63.100 0.014 0.000 0.788 372 P CB 1.093 32.804 31.700 0.018 0.000 0.949 373 R N 0.497 120.970 120.500 -0.044 0.000 2.562 373 R HA 0.609 4.949 4.340 -0.001 0.000 0.298 373 R C -0.957 175.188 176.300 -0.258 0.000 0.961 373 R CA -0.820 55.170 56.100 -0.183 0.000 0.881 373 R CB 1.669 31.827 30.300 -0.236 0.000 1.159 373 R HN 0.203 nan 8.270 nan 0.000 0.450 374 V N 4.218 123.923 119.914 -0.349 0.000 2.483 374 V HA 0.411 4.530 4.120 -0.001 0.000 0.297 374 V C -1.136 174.696 176.094 -0.436 0.000 1.027 374 V CA -0.863 61.280 62.300 -0.263 0.000 0.855 374 V CB 1.285 33.043 31.823 -0.108 0.000 0.995 374 V HN 0.626 nan 8.190 nan 0.000 0.424 375 Y N 4.983 125.231 120.300 -0.087 0.000 2.334 375 Y HA 0.761 5.310 4.550 -0.001 0.000 0.328 375 Y C 0.188 175.914 175.900 -0.290 0.000 1.130 375 Y CA -0.626 57.332 58.100 -0.237 0.000 1.163 375 Y CB 1.390 39.572 38.460 -0.462 0.000 1.207 375 Y HN 0.432 nan 8.280 nan 0.000 0.471 376 L N 1.174 122.348 121.223 -0.082 0.000 2.283 376 L HA 0.856 5.196 4.340 -0.001 0.000 0.259 376 L C 0.667 177.531 176.870 -0.010 0.000 1.027 376 L CA -1.045 53.773 54.840 -0.037 0.000 0.828 376 L CB 1.684 43.747 42.059 0.007 0.000 1.380 376 L HN 0.852 nan 8.230 nan 0.000 0.425 377 G N 0.223 109.055 108.800 0.054 0.000 2.622 377 G HA2 0.180 4.140 3.960 -0.001 0.000 0.272 377 G HA3 0.180 4.140 3.960 -0.001 0.000 0.272 377 G C 0.417 175.404 174.900 0.145 0.000 1.308 377 G CA 0.079 45.230 45.100 0.085 0.000 0.919 377 G HN 1.736 nan 8.290 nan 0.000 0.565 378 G N -2.164 106.714 108.800 0.130 0.000 2.645 378 G HA2 0.099 4.059 3.960 -0.001 0.000 0.246 378 G HA3 0.099 4.059 3.960 -0.001 0.000 0.246 378 G C 0.083 175.025 174.900 0.071 0.000 1.322 378 G CA 0.158 45.365 45.100 0.178 0.000 0.898 378 G HN 1.567 nan 8.290 nan 0.000 0.573 379 L N 0.444 121.554 121.223 -0.188 0.000 2.325 379 L HA 0.393 4.732 4.340 -0.001 0.000 0.279 379 L C 1.738 178.342 176.870 -0.443 0.000 1.054 379 L CA -0.186 54.404 54.840 -0.418 0.000 0.804 379 L CB 1.584 43.172 42.059 -0.785 0.000 1.200 379 L HN 1.005 nan 8.230 nan 0.000 0.436 380 E N 1.329 121.324 120.200 -0.343 0.000 2.086 380 E HA -0.343 4.006 4.350 -0.001 0.000 0.205 380 E C 1.725 177.880 176.600 -0.741 0.000 1.027 380 E CA 2.526 58.618 56.400 -0.514 0.000 0.830 380 E CB -0.020 29.515 29.700 -0.276 0.000 0.751 380 E HN 0.822 nan 8.360 nan 0.000 0.456 381 H N -1.921 116.812 119.070 -0.561 0.000 2.543 381 H HA -0.058 4.497 4.556 -0.001 0.000 0.286 381 H C 1.583 176.756 175.328 -0.259 0.000 1.037 381 H CA 1.431 57.174 56.048 -0.508 0.000 1.250 381 H CB -0.177 29.429 29.762 -0.259 0.000 1.373 381 H HN 0.264 nan 8.280 nan 0.000 0.580 382 H N 0.762 119.378 119.070 -0.758 0.000 2.457 382 H HA -0.044 4.511 4.556 -0.001 0.000 0.294 382 H C 0.510 175.727 175.328 -0.184 0.000 1.064 382 H CA 1.472 57.245 56.048 -0.458 0.000 1.330 382 H CB -0.283 29.340 29.762 -0.231 0.000 1.395 382 H HN 0.925 nan 8.280 nan 0.000 0.541 383 H N -1.959 117.011 119.070 -0.168 0.000 2.539 383 H HA 0.209 4.765 4.556 -0.001 0.000 0.293 383 H C 0.685 176.050 175.328 0.062 0.000 1.156 383 H CA -0.209 55.732 56.048 -0.177 0.000 1.012 383 H CB 0.265 29.959 29.762 -0.113 0.000 1.600 383 H HN 0.147 nan 8.280 nan 0.000 0.538 384 H N -0.185 118.935 119.070 0.083 0.000 2.553 384 H HA 0.162 4.718 4.556 -0.001 0.000 0.276 384 H C 0.262 175.708 175.328 0.196 0.000 0.979 384 H CA 0.309 56.448 56.048 0.152 0.000 1.268 384 H CB 0.496 30.386 29.762 0.213 0.000 1.450 384 H HN 0.473 nan 8.280 nan 0.000 0.527 385 H N 0.000 119.137 119.070 0.111 0.000 2.539 385 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 385 H CA 0.000 56.080 56.048 0.053 0.000 1.023 385 H CB 0.000 29.786 29.762 0.040 0.000 1.292 385 H HN 0.000 nan 8.280 nan 0.000 0.496