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 3hk9_1_B DATA FIRST_RESID 2 DATA SEQUENCE SINSREVLAE KVKNAVNNQP VTDMHTHLFS PNFGEILLWD IDELLTYHYL DATA SEQUENCE VAEVMRWTDV SIEAFWAMSK REQADLIWEE LFIKRSPVSE ACRGVLTCLQ DATA SEQUENCE GLGLDPATRD LQVYREYFAK KTSEEQVDTV LQLANVSDVV MTNDPFDDNE DATA SEQUENCE RISWLEGKQP DSRFHAALRL DPLLNEYEQT KHRLRDWGYK VNDEWNEGSI DATA SEQUENCE QEVKRFLTDW IERMDPVYMA VSLPPTFSFP EESNRGRIIR DCLLPVAEKH DATA SEQUENCE NIPFAMMIGV KKRVHPALGD AGDFVGKASM DGVEHLLREY PNNKFLVTML DATA SEQUENCE SRENQHELVV LARKFSNLMI FGCWWFMNNP EIINEMTRMR MEMLGTSFIP DATA SEQUENCE QHSDARVLEQ LIYKWHHSKS IIAEVLIDKY DDILQAGWEV TEEEIKRDVA DATA SEQUENCE DLFSRNFWRF VGR 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.569 174.600 -0.052 0.000 1.055 2 S CA 0.000 58.158 58.200 -0.070 0.000 1.107 2 S CB 0.000 63.166 63.200 -0.057 0.000 0.593 3 I N 3.803 124.343 120.570 -0.050 0.000 2.452 3 I HA 0.258 4.429 4.170 0.001 0.000 0.287 3 I C 1.350 177.457 176.117 -0.017 0.000 1.079 3 I CA -0.130 61.151 61.300 -0.032 0.000 1.387 3 I CB 0.634 38.609 38.000 -0.040 0.000 1.404 3 I HN 0.474 nan 8.210 nan 0.000 0.522 4 N N 3.745 122.441 118.700 -0.008 0.000 2.257 4 N HA -0.027 4.713 4.740 0.001 0.000 0.200 4 N C 0.231 175.751 175.510 0.016 0.000 1.163 4 N CA -0.160 52.892 53.050 0.004 0.000 0.891 4 N CB 0.526 39.011 38.487 -0.003 0.000 1.067 4 N HN 0.555 nan 8.380 nan 0.000 0.497 5 S N -0.097 115.610 115.700 0.013 0.000 2.578 5 S HA 0.388 4.859 4.470 0.001 0.000 0.283 5 S C 0.928 175.544 174.600 0.026 0.000 1.195 5 S CA -0.819 57.392 58.200 0.019 0.000 1.050 5 S CB 2.832 66.040 63.200 0.013 0.000 1.012 5 S HN 0.206 nan 8.310 nan 0.000 0.511 6 R N 1.253 121.773 120.500 0.033 0.000 2.092 6 R HA -0.113 4.228 4.340 0.001 0.000 0.231 6 R C 2.071 178.394 176.300 0.038 0.000 1.119 6 R CA 1.839 57.965 56.100 0.043 0.000 0.970 6 R CB -0.298 30.029 30.300 0.045 0.000 0.864 6 R HN 0.968 nan 8.270 nan 0.000 0.440 7 E N -0.379 119.839 120.200 0.030 0.000 2.072 7 E HA -0.135 4.216 4.350 0.001 0.000 0.191 7 E C 1.863 178.477 176.600 0.022 0.000 0.985 7 E CA 1.368 57.784 56.400 0.027 0.000 0.801 7 E CB -0.288 29.425 29.700 0.022 0.000 0.750 7 E HN 0.129 nan 8.360 nan 0.000 0.452 8 V N 1.426 121.350 119.914 0.016 0.000 2.358 8 V HA -0.219 3.901 4.120 0.001 0.000 0.246 8 V C 2.373 178.469 176.094 0.004 0.000 1.047 8 V CA 1.412 63.717 62.300 0.007 0.000 1.035 8 V CB -0.507 31.316 31.823 0.000 0.000 0.658 8 V HN 0.194 nan 8.190 nan 0.000 0.452 9 L N 1.179 122.407 121.223 0.009 0.000 1.989 9 L HA -0.138 4.203 4.340 0.001 0.000 0.211 9 L C 2.496 179.383 176.870 0.027 0.000 1.071 9 L CA 2.523 57.365 54.840 0.003 0.000 0.749 9 L CB -1.103 40.974 42.059 0.031 0.000 0.890 9 L HN 0.232 nan 8.230 nan 0.000 0.431 10 A N -0.950 121.899 122.820 0.048 0.000 1.908 10 A HA -0.282 4.039 4.320 0.001 0.000 0.218 10 A C 2.333 179.945 177.584 0.047 0.000 1.181 10 A CA 1.885 53.959 52.037 0.061 0.000 0.627 10 A CB -0.791 18.243 19.000 0.056 0.000 0.818 10 A HN 0.662 nan 8.150 nan 0.000 0.445 11 E N -0.269 119.950 120.200 0.031 0.000 2.051 11 E HA -0.243 4.108 4.350 0.001 0.000 0.192 11 E C 1.692 178.302 176.600 0.018 0.000 0.991 11 E CA 1.390 57.804 56.400 0.023 0.000 0.799 11 E CB -0.083 29.626 29.700 0.015 0.000 0.748 11 E HN 0.354 nan 8.360 nan 0.000 0.449 12 K N 0.417 120.821 120.400 0.006 0.000 2.057 12 K HA -0.070 4.251 4.320 0.001 0.000 0.206 12 K C 2.276 178.882 176.600 0.010 0.000 1.050 12 K CA 0.784 57.068 56.287 -0.006 0.000 0.935 12 K CB -0.716 31.762 32.500 -0.035 0.000 0.715 12 K HN 0.119 nan 8.250 nan 0.000 0.439 13 V N 1.907 121.839 119.914 0.030 0.000 2.261 13 V HA -0.236 3.885 4.120 0.001 0.000 0.246 13 V C 2.357 178.503 176.094 0.087 0.000 1.047 13 V CA 1.717 64.071 62.300 0.091 0.000 1.015 13 V CB -0.387 31.539 31.823 0.171 0.000 0.642 13 V HN 0.324 nan 8.190 nan 0.000 0.446 14 K N -0.010 120.430 120.400 0.067 0.000 2.063 14 K HA -0.190 4.130 4.320 0.001 0.000 0.208 14 K C 2.101 178.716 176.600 0.025 0.000 1.048 14 K CA 1.599 57.915 56.287 0.048 0.000 0.928 14 K CB -0.314 32.210 32.500 0.039 0.000 0.713 14 K HN 0.431 nan 8.250 nan 0.000 0.442 15 N N 0.776 119.488 118.700 0.020 0.000 2.120 15 N HA -0.133 4.608 4.740 0.001 0.000 0.188 15 N C 1.765 177.275 175.510 0.001 0.000 1.024 15 N CA 1.343 54.397 53.050 0.006 0.000 0.852 15 N CB -0.268 38.222 38.487 0.005 0.000 1.003 15 N HN 0.174 nan 8.380 nan 0.000 0.424 16 A N 0.892 123.722 122.820 0.017 0.000 1.877 16 A HA -0.093 4.228 4.320 0.001 0.000 0.216 16 A C 2.569 180.159 177.584 0.008 0.000 1.186 16 A CA 1.403 53.454 52.037 0.024 0.000 0.620 16 A CB -0.855 18.178 19.000 0.054 0.000 0.822 16 A HN 0.107 nan 8.150 nan 0.000 0.443 17 V N 0.800 120.729 119.914 0.025 0.000 2.295 17 V HA -0.309 3.812 4.120 0.001 0.000 0.246 17 V C 2.173 178.161 176.094 -0.177 0.000 1.049 17 V CA 2.335 64.610 62.300 -0.042 0.000 1.024 17 V CB -1.112 30.744 31.823 0.056 0.000 0.648 17 V HN 0.653 nan 8.190 nan 0.000 0.447 18 N N 0.371 119.013 118.700 -0.098 0.000 2.188 18 N HA -0.140 4.601 4.740 0.001 0.000 0.184 18 N C 1.479 176.924 175.510 -0.109 0.000 1.018 18 N CA 1.174 54.162 53.050 -0.103 0.000 0.858 18 N CB -0.135 38.323 38.487 -0.048 0.000 0.989 18 N HN 0.471 nan 8.380 nan 0.000 0.426 19 N N 0.890 119.540 118.700 -0.083 0.000 2.416 19 N HA -0.072 4.668 4.740 0.001 0.000 0.177 19 N C 0.274 175.727 175.510 -0.096 0.000 1.036 19 N CA 0.359 53.366 53.050 -0.072 0.000 0.901 19 N CB -0.074 38.389 38.487 -0.040 0.000 0.976 19 N HN 0.246 nan 8.380 nan 0.000 0.444 20 Q N 2.431 122.153 119.800 -0.131 0.000 2.262 20 Q HA 0.162 4.502 4.340 0.001 0.000 0.272 20 Q C -2.582 173.300 176.000 -0.197 0.000 1.076 20 Q CA -1.455 54.268 55.803 -0.133 0.000 0.905 20 Q CB 0.670 29.337 28.738 -0.117 0.000 1.182 20 Q HN 0.018 nan 8.270 nan 0.000 0.390 21 P HA 0.001 nan 4.420 nan 0.000 0.267 21 P C -1.094 176.098 177.300 -0.180 0.000 1.205 21 P CA -0.077 62.935 63.100 -0.146 0.000 0.765 21 P CB 0.806 32.459 31.700 -0.077 0.000 0.828 22 V N 4.147 123.873 119.914 -0.314 0.000 2.567 22 V HA 0.273 4.393 4.120 0.001 0.000 0.289 22 V C 0.614 176.533 176.094 -0.292 0.000 1.049 22 V CA 0.075 62.116 62.300 -0.432 0.000 0.969 22 V CB 1.489 32.718 31.823 -0.990 0.000 0.995 22 V HN 0.448 nan 8.190 nan 0.000 0.471 23 T N 3.139 117.578 114.554 -0.192 0.000 2.788 23 T HA 0.196 4.546 4.350 0.001 0.000 0.296 23 T C -0.417 174.153 174.700 -0.217 0.000 1.009 23 T CA -0.210 61.828 62.100 -0.103 0.000 0.949 23 T CB 0.427 69.307 68.868 0.021 0.000 0.946 23 T HN 0.710 nan 8.240 nan 0.000 0.453 24 D N 4.469 124.779 120.400 -0.151 0.000 2.441 24 D HA 0.156 4.797 4.640 0.001 0.000 0.221 24 D C 1.151 177.368 176.300 -0.138 0.000 1.156 24 D CA -0.658 53.381 54.000 0.065 0.000 0.896 24 D CB 0.828 41.763 40.800 0.224 0.000 1.028 24 D HN 0.434 nan 8.370 nan 0.000 0.509 25 M N 2.106 121.492 119.600 -0.356 0.000 2.740 25 M HA 0.169 4.649 4.480 0.001 0.000 0.230 25 M C -0.275 175.848 176.300 -0.294 0.000 1.100 25 M CA 0.433 55.309 55.300 -0.706 0.000 1.047 25 M CB -0.348 31.248 32.600 -1.674 0.000 1.652 25 M HN 0.226 nan 8.290 nan 0.000 0.528 26 H N -0.231 118.711 119.070 -0.212 0.000 3.267 26 H HA 0.533 5.089 4.556 0.001 0.000 0.319 26 H C -1.274 174.002 175.328 -0.085 0.000 1.191 26 H CA -0.303 55.622 56.048 -0.205 0.000 1.562 26 H CB 0.681 30.191 29.762 -0.421 0.000 2.076 26 H HN 0.371 nan 8.280 nan 0.000 0.429 27 T N 0.997 115.186 114.554 -0.608 0.000 2.812 27 T HA 0.333 4.684 4.350 0.001 0.000 0.294 27 T C -0.442 173.809 174.700 -0.749 0.000 1.159 27 T CA -0.842 60.940 62.100 -0.529 0.000 1.008 27 T CB 1.696 70.435 68.868 -0.215 0.000 1.289 27 T HN 0.668 nan 8.240 nan 0.000 0.514 28 H N 0.420 119.292 119.070 -0.331 0.000 2.467 28 H HA 0.437 4.994 4.556 0.001 0.000 0.275 28 H C -0.289 174.775 175.328 -0.439 0.000 1.131 28 H CA -0.163 55.680 56.048 -0.343 0.000 0.989 28 H CB 0.151 29.839 29.762 -0.123 0.000 1.696 28 H HN 0.315 nan 8.280 nan 0.000 0.574 29 L N 0.363 121.359 121.223 -0.378 0.000 2.352 29 L HA 0.432 4.773 4.340 0.001 0.000 0.269 29 L C -0.569 175.982 176.870 -0.532 0.000 1.034 29 L CA -0.681 54.023 54.840 -0.227 0.000 0.806 29 L CB 1.143 43.226 42.059 0.040 0.000 1.244 29 L HN -0.054 nan 8.230 nan 0.000 0.447 30 F N -0.871 119.025 119.950 -0.090 0.000 2.576 30 F HA 0.291 4.819 4.527 0.001 0.000 0.313 30 F C 0.491 175.811 175.800 -0.800 0.000 1.078 30 F CA -0.732 57.035 58.000 -0.388 0.000 0.921 30 F CB 1.964 40.752 39.000 -0.353 0.000 1.232 30 F HN 0.290 nan 8.300 nan 0.000 0.459 31 S N 3.717 118.776 115.700 -1.069 0.000 2.558 31 S HA 0.041 4.511 4.470 0.001 0.000 0.293 31 S C -1.124 173.149 174.600 -0.545 0.000 1.292 31 S CA -0.976 56.363 58.200 -1.435 0.000 1.063 31 S CB 0.605 63.411 63.200 -0.658 0.000 0.831 31 S HN 0.490 nan 8.310 nan 0.000 0.499 32 P HA -0.162 nan 4.420 nan 0.000 0.221 32 P C 0.857 178.133 177.300 -0.040 0.000 1.145 32 P CA 1.087 64.097 63.100 -0.150 0.000 0.795 32 P CB -0.235 31.387 31.700 -0.129 0.000 0.775 33 N N -0.477 118.214 118.700 -0.015 0.000 2.512 33 N HA -0.119 4.622 4.740 0.001 0.000 0.183 33 N C 1.284 176.775 175.510 -0.031 0.000 1.073 33 N CA 0.568 53.607 53.050 -0.018 0.000 0.911 33 N CB -1.293 37.167 38.487 -0.044 0.000 0.964 33 N HN 0.105 nan 8.380 nan 0.000 0.447 34 F N 0.915 120.746 119.950 -0.198 0.000 2.661 34 F HA 0.243 4.771 4.527 0.001 0.000 0.298 34 F C 1.967 177.661 175.800 -0.175 0.000 1.137 34 F CA 0.697 58.565 58.000 -0.219 0.000 1.454 34 F CB -0.371 38.477 39.000 -0.253 0.000 1.103 34 F HN 0.354 nan 8.300 nan 0.000 0.577 35 G N -0.006 108.816 108.800 0.036 0.000 2.447 35 G HA2 -0.196 3.765 3.960 0.001 0.000 0.220 35 G HA3 -0.196 3.765 3.960 0.001 0.000 0.220 35 G C 0.491 175.422 174.900 0.051 0.000 1.261 35 G CA -0.302 44.806 45.100 0.014 0.000 1.000 35 G HN 0.176 nan 8.290 nan 0.000 0.515 36 E N -0.352 119.876 120.200 0.046 0.000 2.510 36 E HA -0.013 4.338 4.350 0.001 0.000 0.202 36 E C 2.203 178.842 176.600 0.065 0.000 1.072 36 E CA 0.632 57.078 56.400 0.077 0.000 0.883 36 E CB 0.166 29.894 29.700 0.047 0.000 0.818 36 E HN 0.459 nan 8.360 nan 0.000 0.548 37 I N 1.312 121.880 120.570 -0.003 0.000 2.567 37 I HA -0.147 4.024 4.170 0.001 0.000 0.257 37 I C 0.670 176.848 176.117 0.102 0.000 1.184 37 I CA 0.249 61.499 61.300 -0.083 0.000 1.451 37 I CB 0.278 38.030 38.000 -0.413 0.000 1.089 37 I HN 0.062 nan 8.210 nan 0.000 0.441 38 L N 2.816 124.151 121.223 0.186 0.000 2.325 38 L HA 0.316 4.657 4.340 0.001 0.000 0.284 38 L C -0.584 176.488 176.870 0.337 0.000 1.089 38 L CA 0.107 55.133 54.840 0.310 0.000 0.836 38 L CB 0.444 42.633 42.059 0.217 0.000 1.184 38 L HN -0.024 nan 8.230 nan 0.000 0.444 39 L N 6.722 128.129 121.223 0.306 0.000 2.350 39 L HA 0.533 4.873 4.340 0.001 0.000 0.275 39 L C -0.487 176.588 176.870 0.341 0.000 1.099 39 L CA -0.429 54.559 54.840 0.247 0.000 0.808 39 L CB 0.800 42.958 42.059 0.164 0.000 1.149 39 L HN 0.766 nan 8.230 nan 0.000 0.442 40 W N 2.899 124.212 121.300 0.020 0.000 3.153 40 W HA 0.521 5.181 4.660 0.001 0.000 0.316 40 W C -1.729 174.727 176.519 -0.106 0.000 1.255 40 W CA -1.159 56.181 57.345 -0.008 0.000 1.192 40 W CB 0.845 30.343 29.460 0.063 0.000 1.400 40 W HN 0.703 nan 8.180 nan 0.000 0.568 41 D N -0.552 119.764 120.400 -0.140 0.000 10.478 41 D HA -0.233 4.408 4.640 0.001 0.000 0.333 41 D C -0.362 175.423 176.300 -0.858 0.000 3.155 41 D CA 0.175 53.621 54.000 -0.924 0.000 2.684 41 D CB -0.807 39.403 40.800 -0.984 0.000 1.281 41 D HN 0.461 nan 8.370 nan 0.000 0.955 42 I N 0.451 120.263 120.570 -1.263 0.000 2.264 42 I HA -0.161 4.009 4.170 0.001 0.000 0.248 42 I C 1.491 177.442 176.117 -0.277 0.000 1.111 42 I CA 1.892 62.877 61.300 -0.525 0.000 1.382 42 I CB -0.503 37.331 38.000 -0.277 0.000 1.060 42 I HN 0.453 nan 8.210 nan 0.000 0.418 43 D N 0.272 120.503 120.400 -0.282 0.000 2.183 43 D HA -0.135 4.505 4.640 0.001 0.000 0.203 43 D C 2.034 178.284 176.300 -0.083 0.000 0.969 43 D CA 0.862 54.775 54.000 -0.146 0.000 0.842 43 D CB -0.106 40.608 40.800 -0.145 0.000 0.957 43 D HN 0.432 nan 8.370 nan 0.000 0.484 44 E N 0.722 120.840 120.200 -0.136 0.000 2.072 44 E HA -0.059 4.291 4.350 0.001 0.000 0.191 44 E C 2.544 179.153 176.600 0.015 0.000 0.985 44 E CA 0.154 56.527 56.400 -0.045 0.000 0.801 44 E CB -0.258 29.395 29.700 -0.078 0.000 0.750 44 E HN 0.349 nan 8.360 nan 0.000 0.452 45 L N 0.413 121.612 121.223 -0.040 0.000 2.017 45 L HA -0.178 4.163 4.340 0.001 0.000 0.208 45 L C 2.579 179.523 176.870 0.123 0.000 1.073 45 L CA 0.982 55.826 54.840 0.007 0.000 0.745 45 L CB -0.455 41.591 42.059 -0.022 0.000 0.894 45 L HN 0.116 nan 8.230 nan 0.000 0.432 46 L N -0.525 120.765 121.223 0.112 0.000 2.275 46 L HA -0.134 4.207 4.340 0.001 0.000 0.215 46 L C 2.245 179.272 176.870 0.261 0.000 1.119 46 L CA 1.463 56.424 54.840 0.202 0.000 0.790 46 L CB -0.588 41.563 42.059 0.153 0.000 0.919 46 L HN 0.444 nan 8.230 nan 0.000 0.443 47 T N -4.835 109.863 114.554 0.241 0.000 3.122 47 T HA -0.008 4.343 4.350 0.001 0.000 0.250 47 T C 0.487 175.410 174.700 0.372 0.000 1.067 47 T CA -0.426 61.862 62.100 0.314 0.000 0.966 47 T CB -0.373 68.656 68.868 0.269 0.000 1.002 47 T HN 0.057 nan 8.240 nan 0.000 0.542 48 Y N 4.427 124.829 120.300 0.171 0.000 2.903 48 Y HA 0.019 4.569 4.550 0.001 0.000 0.338 48 Y C 1.572 177.596 175.900 0.208 0.000 1.265 48 Y CA -0.482 57.690 58.100 0.120 0.000 1.532 48 Y CB 0.374 38.846 38.460 0.019 0.000 1.293 48 Y HN 0.531 nan 8.280 nan 0.000 0.609 49 H N 2.707 121.863 119.070 0.143 0.000 2.489 49 H HA -0.167 4.390 4.556 0.001 0.000 0.293 49 H C 1.070 176.438 175.328 0.066 0.000 1.066 49 H CA 2.022 58.143 56.048 0.121 0.000 1.305 49 H CB -0.690 29.166 29.762 0.156 0.000 1.386 49 H HN 0.678 nan 8.280 nan 0.000 0.551 50 Y N 0.539 120.426 120.300 -0.688 0.000 2.224 50 Y HA -0.064 4.487 4.550 0.001 0.000 0.289 50 Y C 2.003 177.866 175.900 -0.061 0.000 1.146 50 Y CA 0.941 58.825 58.100 -0.360 0.000 1.182 50 Y CB -0.377 37.773 38.460 -0.517 0.000 0.983 50 Y HN 0.256 nan 8.280 nan 0.000 0.524 51 L N -1.771 119.562 121.223 0.182 0.000 2.313 51 L HA -0.075 4.266 4.340 0.001 0.000 0.214 51 L C 2.236 179.159 176.870 0.089 0.000 1.119 51 L CA 0.609 55.559 54.840 0.184 0.000 0.809 51 L CB -0.843 41.379 42.059 0.272 0.000 0.933 51 L HN -0.025 nan 8.230 nan 0.000 0.449 52 V N -0.228 119.723 119.914 0.060 0.000 2.307 52 V HA -0.267 3.854 4.120 0.001 0.000 0.245 52 V C 2.705 178.694 176.094 -0.175 0.000 1.045 52 V CA 1.680 63.888 62.300 -0.155 0.000 1.024 52 V CB -1.040 30.743 31.823 -0.066 0.000 0.651 52 V HN 0.470 nan 8.190 nan 0.000 0.449 53 A N -0.335 122.465 122.820 -0.033 0.000 1.908 53 A HA -0.269 4.051 4.320 0.001 0.000 0.218 53 A C 2.172 179.721 177.584 -0.059 0.000 1.181 53 A CA 2.078 54.089 52.037 -0.043 0.000 0.627 53 A CB -0.510 18.510 19.000 0.032 0.000 0.818 53 A HN 0.633 nan 8.150 nan 0.000 0.445 54 E N -0.881 119.313 120.200 -0.009 0.000 2.072 54 E HA -0.113 4.237 4.350 0.001 0.000 0.191 54 E C 1.924 178.547 176.600 0.039 0.000 0.985 54 E CA 1.104 57.511 56.400 0.012 0.000 0.801 54 E CB -0.267 29.474 29.700 0.067 0.000 0.750 54 E HN 0.369 nan 8.360 nan 0.000 0.452 55 V N 0.994 120.921 119.914 0.022 0.000 2.626 55 V HA -0.197 3.924 4.120 0.001 0.000 0.252 55 V C 1.857 177.943 176.094 -0.014 0.000 1.067 55 V CA 1.176 63.508 62.300 0.052 0.000 1.081 55 V CB -0.142 31.680 31.823 -0.002 0.000 0.686 55 V HN 0.299 nan 8.190 nan 0.000 0.468 56 M N -0.629 118.891 119.600 -0.132 0.000 2.374 56 M HA -0.026 4.454 4.480 0.001 0.000 0.264 56 M C 2.079 178.320 176.300 -0.099 0.000 1.067 56 M CA 1.327 56.541 55.300 -0.144 0.000 1.103 56 M CB -1.188 31.289 32.600 -0.204 0.000 1.402 56 M HN 0.334 nan 8.290 nan 0.000 0.444 57 R N -2.080 118.339 120.500 -0.134 0.000 2.236 57 R HA -0.106 4.235 4.340 0.001 0.000 0.208 57 R C 1.603 177.715 176.300 -0.314 0.000 1.036 57 R CA 0.940 56.880 56.100 -0.267 0.000 1.001 57 R CB 0.059 30.118 30.300 -0.401 0.000 0.896 57 R HN 0.446 nan 8.270 nan 0.000 0.464 58 W N -0.570 120.697 121.300 -0.055 0.000 3.127 58 W HA 0.120 4.781 4.660 0.001 0.000 0.248 58 W C 1.143 177.642 176.519 -0.032 0.000 1.058 58 W CA -0.325 56.995 57.345 -0.042 0.000 1.783 58 W CB -0.240 29.196 29.460 -0.039 0.000 1.030 58 W HN -0.232 nan 8.180 nan 0.000 0.653 59 T N 1.755 116.444 114.554 0.225 0.000 2.932 59 T HA -0.060 4.290 4.350 0.001 0.000 0.312 59 T C 0.782 175.529 174.700 0.079 0.000 1.071 59 T CA 0.555 62.730 62.100 0.126 0.000 1.128 59 T CB 0.682 69.601 68.868 0.085 0.000 0.984 59 T HN 0.196 nan 8.240 nan 0.000 0.549 60 D N 2.606 123.048 120.400 0.070 0.000 2.350 60 D HA 0.022 4.663 4.640 0.001 0.000 0.213 60 D C 0.584 176.910 176.300 0.044 0.000 1.031 60 D CA -0.017 54.013 54.000 0.051 0.000 0.861 60 D CB -0.346 40.483 40.800 0.049 0.000 0.926 60 D HN 0.297 nan 8.370 nan 0.000 0.520 61 V N 2.279 122.224 119.914 0.051 0.000 2.479 61 V HA 0.102 4.223 4.120 0.001 0.000 0.281 61 V C 0.952 177.070 176.094 0.040 0.000 1.031 61 V CA -0.421 61.913 62.300 0.056 0.000 1.038 61 V CB 0.518 32.393 31.823 0.086 0.000 0.981 61 V HN 0.367 nan 8.190 nan 0.000 0.478 62 S N 5.066 120.792 115.700 0.043 0.000 2.573 62 S HA 0.121 4.592 4.470 0.001 0.000 0.277 62 S C 1.079 175.696 174.600 0.028 0.000 1.346 62 S CA -0.368 57.854 58.200 0.036 0.000 1.034 62 S CB 0.698 63.929 63.200 0.052 0.000 0.879 62 S HN 0.604 nan 8.310 nan 0.000 0.528 63 I N 1.768 122.333 120.570 -0.009 0.000 2.264 63 I HA -0.141 4.030 4.170 0.001 0.000 0.248 63 I C 2.050 178.178 176.117 0.019 0.000 1.111 63 I CA 1.719 62.964 61.300 -0.093 0.000 1.382 63 I CB -0.734 37.224 38.000 -0.070 0.000 1.060 63 I HN 0.860 nan 8.210 nan 0.000 0.418 64 E N 0.746 121.030 120.200 0.140 0.000 2.051 64 E HA -0.169 4.182 4.350 0.001 0.000 0.192 64 E C 2.281 178.993 176.600 0.186 0.000 0.991 64 E CA 1.585 58.119 56.400 0.223 0.000 0.799 64 E CB -0.650 29.148 29.700 0.164 0.000 0.748 64 E HN 0.595 nan 8.360 nan 0.000 0.449 65 A N 0.451 123.343 122.820 0.121 0.000 1.933 65 A HA -0.163 4.158 4.320 0.001 0.000 0.218 65 A C 2.063 179.697 177.584 0.083 0.000 1.175 65 A CA 1.177 53.271 52.037 0.095 0.000 0.628 65 A CB -0.793 18.252 19.000 0.074 0.000 0.814 65 A HN 0.326 nan 8.150 nan 0.000 0.444 66 F N -0.621 119.273 119.950 -0.094 0.000 2.069 66 F HA -0.228 4.300 4.527 0.001 0.000 0.298 66 F C 2.082 177.827 175.800 -0.091 0.000 1.113 66 F CA 1.951 59.836 58.000 -0.191 0.000 1.214 66 F CB -0.609 38.121 39.000 -0.449 0.000 0.978 66 F HN 0.420 nan 8.300 nan 0.000 0.474 67 W N 0.035 121.414 121.300 0.133 0.000 2.350 67 W HA -0.136 4.525 4.660 0.001 0.000 0.289 67 W C 2.515 179.002 176.519 -0.053 0.000 1.215 67 W CA 0.681 58.042 57.345 0.027 0.000 1.236 67 W CB -0.590 28.943 29.460 0.121 0.000 1.130 67 W HN 0.133 nan 8.180 nan 0.000 0.541 68 A N -0.074 122.858 122.820 0.186 0.000 2.015 68 A HA -0.040 4.280 4.320 0.001 0.000 0.219 68 A C 1.260 178.854 177.584 0.018 0.000 1.163 68 A CA 0.584 52.678 52.037 0.097 0.000 0.646 68 A CB -0.589 18.461 19.000 0.083 0.000 0.806 68 A HN 0.110 nan 8.150 nan 0.000 0.448 69 M N 1.030 120.594 119.600 -0.061 0.000 2.240 69 M HA 0.139 4.619 4.480 0.001 0.000 0.317 69 M C 0.936 177.171 176.300 -0.108 0.000 1.087 69 M CA -0.054 55.179 55.300 -0.113 0.000 1.176 69 M CB 0.546 33.015 32.600 -0.217 0.000 1.439 69 M HN 0.447 nan 8.290 nan 0.000 0.452 70 S N 0.767 116.418 115.700 -0.082 0.000 2.624 70 S HA 0.177 4.647 4.470 0.001 0.000 0.263 70 S C 0.710 175.257 174.600 -0.087 0.000 1.287 70 S CA -0.763 57.400 58.200 -0.061 0.000 0.990 70 S CB 1.274 64.449 63.200 -0.043 0.000 0.950 70 S HN 0.731 nan 8.310 nan 0.000 0.561 71 K N 1.218 121.583 120.400 -0.058 0.000 2.032 71 K HA -0.150 4.171 4.320 0.001 0.000 0.209 71 K C 2.307 178.874 176.600 -0.054 0.000 1.048 71 K CA 1.960 58.217 56.287 -0.050 0.000 0.927 71 K CB -0.465 32.014 32.500 -0.034 0.000 0.712 71 K HN 0.743 nan 8.250 nan 0.000 0.441 72 R N 0.386 120.853 120.500 -0.055 0.000 2.115 72 R HA -0.089 4.252 4.340 0.001 0.000 0.230 72 R C 1.756 178.033 176.300 -0.039 0.000 1.111 72 R CA 1.806 57.875 56.100 -0.052 0.000 0.976 72 R CB -0.073 30.195 30.300 -0.053 0.000 0.870 72 R HN 0.380 nan 8.270 nan 0.000 0.445 73 E N -0.071 120.100 120.200 -0.049 0.000 2.152 73 E HA -0.171 4.180 4.350 0.001 0.000 0.192 73 E C 2.069 178.647 176.600 -0.037 0.000 0.983 73 E CA 0.971 57.347 56.400 -0.038 0.000 0.818 73 E CB 0.090 29.760 29.700 -0.050 0.000 0.758 73 E HN 0.510 nan 8.360 nan 0.000 0.467 74 Q N 0.481 120.219 119.800 -0.105 0.000 2.079 74 Q HA -0.080 4.260 4.340 0.001 0.000 0.200 74 Q C 2.287 178.361 176.000 0.125 0.000 0.974 74 Q CA 1.191 56.926 55.803 -0.112 0.000 0.840 74 Q CB -0.129 28.376 28.738 -0.389 0.000 0.898 74 Q HN 0.215 nan 8.270 nan 0.000 0.430 75 A N 1.671 124.537 122.820 0.078 0.000 1.902 75 A HA -0.223 4.098 4.320 0.001 0.000 0.217 75 A C 1.657 179.326 177.584 0.141 0.000 1.181 75 A CA 1.739 53.841 52.037 0.109 0.000 0.623 75 A CB -0.422 18.591 19.000 0.022 0.000 0.818 75 A HN 0.236 nan 8.150 nan 0.000 0.443 76 D N -0.425 120.030 120.400 0.092 0.000 2.117 76 D HA -0.129 4.511 4.640 0.001 0.000 0.197 76 D C 1.864 178.279 176.300 0.192 0.000 0.987 76 D CA 1.325 55.397 54.000 0.120 0.000 0.829 76 D CB -0.358 40.477 40.800 0.058 0.000 0.961 76 D HN 0.360 nan 8.370 nan 0.000 0.460 77 L N 1.007 122.333 121.223 0.172 0.000 2.017 77 L HA -0.089 4.252 4.340 0.001 0.000 0.208 77 L C 2.221 179.225 176.870 0.224 0.000 1.073 77 L CA 1.320 56.271 54.840 0.186 0.000 0.745 77 L CB -0.491 41.689 42.059 0.202 0.000 0.894 77 L HN -0.038 nan 8.230 nan 0.000 0.432 78 I N -1.646 119.089 120.570 0.275 0.000 2.286 78 I HA -0.338 3.832 4.170 0.001 0.000 0.248 78 I C 2.388 178.731 176.117 0.376 0.000 1.115 78 I CA 1.580 63.061 61.300 0.302 0.000 1.392 78 I CB -0.584 37.612 38.000 0.328 0.000 1.065 78 I HN 0.580 nan 8.210 nan 0.000 0.418 79 W N 2.270 123.650 121.300 0.132 0.000 2.355 79 W HA -0.267 4.394 4.660 0.001 0.000 0.309 79 W C 2.423 179.043 176.519 0.167 0.000 1.206 79 W CA 2.091 59.462 57.345 0.044 0.000 1.284 79 W CB -0.093 29.304 29.460 -0.104 0.000 1.145 79 W HN 0.156 nan 8.180 nan 0.000 0.502 80 E N 0.721 121.066 120.200 0.241 0.000 2.051 80 E HA -0.233 4.118 4.350 0.001 0.000 0.192 80 E C 2.001 178.606 176.600 0.009 0.000 0.991 80 E CA 2.026 58.489 56.400 0.105 0.000 0.799 80 E CB -0.513 29.265 29.700 0.131 0.000 0.748 80 E HN 0.100 nan 8.360 nan 0.000 0.449 81 E N -0.031 120.196 120.200 0.045 0.000 2.072 81 E HA -0.101 4.250 4.350 0.001 0.000 0.191 81 E C 2.197 178.712 176.600 -0.142 0.000 0.985 81 E CA 1.021 57.397 56.400 -0.040 0.000 0.801 81 E CB -0.099 29.632 29.700 0.052 0.000 0.750 81 E HN 0.389 nan 8.360 nan 0.000 0.452 82 L N -1.247 119.968 121.223 -0.013 0.000 2.513 82 L HA 0.136 4.477 4.340 0.001 0.000 0.222 82 L C 1.788 178.427 176.870 -0.384 0.000 1.096 82 L CA 0.219 54.968 54.840 -0.152 0.000 0.857 82 L CB -0.021 41.996 42.059 -0.070 0.000 1.026 82 L HN 0.011 nan 8.230 nan 0.000 0.469 83 F N -1.114 118.607 119.950 -0.382 0.000 2.592 83 F HA 0.154 4.682 4.527 0.001 0.000 0.280 83 F C 2.067 177.590 175.800 -0.461 0.000 1.083 83 F CA -0.001 57.675 58.000 -0.540 0.000 1.365 83 F CB 0.373 38.718 39.000 -1.093 0.000 1.100 83 F HN -0.171 nan 8.300 nan 0.000 0.633 84 I N 0.221 120.660 120.570 -0.218 0.000 2.556 84 I HA -0.036 4.134 4.170 0.001 0.000 0.251 84 I C 1.851 177.876 176.117 -0.154 0.000 1.105 84 I CA 1.101 62.307 61.300 -0.157 0.000 1.436 84 I CB -1.089 36.859 38.000 -0.088 0.000 1.139 84 I HN 0.065 nan 8.210 nan 0.000 0.438 85 K N 0.765 121.050 120.400 -0.191 0.000 2.217 85 K HA -0.025 4.296 4.320 0.001 0.000 0.202 85 K C 0.089 176.489 176.600 -0.335 0.000 1.051 85 K CA 0.710 56.850 56.287 -0.244 0.000 0.952 85 K CB 0.201 32.533 32.500 -0.280 0.000 0.736 85 K HN 0.174 nan 8.250 nan 0.000 0.453 86 R N -0.534 119.746 120.500 -0.366 0.000 2.698 86 R HA 0.230 4.570 4.340 0.001 0.000 0.275 86 R C -1.092 175.045 176.300 -0.271 0.000 1.001 86 R CA -0.417 55.468 56.100 -0.359 0.000 0.896 86 R CB 1.947 31.926 30.300 -0.535 0.000 1.218 86 R HN -0.151 nan 8.270 nan 0.000 0.462 87 S N 3.983 119.564 115.700 -0.198 0.000 2.552 87 S HA 0.098 4.568 4.470 0.001 0.000 0.289 87 S C -1.843 172.610 174.600 -0.245 0.000 1.304 87 S CA -0.442 57.649 58.200 -0.181 0.000 1.063 87 S CB 0.405 63.535 63.200 -0.116 0.000 0.848 87 S HN 0.441 nan 8.310 nan 0.000 0.499 88 P HA 0.088 nan 4.420 nan 0.000 0.226 88 P C 0.761 177.883 177.300 -0.297 0.000 1.783 88 P CA -0.123 62.663 63.100 -0.524 0.000 0.980 88 P CB -0.448 30.739 31.700 -0.854 0.000 1.967 89 V N -0.816 118.987 119.914 -0.186 0.000 3.406 89 V HA 0.011 4.132 4.120 0.001 0.000 0.263 89 V C 1.151 177.199 176.094 -0.078 0.000 1.172 89 V CA 0.464 62.699 62.300 -0.108 0.000 1.140 89 V CB -1.268 30.515 31.823 -0.067 0.000 0.784 89 V HN 0.358 nan 8.190 nan 0.000 0.467 90 S N 0.540 116.191 115.700 -0.081 0.000 2.576 90 S HA 0.114 4.584 4.470 0.001 0.000 0.272 90 S C 1.097 175.693 174.600 -0.006 0.000 1.352 90 S CA 0.621 58.807 58.200 -0.023 0.000 1.021 90 S CB 1.278 64.476 63.200 -0.004 0.000 0.887 90 S HN 0.521 nan 8.310 nan 0.000 0.542 91 E N 2.046 122.281 120.200 0.058 0.000 2.058 91 E HA -0.130 4.221 4.350 0.001 0.000 0.194 91 E C 2.067 178.734 176.600 0.111 0.000 0.997 91 E CA 1.992 58.458 56.400 0.110 0.000 0.801 91 E CB -0.985 28.830 29.700 0.191 0.000 0.746 91 E HN 0.818 nan 8.360 nan 0.000 0.450 92 A N -0.200 122.712 122.820 0.153 0.000 1.902 92 A HA -0.186 4.135 4.320 0.001 0.000 0.217 92 A C 2.583 180.171 177.584 0.007 0.000 1.181 92 A CA 1.533 53.661 52.037 0.153 0.000 0.623 92 A CB -0.974 18.213 19.000 0.312 0.000 0.818 92 A HN 0.514 nan 8.150 nan 0.000 0.443 93 C N -1.190 118.088 119.300 -0.035 0.000 2.450 93 C HA 0.006 4.467 4.460 0.001 0.000 0.279 93 C C 2.770 177.707 174.990 -0.088 0.000 1.335 93 C CA 0.961 59.889 59.018 -0.149 0.000 1.749 93 C CB -1.209 26.200 27.740 -0.552 0.000 1.963 93 C HN 0.706 nan 8.230 nan 0.000 0.501 94 R N 1.203 121.647 120.500 -0.093 0.000 2.096 94 R HA -0.087 4.254 4.340 0.001 0.000 0.235 94 R C 2.253 178.528 176.300 -0.042 0.000 1.127 94 R CA 1.881 57.958 56.100 -0.038 0.000 0.968 94 R CB -0.671 29.608 30.300 -0.035 0.000 0.861 94 R HN 0.541 nan 8.270 nan 0.000 0.440 95 G N 0.411 109.016 108.800 -0.325 0.000 2.418 95 G HA2 -0.206 3.754 3.960 0.001 0.000 0.217 95 G HA3 -0.206 3.754 3.960 0.001 0.000 0.217 95 G C 1.438 175.954 174.900 -0.639 0.000 1.158 95 G CA 0.884 45.243 45.100 -1.236 0.000 0.771 95 G HN 0.220 nan 8.290 nan 0.000 0.545 96 V N 1.133 120.892 119.914 -0.259 0.000 2.332 96 V HA -0.168 3.953 4.120 0.001 0.000 0.248 96 V C 2.930 179.055 176.094 0.051 0.000 1.055 96 V CA 1.591 63.899 62.300 0.013 0.000 1.038 96 V CB -0.492 31.478 31.823 0.245 0.000 0.651 96 V HN 0.357 nan 8.190 nan 0.000 0.450 97 L N -0.417 120.868 121.223 0.102 0.000 2.017 97 L HA -0.173 4.167 4.340 0.001 0.000 0.208 97 L C 2.651 179.531 176.870 0.016 0.000 1.073 97 L CA 2.005 56.896 54.840 0.085 0.000 0.745 97 L CB -1.230 40.899 42.059 0.118 0.000 0.894 97 L HN 0.324 nan 8.230 nan 0.000 0.432 98 T N -0.826 113.741 114.554 0.021 0.000 2.759 98 T HA -0.211 4.139 4.350 0.001 0.000 0.269 98 T C 2.070 176.766 174.700 -0.007 0.000 1.042 98 T CA 1.593 63.701 62.100 0.012 0.000 1.140 98 T CB -0.408 68.525 68.868 0.107 0.000 0.864 98 T HN 0.393 nan 8.240 nan 0.000 0.455 99 C N 0.888 120.202 119.300 0.024 0.000 2.436 99 C HA 0.044 4.504 4.460 0.001 0.000 0.277 99 C C 2.708 177.692 174.990 -0.010 0.000 1.241 99 C CA 0.335 59.382 59.018 0.047 0.000 1.721 99 C CB -1.409 26.390 27.740 0.098 0.000 2.043 99 C HN 0.519 nan 8.230 nan 0.000 0.472 100 L N 0.431 121.619 121.223 -0.057 0.000 2.012 100 L HA -0.259 4.082 4.340 0.001 0.000 0.210 100 L C 2.808 179.576 176.870 -0.170 0.000 1.073 100 L CA 1.851 56.587 54.840 -0.173 0.000 0.748 100 L CB -0.865 40.992 42.059 -0.336 0.000 0.891 100 L HN 0.501 nan 8.230 nan 0.000 0.431 101 Q N 0.030 119.765 119.800 -0.107 0.000 2.050 101 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 101 Q C 2.184 178.139 176.000 -0.075 0.000 0.980 101 Q CA 1.752 57.507 55.803 -0.079 0.000 0.840 101 Q CB -0.273 28.434 28.738 -0.052 0.000 0.898 101 Q HN 0.527 nan 8.270 nan 0.000 0.424 102 G N 1.083 109.844 108.800 -0.064 0.000 2.442 102 G HA2 -0.230 3.730 3.960 0.001 0.000 0.219 102 G HA3 -0.230 3.730 3.960 0.001 0.000 0.219 102 G C 1.283 176.149 174.900 -0.056 0.000 1.141 102 G CA 0.703 45.779 45.100 -0.040 0.000 0.763 102 G HN 0.350 nan 8.290 nan 0.000 0.554 103 L N 0.402 121.555 121.223 -0.117 0.000 2.622 103 L HA 0.214 4.555 4.340 0.001 0.000 0.233 103 L C 2.114 178.840 176.870 -0.241 0.000 1.156 103 L CA 0.518 55.228 54.840 -0.216 0.000 0.866 103 L CB -0.063 41.727 42.059 -0.450 0.000 0.980 103 L HN 0.421 nan 8.230 nan 0.000 0.448 104 G N -0.303 108.407 108.800 -0.151 0.000 2.176 104 G HA2 -0.236 3.724 3.960 0.001 0.000 0.232 104 G HA3 -0.236 3.724 3.960 0.001 0.000 0.232 104 G C 0.216 175.054 174.900 -0.104 0.000 0.986 104 G CA -0.313 44.730 45.100 -0.096 0.000 0.643 104 G HN 0.190 nan 8.290 nan 0.000 0.522 105 L N 0.424 121.543 121.223 -0.173 0.000 2.421 105 L HA 0.609 4.949 4.340 0.001 0.000 0.263 105 L C 0.050 176.900 176.870 -0.034 0.000 1.122 105 L CA -0.650 54.126 54.840 -0.107 0.000 0.804 105 L CB 0.947 42.869 42.059 -0.229 0.000 1.150 105 L HN 0.124 nan 8.230 nan 0.000 0.457 106 D N 0.949 121.409 120.400 0.100 0.000 2.453 106 D HA 0.292 4.933 4.640 0.001 0.000 0.238 106 D C -1.952 174.477 176.300 0.215 0.000 1.088 106 D CA -1.983 52.088 54.000 0.118 0.000 0.854 106 D CB 1.778 42.646 40.800 0.115 0.000 1.076 106 D HN 0.077 nan 8.370 nan 0.000 0.533 107 P HA -0.057 nan 4.420 nan 0.000 0.222 107 P C 1.010 178.460 177.300 0.249 0.000 1.147 107 P CA 0.824 64.042 63.100 0.197 0.000 0.790 107 P CB 0.294 32.057 31.700 0.105 0.000 0.780 108 A N -0.112 122.811 122.820 0.171 0.000 1.940 108 A HA -0.212 4.109 4.320 0.001 0.000 0.219 108 A C 2.235 179.909 177.584 0.150 0.000 1.176 108 A CA 2.507 54.625 52.037 0.135 0.000 0.631 108 A CB -1.905 17.150 19.000 0.092 0.000 0.814 108 A HN 0.354 nan 8.150 nan 0.000 0.446 109 T N -4.059 110.599 114.554 0.173 0.000 3.023 109 T HA -0.009 4.342 4.350 0.001 0.000 0.266 109 T C 0.983 175.772 174.700 0.147 0.000 1.093 109 T CA 0.728 62.902 62.100 0.123 0.000 1.129 109 T CB -0.360 68.548 68.868 0.067 0.000 0.899 109 T HN 0.587 nan 8.240 nan 0.000 0.491 110 R N 0.826 121.509 120.500 0.306 0.000 3.863 110 R HA -0.128 4.212 4.340 0.001 0.000 0.313 110 R C -0.723 175.648 176.300 0.119 0.000 1.202 110 R CA 0.847 57.217 56.100 0.448 0.000 0.852 110 R CB -2.202 28.329 30.300 0.385 0.000 1.292 110 R HN 0.448 nan 8.270 nan 0.000 0.519 111 D N 1.202 121.423 120.400 -0.299 0.000 2.470 111 D HA 0.043 4.683 4.640 0.001 0.000 0.226 111 D C 1.101 176.682 176.300 -1.197 0.000 1.196 111 D CA -0.124 53.533 54.000 -0.572 0.000 0.979 111 D CB 0.654 41.190 40.800 -0.439 0.000 1.059 111 D HN 0.078 nan 8.370 nan 0.000 0.515 112 L N 3.706 124.429 121.223 -0.833 0.000 2.079 112 L HA -0.191 4.149 4.340 0.001 0.000 0.210 112 L C 1.936 178.524 176.870 -0.470 0.000 1.081 112 L CA 1.746 56.123 54.840 -0.772 0.000 0.752 112 L CB -0.228 41.280 42.059 -0.919 0.000 0.896 112 L HN 0.320 nan 8.230 nan 0.000 0.433 113 Q N -0.923 118.655 119.800 -0.370 0.000 2.124 113 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 113 Q C 2.437 178.333 176.000 -0.173 0.000 0.977 113 Q CA 1.727 57.404 55.803 -0.210 0.000 0.850 113 Q CB -0.955 27.689 28.738 -0.158 0.000 0.901 113 Q HN 0.504 nan 8.270 nan 0.000 0.429 114 V N 0.382 120.131 119.914 -0.275 0.000 2.427 114 V HA -0.239 3.881 4.120 0.001 0.000 0.248 114 V C 1.800 177.877 176.094 -0.029 0.000 1.051 114 V CA 1.369 63.569 62.300 -0.166 0.000 1.048 114 V CB -0.433 31.267 31.823 -0.206 0.000 0.666 114 V HN 0.213 nan 8.190 nan 0.000 0.456 115 Y N 0.969 121.254 120.300 -0.026 0.000 2.145 115 Y HA -0.162 4.389 4.550 0.001 0.000 0.286 115 Y C 2.693 178.719 175.900 0.210 0.000 1.145 115 Y CA 1.651 59.774 58.100 0.038 0.000 1.148 115 Y CB -1.083 37.365 38.460 -0.019 0.000 0.981 115 Y HN 0.214 nan 8.280 nan 0.000 0.507 116 R N 0.294 120.965 120.500 0.285 0.000 2.105 116 R HA -0.180 4.161 4.340 0.001 0.000 0.239 116 R C 2.073 178.532 176.300 0.264 0.000 1.135 116 R CA 1.662 57.934 56.100 0.286 0.000 0.967 116 R CB -0.354 29.988 30.300 0.070 0.000 0.861 116 R HN 0.484 nan 8.270 nan 0.000 0.442 117 E N -0.498 119.790 120.200 0.146 0.000 2.209 117 E HA -0.260 4.091 4.350 0.001 0.000 0.196 117 E C 1.564 178.226 176.600 0.104 0.000 0.993 117 E CA 1.265 57.722 56.400 0.095 0.000 0.819 117 E CB -0.165 29.563 29.700 0.046 0.000 0.745 117 E HN 0.422 nan 8.360 nan 0.000 0.477 118 Y N 0.413 120.699 120.300 -0.023 0.000 2.114 118 Y HA -0.269 4.282 4.550 0.001 0.000 0.284 118 Y C 1.780 177.587 175.900 -0.155 0.000 1.143 118 Y CA 1.716 59.711 58.100 -0.175 0.000 1.135 118 Y CB -0.316 37.899 38.460 -0.407 0.000 0.980 118 Y HN -0.073 nan 8.280 nan 0.000 0.499 119 F N 0.301 120.417 119.950 0.277 0.000 2.186 119 F HA -0.093 4.435 4.527 0.001 0.000 0.299 119 F C 2.636 178.511 175.800 0.124 0.000 1.090 119 F CA 1.083 59.239 58.000 0.260 0.000 1.307 119 F CB -1.223 37.912 39.000 0.226 0.000 1.019 119 F HN 0.147 nan 8.300 nan 0.000 0.489 120 A N 0.785 123.733 122.820 0.213 0.000 2.024 120 A HA -0.225 4.096 4.320 0.001 0.000 0.220 120 A C 1.970 179.599 177.584 0.075 0.000 1.164 120 A CA 1.799 53.899 52.037 0.105 0.000 0.643 120 A CB -0.903 18.135 19.000 0.063 0.000 0.806 120 A HN 0.559 nan 8.150 nan 0.000 0.451 121 K N -0.435 119.975 120.400 0.017 0.000 2.410 121 K HA 0.230 4.551 4.320 0.001 0.000 0.200 121 K C -0.200 176.378 176.600 -0.038 0.000 1.023 121 K CA -0.108 56.163 56.287 -0.026 0.000 1.149 121 K CB 0.143 32.597 32.500 -0.076 0.000 0.859 121 K HN 0.324 nan 8.250 nan 0.000 0.514 122 K N 0.808 121.233 120.400 0.042 0.000 2.400 122 K HA 0.248 4.568 4.320 0.001 0.000 0.246 122 K C -0.494 176.201 176.600 0.158 0.000 0.995 122 K CA -0.959 55.344 56.287 0.027 0.000 0.840 122 K CB 1.865 34.320 32.500 -0.075 0.000 1.293 122 K HN 0.126 nan 8.250 nan 0.000 0.445 123 T N -2.332 112.237 114.554 0.026 0.000 2.897 123 T HA 0.180 4.531 4.350 0.001 0.000 0.278 123 T C 0.989 175.572 174.700 -0.195 0.000 0.981 123 T CA -0.701 61.424 62.100 0.042 0.000 0.973 123 T CB 1.417 70.284 68.868 -0.002 0.000 1.092 123 T HN 0.353 nan 8.240 nan 0.000 0.543 124 S N 0.401 116.010 115.700 -0.151 0.000 2.368 124 S HA -0.089 4.382 4.470 0.001 0.000 0.225 124 S C 1.943 176.306 174.600 -0.394 0.000 1.030 124 S CA 1.288 59.187 58.200 -0.501 0.000 0.999 124 S CB -0.515 62.617 63.200 -0.113 0.000 0.844 124 S HN 0.810 nan 8.310 nan 0.000 0.459 125 E N 1.500 121.586 120.200 -0.190 0.000 2.077 125 E HA -0.130 4.221 4.350 0.001 0.000 0.193 125 E C 2.053 178.573 176.600 -0.134 0.000 0.989 125 E CA 1.185 57.509 56.400 -0.126 0.000 0.800 125 E CB -0.229 29.430 29.700 -0.068 0.000 0.746 125 E HN 0.594 nan 8.360 nan 0.000 0.452 126 E N 0.005 120.113 120.200 -0.153 0.000 2.072 126 E HA -0.219 4.132 4.350 0.001 0.000 0.191 126 E C 2.070 178.574 176.600 -0.160 0.000 0.985 126 E CA 1.045 57.367 56.400 -0.129 0.000 0.801 126 E CB -0.047 29.584 29.700 -0.114 0.000 0.750 126 E HN 0.084 nan 8.360 nan 0.000 0.452 127 Q N 1.032 120.652 119.800 -0.300 0.000 2.167 127 Q HA -0.118 4.223 4.340 0.001 0.000 0.202 127 Q C 2.087 177.983 176.000 -0.172 0.000 0.970 127 Q CA 1.040 56.672 55.803 -0.285 0.000 0.855 127 Q CB -0.166 28.169 28.738 -0.671 0.000 0.911 127 Q HN 0.239 nan 8.270 nan 0.000 0.438 128 V N 0.068 119.868 119.914 -0.190 0.000 2.427 128 V HA -0.200 3.921 4.120 0.001 0.000 0.248 128 V C 1.191 177.282 176.094 -0.006 0.000 1.051 128 V CA 2.365 64.636 62.300 -0.048 0.000 1.048 128 V CB -0.420 31.415 31.823 0.020 0.000 0.666 128 V HN 0.329 nan 8.190 nan 0.000 0.456 129 D N 0.132 120.516 120.400 -0.028 0.000 2.097 129 D HA -0.128 4.513 4.640 0.001 0.000 0.195 129 D C 2.297 178.593 176.300 -0.007 0.000 0.989 129 D CA 2.092 56.084 54.000 -0.013 0.000 0.827 129 D CB -0.631 40.155 40.800 -0.023 0.000 0.966 129 D HN 0.497 nan 8.370 nan 0.000 0.456 130 T N 0.431 114.981 114.554 -0.006 0.000 2.708 130 T HA -0.089 4.261 4.350 0.001 0.000 0.266 130 T C 2.217 176.939 174.700 0.036 0.000 1.037 130 T CA 0.848 62.962 62.100 0.024 0.000 1.146 130 T CB -0.323 68.579 68.868 0.057 0.000 0.865 130 T HN -0.035 nan 8.240 nan 0.000 0.435 131 V N 1.448 121.387 119.914 0.042 0.000 2.427 131 V HA -0.045 4.075 4.120 0.001 0.000 0.248 131 V C 2.458 178.569 176.094 0.028 0.000 1.051 131 V CA 1.262 63.594 62.300 0.054 0.000 1.048 131 V CB -0.618 31.250 31.823 0.075 0.000 0.666 131 V HN 0.444 nan 8.190 nan 0.000 0.456 132 L N -0.343 120.884 121.223 0.007 0.000 2.141 132 L HA -0.205 4.136 4.340 0.001 0.000 0.209 132 L C 2.569 179.419 176.870 -0.034 0.000 1.094 132 L CA 1.631 56.453 54.840 -0.029 0.000 0.763 132 L CB -0.501 41.529 42.059 -0.048 0.000 0.908 132 L HN 0.440 nan 8.230 nan 0.000 0.437 133 Q N 0.516 120.306 119.800 -0.015 0.000 2.020 133 Q HA -0.162 4.179 4.340 0.001 0.000 0.198 133 Q C 2.443 178.438 176.000 -0.009 0.000 0.974 133 Q CA 1.178 56.971 55.803 -0.016 0.000 0.829 133 Q CB 0.045 28.779 28.738 -0.006 0.000 0.894 133 Q HN 0.469 nan 8.270 nan 0.000 0.433 134 L N 0.308 121.538 121.223 0.011 0.000 2.012 134 L HA -0.184 4.156 4.340 0.001 0.000 0.210 134 L C 2.353 179.240 176.870 0.029 0.000 1.073 134 L CA 1.287 56.142 54.840 0.025 0.000 0.748 134 L CB -0.476 41.606 42.059 0.039 0.000 0.891 134 L HN 0.282 nan 8.230 nan 0.000 0.431 135 A N -0.981 121.855 122.820 0.026 0.000 2.238 135 A HA -0.092 4.229 4.320 0.001 0.000 0.208 135 A C 1.003 178.547 177.584 -0.066 0.000 1.177 135 A CA 0.460 52.516 52.037 0.032 0.000 0.804 135 A CB -0.460 18.587 19.000 0.078 0.000 0.823 135 A HN 0.600 nan 8.150 nan 0.000 0.482 136 N N -0.886 117.767 118.700 -0.078 0.000 2.725 136 N HA -0.145 4.596 4.740 0.001 0.000 0.251 136 N C -0.857 174.527 175.510 -0.210 0.000 1.031 136 N CA 0.956 53.930 53.050 -0.126 0.000 0.720 136 N CB -1.695 36.714 38.487 -0.131 0.000 0.930 136 N HN 0.167 nan 8.380 nan 0.000 0.543 137 V N 1.111 120.907 119.914 -0.198 0.000 2.370 137 V HA 0.336 4.456 4.120 0.001 0.000 0.283 137 V C 1.423 177.411 176.094 -0.176 0.000 1.023 137 V CA 0.190 62.335 62.300 -0.259 0.000 0.857 137 V CB 1.551 33.231 31.823 -0.239 0.000 0.985 137 V HN 0.512 nan 8.190 nan 0.000 0.443 138 S N 2.206 117.818 115.700 -0.146 0.000 2.483 138 S HA 0.197 4.668 4.470 0.001 0.000 0.221 138 S C 0.137 174.706 174.600 -0.052 0.000 1.030 138 S CA -0.080 58.070 58.200 -0.084 0.000 0.925 138 S CB 0.151 63.326 63.200 -0.041 0.000 0.795 138 S HN 0.742 nan 8.310 nan 0.000 0.511 139 D N 0.268 120.655 120.400 -0.021 0.000 2.936 139 D HA 0.598 5.238 4.640 0.001 0.000 0.238 139 D C -1.696 174.599 176.300 -0.009 0.000 1.248 139 D CA -0.430 53.629 54.000 0.099 0.000 0.903 139 D CB 2.390 43.461 40.800 0.452 0.000 1.544 139 D HN 0.038 nan 8.370 nan 0.000 0.543 140 V N 2.271 122.112 119.914 -0.122 0.000 2.459 140 V HA 0.447 4.567 4.120 0.001 0.000 0.295 140 V C -0.302 175.812 176.094 0.033 0.000 1.029 140 V CA -0.758 61.454 62.300 -0.146 0.000 0.874 140 V CB 1.902 33.490 31.823 -0.391 0.000 0.985 140 V HN 0.367 nan 8.190 nan 0.000 0.438 141 V N 6.584 126.490 119.914 -0.013 0.000 2.370 141 V HA 0.425 4.545 4.120 0.001 0.000 0.279 141 V C 0.330 176.370 176.094 -0.090 0.000 1.029 141 V CA -0.288 62.006 62.300 -0.009 0.000 0.870 141 V CB 1.309 33.062 31.823 -0.116 0.000 0.984 141 V HN 0.827 nan 8.190 nan 0.000 0.451 142 M N 2.770 122.326 119.600 -0.074 0.000 2.245 142 M HA 0.400 4.881 4.480 0.001 0.000 0.292 142 M C 0.146 176.313 176.300 -0.222 0.000 1.176 142 M CA -0.108 55.059 55.300 -0.222 0.000 1.035 142 M CB 0.797 33.278 32.600 -0.198 0.000 1.440 142 M HN 0.449 nan 8.290 nan 0.000 0.494 143 T N 1.551 115.933 114.554 -0.286 0.000 2.842 143 T HA 0.382 4.732 4.350 0.001 0.000 0.308 143 T C -0.998 173.729 174.700 0.046 0.000 1.041 143 T CA -0.729 61.299 62.100 -0.121 0.000 0.964 143 T CB -0.189 68.579 68.868 -0.167 0.000 0.972 143 T HN 0.512 nan 8.240 nan 0.000 0.460 144 N N 2.595 121.337 118.700 0.070 0.000 2.476 144 N HA 0.351 5.092 4.740 0.001 0.000 0.257 144 N C -1.199 174.330 175.510 0.032 0.000 0.970 144 N CA -0.757 52.396 53.050 0.173 0.000 0.938 144 N CB 1.184 39.774 38.487 0.172 0.000 1.144 144 N HN 0.432 nan 8.380 nan 0.000 0.500 145 D N 2.861 123.334 120.400 0.121 0.000 2.443 145 D HA 0.188 4.829 4.640 0.001 0.000 0.221 145 D C -1.563 174.678 176.300 -0.099 0.000 1.097 145 D CA -2.493 51.545 54.000 0.064 0.000 0.865 145 D CB 1.164 42.092 40.800 0.214 0.000 1.034 145 D HN 0.292 nan 8.370 nan 0.000 0.511 146 P HA -0.119 nan 4.420 nan 0.000 0.225 146 P C 0.902 177.885 177.300 -0.529 0.000 1.148 146 P CA 0.601 63.129 63.100 -0.954 0.000 0.779 146 P CB 0.007 30.447 31.700 -2.101 0.000 0.780 147 F N 0.288 120.255 119.950 0.027 0.000 2.780 147 F HA 0.105 4.633 4.527 0.001 0.000 0.299 147 F C 0.998 176.924 175.800 0.210 0.000 1.146 147 F CA 0.072 58.218 58.000 0.244 0.000 1.428 147 F CB -0.732 38.403 39.000 0.225 0.000 1.115 147 F HN -0.079 nan 8.300 nan 0.000 0.583 148 D N 0.006 120.557 120.400 0.252 0.000 2.280 148 D HA 0.046 4.687 4.640 0.001 0.000 0.243 148 D C 0.919 177.323 176.300 0.174 0.000 1.129 148 D CA -0.080 54.046 54.000 0.211 0.000 0.848 148 D CB 0.646 41.554 40.800 0.181 0.000 1.107 148 D HN -0.094 nan 8.370 nan 0.000 0.471 149 D N 3.094 123.605 120.400 0.186 0.000 2.126 149 D HA -0.215 4.426 4.640 0.001 0.000 0.190 149 D C 1.353 177.721 176.300 0.113 0.000 1.001 149 D CA 1.055 55.152 54.000 0.162 0.000 0.841 149 D CB 0.011 40.905 40.800 0.156 0.000 0.949 149 D HN 0.513 nan 8.370 nan 0.000 0.446 150 N N 1.035 119.788 118.700 0.088 0.000 2.061 150 N HA -0.162 4.579 4.740 0.001 0.000 0.193 150 N C 1.748 177.290 175.510 0.052 0.000 1.030 150 N CA 1.007 54.086 53.050 0.048 0.000 0.856 150 N CB -0.289 38.210 38.487 0.020 0.000 1.023 150 N HN 0.485 nan 8.380 nan 0.000 0.424 151 E N 0.706 120.961 120.200 0.091 0.000 2.047 151 E HA -0.098 4.252 4.350 0.001 0.000 0.191 151 E C 2.171 178.947 176.600 0.293 0.000 0.987 151 E CA 0.386 56.892 56.400 0.177 0.000 0.799 151 E CB -0.037 29.804 29.700 0.236 0.000 0.752 151 E HN 0.264 nan 8.360 nan 0.000 0.449 152 R N 1.031 121.659 120.500 0.212 0.000 2.097 152 R HA -0.169 4.172 4.340 0.001 0.000 0.236 152 R C 2.395 178.853 176.300 0.262 0.000 1.135 152 R CA 1.493 57.741 56.100 0.247 0.000 0.934 152 R CB -0.410 29.931 30.300 0.067 0.000 0.846 152 R HN 0.171 nan 8.270 nan 0.000 0.431 153 I N 0.317 120.966 120.570 0.132 0.000 2.335 153 I HA -0.291 3.880 4.170 0.001 0.000 0.251 153 I C 2.600 178.734 176.117 0.029 0.000 1.129 153 I CA 1.220 62.563 61.300 0.071 0.000 1.402 153 I CB -0.334 37.689 38.000 0.039 0.000 1.069 153 I HN 0.260 nan 8.210 nan 0.000 0.424 154 S N 0.108 115.809 115.700 0.001 0.000 2.356 154 S HA -0.195 4.275 4.470 0.001 0.000 0.223 154 S C 1.740 176.212 174.600 -0.212 0.000 1.032 154 S CA 1.316 59.400 58.200 -0.193 0.000 1.005 154 S CB -0.334 62.684 63.200 -0.304 0.000 0.867 154 S HN 0.506 nan 8.310 nan 0.000 0.449 155 W N 1.399 122.726 121.300 0.045 0.000 2.467 155 W HA 0.204 4.865 4.660 0.001 0.000 0.275 155 W C 1.996 178.517 176.519 0.004 0.000 1.239 155 W CA 0.121 57.527 57.345 0.101 0.000 1.266 155 W CB -0.230 29.444 29.460 0.356 0.000 1.112 155 W HN 0.286 nan 8.180 nan 0.000 0.576 156 L N -0.225 121.116 121.223 0.196 0.000 2.156 156 L HA -0.102 4.239 4.340 0.001 0.000 0.208 156 L C 1.363 178.227 176.870 -0.010 0.000 1.095 156 L CA 1.182 56.047 54.840 0.042 0.000 0.770 156 L CB -0.615 41.457 42.059 0.021 0.000 0.914 156 L HN -0.049 nan 8.230 nan 0.000 0.439 157 E N 0.168 120.347 120.200 -0.034 0.000 2.320 157 E HA 0.094 4.444 4.350 0.001 0.000 0.189 157 E C 1.221 177.762 176.600 -0.097 0.000 1.100 157 E CA 0.382 56.740 56.400 -0.070 0.000 1.009 157 E CB 0.049 29.695 29.700 -0.090 0.000 1.145 157 E HN 0.494 nan 8.360 nan 0.000 0.454 158 G N 1.764 110.522 108.800 -0.071 0.000 2.189 158 G HA2 -0.307 3.653 3.960 0.001 0.000 0.267 158 G HA3 -0.307 3.653 3.960 0.001 0.000 0.267 158 G C 0.401 175.206 174.900 -0.157 0.000 0.975 158 G CA -0.025 45.030 45.100 -0.076 0.000 0.644 158 G HN 0.132 nan 8.290 nan 0.000 0.537 159 K N 1.165 121.379 120.400 -0.310 0.000 2.491 159 K HA 0.135 4.455 4.320 0.001 0.000 0.279 159 K C 0.438 176.716 176.600 -0.537 0.000 1.026 159 K CA 0.783 56.736 56.287 -0.556 0.000 1.070 159 K CB 0.427 32.330 32.500 -0.995 0.000 0.887 159 K HN 0.479 nan 8.250 nan 0.000 0.481 160 Q N 3.527 123.138 119.800 -0.315 0.000 2.340 160 Q HA 0.400 4.740 4.340 0.001 0.000 0.268 160 Q C -2.251 173.799 176.000 0.083 0.000 1.031 160 Q CA -2.099 53.660 55.803 -0.073 0.000 0.804 160 Q CB 1.946 30.692 28.738 0.013 0.000 1.286 160 Q HN 0.389 nan 8.270 nan 0.000 0.448 161 P HA 0.015 nan 4.420 nan 0.000 0.274 161 P C -0.630 176.751 177.300 0.135 0.000 1.237 161 P CA -0.236 63.006 63.100 0.236 0.000 0.793 161 P CB 0.800 32.584 31.700 0.141 0.000 0.977 162 D N -0.507 119.970 120.400 0.128 0.000 2.384 162 D HA 0.001 4.641 4.640 0.001 0.000 0.244 162 D C 1.353 177.713 176.300 0.099 0.000 1.251 162 D CA -0.443 53.625 54.000 0.114 0.000 0.961 162 D CB -0.171 40.702 40.800 0.121 0.000 1.116 162 D HN 0.267 nan 8.370 nan 0.000 0.484 163 S N -0.408 115.317 115.700 0.040 0.000 2.465 163 S HA -0.245 4.226 4.470 0.001 0.000 0.241 163 S C 1.560 176.101 174.600 -0.098 0.000 1.000 163 S CA 0.645 58.828 58.200 -0.028 0.000 0.964 163 S CB -0.484 62.709 63.200 -0.011 0.000 0.763 163 S HN 0.515 nan 8.310 nan 0.000 0.512 164 R N -0.449 120.028 120.500 -0.038 0.000 2.240 164 R HA 0.296 4.637 4.340 0.001 0.000 0.203 164 R C -0.490 175.555 176.300 -0.425 0.000 1.011 164 R CA 0.358 56.345 56.100 -0.188 0.000 1.007 164 R CB -0.010 30.159 30.300 -0.218 0.000 0.911 164 R HN 0.428 nan 8.270 nan 0.000 0.468 165 F N -0.213 119.606 119.950 -0.219 0.000 2.480 165 F HA 0.342 4.869 4.527 0.001 0.000 0.329 165 F C 0.112 175.701 175.800 -0.353 0.000 1.091 165 F CA -1.045 56.842 58.000 -0.188 0.000 0.972 165 F CB 1.481 40.412 39.000 -0.116 0.000 1.150 165 F HN -0.106 nan 8.300 nan 0.000 0.467 166 H N 0.479 119.693 119.070 0.240 0.000 2.622 166 H HA 0.726 5.283 4.556 0.001 0.000 0.363 166 H C -0.637 174.778 175.328 0.144 0.000 1.151 166 H CA -1.025 55.155 56.048 0.219 0.000 1.184 166 H CB 1.623 31.549 29.762 0.273 0.000 1.643 166 H HN 0.749 nan 8.280 nan 0.000 0.531 167 A N 1.378 124.352 122.820 0.256 0.000 2.293 167 A HA 0.786 5.107 4.320 0.001 0.000 0.302 167 A C -0.531 176.997 177.584 -0.093 0.000 1.119 167 A CA -0.134 51.975 52.037 0.121 0.000 0.823 167 A CB 0.322 19.404 19.000 0.137 0.000 1.097 167 A HN 0.799 nan 8.150 nan 0.000 0.491 168 A N 1.364 124.063 122.820 -0.201 0.000 2.375 168 A HA 0.556 4.877 4.320 0.001 0.000 0.295 168 A C -0.958 176.483 177.584 -0.238 0.000 1.066 168 A CA -0.484 51.298 52.037 -0.424 0.000 0.722 168 A CB 0.825 19.407 19.000 -0.698 0.000 1.206 168 A HN 1.407 nan 8.150 nan 0.000 0.435 169 L N 2.598 123.699 121.223 -0.205 0.000 2.433 169 L HA 0.488 4.829 4.340 0.001 0.000 0.284 169 L C 0.427 177.278 176.870 -0.031 0.000 1.120 169 L CA 0.003 54.751 54.840 -0.155 0.000 0.879 169 L CB -0.065 41.898 42.059 -0.161 0.000 1.232 169 L HN 0.655 nan 8.230 nan 0.000 0.454 170 R N 4.414 124.914 120.500 0.001 0.000 2.298 170 R HA 0.376 4.717 4.340 0.001 0.000 0.310 170 R C -0.268 176.143 176.300 0.184 0.000 1.068 170 R CA 0.133 56.298 56.100 0.108 0.000 0.957 170 R CB 0.309 30.689 30.300 0.133 0.000 1.003 170 R HN 0.783 nan 8.270 nan 0.000 0.454 171 L N 3.543 124.902 121.223 0.226 0.000 3.066 171 L HA 0.267 4.607 4.340 0.001 0.000 0.265 171 L C 0.319 177.312 176.870 0.205 0.000 1.232 171 L CA -0.294 54.733 54.840 0.311 0.000 1.031 171 L CB 0.559 42.791 42.059 0.288 0.000 1.379 171 L HN 0.592 nan 8.230 nan 0.000 0.563 172 D N 1.599 122.096 120.400 0.162 0.000 2.133 172 D HA -0.176 4.465 4.640 0.001 0.000 0.192 172 D C -0.588 175.702 176.300 -0.017 0.000 1.001 172 D CA 1.700 55.755 54.000 0.093 0.000 0.844 172 D CB -1.027 39.845 40.800 0.119 0.000 0.944 172 D HN 0.231 nan 8.370 nan 0.000 0.447 173 P HA -0.096 nan 4.420 nan 0.000 0.216 173 P C 1.647 178.688 177.300 -0.430 0.000 1.153 173 P CA 0.644 63.503 63.100 -0.401 0.000 0.848 173 P CB 0.048 31.275 31.700 -0.788 0.000 0.787 174 L N -1.362 119.589 121.223 -0.453 0.000 2.027 174 L HA -0.120 4.221 4.340 0.001 0.000 0.206 174 L C 1.917 178.801 176.870 0.023 0.000 1.074 174 L CA 2.065 56.830 54.840 -0.124 0.000 0.745 174 L CB -1.282 40.873 42.059 0.160 0.000 0.898 174 L HN -0.155 nan 8.230 nan 0.000 0.433 175 L N -0.260 120.983 121.223 0.033 0.000 2.209 175 L HA 0.018 4.358 4.340 0.001 0.000 0.207 175 L C 1.969 178.868 176.870 0.048 0.000 1.094 175 L CA 1.062 55.927 54.840 0.041 0.000 0.790 175 L CB -0.836 41.278 42.059 0.091 0.000 0.932 175 L HN 0.337 nan 8.230 nan 0.000 0.447 176 N N -0.578 118.147 118.700 0.042 0.000 2.356 176 N HA 0.040 4.781 4.740 0.001 0.000 0.178 176 N C 0.232 175.761 175.510 0.031 0.000 1.075 176 N CA 0.337 53.417 53.050 0.050 0.000 0.889 176 N CB 0.446 38.969 38.487 0.061 0.000 0.999 176 N HN 0.401 nan 8.380 nan 0.000 0.464 177 E N -0.417 119.783 120.200 0.001 0.000 3.729 177 E HA 0.061 4.412 4.350 0.001 0.000 0.195 177 E C -0.127 176.458 176.600 -0.025 0.000 1.005 177 E CA -0.249 56.140 56.400 -0.018 0.000 1.356 177 E CB 0.249 29.916 29.700 -0.056 0.000 1.138 177 E HN 0.103 nan 8.360 nan 0.000 0.450 178 Y N 2.314 122.546 120.300 -0.112 0.000 2.114 178 Y HA -0.302 4.249 4.550 0.001 0.000 0.282 178 Y C 2.072 177.896 175.900 -0.126 0.000 1.165 178 Y CA 1.942 59.969 58.100 -0.122 0.000 1.148 178 Y CB 0.283 38.686 38.460 -0.096 0.000 0.972 178 Y HN 0.094 nan 8.280 nan 0.000 0.504 179 E N 0.119 120.234 120.200 -0.142 0.000 2.086 179 E HA -0.277 4.074 4.350 0.001 0.000 0.200 179 E C 2.004 178.452 176.600 -0.254 0.000 1.012 179 E CA 2.053 58.319 56.400 -0.223 0.000 0.812 179 E CB -0.324 29.342 29.700 -0.057 0.000 0.743 179 E HN 0.632 nan 8.360 nan 0.000 0.453 180 Q N -0.883 118.835 119.800 -0.138 0.000 2.269 180 Q HA 0.049 4.390 4.340 0.001 0.000 0.201 180 Q C 2.074 178.000 176.000 -0.124 0.000 0.946 180 Q CA 1.147 56.919 55.803 -0.052 0.000 0.877 180 Q CB -0.083 28.640 28.738 -0.024 0.000 0.963 180 Q HN 0.132 nan 8.270 nan 0.000 0.472 181 T N 1.272 115.687 114.554 -0.232 0.000 2.942 181 T HA -0.087 4.263 4.350 0.001 0.000 0.265 181 T C 1.489 175.986 174.700 -0.338 0.000 1.062 181 T CA 1.149 63.090 62.100 -0.266 0.000 1.139 181 T CB -0.087 68.585 68.868 -0.326 0.000 0.883 181 T HN 0.433 nan 8.240 nan 0.000 0.468 182 K N 0.983 121.033 120.400 -0.584 0.000 2.218 182 K HA -0.205 4.116 4.320 0.001 0.000 0.205 182 K C 1.682 178.019 176.600 -0.439 0.000 1.046 182 K CA 1.542 57.436 56.287 -0.654 0.000 0.933 182 K CB -0.459 31.379 32.500 -1.103 0.000 0.728 182 K HN 0.395 nan 8.250 nan 0.000 0.454 183 H N 0.941 119.859 119.070 -0.252 0.000 2.495 183 H HA 0.083 4.639 4.556 0.001 0.000 0.287 183 H C 1.760 176.935 175.328 -0.255 0.000 1.033 183 H CA 0.952 56.883 56.048 -0.196 0.000 1.307 183 H CB 0.140 29.808 29.762 -0.157 0.000 1.401 183 H HN 0.345 nan 8.280 nan 0.000 0.555 184 R N -0.025 120.316 120.500 -0.265 0.000 2.173 184 R HA 0.092 4.433 4.340 0.001 0.000 0.208 184 R C 2.370 178.173 176.300 -0.828 0.000 1.035 184 R CA 0.149 55.872 56.100 -0.628 0.000 1.004 184 R CB 0.149 30.056 30.300 -0.655 0.000 0.917 184 R HN 0.173 nan 8.270 nan 0.000 0.462 185 L N 1.150 122.160 121.223 -0.354 0.000 2.046 185 L HA -0.161 4.179 4.340 0.001 0.000 0.208 185 L C 2.634 179.612 176.870 0.181 0.000 1.077 185 L CA 1.509 56.364 54.840 0.025 0.000 0.747 185 L CB -0.454 41.626 42.059 0.033 0.000 0.896 185 L HN 0.232 nan 8.230 nan 0.000 0.432 186 R N -0.344 120.171 120.500 0.025 0.000 2.115 186 R HA -0.117 4.224 4.340 0.001 0.000 0.226 186 R C 1.377 177.690 176.300 0.021 0.000 1.100 186 R CA 1.538 57.671 56.100 0.055 0.000 0.980 186 R CB -0.678 29.641 30.300 0.032 0.000 0.875 186 R HN 0.196 nan 8.270 nan 0.000 0.445 187 D N 0.030 120.374 120.400 -0.094 0.000 2.263 187 D HA -0.128 4.513 4.640 0.001 0.000 0.208 187 D C 0.534 176.883 176.300 0.083 0.000 0.971 187 D CA 0.873 54.819 54.000 -0.091 0.000 0.867 187 D CB 0.012 40.660 40.800 -0.254 0.000 0.929 187 D HN 0.383 nan 8.370 nan 0.000 0.492 188 W N -0.280 121.115 121.300 0.157 0.000 3.223 188 W HA 0.466 5.127 4.660 0.001 0.000 0.389 188 W C 1.315 177.760 176.519 -0.123 0.000 1.118 188 W CA 0.234 57.658 57.345 0.132 0.000 1.902 188 W CB -0.309 29.377 29.460 0.377 0.000 1.094 188 W HN 0.039 nan 8.180 nan 0.000 0.666 189 G N 0.096 108.926 108.800 0.049 0.000 2.175 189 G HA2 -0.318 3.642 3.960 0.001 0.000 0.244 189 G HA3 -0.318 3.642 3.960 0.001 0.000 0.244 189 G C -0.378 174.383 174.900 -0.232 0.000 0.982 189 G CA -0.309 44.709 45.100 -0.138 0.000 0.641 189 G HN 0.209 nan 8.290 nan 0.000 0.527 190 Y N 1.431 121.849 120.300 0.197 0.000 2.594 190 Y HA 0.487 5.037 4.550 0.001 0.000 0.342 190 Y C 0.743 176.706 175.900 0.105 0.000 1.010 190 Y CA -1.041 57.164 58.100 0.175 0.000 1.270 190 Y CB 1.003 39.612 38.460 0.249 0.000 1.125 190 Y HN -0.139 nan 8.280 nan 0.000 0.513 191 K N 3.828 124.328 120.400 0.166 0.000 2.121 191 K HA 0.142 4.463 4.320 0.001 0.000 0.235 191 K C -0.276 176.384 176.600 0.101 0.000 1.200 191 K CA -0.195 56.154 56.287 0.104 0.000 1.115 191 K CB -0.594 31.944 32.500 0.062 0.000 1.474 191 K HN 0.489 nan 8.250 nan 0.000 0.295 192 V N 0.139 120.121 119.914 0.113 0.000 2.583 192 V HA 0.268 4.388 4.120 0.001 0.000 0.287 192 V C 0.473 176.609 176.094 0.069 0.000 1.051 192 V CA -1.046 61.321 62.300 0.111 0.000 1.010 192 V CB 0.761 32.697 31.823 0.190 0.000 0.988 192 V HN 0.329 nan 8.190 nan 0.000 0.478 193 N N 2.968 121.704 118.700 0.059 0.000 2.463 193 N HA 0.190 4.930 4.740 0.001 0.000 0.270 193 N C 0.516 176.073 175.510 0.079 0.000 1.205 193 N CA -0.285 52.795 53.050 0.051 0.000 0.974 193 N CB 1.126 39.628 38.487 0.025 0.000 1.197 193 N HN 0.765 nan 8.380 nan 0.000 0.504 194 D N -0.079 120.359 120.400 0.063 0.000 2.158 194 D HA -0.156 4.484 4.640 0.001 0.000 0.197 194 D C 0.405 176.774 176.300 0.115 0.000 0.995 194 D CA 1.517 55.559 54.000 0.070 0.000 0.846 194 D CB 0.137 40.972 40.800 0.058 0.000 0.941 194 D HN 0.667 nan 8.370 nan 0.000 0.456 195 E N -0.715 119.556 120.200 0.117 0.000 2.227 195 E HA 0.097 4.447 4.350 0.001 0.000 0.268 195 E C -0.587 176.142 176.600 0.215 0.000 0.990 195 E CA -0.960 55.535 56.400 0.158 0.000 0.856 195 E CB 0.965 30.730 29.700 0.107 0.000 1.159 195 E HN 0.124 nan 8.360 nan 0.000 0.401 196 W N 4.389 125.722 121.300 0.056 0.000 2.430 196 W HA 0.083 4.743 4.660 0.001 0.000 0.380 196 W C -1.163 175.377 176.519 0.035 0.000 1.045 196 W CA -0.256 57.117 57.345 0.046 0.000 1.547 196 W CB 0.036 29.510 29.460 0.023 0.000 1.554 196 W HN 0.713 nan 8.180 nan 0.000 0.378 197 N N 1.022 119.545 118.700 -0.296 0.000 3.091 197 N HA 0.163 4.904 4.740 0.001 0.000 0.329 197 N C 0.651 175.944 175.510 -0.362 0.000 1.430 197 N CA -0.543 52.359 53.050 -0.247 0.000 0.755 197 N CB 0.323 38.751 38.487 -0.099 0.000 1.626 197 N HN 0.064 nan 8.380 nan 0.000 0.614 198 E N -0.491 119.587 120.200 -0.204 0.000 2.086 198 E HA -0.121 4.230 4.350 0.001 0.000 0.200 198 E C 1.741 178.234 176.600 -0.177 0.000 1.012 198 E CA 2.384 58.683 56.400 -0.169 0.000 0.812 198 E CB -0.972 28.677 29.700 -0.084 0.000 0.743 198 E HN 0.751 nan 8.360 nan 0.000 0.453 199 G N -0.988 107.727 108.800 -0.141 0.000 2.402 199 G HA2 -0.228 3.733 3.960 0.001 0.000 0.216 199 G HA3 -0.228 3.733 3.960 0.001 0.000 0.216 199 G C 1.782 176.601 174.900 -0.135 0.000 1.162 199 G CA 0.929 45.971 45.100 -0.098 0.000 0.777 199 G HN 0.304 nan 8.290 nan 0.000 0.539 200 S N 0.405 115.961 115.700 -0.240 0.000 2.402 200 S HA 0.013 4.484 4.470 0.001 0.000 0.229 200 S C 2.220 176.514 174.600 -0.510 0.000 1.021 200 S CA 0.630 58.653 58.200 -0.295 0.000 0.974 200 S CB -0.132 62.869 63.200 -0.332 0.000 0.800 200 S HN 0.391 nan 8.310 nan 0.000 0.484 201 I N 1.271 121.432 120.570 -0.681 0.000 2.286 201 I HA -0.131 4.040 4.170 0.001 0.000 0.245 201 I C 2.491 178.518 176.117 -0.150 0.000 1.104 201 I CA 0.880 61.866 61.300 -0.524 0.000 1.397 201 I CB -0.268 37.476 38.000 -0.426 0.000 1.072 201 I HN 0.209 nan 8.210 nan 0.000 0.417 202 Q N 0.511 120.249 119.800 -0.103 0.000 2.230 202 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 202 Q C 1.991 178.031 176.000 0.067 0.000 0.963 202 Q CA 1.049 56.851 55.803 -0.002 0.000 0.866 202 Q CB -0.174 28.563 28.738 -0.001 0.000 0.931 202 Q HN 0.485 nan 8.270 nan 0.000 0.452 203 E N 0.109 120.354 120.200 0.075 0.000 2.158 203 E HA -0.051 4.300 4.350 0.001 0.000 0.191 203 E C 2.163 178.898 176.600 0.225 0.000 0.982 203 E CA 0.429 56.949 56.400 0.201 0.000 0.823 203 E CB 0.098 29.924 29.700 0.210 0.000 0.766 203 E HN 0.109 nan 8.360 nan 0.000 0.468 204 V N 1.601 121.610 119.914 0.158 0.000 2.427 204 V HA -0.209 3.912 4.120 0.001 0.000 0.248 204 V C 2.254 178.469 176.094 0.202 0.000 1.051 204 V CA 1.482 63.900 62.300 0.197 0.000 1.048 204 V CB -0.306 31.658 31.823 0.236 0.000 0.666 204 V HN 0.190 nan 8.190 nan 0.000 0.456 205 K N -0.183 120.304 120.400 0.145 0.000 2.057 205 K HA -0.193 4.128 4.320 0.001 0.000 0.207 205 K C 2.407 179.077 176.600 0.118 0.000 1.049 205 K CA 1.437 57.794 56.287 0.116 0.000 0.931 205 K CB -0.239 32.314 32.500 0.088 0.000 0.714 205 K HN 0.281 nan 8.250 nan 0.000 0.440 206 R N 0.324 120.919 120.500 0.158 0.000 2.083 206 R HA -0.174 4.167 4.340 0.001 0.000 0.237 206 R C 2.244 178.641 176.300 0.162 0.000 1.137 206 R CA 1.545 57.762 56.100 0.195 0.000 0.951 206 R CB -0.335 30.154 30.300 0.316 0.000 0.851 206 R HN 0.151 nan 8.270 nan 0.000 0.434 207 F N 1.337 121.206 119.950 -0.134 0.000 2.091 207 F HA -0.236 4.292 4.527 0.001 0.000 0.299 207 F C 1.797 177.583 175.800 -0.024 0.000 1.103 207 F CA 1.638 59.388 58.000 -0.416 0.000 1.228 207 F CB -0.390 38.289 39.000 -0.534 0.000 0.984 207 F HN -0.013 nan 8.300 nan 0.000 0.477 208 L N -0.537 120.682 121.223 -0.005 0.000 1.994 208 L HA -0.251 4.089 4.340 0.001 0.000 0.208 208 L C 2.416 179.188 176.870 -0.163 0.000 1.071 208 L CA 1.998 56.780 54.840 -0.097 0.000 0.745 208 L CB -1.357 40.706 42.059 0.006 0.000 0.892 208 L HN 0.144 nan 8.230 nan 0.000 0.431 209 T N -0.878 113.609 114.554 -0.112 0.000 2.720 209 T HA -0.191 4.160 4.350 0.001 0.000 0.268 209 T C 1.451 176.074 174.700 -0.128 0.000 1.037 209 T CA 1.579 63.605 62.100 -0.123 0.000 1.144 209 T CB -0.291 68.580 68.868 0.005 0.000 0.864 209 T HN 0.306 nan 8.240 nan 0.000 0.444 210 D N 0.002 120.316 120.400 -0.143 0.000 2.117 210 D HA -0.072 4.568 4.640 0.001 0.000 0.197 210 D C 1.646 177.686 176.300 -0.434 0.000 0.987 210 D CA 0.934 54.786 54.000 -0.247 0.000 0.829 210 D CB -0.310 40.359 40.800 -0.219 0.000 0.961 210 D HN 0.570 nan 8.370 nan 0.000 0.460 211 W N 0.680 121.742 121.300 -0.397 0.000 2.518 211 W HA 0.150 4.811 4.660 0.001 0.000 0.273 211 W C 2.245 178.541 176.519 -0.372 0.000 1.247 211 W CA -0.033 57.036 57.345 -0.460 0.000 1.288 211 W CB -0.157 28.894 29.460 -0.683 0.000 1.107 211 W HN -0.079 nan 8.180 nan 0.000 0.586 212 I N 0.035 120.526 120.570 -0.131 0.000 2.315 212 I HA -0.249 3.921 4.170 0.001 0.000 0.248 212 I C 2.384 178.442 176.117 -0.099 0.000 1.117 212 I CA 1.476 62.686 61.300 -0.149 0.000 1.404 212 I CB -0.396 37.439 38.000 -0.275 0.000 1.071 212 I HN 0.042 nan 8.210 nan 0.000 0.419 213 E N 1.198 121.337 120.200 -0.101 0.000 2.107 213 E HA -0.229 4.121 4.350 0.001 0.000 0.191 213 E C 2.362 178.920 176.600 -0.070 0.000 0.982 213 E CA 0.804 57.169 56.400 -0.058 0.000 0.809 213 E CB 0.107 29.771 29.700 -0.060 0.000 0.756 213 E HN 0.291 nan 8.360 nan 0.000 0.459 214 R N -0.539 119.873 120.500 -0.146 0.000 2.093 214 R HA 0.039 4.379 4.340 0.001 0.000 0.224 214 R C 2.128 178.413 176.300 -0.025 0.000 1.101 214 R CA 1.181 57.210 56.100 -0.119 0.000 0.979 214 R CB 0.114 30.202 30.300 -0.354 0.000 0.877 214 R HN 0.250 nan 8.270 nan 0.000 0.441 215 M N -0.823 118.681 119.600 -0.162 0.000 2.545 215 M HA 0.023 4.504 4.480 0.001 0.000 0.264 215 M C -0.093 176.179 176.300 -0.046 0.000 1.155 215 M CA 0.340 55.451 55.300 -0.316 0.000 1.162 215 M CB 0.568 32.822 32.600 -0.576 0.000 1.330 215 M HN -0.008 nan 8.290 nan 0.000 0.479 216 D N 1.505 121.891 120.400 -0.024 0.000 2.697 216 D HA -0.092 4.549 4.640 0.001 0.000 0.238 216 D C -2.314 174.008 176.300 0.036 0.000 1.152 216 D CA 0.087 54.106 54.000 0.033 0.000 0.666 216 D CB -0.330 40.524 40.800 0.090 0.000 1.037 216 D HN 0.168 nan 8.370 nan 0.000 0.423 217 P HA 0.032 nan 4.420 nan 0.000 0.271 217 P C 1.408 178.690 177.300 -0.031 0.000 1.218 217 P CA -0.096 62.963 63.100 -0.068 0.000 0.780 217 P CB 1.289 32.901 31.700 -0.147 0.000 0.901 218 V N -0.080 119.802 119.914 -0.054 0.000 3.041 218 V HA 0.039 4.160 4.120 0.001 0.000 0.260 218 V C 0.468 176.592 176.094 0.050 0.000 1.105 218 V CA 0.995 63.304 62.300 0.014 0.000 1.125 218 V CB -1.938 29.935 31.823 0.084 0.000 0.730 218 V HN 0.683 nan 8.190 nan 0.000 0.479 219 Y N -3.485 116.812 120.300 -0.005 0.000 2.774 219 Y HA 0.722 5.273 4.550 0.001 0.000 0.346 219 Y C -1.179 174.716 175.900 -0.008 0.000 1.222 219 Y CA -2.415 55.670 58.100 -0.025 0.000 1.088 219 Y CB 0.665 39.106 38.460 -0.031 0.000 1.354 219 Y HN -0.049 nan 8.280 nan 0.000 0.455 220 M N 2.363 122.151 119.600 0.313 0.000 2.336 220 M HA 0.846 5.327 4.480 0.001 0.000 0.342 220 M C -0.513 176.036 176.300 0.416 0.000 1.128 220 M CA -0.812 54.635 55.300 0.246 0.000 1.016 220 M CB 2.037 34.729 32.600 0.153 0.000 1.665 220 M HN 0.930 nan 8.290 nan 0.000 0.445 221 A N 2.373 125.377 122.820 0.308 0.000 2.430 221 A HA 0.969 5.290 4.320 0.001 0.000 0.300 221 A C -1.477 176.205 177.584 0.163 0.000 1.124 221 A CA -0.798 51.365 52.037 0.211 0.000 0.766 221 A CB 2.201 21.327 19.000 0.209 0.000 1.328 221 A HN 0.674 nan 8.150 nan 0.000 0.424 222 V N 0.671 120.601 119.914 0.026 0.000 3.023 222 V HA 0.634 4.755 4.120 0.001 0.000 0.294 222 V C -0.694 175.356 176.094 -0.072 0.000 1.324 222 V CA 0.164 62.487 62.300 0.039 0.000 0.979 222 V CB 2.402 34.299 31.823 0.123 0.000 1.093 222 V HN 1.733 nan 8.190 nan 0.000 0.434 223 S N 7.141 122.853 115.700 0.020 0.000 2.462 223 S HA 0.869 5.340 4.470 0.001 0.000 0.294 223 S C -0.818 173.821 174.600 0.065 0.000 1.144 223 S CA -0.657 57.581 58.200 0.063 0.000 1.088 223 S CB 1.250 64.611 63.200 0.268 0.000 1.009 223 S HN 0.754 nan 8.310 nan 0.000 0.484 224 L N 3.200 124.434 121.223 0.019 0.000 2.323 224 L HA 0.685 5.025 4.340 0.001 0.000 0.265 224 L C -2.303 174.624 176.870 0.094 0.000 1.012 224 L CA -2.774 52.061 54.840 -0.007 0.000 0.820 224 L CB 2.289 44.170 42.059 -0.295 0.000 1.334 224 L HN 0.479 nan 8.230 nan 0.000 0.427 225 P HA 0.238 nan 4.420 nan 0.000 0.276 225 P C -2.476 174.899 177.300 0.126 0.000 1.261 225 P CA -1.709 61.461 63.100 0.118 0.000 0.800 225 P CB 0.670 32.439 31.700 0.116 0.000 1.066 226 P HA -0.114 nan 4.420 nan 0.000 0.219 226 P C 1.346 178.698 177.300 0.087 0.000 1.146 226 P CA 1.950 65.084 63.100 0.056 0.000 0.808 226 P CB -0.628 31.066 31.700 -0.010 0.000 0.779 227 T N -4.844 109.766 114.554 0.092 0.000 3.160 227 T HA -0.011 4.340 4.350 0.001 0.000 0.257 227 T C 0.441 175.207 174.700 0.109 0.000 1.147 227 T CA -0.421 61.725 62.100 0.076 0.000 1.064 227 T CB -1.256 67.643 68.868 0.053 0.000 0.949 227 T HN -0.116 nan 8.240 nan 0.000 0.526 228 F N 3.524 123.491 119.950 0.029 0.000 2.604 228 F HA 0.314 4.841 4.527 0.001 0.000 0.393 228 F C -0.012 175.815 175.800 0.046 0.000 1.043 228 F CA -0.218 57.808 58.000 0.044 0.000 1.227 228 F CB -0.012 39.017 39.000 0.048 0.000 1.016 228 F HN 0.066 nan 8.300 nan 0.000 0.556 229 S N 6.128 121.370 115.700 -0.764 0.000 2.569 229 S HA 0.783 5.253 4.470 0.001 0.000 0.280 229 S C -1.660 172.519 174.600 -0.701 0.000 1.111 229 S CA -0.603 57.215 58.200 -0.637 0.000 0.887 229 S CB 2.092 65.116 63.200 -0.294 0.000 1.095 229 S HN 0.601 nan 8.310 nan 0.000 0.476 230 F N 1.670 121.259 119.950 -0.602 0.000 2.660 230 F HA 0.446 4.974 4.527 0.001 0.000 0.320 230 F C -3.037 172.500 175.800 -0.439 0.000 1.099 230 F CA -1.198 56.549 58.000 -0.422 0.000 1.061 230 F CB 1.059 39.871 39.000 -0.313 0.000 1.300 230 F HN 0.363 nan 8.300 nan 0.000 0.479 231 P HA 0.252 nan 4.420 nan 0.000 0.270 231 P C -1.614 175.239 177.300 -0.746 0.000 1.227 231 P CA 0.107 62.338 63.100 -1.449 0.000 0.788 231 P CB 0.592 31.713 31.700 -0.965 0.000 0.926 232 E N 0.265 120.097 120.200 -0.614 0.000 2.397 232 E HA 0.092 4.443 4.350 0.001 0.000 0.293 232 E C -1.079 175.366 176.600 -0.258 0.000 0.930 232 E CA -0.444 55.755 56.400 -0.334 0.000 0.793 232 E CB 0.903 30.458 29.700 -0.242 0.000 1.259 232 E HN 0.213 nan 8.360 nan 0.000 0.406 233 E N 2.413 122.497 120.200 -0.194 0.000 1.802 233 E HA 0.175 4.525 4.350 0.001 0.000 0.265 233 E C -0.749 175.770 176.600 -0.135 0.000 1.168 233 E CA 0.140 56.446 56.400 -0.156 0.000 1.033 233 E CB 0.359 29.991 29.700 -0.113 0.000 1.095 233 E HN 0.493 nan 8.360 nan 0.000 0.436 234 S N 0.865 116.467 115.700 -0.163 0.000 2.688 234 S HA 0.369 4.840 4.470 0.001 0.000 0.275 234 S C 0.768 175.234 174.600 -0.224 0.000 1.175 234 S CA -0.855 57.263 58.200 -0.137 0.000 0.818 234 S CB 1.041 64.191 63.200 -0.084 0.000 1.157 234 S HN 0.099 nan 8.310 nan 0.000 0.482 235 N N 0.912 119.498 118.700 -0.191 0.000 2.120 235 N HA -0.080 4.661 4.740 0.001 0.000 0.188 235 N C 1.757 177.055 175.510 -0.353 0.000 1.024 235 N CA 1.420 54.270 53.050 -0.334 0.000 0.852 235 N CB -0.643 37.778 38.487 -0.111 0.000 1.003 235 N HN 0.680 nan 8.380 nan 0.000 0.424 236 R N 0.576 120.990 120.500 -0.143 0.000 2.070 236 R HA -0.081 4.260 4.340 0.001 0.000 0.233 236 R C 2.267 178.565 176.300 -0.004 0.000 1.137 236 R CA 1.788 57.866 56.100 -0.036 0.000 0.945 236 R CB -0.678 29.683 30.300 0.102 0.000 0.845 236 R HN 0.216 nan 8.270 nan 0.000 0.430 237 G N 0.336 109.130 108.800 -0.009 0.000 2.440 237 G HA2 -0.269 3.692 3.960 0.001 0.000 0.218 237 G HA3 -0.269 3.692 3.960 0.001 0.000 0.218 237 G C 1.443 176.312 174.900 -0.052 0.000 1.154 237 G CA 0.744 45.861 45.100 0.028 0.000 0.767 237 G HN 0.320 nan 8.290 nan 0.000 0.552 238 R N -0.285 120.037 120.500 -0.297 0.000 2.073 238 R HA 0.146 4.487 4.340 0.001 0.000 0.229 238 R C 2.637 178.694 176.300 -0.405 0.000 1.120 238 R CA 0.874 56.696 56.100 -0.464 0.000 0.967 238 R CB -0.354 29.323 30.300 -1.039 0.000 0.862 238 R HN 0.366 nan 8.270 nan 0.000 0.436 239 I N 0.788 121.027 120.570 -0.550 0.000 2.226 239 I HA -0.298 3.873 4.170 0.001 0.000 0.245 239 I C 2.277 178.358 176.117 -0.061 0.000 1.100 239 I CA 1.428 62.557 61.300 -0.285 0.000 1.374 239 I CB -0.257 37.541 38.000 -0.336 0.000 1.057 239 I HN 0.147 nan 8.210 nan 0.000 0.413 240 I N 0.275 120.819 120.570 -0.042 0.000 2.179 240 I HA -0.297 3.873 4.170 0.001 0.000 0.242 240 I C 2.837 178.945 176.117 -0.016 0.000 1.088 240 I CA 1.303 62.568 61.300 -0.059 0.000 1.357 240 I CB -0.427 37.594 38.000 0.036 0.000 1.051 240 I HN 0.211 nan 8.210 nan 0.000 0.409 241 R N 1.001 121.609 120.500 0.180 0.000 2.070 241 R HA -0.186 4.155 4.340 0.001 0.000 0.233 241 R C 1.557 177.977 176.300 0.199 0.000 1.137 241 R CA 2.142 58.396 56.100 0.256 0.000 0.945 241 R CB -0.100 30.396 30.300 0.327 0.000 0.845 241 R HN 0.324 nan 8.270 nan 0.000 0.430 242 D N -1.059 119.473 120.400 0.220 0.000 2.346 242 D HA 0.013 4.654 4.640 0.001 0.000 0.206 242 D C 1.443 177.863 176.300 0.200 0.000 1.001 242 D CA 0.537 54.691 54.000 0.257 0.000 0.871 242 D CB 0.353 41.406 40.800 0.421 0.000 0.943 242 D HN 0.324 nan 8.370 nan 0.000 0.518 243 C N -0.034 119.363 119.300 0.162 0.000 2.662 243 C HA 0.182 4.642 4.460 0.001 0.000 0.307 243 C C 2.329 177.321 174.990 0.004 0.000 1.796 243 C CA -0.414 58.670 59.018 0.109 0.000 2.153 243 C CB -0.474 27.369 27.740 0.171 0.000 1.725 243 C HN 0.181 nan 8.230 nan 0.000 0.733 244 L N 1.953 123.130 121.223 -0.076 0.000 1.963 244 L HA -0.155 4.186 4.340 0.001 0.000 0.220 244 L C 2.244 178.952 176.870 -0.271 0.000 1.076 244 L CA 2.224 56.925 54.840 -0.231 0.000 0.772 244 L CB -1.417 40.380 42.059 -0.436 0.000 0.892 244 L HN 0.416 nan 8.230 nan 0.000 0.435 245 L N 0.327 121.378 121.223 -0.287 0.000 1.970 245 L HA -0.174 4.167 4.340 0.001 0.000 0.212 245 L C 0.012 176.823 176.870 -0.098 0.000 1.071 245 L CA 1.767 56.452 54.840 -0.258 0.000 0.751 245 L CB -2.328 39.514 42.059 -0.361 0.000 0.889 245 L HN 0.255 nan 8.230 nan 0.000 0.432 246 P HA -0.140 nan 4.420 nan 0.000 0.215 246 P C 1.916 179.235 177.300 0.032 0.000 1.153 246 P CA 1.442 64.567 63.100 0.041 0.000 0.853 246 P CB 0.001 31.746 31.700 0.075 0.000 0.788 247 V N 0.784 120.705 119.914 0.012 0.000 2.343 247 V HA -0.210 3.911 4.120 0.001 0.000 0.247 247 V C 2.866 178.976 176.094 0.028 0.000 1.051 247 V CA 2.186 64.506 62.300 0.034 0.000 1.036 247 V CB -1.671 30.134 31.823 -0.032 0.000 0.654 247 V HN 0.109 nan 8.190 nan 0.000 0.451 248 A N -0.337 122.444 122.820 -0.067 0.000 1.930 248 A HA -0.258 4.062 4.320 0.001 0.000 0.217 248 A C 2.293 179.851 177.584 -0.044 0.000 1.175 248 A CA 1.905 53.889 52.037 -0.087 0.000 0.627 248 A CB -0.448 18.443 19.000 -0.182 0.000 0.815 248 A HN 0.655 nan 8.150 nan 0.000 0.443 249 E N -0.014 120.164 120.200 -0.036 0.000 2.072 249 E HA -0.229 4.122 4.350 0.001 0.000 0.191 249 E C 2.053 178.657 176.600 0.007 0.000 0.985 249 E CA 1.402 57.789 56.400 -0.022 0.000 0.801 249 E CB -0.172 29.532 29.700 0.006 0.000 0.750 249 E HN 0.610 nan 8.360 nan 0.000 0.452 250 K N -0.423 120.007 120.400 0.050 0.000 2.032 250 K HA -0.188 4.133 4.320 0.001 0.000 0.209 250 K C 1.381 177.951 176.600 -0.050 0.000 1.048 250 K CA 1.802 58.098 56.287 0.015 0.000 0.927 250 K CB -0.113 32.419 32.500 0.054 0.000 0.712 250 K HN 0.257 nan 8.250 nan 0.000 0.441 251 H N -0.189 118.853 119.070 -0.045 0.000 2.526 251 H HA 0.156 4.712 4.556 0.001 0.000 0.274 251 H C -0.196 175.095 175.328 -0.063 0.000 0.999 251 H CA 0.427 56.447 56.048 -0.047 0.000 1.157 251 H CB -0.186 29.551 29.762 -0.043 0.000 1.407 251 H HN 0.357 nan 8.280 nan 0.000 0.568 252 N N 0.799 119.509 118.700 0.017 0.000 2.727 252 N HA -0.192 4.549 4.740 0.001 0.000 0.249 252 N C -0.994 174.470 175.510 -0.077 0.000 1.048 252 N CA -0.114 52.903 53.050 -0.055 0.000 0.714 252 N CB -0.802 37.645 38.487 -0.066 0.000 0.959 252 N HN 0.334 nan 8.380 nan 0.000 0.544 253 I N 1.521 122.058 120.570 -0.057 0.000 2.339 253 I HA 0.352 4.522 4.170 0.001 0.000 0.290 253 I C -1.818 174.237 176.117 -0.103 0.000 0.994 253 I CA -1.964 59.298 61.300 -0.063 0.000 1.191 253 I CB 1.451 39.437 38.000 -0.023 0.000 1.343 253 I HN 0.003 nan 8.210 nan 0.000 0.458 254 P HA -0.015 nan 4.420 nan 0.000 0.270 254 P C -0.955 176.365 177.300 0.033 0.000 1.223 254 P CA -0.040 62.980 63.100 -0.134 0.000 0.785 254 P CB 0.749 32.367 31.700 -0.138 0.000 0.923 255 F N 1.901 121.716 119.950 -0.225 0.000 2.375 255 F HA 0.568 5.096 4.527 0.001 0.000 0.361 255 F C -0.698 175.066 175.800 -0.059 0.000 1.117 255 F CA -1.730 56.189 58.000 -0.134 0.000 1.037 255 F CB 0.633 39.510 39.000 -0.205 0.000 1.192 255 F HN 0.361 nan 8.300 nan 0.000 0.452 256 A N 8.145 130.808 122.820 -0.261 0.000 2.260 256 A HA 0.694 5.015 4.320 0.001 0.000 0.308 256 A C -0.638 176.589 177.584 -0.595 0.000 1.254 256 A CA -0.569 51.200 52.037 -0.446 0.000 0.874 256 A CB 0.179 18.781 19.000 -0.663 0.000 1.153 256 A HN 0.790 nan 8.150 nan 0.000 0.527 257 M N 3.722 123.000 119.600 -0.537 0.000 2.125 257 M HA 0.379 4.860 4.480 0.001 0.000 0.321 257 M C -0.799 175.259 176.300 -0.403 0.000 0.983 257 M CA 0.232 55.198 55.300 -0.557 0.000 0.934 257 M CB 1.582 33.806 32.600 -0.626 0.000 1.542 257 M HN 0.599 nan 8.290 nan 0.000 0.424 258 M N 5.475 124.823 119.600 -0.421 0.000 2.103 258 M HA 0.503 4.984 4.480 0.001 0.000 0.350 258 M C -0.871 175.337 176.300 -0.153 0.000 1.100 258 M CA -0.245 54.715 55.300 -0.567 0.000 1.042 258 M CB 0.353 32.278 32.600 -1.125 0.000 1.368 258 M HN 0.612 nan 8.290 nan 0.000 0.404 259 I N 1.332 121.894 120.570 -0.014 0.000 2.428 259 I HA 0.592 4.763 4.170 0.001 0.000 0.296 259 I C 1.088 177.351 176.117 0.244 0.000 0.985 259 I CA -0.110 61.244 61.300 0.089 0.000 1.260 259 I CB 1.592 39.581 38.000 -0.019 0.000 1.389 259 I HN 0.980 nan 8.210 nan 0.000 0.484 260 G N 3.882 112.781 108.800 0.165 0.000 2.296 260 G HA2 -0.197 3.763 3.960 0.001 0.000 0.188 260 G HA3 -0.197 3.763 3.960 0.001 0.000 0.188 260 G C -0.079 174.800 174.900 -0.034 0.000 1.000 260 G CA -0.134 45.002 45.100 0.061 0.000 0.672 260 G HN 0.517 nan 8.290 nan 0.000 0.483 261 V N 1.485 121.424 119.914 0.042 0.000 2.583 261 V HA 0.661 4.782 4.120 0.001 0.000 0.287 261 V C 0.361 176.461 176.094 0.010 0.000 1.051 261 V CA 0.059 62.328 62.300 -0.053 0.000 1.010 261 V CB 1.455 33.340 31.823 0.102 0.000 0.988 261 V HN 0.297 nan 8.190 nan 0.000 0.478 262 K N 6.245 126.628 120.400 -0.029 0.000 2.389 262 K HA 0.393 4.714 4.320 0.001 0.000 0.261 262 K C -0.403 176.257 176.600 0.099 0.000 1.014 262 K CA -0.765 55.552 56.287 0.049 0.000 0.920 262 K CB 0.556 33.094 32.500 0.063 0.000 1.149 262 K HN 0.597 nan 8.250 nan 0.000 0.444 263 K N 2.994 123.464 120.400 0.116 0.000 2.382 263 K HA 0.049 4.370 4.320 0.001 0.000 0.275 263 K C -0.032 176.638 176.600 0.117 0.000 1.009 263 K CA -0.086 56.281 56.287 0.134 0.000 0.970 263 K CB 0.445 33.024 32.500 0.131 0.000 0.934 263 K HN 0.553 nan 8.250 nan 0.000 0.479 264 R N -0.121 120.453 120.500 0.123 0.000 3.109 264 R HA -0.168 4.173 4.340 0.001 0.000 0.241 264 R C 1.068 177.428 176.300 0.099 0.000 0.882 264 R CA 0.712 56.878 56.100 0.109 0.000 0.604 264 R CB -2.428 27.926 30.300 0.090 0.000 1.040 264 R HN 0.591 nan 8.270 nan 0.000 0.480 265 V N -3.902 116.073 119.914 0.101 0.000 3.041 265 V HA -0.031 4.089 4.120 0.001 0.000 0.260 265 V C 0.961 177.092 176.094 0.061 0.000 1.105 265 V CA 1.562 63.892 62.300 0.051 0.000 1.125 265 V CB -0.208 31.614 31.823 -0.000 0.000 0.730 265 V HN 0.626 nan 8.190 nan 0.000 0.479 266 H N 0.284 119.351 119.070 -0.005 0.000 2.488 266 H HA 0.374 4.931 4.556 0.001 0.000 0.237 266 H C -2.107 173.248 175.328 0.045 0.000 1.395 266 H CA -1.912 54.136 56.048 0.000 0.000 1.491 266 H CB 1.791 31.540 29.762 -0.022 0.000 1.567 266 H HN 0.106 nan 8.280 nan 0.000 0.508 267 P HA -0.284 nan 4.420 nan 0.000 0.219 267 P C 1.427 178.815 177.300 0.147 0.000 1.161 267 P CA 2.276 65.469 63.100 0.154 0.000 0.909 267 P CB 0.202 31.975 31.700 0.121 0.000 0.793 268 A N -1.203 121.746 122.820 0.214 0.000 2.076 268 A HA -0.142 4.179 4.320 0.001 0.000 0.220 268 A C 2.051 179.786 177.584 0.252 0.000 1.160 268 A CA 1.227 53.390 52.037 0.210 0.000 0.653 268 A CB -1.503 17.647 19.000 0.251 0.000 0.801 268 A HN 0.179 nan 8.150 nan 0.000 0.455 269 L N -1.367 119.867 121.223 0.018 0.000 2.599 269 L HA 0.152 4.493 4.340 0.001 0.000 0.230 269 L C 1.810 178.860 176.870 0.299 0.000 1.141 269 L CA 0.260 55.158 54.840 0.097 0.000 0.877 269 L CB -0.879 41.058 42.059 -0.203 0.000 1.009 269 L HN 0.634 nan 8.230 nan 0.000 0.447 270 G N 0.805 109.699 108.800 0.156 0.000 2.583 270 G HA2 -0.386 3.575 3.960 0.001 0.000 0.292 270 G HA3 -0.386 3.575 3.960 0.001 0.000 0.292 270 G C 0.522 175.446 174.900 0.040 0.000 1.203 270 G CA 0.353 45.475 45.100 0.036 0.000 0.987 270 G HN 0.275 nan 8.290 nan 0.000 0.554 271 D N 1.147 121.545 120.400 -0.003 0.000 2.311 271 D HA 0.085 4.726 4.640 0.001 0.000 0.212 271 D C 2.335 178.433 176.300 -0.335 0.000 0.972 271 D CA 1.544 55.445 54.000 -0.165 0.000 0.887 271 D CB -0.402 40.274 40.800 -0.207 0.000 0.915 271 D HN 0.832 nan 8.370 nan 0.000 0.497 272 A N 0.191 122.982 122.820 -0.048 0.000 2.370 272 A HA 0.368 4.689 4.320 0.001 0.000 0.238 272 A C 1.772 179.422 177.584 0.110 0.000 1.289 272 A CA 0.333 52.425 52.037 0.092 0.000 0.885 272 A CB 0.031 19.156 19.000 0.208 0.000 0.961 272 A HN 0.181 nan 8.150 nan 0.000 0.499 273 G N -0.630 108.226 108.800 0.093 0.000 3.393 273 G HA2 0.282 4.243 3.960 0.001 0.000 0.255 273 G HA3 0.282 4.243 3.960 0.001 0.000 0.255 273 G C -0.522 174.467 174.900 0.149 0.000 1.097 273 G CA -0.182 44.981 45.100 0.106 0.000 0.780 273 G HN 0.298 nan 8.290 nan 0.000 0.540 274 D N 0.093 120.616 120.400 0.205 0.000 2.225 274 D HA 0.504 5.145 4.640 0.001 0.000 0.249 274 D C -0.681 175.715 176.300 0.160 0.000 1.052 274 D CA -0.320 53.797 54.000 0.195 0.000 0.909 274 D CB 2.045 43.016 40.800 0.285 0.000 1.186 274 D HN -0.012 nan 8.370 nan 0.000 0.431 275 F N 1.013 120.890 119.950 -0.122 0.000 2.697 275 F HA 0.657 5.185 4.527 0.001 0.000 0.386 275 F C -0.883 174.749 175.800 -0.279 0.000 1.154 275 F CA -1.250 56.598 58.000 -0.253 0.000 1.108 275 F CB 1.052 39.938 39.000 -0.190 0.000 1.429 275 F HN 0.091 nan 8.300 nan 0.000 0.509 276 V N 0.446 119.638 119.914 -1.202 0.000 3.078 276 V HA 0.935 5.056 4.120 0.001 0.000 0.311 276 V C -0.964 174.562 176.094 -0.946 0.000 1.138 276 V CA -0.004 61.763 62.300 -0.888 0.000 1.007 276 V CB 1.769 33.168 31.823 -0.706 0.000 1.045 276 V HN 1.128 nan 8.190 nan 0.000 0.432 277 G N 2.837 111.353 108.800 -0.473 0.000 2.733 277 G HA2 0.452 4.412 3.960 0.001 0.000 0.297 277 G HA3 0.452 4.412 3.960 0.001 0.000 0.297 277 G C -1.645 173.149 174.900 -0.176 0.000 1.422 277 G CA -0.836 44.075 45.100 -0.316 0.000 0.942 277 G HN 0.890 nan 8.290 nan 0.000 0.510 278 K N 0.584 120.907 120.400 -0.128 0.000 2.350 278 K HA 0.588 4.908 4.320 0.001 0.000 0.279 278 K C 0.359 176.942 176.600 -0.028 0.000 1.027 278 K CA -0.183 56.062 56.287 -0.070 0.000 0.969 278 K CB 0.837 33.303 32.500 -0.058 0.000 0.954 278 K HN 0.628 nan 8.250 nan 0.000 0.474 279 A N 2.564 125.385 122.820 0.002 0.000 2.281 279 A HA 0.354 4.675 4.320 0.001 0.000 0.329 279 A C -0.525 177.081 177.584 0.037 0.000 1.122 279 A CA -0.628 51.432 52.037 0.039 0.000 0.850 279 A CB 1.423 20.473 19.000 0.084 0.000 1.207 279 A HN 0.716 nan 8.150 nan 0.000 0.495 280 S N 0.017 115.745 115.700 0.046 0.000 2.584 280 S HA 0.370 4.840 4.470 0.001 0.000 0.273 280 S C 0.820 175.452 174.600 0.053 0.000 1.311 280 S CA -0.537 57.682 58.200 0.032 0.000 1.034 280 S CB 0.233 63.440 63.200 0.012 0.000 0.939 280 S HN 0.500 nan 8.310 nan 0.000 0.513 281 M N 2.592 122.218 119.600 0.044 0.000 2.502 281 M HA 0.111 4.592 4.480 0.001 0.000 0.243 281 M C 0.870 177.204 176.300 0.056 0.000 1.130 281 M CA 0.369 55.701 55.300 0.054 0.000 1.055 281 M CB -1.467 31.160 32.600 0.046 0.000 1.457 281 M HN 0.595 nan 8.290 nan 0.000 0.488 282 D N 1.165 121.590 120.400 0.042 0.000 2.126 282 D HA -0.155 4.486 4.640 0.001 0.000 0.190 282 D C 2.075 178.409 176.300 0.057 0.000 1.001 282 D CA 1.967 55.992 54.000 0.041 0.000 0.841 282 D CB -0.590 40.214 40.800 0.006 0.000 0.949 282 D HN 0.432 nan 8.370 nan 0.000 0.446 283 G N 0.284 109.095 108.800 0.018 0.000 2.440 283 G HA2 -0.222 3.738 3.960 0.001 0.000 0.218 283 G HA3 -0.222 3.738 3.960 0.001 0.000 0.218 283 G C 1.811 176.786 174.900 0.125 0.000 1.154 283 G CA 1.062 46.175 45.100 0.021 0.000 0.767 283 G HN 0.285 nan 8.290 nan 0.000 0.552 284 V N 0.627 120.607 119.914 0.110 0.000 2.453 284 V HA -0.116 4.005 4.120 0.001 0.000 0.247 284 V C 2.517 178.544 176.094 -0.113 0.000 1.048 284 V CA 2.014 64.307 62.300 -0.011 0.000 1.049 284 V CB -0.243 31.578 31.823 -0.003 0.000 0.672 284 V HN 0.569 nan 8.190 nan 0.000 0.457 285 E N 0.147 120.335 120.200 -0.021 0.000 2.051 285 E HA -0.312 4.038 4.350 0.001 0.000 0.192 285 E C 2.203 178.720 176.600 -0.137 0.000 0.991 285 E CA 1.846 58.220 56.400 -0.044 0.000 0.799 285 E CB -0.180 29.570 29.700 0.083 0.000 0.748 285 E HN 0.794 nan 8.360 nan 0.000 0.449 286 H N 0.330 119.360 119.070 -0.067 0.000 2.319 286 H HA -0.088 4.468 4.556 0.001 0.000 0.299 286 H C 2.205 177.524 175.328 -0.015 0.000 1.092 286 H CA 2.027 58.079 56.048 0.006 0.000 1.302 286 H CB -0.192 29.664 29.762 0.155 0.000 1.373 286 H HN 0.133 nan 8.280 nan 0.000 0.497 287 L N -0.236 120.993 121.223 0.010 0.000 2.042 287 L HA -0.211 4.130 4.340 0.001 0.000 0.210 287 L C 2.482 179.133 176.870 -0.364 0.000 1.076 287 L CA 1.186 55.922 54.840 -0.172 0.000 0.749 287 L CB -0.369 41.343 42.059 -0.579 0.000 0.893 287 L HN 0.354 nan 8.230 nan 0.000 0.432 288 L N -0.849 119.995 121.223 -0.632 0.000 2.056 288 L HA -0.196 4.144 4.340 0.001 0.000 0.207 288 L C 2.799 179.281 176.870 -0.647 0.000 1.078 288 L CA 1.199 55.638 54.840 -0.668 0.000 0.749 288 L CB -0.474 41.030 42.059 -0.924 0.000 0.901 288 L HN 0.243 nan 8.230 nan 0.000 0.433 289 R N 0.027 120.045 120.500 -0.804 0.000 2.073 289 R HA -0.110 4.231 4.340 0.001 0.000 0.229 289 R C 2.031 178.181 176.300 -0.249 0.000 1.120 289 R CA 1.061 56.885 56.100 -0.460 0.000 0.967 289 R CB 0.100 30.223 30.300 -0.295 0.000 0.862 289 R HN 0.217 nan 8.270 nan 0.000 0.436 290 E N -0.261 119.739 120.200 -0.334 0.000 2.358 290 E HA -0.096 4.255 4.350 0.001 0.000 0.195 290 E C -0.172 176.106 176.600 -0.538 0.000 1.010 290 E CA 0.772 56.906 56.400 -0.444 0.000 0.856 290 E CB 0.272 29.574 29.700 -0.664 0.000 0.795 290 E HN 0.438 nan 8.360 nan 0.000 0.504 291 Y N 0.626 120.926 120.300 -0.000 0.000 2.562 291 Y HA 0.208 4.759 4.550 0.001 0.000 0.363 291 Y C -1.617 174.377 175.900 0.155 0.000 0.991 291 Y CA -1.897 56.273 58.100 0.117 0.000 1.121 291 Y CB 1.230 39.835 38.460 0.241 0.000 1.159 291 Y HN -0.040 nan 8.280 nan 0.000 0.651 292 P HA -0.102 nan 4.420 nan 0.000 0.226 292 P C -0.009 177.372 177.300 0.135 0.000 1.153 292 P CA 1.285 64.474 63.100 0.149 0.000 0.777 292 P CB 0.375 32.131 31.700 0.094 0.000 0.794 293 N N -0.868 117.903 118.700 0.119 0.000 2.270 293 N HA 0.061 4.802 4.740 0.001 0.000 0.198 293 N C -0.125 175.397 175.510 0.019 0.000 1.117 293 N CA -0.252 52.836 53.050 0.062 0.000 0.845 293 N CB -0.102 38.416 38.487 0.051 0.000 0.980 293 N HN 0.149 nan 8.380 nan 0.000 0.486 294 N N 0.559 119.280 118.700 0.034 0.000 2.370 294 N HA 0.281 5.022 4.740 0.001 0.000 0.303 294 N C -1.028 174.297 175.510 -0.307 0.000 1.103 294 N CA -0.431 52.503 53.050 -0.194 0.000 0.848 294 N CB 1.412 39.714 38.487 -0.308 0.000 1.235 294 N HN -0.089 nan 8.380 nan 0.000 0.496 295 K N 1.341 121.464 120.400 -0.463 0.000 2.206 295 K HA 0.464 4.785 4.320 0.001 0.000 0.264 295 K C -1.136 175.246 176.600 -0.363 0.000 0.967 295 K CA -0.400 55.690 56.287 -0.328 0.000 0.844 295 K CB 1.151 33.265 32.500 -0.643 0.000 1.099 295 K HN 0.366 nan 8.250 nan 0.000 0.441 296 F N 2.676 122.801 119.950 0.292 0.000 2.507 296 F HA 0.406 4.934 4.527 0.001 0.000 0.325 296 F C -0.189 175.721 175.800 0.183 0.000 1.116 296 F CA -0.953 57.155 58.000 0.179 0.000 0.930 296 F CB 1.158 40.203 39.000 0.075 0.000 1.146 296 F HN 0.113 nan 8.300 nan 0.000 0.447 297 L N 4.436 125.772 121.223 0.189 0.000 2.287 297 L HA 0.726 5.066 4.340 0.001 0.000 0.287 297 L C -0.912 176.037 176.870 0.132 0.000 1.022 297 L CA -0.768 54.120 54.840 0.081 0.000 0.814 297 L CB 1.526 43.448 42.059 -0.228 0.000 1.217 297 L HN 0.367 nan 8.230 nan 0.000 0.420 298 V N 1.938 121.940 119.914 0.145 0.000 2.735 298 V HA 0.644 4.765 4.120 0.001 0.000 0.310 298 V C -0.284 175.562 176.094 -0.413 0.000 1.061 298 V CA -0.502 61.749 62.300 -0.082 0.000 0.913 298 V CB 2.252 34.017 31.823 -0.097 0.000 1.005 298 V HN 0.733 nan 8.190 nan 0.000 0.428 299 T N 5.080 119.267 114.554 -0.612 0.000 2.956 299 T HA 0.712 5.063 4.350 0.001 0.000 0.312 299 T C -1.041 173.507 174.700 -0.254 0.000 1.151 299 T CA -0.392 61.293 62.100 -0.692 0.000 1.024 299 T CB 1.238 69.287 68.868 -1.366 0.000 1.140 299 T HN 0.563 nan 8.240 nan 0.000 0.473 300 M N 4.152 123.733 119.600 -0.032 0.000 2.602 300 M HA 0.471 4.952 4.480 0.001 0.000 0.312 300 M C 0.162 176.622 176.300 0.267 0.000 1.181 300 M CA -0.875 54.505 55.300 0.134 0.000 0.910 300 M CB 2.202 34.823 32.600 0.035 0.000 1.723 300 M HN 0.495 nan 8.290 nan 0.000 0.459 301 L N 0.671 122.043 121.223 0.248 0.000 2.307 301 L HA 0.207 4.547 4.340 0.001 0.000 0.211 301 L C 0.944 177.790 176.870 -0.040 0.000 1.099 301 L CA 1.195 56.054 54.840 0.032 0.000 0.816 301 L CB 0.232 42.144 42.059 -0.246 0.000 0.952 301 L HN 0.694 nan 8.230 nan 0.000 0.455 302 S N -0.560 115.114 115.700 -0.043 0.000 2.523 302 S HA 0.108 4.578 4.470 0.001 0.000 0.275 302 S C 1.452 176.028 174.600 -0.040 0.000 1.281 302 S CA -0.434 57.719 58.200 -0.079 0.000 1.050 302 S CB 0.685 63.832 63.200 -0.089 0.000 0.937 302 S HN 0.375 nan 8.310 nan 0.000 0.492 303 R N 2.756 123.228 120.500 -0.047 0.000 2.105 303 R HA -0.113 4.227 4.340 0.001 0.000 0.239 303 R C 0.918 177.206 176.300 -0.021 0.000 1.135 303 R CA 1.899 57.984 56.100 -0.025 0.000 0.967 303 R CB -0.202 30.079 30.300 -0.031 0.000 0.861 303 R HN 0.658 nan 8.270 nan 0.000 0.442 304 E N -0.154 120.025 120.200 -0.034 0.000 2.472 304 E HA -0.076 4.275 4.350 0.001 0.000 0.200 304 E C 0.841 177.437 176.600 -0.006 0.000 1.046 304 E CA 0.856 57.242 56.400 -0.023 0.000 0.871 304 E CB -0.064 29.613 29.700 -0.038 0.000 0.806 304 E HN 0.496 nan 8.360 nan 0.000 0.533 305 N N -0.714 117.982 118.700 -0.006 0.000 2.388 305 N HA -0.038 4.702 4.740 0.001 0.000 0.176 305 N C 1.266 176.777 175.510 0.001 0.000 1.062 305 N CA -0.108 52.944 53.050 0.002 0.000 0.895 305 N CB 0.341 38.828 38.487 0.000 0.000 1.018 305 N HN -0.024 nan 8.380 nan 0.000 0.456 306 Q N 0.504 120.304 119.800 0.000 0.000 2.061 306 Q HA -0.236 4.105 4.340 0.001 0.000 0.204 306 Q C 1.785 177.768 176.000 -0.028 0.000 0.984 306 Q CA 1.463 57.255 55.803 -0.018 0.000 0.846 306 Q CB -0.806 27.924 28.738 -0.014 0.000 0.902 306 Q HN 0.594 nan 8.270 nan 0.000 0.421 307 H N 1.530 120.566 119.070 -0.057 0.000 2.326 307 H HA -0.105 4.452 4.556 0.001 0.000 0.301 307 H C 1.766 177.061 175.328 -0.055 0.000 1.081 307 H CA 1.833 57.844 56.048 -0.062 0.000 1.334 307 H CB 0.344 30.075 29.762 -0.052 0.000 1.385 307 H HN 0.505 nan 8.280 nan 0.000 0.504 308 E N 0.550 120.752 120.200 0.004 0.000 2.204 308 E HA -0.147 4.203 4.350 0.001 0.000 0.195 308 E C 2.407 178.955 176.600 -0.086 0.000 0.990 308 E CA 0.888 57.269 56.400 -0.032 0.000 0.821 308 E CB -0.391 29.337 29.700 0.047 0.000 0.750 308 E HN 0.323 nan 8.360 nan 0.000 0.477 309 L N 1.483 122.655 121.223 -0.084 0.000 2.056 309 L HA -0.115 4.226 4.340 0.001 0.000 0.207 309 L C 2.276 179.071 176.870 -0.124 0.000 1.078 309 L CA 1.235 56.026 54.840 -0.080 0.000 0.749 309 L CB -0.240 41.772 42.059 -0.078 0.000 0.901 309 L HN 0.002 nan 8.230 nan 0.000 0.433 310 V N -0.973 118.821 119.914 -0.200 0.000 2.343 310 V HA -0.272 3.849 4.120 0.001 0.000 0.247 310 V C 2.515 178.476 176.094 -0.221 0.000 1.051 310 V CA 1.705 63.860 62.300 -0.242 0.000 1.036 310 V CB -0.627 31.000 31.823 -0.327 0.000 0.654 310 V HN 0.365 nan 8.190 nan 0.000 0.451 311 V N -0.348 119.406 119.914 -0.267 0.000 2.407 311 V HA -0.226 3.895 4.120 0.001 0.000 0.248 311 V C 2.361 178.389 176.094 -0.110 0.000 1.055 311 V CA 1.823 64.005 62.300 -0.197 0.000 1.049 311 V CB -0.640 31.072 31.823 -0.185 0.000 0.662 311 V HN 0.485 nan 8.190 nan 0.000 0.455 312 L N 0.999 122.184 121.223 -0.063 0.000 2.083 312 L HA -0.035 4.305 4.340 0.001 0.000 0.209 312 L C 2.423 179.318 176.870 0.042 0.000 1.083 312 L CA 2.164 57.021 54.840 0.028 0.000 0.752 312 L CB -0.931 41.171 42.059 0.072 0.000 0.899 312 L HN 0.236 nan 8.230 nan 0.000 0.433 313 A N -0.800 122.013 122.820 -0.011 0.000 2.015 313 A HA -0.170 4.151 4.320 0.001 0.000 0.219 313 A C 2.380 179.946 177.584 -0.031 0.000 1.163 313 A CA 1.324 53.362 52.037 0.002 0.000 0.646 313 A CB -0.486 18.490 19.000 -0.040 0.000 0.806 313 A HN 0.481 nan 8.150 nan 0.000 0.448 314 R N -0.461 119.990 120.500 -0.082 0.000 2.148 314 R HA -0.046 4.294 4.340 0.001 0.000 0.223 314 R C 1.685 177.890 176.300 -0.158 0.000 1.088 314 R CA 1.117 57.156 56.100 -0.102 0.000 0.985 314 R CB -0.065 30.168 30.300 -0.112 0.000 0.880 314 R HN 0.311 nan 8.270 nan 0.000 0.451 315 K N -0.029 120.222 120.400 -0.249 0.000 2.076 315 K HA 0.025 4.346 4.320 0.001 0.000 0.204 315 K C 0.205 176.337 176.600 -0.780 0.000 1.051 315 K CA 0.936 56.878 56.287 -0.575 0.000 0.949 315 K CB 0.178 32.186 32.500 -0.820 0.000 0.726 315 K HN 0.016 nan 8.250 nan 0.000 0.443 316 F N 0.969 120.926 119.950 0.012 0.000 2.460 316 F HA 0.150 4.678 4.527 0.001 0.000 0.341 316 F C 1.265 177.104 175.800 0.066 0.000 1.130 316 F CA -0.921 57.103 58.000 0.040 0.000 0.962 316 F CB 1.642 40.667 39.000 0.041 0.000 1.171 316 F HN -0.106 nan 8.300 nan 0.000 0.436 317 S N 0.603 116.438 115.700 0.226 0.000 2.507 317 S HA -0.177 4.293 4.470 0.001 0.000 0.235 317 S C 1.262 176.028 174.600 0.277 0.000 0.988 317 S CA 1.060 59.376 58.200 0.193 0.000 0.944 317 S CB -0.480 62.809 63.200 0.148 0.000 0.762 317 S HN 0.705 nan 8.310 nan 0.000 0.526 318 N N 1.112 120.013 118.700 0.335 0.000 2.383 318 N HA 0.102 4.843 4.740 0.001 0.000 0.192 318 N C -0.055 175.756 175.510 0.503 0.000 1.141 318 N CA -0.169 53.125 53.050 0.407 0.000 0.851 318 N CB -0.291 38.411 38.487 0.359 0.000 0.976 318 N HN 0.483 nan 8.380 nan 0.000 0.465 319 L N 0.728 122.158 121.223 0.345 0.000 2.313 319 L HA 0.597 4.938 4.340 0.001 0.000 0.283 319 L C -0.960 175.908 176.870 -0.003 0.000 1.013 319 L CA -0.745 54.230 54.840 0.225 0.000 0.816 319 L CB 1.699 43.860 42.059 0.170 0.000 1.236 319 L HN 0.036 nan 8.230 nan 0.000 0.419 320 M N 7.369 126.838 119.600 -0.217 0.000 2.093 320 M HA 0.500 4.981 4.480 0.001 0.000 0.297 320 M C -1.050 175.162 176.300 -0.146 0.000 0.938 320 M CA -0.694 54.334 55.300 -0.454 0.000 0.920 320 M CB 0.986 32.750 32.600 -1.393 0.000 1.517 320 M HN 0.536 nan 8.290 nan 0.000 0.427 321 I N 2.628 123.176 120.570 -0.038 0.000 2.532 321 I HA 0.762 4.932 4.170 0.001 0.000 0.292 321 I C -1.243 174.955 176.117 0.135 0.000 1.014 321 I CA -0.604 60.700 61.300 0.006 0.000 1.340 321 I CB 0.799 38.762 38.000 -0.061 0.000 1.422 321 I HN 0.770 nan 8.210 nan 0.000 0.528 322 F N 2.914 122.842 119.950 -0.036 0.000 2.613 322 F HA 0.892 5.420 4.527 0.001 0.000 0.310 322 F C 0.174 176.044 175.800 0.116 0.000 1.085 322 F CA -0.317 57.700 58.000 0.028 0.000 0.945 322 F CB 0.739 39.703 39.000 -0.060 0.000 1.298 322 F HN 1.054 nan 8.300 nan 0.000 0.455 323 G N 0.515 109.497 108.800 0.303 0.000 2.914 323 G HA2 -0.191 3.769 3.960 0.001 0.000 0.254 323 G HA3 -0.191 3.769 3.960 0.001 0.000 0.254 323 G C -1.048 173.897 174.900 0.074 0.000 1.449 323 G CA -0.393 44.858 45.100 0.251 0.000 0.925 323 G HN 1.351 nan 8.290 nan 0.000 0.555 324 C N -0.179 119.137 119.300 0.026 0.000 2.492 324 C HA 0.410 4.871 4.460 0.001 0.000 0.284 324 C C 0.170 175.245 174.990 0.143 0.000 1.082 324 C CA -0.744 58.313 59.018 0.066 0.000 1.555 324 C CB -0.614 27.146 27.740 0.035 0.000 1.798 324 C HN 0.639 nan 8.230 nan 0.000 0.413 325 W N 4.338 125.668 121.300 0.050 0.000 2.303 325 W HA 0.379 5.039 4.660 0.001 0.000 0.318 325 W C 0.788 177.457 176.519 0.250 0.000 1.362 325 W CA 0.213 57.668 57.345 0.184 0.000 1.234 325 W CB 0.117 29.708 29.460 0.219 0.000 1.248 325 W HN 0.843 nan 8.180 nan 0.000 0.546 326 W N 3.949 125.237 121.300 -0.020 0.000 2.351 326 W HA -0.454 4.206 4.660 0.001 0.000 0.308 326 W C 1.395 177.691 176.519 -0.371 0.000 1.817 326 W CA 2.317 59.408 57.345 -0.422 0.000 1.945 326 W CB -2.155 26.550 29.460 -1.258 0.000 0.927 326 W HN 0.380 nan 8.180 nan 0.000 0.458 327 F N 0.709 120.662 119.950 0.005 0.000 2.699 327 F HA -0.065 4.462 4.527 0.001 0.000 0.298 327 F C 2.323 178.103 175.800 -0.033 0.000 1.154 327 F CA 1.488 59.417 58.000 -0.118 0.000 1.457 327 F CB -0.799 37.997 39.000 -0.340 0.000 1.106 327 F HN -0.157 nan 8.300 nan 0.000 0.585 328 M N -1.271 118.411 119.600 0.136 0.000 2.492 328 M HA 0.072 4.553 4.480 0.001 0.000 0.255 328 M C 0.805 177.177 176.300 0.121 0.000 1.139 328 M CA 0.504 55.873 55.300 0.116 0.000 1.096 328 M CB -0.844 31.826 32.600 0.116 0.000 1.360 328 M HN -0.057 nan 8.290 nan 0.000 0.480 329 N N 2.835 121.628 118.700 0.154 0.000 3.115 329 N HA 0.033 4.774 4.740 0.001 0.000 0.305 329 N C -1.121 174.493 175.510 0.174 0.000 1.305 329 N CA 0.202 53.339 53.050 0.145 0.000 1.154 329 N CB -0.265 38.321 38.487 0.166 0.000 1.454 329 N HN 0.166 nan 8.380 nan 0.000 0.551 330 N N -0.088 118.696 118.700 0.140 0.000 2.258 330 N HA 0.237 4.977 4.740 0.001 0.000 0.299 330 N C -1.952 173.615 175.510 0.095 0.000 1.047 330 N CA -1.377 51.752 53.050 0.133 0.000 0.814 330 N CB 2.250 40.808 38.487 0.119 0.000 1.413 330 N HN -0.033 nan 8.380 nan 0.000 0.478 331 P HA -0.266 nan 4.420 nan 0.000 0.222 331 P C 1.187 178.516 177.300 0.049 0.000 1.159 331 P CA 1.693 64.831 63.100 0.063 0.000 0.920 331 P CB 0.522 32.248 31.700 0.042 0.000 0.793 332 E N -0.890 119.334 120.200 0.041 0.000 2.085 332 E HA -0.175 4.175 4.350 0.001 0.000 0.194 332 E C 1.806 178.423 176.600 0.029 0.000 0.994 332 E CA 1.380 57.797 56.400 0.029 0.000 0.801 332 E CB -0.803 28.910 29.700 0.021 0.000 0.743 332 E HN 0.081 nan 8.360 nan 0.000 0.453 333 I N 0.306 120.898 120.570 0.038 0.000 2.400 333 I HA -0.105 4.066 4.170 0.001 0.000 0.248 333 I C 2.364 178.503 176.117 0.037 0.000 1.109 333 I CA 0.737 62.057 61.300 0.034 0.000 1.425 333 I CB -0.937 37.089 38.000 0.044 0.000 1.094 333 I HN 0.188 nan 8.210 nan 0.000 0.425 334 I N 1.324 121.924 120.570 0.050 0.000 2.208 334 I HA -0.344 3.826 4.170 0.001 0.000 0.245 334 I C 2.379 178.524 176.117 0.047 0.000 1.097 334 I CA 1.679 63.010 61.300 0.052 0.000 1.363 334 I CB -0.497 37.541 38.000 0.064 0.000 1.051 334 I HN 0.299 nan 8.210 nan 0.000 0.413 335 N N 1.173 119.899 118.700 0.044 0.000 2.058 335 N HA -0.269 4.471 4.740 0.001 0.000 0.191 335 N C 1.868 177.392 175.510 0.022 0.000 1.037 335 N CA 1.960 55.033 53.050 0.038 0.000 0.848 335 N CB -0.157 38.351 38.487 0.034 0.000 1.021 335 N HN 0.511 nan 8.380 nan 0.000 0.422 336 E N -0.178 120.031 120.200 0.014 0.000 2.106 336 E HA -0.206 4.145 4.350 0.001 0.000 0.192 336 E C 2.003 178.596 176.600 -0.012 0.000 0.984 336 E CA 1.007 57.408 56.400 0.002 0.000 0.806 336 E CB -0.332 29.369 29.700 0.002 0.000 0.750 336 E HN 0.436 nan 8.360 nan 0.000 0.458 337 M N 0.982 120.574 119.600 -0.013 0.000 2.077 337 M HA -0.107 4.374 4.480 0.001 0.000 0.261 337 M C 2.397 178.643 176.300 -0.089 0.000 1.070 337 M CA 2.182 57.455 55.300 -0.046 0.000 1.125 337 M CB -0.359 32.225 32.600 -0.027 0.000 1.339 337 M HN 0.149 nan 8.290 nan 0.000 0.409 338 T N 0.089 114.627 114.554 -0.027 0.000 2.759 338 T HA -0.145 4.205 4.350 0.001 0.000 0.269 338 T C 1.828 176.509 174.700 -0.031 0.000 1.042 338 T CA 1.293 63.398 62.100 0.009 0.000 1.140 338 T CB -0.296 68.634 68.868 0.104 0.000 0.864 338 T HN 0.359 nan 8.240 nan 0.000 0.455 339 R N 0.309 120.795 120.500 -0.024 0.000 2.075 339 R HA 0.136 4.477 4.340 0.001 0.000 0.232 339 R C 2.632 178.892 176.300 -0.067 0.000 1.126 339 R CA 1.151 57.235 56.100 -0.028 0.000 0.963 339 R CB -0.278 30.016 30.300 -0.010 0.000 0.858 339 R HN 0.392 nan 8.270 nan 0.000 0.435 340 M N -0.187 119.363 119.600 -0.083 0.000 2.117 340 M HA -0.155 4.326 4.480 0.001 0.000 0.262 340 M C 2.199 178.382 176.300 -0.194 0.000 1.065 340 M CA 1.704 56.950 55.300 -0.090 0.000 1.114 340 M CB -0.219 32.351 32.600 -0.050 0.000 1.361 340 M HN 0.087 nan 8.290 nan 0.000 0.408 341 R N -0.049 120.250 120.500 -0.335 0.000 2.070 341 R HA -0.107 4.233 4.340 0.001 0.000 0.233 341 R C 2.234 178.254 176.300 -0.467 0.000 1.137 341 R CA 1.640 57.365 56.100 -0.625 0.000 0.945 341 R CB -0.404 29.120 30.300 -1.293 0.000 0.845 341 R HN 0.350 nan 8.270 nan 0.000 0.430 342 M N 0.904 120.362 119.600 -0.237 0.000 2.229 342 M HA -0.163 4.318 4.480 0.001 0.000 0.264 342 M C 1.546 177.825 176.300 -0.034 0.000 1.063 342 M CA 1.707 57.029 55.300 0.035 0.000 1.114 342 M CB 0.149 32.809 32.600 0.100 0.000 1.387 342 M HN 0.091 nan 8.290 nan 0.000 0.420 343 E N -0.272 119.886 120.200 -0.070 0.000 2.150 343 E HA -0.159 4.192 4.350 0.001 0.000 0.193 343 E C 1.659 178.219 176.600 -0.066 0.000 0.985 343 E CA 1.387 57.751 56.400 -0.059 0.000 0.814 343 E CB 0.029 29.701 29.700 -0.048 0.000 0.752 343 E HN 0.582 nan 8.360 nan 0.000 0.466 344 M N -0.556 118.987 119.600 -0.095 0.000 2.337 344 M HA 0.148 4.629 4.480 0.001 0.000 0.256 344 M C 0.899 177.148 176.300 -0.086 0.000 1.075 344 M CA 0.299 55.542 55.300 -0.094 0.000 1.024 344 M CB 0.899 33.423 32.600 -0.127 0.000 1.429 344 M HN 0.035 nan 8.290 nan 0.000 0.497 345 L N -1.436 119.743 121.223 -0.074 0.000 3.086 345 L HA 0.428 4.769 4.340 0.001 0.000 0.274 345 L C 1.256 178.165 176.870 0.065 0.000 1.184 345 L CA -0.101 54.732 54.840 -0.011 0.000 1.002 345 L CB 0.231 42.281 42.059 -0.015 0.000 1.383 345 L HN 0.419 nan 8.230 nan 0.000 0.582 346 G N 2.008 110.835 108.800 0.045 0.000 2.596 346 G HA2 -0.429 3.532 3.960 0.001 0.000 0.304 346 G HA3 -0.429 3.532 3.960 0.001 0.000 0.304 346 G C 0.751 175.725 174.900 0.122 0.000 1.189 346 G CA 0.873 45.998 45.100 0.042 0.000 0.986 346 G HN 0.323 nan 8.290 nan 0.000 0.548 347 T N -1.996 112.589 114.554 0.052 0.000 3.129 347 T HA 0.498 4.848 4.350 0.001 0.000 0.267 347 T C 1.356 176.023 174.700 -0.055 0.000 1.018 347 T CA 1.158 63.233 62.100 -0.042 0.000 0.903 347 T CB 0.190 69.014 68.868 -0.075 0.000 1.067 347 T HN 1.642 nan 8.240 nan 0.000 0.549 348 S N 1.723 117.477 115.700 0.091 0.000 3.456 348 S HA 0.529 4.999 4.470 0.001 0.000 0.229 348 S C -0.104 174.595 174.600 0.165 0.000 1.416 348 S CA -1.082 57.164 58.200 0.077 0.000 1.197 348 S CB -1.565 61.675 63.200 0.066 0.000 1.201 348 S HN 0.667 nan 8.310 nan 0.000 0.479 349 F N -2.110 117.795 119.950 -0.075 0.000 2.779 349 F HA 0.687 5.215 4.527 0.001 0.000 0.316 349 F C -1.618 174.140 175.800 -0.070 0.000 1.164 349 F CA -1.779 56.170 58.000 -0.084 0.000 0.924 349 F CB 0.811 39.764 39.000 -0.078 0.000 1.348 349 F HN -0.051 nan 8.300 nan 0.000 0.467 350 I N 2.948 123.555 120.570 0.062 0.000 2.388 350 I HA 0.283 4.453 4.170 0.001 0.000 0.281 350 I C -1.675 174.531 176.117 0.150 0.000 1.046 350 I CA -1.953 59.329 61.300 -0.030 0.000 1.187 350 I CB 1.690 39.745 38.000 0.091 0.000 1.351 350 I HN 0.440 nan 8.210 nan 0.000 0.472 351 P HA -0.172 nan 4.420 nan 0.000 0.218 351 P C 0.325 177.732 177.300 0.178 0.000 1.148 351 P CA 1.424 64.650 63.100 0.210 0.000 0.822 351 P CB 0.503 32.185 31.700 -0.029 0.000 0.784 352 Q N -1.374 118.532 119.800 0.177 0.000 2.575 352 Q HA 0.346 4.686 4.340 0.001 0.000 0.290 352 Q C -1.286 174.900 176.000 0.309 0.000 0.963 352 Q CA -0.777 55.119 55.803 0.155 0.000 0.783 352 Q CB 1.236 29.990 28.738 0.027 0.000 1.467 352 Q HN 0.265 nan 8.270 nan 0.000 0.402 353 H N -0.851 118.276 119.070 0.095 0.000 2.980 353 H HA 0.483 5.039 4.556 0.001 0.000 0.367 353 H C -0.503 174.732 175.328 -0.156 0.000 1.206 353 H CA -0.164 55.968 56.048 0.140 0.000 1.126 353 H CB 1.539 31.431 29.762 0.216 0.000 1.838 353 H HN 0.691 nan 8.280 nan 0.000 0.552 354 S N -0.059 115.560 115.700 -0.135 0.000 2.439 354 S HA -0.099 4.372 4.470 0.001 0.000 0.224 354 S C 0.610 175.117 174.600 -0.156 0.000 1.029 354 S CA 0.870 58.840 58.200 -0.383 0.000 0.946 354 S CB -0.260 62.730 63.200 -0.349 0.000 0.797 354 S HN 0.780 nan 8.310 nan 0.000 0.504 355 D N 1.123 121.574 120.400 0.085 0.000 3.012 355 D HA -0.149 4.492 4.640 0.001 0.000 0.222 355 D C 0.170 176.477 176.300 0.011 0.000 1.167 355 D CA 0.881 54.944 54.000 0.106 0.000 0.854 355 D CB -1.557 39.437 40.800 0.324 0.000 1.107 355 D HN 0.779 nan 8.370 nan 0.000 0.421 356 A N 0.181 122.943 122.820 -0.098 0.000 2.546 356 A HA 0.184 4.504 4.320 0.001 0.000 0.243 356 A C 1.411 178.969 177.584 -0.044 0.000 1.063 356 A CA 0.642 52.593 52.037 -0.144 0.000 0.757 356 A CB 0.367 19.288 19.000 -0.133 0.000 0.991 356 A HN 0.351 nan 8.150 nan 0.000 0.503 357 R N 1.283 121.733 120.500 -0.084 0.000 2.279 357 R HA 0.211 4.552 4.340 0.001 0.000 0.195 357 R C -0.634 175.682 176.300 0.027 0.000 0.905 357 R CA 0.313 56.439 56.100 0.044 0.000 1.044 357 R CB 0.652 31.023 30.300 0.120 0.000 1.056 357 R HN 0.528 nan 8.270 nan 0.000 0.535 358 V N 1.609 121.471 119.914 -0.087 0.000 2.487 358 V HA 0.046 4.167 4.120 0.001 0.000 0.298 358 V C 0.835 176.939 176.094 0.016 0.000 1.028 358 V CA -0.460 61.832 62.300 -0.012 0.000 0.860 358 V CB 1.918 33.693 31.823 -0.080 0.000 0.991 358 V HN 0.055 nan 8.190 nan 0.000 0.427 359 L N 4.472 125.772 121.223 0.128 0.000 1.991 359 L HA -0.208 4.133 4.340 0.001 0.000 0.221 359 L C 2.203 179.136 176.870 0.105 0.000 1.079 359 L CA 2.307 57.229 54.840 0.137 0.000 0.778 359 L CB -0.450 41.728 42.059 0.198 0.000 0.893 359 L HN 0.817 nan 8.230 nan 0.000 0.437 360 E N -0.536 119.749 120.200 0.142 0.000 2.267 360 E HA -0.233 4.117 4.350 0.001 0.000 0.197 360 E C 2.139 178.782 176.600 0.072 0.000 0.998 360 E CA 1.093 57.577 56.400 0.140 0.000 0.830 360 E CB -0.293 29.523 29.700 0.194 0.000 0.751 360 E HN 0.667 nan 8.360 nan 0.000 0.491 361 Q N -0.147 119.643 119.800 -0.016 0.000 2.291 361 Q HA -0.102 4.239 4.340 0.001 0.000 0.206 361 Q C 1.901 177.742 176.000 -0.266 0.000 0.976 361 Q CA 0.650 56.354 55.803 -0.165 0.000 0.875 361 Q CB -0.139 28.384 28.738 -0.358 0.000 0.927 361 Q HN 0.370 nan 8.270 nan 0.000 0.450 362 L N 0.202 121.377 121.223 -0.078 0.000 2.127 362 L HA -0.213 4.127 4.340 0.001 0.000 0.211 362 L C 2.165 179.095 176.870 0.100 0.000 1.089 362 L CA 0.952 55.824 54.840 0.052 0.000 0.757 362 L CB -0.422 41.717 42.059 0.133 0.000 0.899 362 L HN 0.295 nan 8.230 nan 0.000 0.434 363 I N -0.752 119.854 120.570 0.061 0.000 2.113 363 I HA -0.343 3.827 4.170 0.001 0.000 0.238 363 I C 2.674 178.838 176.117 0.078 0.000 1.070 363 I CA 1.809 63.167 61.300 0.097 0.000 1.332 363 I CB -0.557 37.496 38.000 0.088 0.000 1.044 363 I HN 0.269 nan 8.210 nan 0.000 0.402 364 Y N 1.595 121.818 120.300 -0.127 0.000 2.220 364 Y HA -0.058 4.492 4.550 0.001 0.000 0.291 364 Y C 2.325 177.938 175.900 -0.478 0.000 1.129 364 Y CA 0.829 58.697 58.100 -0.386 0.000 1.161 364 Y CB -0.646 37.527 38.460 -0.479 0.000 0.997 364 Y HN -0.132 nan 8.280 nan 0.000 0.522 365 K N 0.548 120.358 120.400 -0.984 0.000 2.020 365 K HA -0.235 4.086 4.320 0.001 0.000 0.212 365 K C 1.809 178.064 176.600 -0.575 0.000 1.050 365 K CA 2.304 58.045 56.287 -0.909 0.000 0.929 365 K CB -1.216 30.699 32.500 -0.975 0.000 0.714 365 K HN 0.581 nan 8.250 nan 0.000 0.443 366 W N 0.350 121.576 121.300 -0.123 0.000 2.418 366 W HA -0.096 4.565 4.660 0.001 0.000 0.292 366 W C 2.453 179.002 176.519 0.049 0.000 1.213 366 W CA 0.807 58.140 57.345 -0.020 0.000 1.283 366 W CB -0.440 28.990 29.460 -0.050 0.000 1.119 366 W HN 0.361 nan 8.180 nan 0.000 0.542 367 H N -0.393 118.782 119.070 0.175 0.000 2.326 367 H HA -0.156 4.401 4.556 0.001 0.000 0.301 367 H C 1.842 177.335 175.328 0.275 0.000 1.081 367 H CA 2.316 58.483 56.048 0.198 0.000 1.334 367 H CB -0.539 29.336 29.762 0.188 0.000 1.385 367 H HN 0.310 nan 8.280 nan 0.000 0.504 368 H N -0.676 118.577 119.070 0.306 0.000 2.353 368 H HA -0.074 4.483 4.556 0.001 0.000 0.300 368 H C 2.534 177.931 175.328 0.115 0.000 1.090 368 H CA 0.995 57.179 56.048 0.226 0.000 1.327 368 H CB 0.397 30.301 29.762 0.237 0.000 1.383 368 H HN 0.262 nan 8.280 nan 0.000 0.508 369 S N 0.343 116.166 115.700 0.206 0.000 2.371 369 S HA -0.072 4.399 4.470 0.001 0.000 0.224 369 S C 1.927 176.664 174.600 0.229 0.000 1.029 369 S CA 0.718 59.010 58.200 0.153 0.000 0.978 369 S CB 0.068 63.279 63.200 0.019 0.000 0.833 369 S HN 0.335 nan 8.310 nan 0.000 0.466 370 K N 1.515 122.069 120.400 0.256 0.000 2.103 370 K HA -0.110 4.211 4.320 0.001 0.000 0.207 370 K C 2.531 179.207 176.600 0.127 0.000 1.048 370 K CA 1.617 58.040 56.287 0.226 0.000 0.930 370 K CB -0.327 32.210 32.500 0.062 0.000 0.716 370 K HN 0.482 nan 8.250 nan 0.000 0.444 371 S N 1.105 116.830 115.700 0.042 0.000 2.382 371 S HA -0.135 4.335 4.470 0.001 0.000 0.228 371 S C 2.013 176.658 174.600 0.076 0.000 1.027 371 S CA 1.002 59.215 58.200 0.021 0.000 0.991 371 S CB -0.507 62.684 63.200 -0.016 0.000 0.823 371 S HN 0.214 nan 8.310 nan 0.000 0.469 372 I N 1.198 121.829 120.570 0.103 0.000 2.286 372 I HA -0.047 4.124 4.170 0.001 0.000 0.245 372 I C 2.333 178.520 176.117 0.118 0.000 1.104 372 I CA 1.113 62.473 61.300 0.100 0.000 1.397 372 I CB -0.358 37.701 38.000 0.099 0.000 1.072 372 I HN 0.271 nan 8.210 nan 0.000 0.417 373 I N 0.911 121.580 120.570 0.165 0.000 2.394 373 I HA -0.236 3.934 4.170 0.001 0.000 0.251 373 I C 2.785 179.002 176.117 0.166 0.000 1.136 373 I CA 1.121 62.528 61.300 0.178 0.000 1.425 373 I CB -0.451 37.710 38.000 0.268 0.000 1.079 373 I HN 0.157 nan 8.210 nan 0.000 0.425 374 A N 0.673 123.596 122.820 0.171 0.000 1.902 374 A HA -0.218 4.103 4.320 0.001 0.000 0.217 374 A C 2.217 179.871 177.584 0.118 0.000 1.181 374 A CA 1.634 53.761 52.037 0.149 0.000 0.623 374 A CB -0.541 18.528 19.000 0.114 0.000 0.818 374 A HN 0.425 nan 8.150 nan 0.000 0.443 375 E N -0.389 119.868 120.200 0.095 0.000 2.058 375 E HA -0.145 4.205 4.350 0.001 0.000 0.194 375 E C 1.990 178.631 176.600 0.069 0.000 0.997 375 E CA 1.441 57.887 56.400 0.077 0.000 0.801 375 E CB -0.297 29.442 29.700 0.064 0.000 0.746 375 E HN 0.403 nan 8.360 nan 0.000 0.450 376 V N 1.418 121.371 119.914 0.065 0.000 2.358 376 V HA -0.246 3.875 4.120 0.001 0.000 0.246 376 V C 2.313 178.414 176.094 0.012 0.000 1.047 376 V CA 1.402 63.726 62.300 0.041 0.000 1.035 376 V CB -0.437 31.416 31.823 0.050 0.000 0.658 376 V HN 0.254 nan 8.190 nan 0.000 0.452 377 L N -0.659 120.577 121.223 0.022 0.000 2.017 377 L HA -0.199 4.142 4.340 0.001 0.000 0.208 377 L C 2.400 179.296 176.870 0.043 0.000 1.073 377 L CA 1.772 56.580 54.840 -0.054 0.000 0.745 377 L CB -0.526 41.576 42.059 0.072 0.000 0.894 377 L HN 0.254 nan 8.230 nan 0.000 0.432 378 I N -0.131 120.531 120.570 0.153 0.000 2.151 378 I HA -0.355 3.816 4.170 0.001 0.000 0.243 378 I C 2.188 178.387 176.117 0.136 0.000 1.080 378 I CA 1.441 62.855 61.300 0.190 0.000 1.339 378 I CB -0.474 37.607 38.000 0.134 0.000 1.039 378 I HN 0.309 nan 8.210 nan 0.000 0.409 379 D N 0.811 121.255 120.400 0.075 0.000 2.123 379 D HA -0.174 4.466 4.640 0.001 0.000 0.196 379 D C 2.183 178.503 176.300 0.033 0.000 0.992 379 D CA 1.338 55.368 54.000 0.051 0.000 0.833 379 D CB -0.158 40.661 40.800 0.031 0.000 0.954 379 D HN 0.135 nan 8.370 nan 0.000 0.455 380 K N -0.253 120.134 120.400 -0.022 0.000 2.097 380 K HA -0.070 4.251 4.320 0.001 0.000 0.205 380 K C 2.039 178.620 176.600 -0.032 0.000 1.050 380 K CA 0.626 56.868 56.287 -0.075 0.000 0.938 380 K CB -0.600 31.797 32.500 -0.172 0.000 0.718 380 K HN 0.215 nan 8.250 nan 0.000 0.442 381 Y N 0.880 121.206 120.300 0.043 0.000 2.242 381 Y HA -0.172 4.379 4.550 0.001 0.000 0.291 381 Y C 2.060 178.002 175.900 0.070 0.000 1.137 381 Y CA 1.307 59.444 58.100 0.062 0.000 1.181 381 Y CB -0.653 37.853 38.460 0.076 0.000 0.989 381 Y HN 0.183 nan 8.280 nan 0.000 0.527 382 D N -0.368 120.164 120.400 0.220 0.000 2.144 382 D HA -0.162 4.479 4.640 0.001 0.000 0.199 382 D C 1.603 177.971 176.300 0.112 0.000 0.984 382 D CA 1.465 55.552 54.000 0.146 0.000 0.834 382 D CB -0.060 40.805 40.800 0.109 0.000 0.955 382 D HN 0.143 nan 8.370 nan 0.000 0.465 383 D N -0.172 120.279 120.400 0.085 0.000 2.117 383 D HA -0.125 4.516 4.640 0.001 0.000 0.197 383 D C 2.200 178.542 176.300 0.070 0.000 0.987 383 D CA 1.054 55.089 54.000 0.058 0.000 0.829 383 D CB -0.316 40.500 40.800 0.026 0.000 0.961 383 D HN 0.553 nan 8.370 nan 0.000 0.460 384 I N -1.323 119.299 120.570 0.087 0.000 2.500 384 I HA -0.079 4.091 4.170 0.001 0.000 0.252 384 I C 2.263 178.497 176.117 0.195 0.000 1.142 384 I CA 0.499 61.862 61.300 0.104 0.000 1.451 384 I CB -0.371 37.644 38.000 0.024 0.000 1.093 384 I HN -0.096 nan 8.210 nan 0.000 0.430 385 L N 1.613 122.956 121.223 0.199 0.000 2.042 385 L HA -0.207 4.134 4.340 0.001 0.000 0.210 385 L C 2.581 179.529 176.870 0.130 0.000 1.076 385 L CA 1.908 56.856 54.840 0.180 0.000 0.749 385 L CB -0.897 41.249 42.059 0.144 0.000 0.893 385 L HN 0.241 nan 8.230 nan 0.000 0.432 386 Q N -0.051 119.812 119.800 0.105 0.000 2.226 386 Q HA -0.052 4.288 4.340 0.001 0.000 0.204 386 Q C 2.190 178.238 176.000 0.079 0.000 0.975 386 Q CA 1.465 57.315 55.803 0.078 0.000 0.866 386 Q CB -0.613 28.162 28.738 0.062 0.000 0.915 386 Q HN 0.707 nan 8.270 nan 0.000 0.440 387 A N -0.558 122.321 122.820 0.099 0.000 2.208 387 A HA 0.323 4.643 4.320 0.001 0.000 0.209 387 A C 1.545 179.204 177.584 0.125 0.000 1.161 387 A CA 1.211 53.308 52.037 0.100 0.000 0.782 387 A CB -0.018 19.041 19.000 0.097 0.000 0.816 387 A HN 0.430 nan 8.150 nan 0.000 0.477 388 G N -3.028 105.856 108.800 0.140 0.000 2.211 388 G HA2 -0.213 3.748 3.960 0.001 0.000 0.201 388 G HA3 -0.213 3.748 3.960 0.001 0.000 0.201 388 G C -0.006 174.991 174.900 0.161 0.000 0.997 388 G CA -0.058 45.116 45.100 0.123 0.000 0.652 388 G HN 0.566 nan 8.290 nan 0.000 0.500 389 W N 2.555 123.874 121.300 0.033 0.000 2.266 389 W HA 0.605 5.266 4.660 0.001 0.000 0.317 389 W C -0.541 175.998 176.519 0.034 0.000 1.310 389 W CA 0.297 57.664 57.345 0.036 0.000 1.207 389 W CB 0.568 30.058 29.460 0.050 0.000 1.199 389 W HN 0.207 nan 8.180 nan 0.000 0.544 390 E N 4.942 124.986 120.200 -0.261 0.000 2.185 390 E HA 0.200 4.551 4.350 0.001 0.000 0.261 390 E C -0.171 176.310 176.600 -0.199 0.000 0.879 390 E CA -0.618 55.703 56.400 -0.132 0.000 0.756 390 E CB 2.237 31.855 29.700 -0.137 0.000 1.152 390 E HN 0.332 nan 8.360 nan 0.000 0.416 391 V N 0.744 120.673 119.914 0.024 0.000 2.904 391 V HA 0.554 4.674 4.120 0.001 0.000 0.305 391 V C 0.348 176.410 176.094 -0.053 0.000 1.067 391 V CA -0.443 61.883 62.300 0.044 0.000 1.044 391 V CB 1.359 33.207 31.823 0.042 0.000 1.050 391 V HN 0.725 nan 8.190 nan 0.000 0.475 392 T N -0.664 113.866 114.554 -0.041 0.000 2.943 392 T HA 0.412 4.763 4.350 0.001 0.000 0.284 392 T C 0.766 175.432 174.700 -0.058 0.000 1.015 392 T CA 0.255 62.325 62.100 -0.050 0.000 1.042 392 T CB 1.586 70.434 68.868 -0.034 0.000 1.055 392 T HN 0.968 nan 8.240 nan 0.000 0.500 393 E N 0.056 120.226 120.200 -0.052 0.000 2.204 393 E HA -0.206 4.144 4.350 0.001 0.000 0.195 393 E C 1.740 178.325 176.600 -0.026 0.000 0.990 393 E CA 1.201 57.572 56.400 -0.049 0.000 0.821 393 E CB -0.012 29.668 29.700 -0.034 0.000 0.750 393 E HN 0.772 nan 8.360 nan 0.000 0.477 394 E N 0.788 120.981 120.200 -0.012 0.000 2.107 394 E HA -0.158 4.192 4.350 0.001 0.000 0.191 394 E C 1.587 178.202 176.600 0.025 0.000 0.982 394 E CA 1.368 57.772 56.400 0.007 0.000 0.809 394 E CB 0.082 29.786 29.700 0.008 0.000 0.756 394 E HN 0.379 nan 8.360 nan 0.000 0.459 395 E N -0.118 120.098 120.200 0.027 0.000 2.150 395 E HA -0.132 4.218 4.350 0.001 0.000 0.193 395 E C 2.136 178.782 176.600 0.077 0.000 0.985 395 E CA 0.966 57.407 56.400 0.067 0.000 0.814 395 E CB -0.096 29.664 29.700 0.099 0.000 0.752 395 E HN 0.365 nan 8.360 nan 0.000 0.466 396 I N 1.324 121.898 120.570 0.007 0.000 2.202 396 I HA -0.269 3.902 4.170 0.001 0.000 0.242 396 I C 2.235 178.406 176.117 0.091 0.000 1.091 396 I CA 1.227 62.536 61.300 0.014 0.000 1.368 396 I CB -0.180 37.741 38.000 -0.131 0.000 1.058 396 I HN 0.008 nan 8.210 nan 0.000 0.410 397 K N 0.290 120.723 120.400 0.055 0.000 2.147 397 K HA -0.199 4.122 4.320 0.001 0.000 0.205 397 K C 2.242 178.889 176.600 0.079 0.000 1.049 397 K CA 1.005 57.331 56.287 0.063 0.000 0.936 397 K CB -0.188 32.334 32.500 0.036 0.000 0.722 397 K HN 0.262 nan 8.250 nan 0.000 0.446 398 R N 1.320 121.866 120.500 0.078 0.000 2.062 398 R HA -0.151 4.190 4.340 0.001 0.000 0.231 398 R C 1.332 177.687 176.300 0.092 0.000 1.136 398 R CA 1.944 58.091 56.100 0.079 0.000 0.948 398 R CB -0.095 30.251 30.300 0.076 0.000 0.845 398 R HN 0.105 nan 8.270 nan 0.000 0.430 399 D N 0.235 120.707 120.400 0.120 0.000 2.097 399 D HA -0.138 4.502 4.640 0.001 0.000 0.195 399 D C 2.022 178.378 176.300 0.093 0.000 0.989 399 D CA 1.278 55.347 54.000 0.115 0.000 0.827 399 D CB -0.305 40.617 40.800 0.203 0.000 0.966 399 D HN 0.113 nan 8.370 nan 0.000 0.456 400 V N 1.548 121.554 119.914 0.153 0.000 2.343 400 V HA -0.240 3.881 4.120 0.001 0.000 0.247 400 V C 2.548 178.773 176.094 0.220 0.000 1.051 400 V CA 1.788 64.216 62.300 0.213 0.000 1.036 400 V CB -0.791 31.178 31.823 0.243 0.000 0.654 400 V HN 0.191 nan 8.190 nan 0.000 0.451 401 A N -0.348 122.561 122.820 0.148 0.000 1.933 401 A HA -0.246 4.074 4.320 0.001 0.000 0.218 401 A C 2.021 179.667 177.584 0.103 0.000 1.175 401 A CA 1.955 54.070 52.037 0.131 0.000 0.628 401 A CB -0.588 18.469 19.000 0.094 0.000 0.814 401 A HN 0.522 nan 8.150 nan 0.000 0.444 402 D N 0.102 120.536 120.400 0.057 0.000 2.097 402 D HA -0.123 4.518 4.640 0.001 0.000 0.195 402 D C 1.976 178.234 176.300 -0.070 0.000 0.989 402 D CA 1.170 55.177 54.000 0.011 0.000 0.827 402 D CB -0.317 40.476 40.800 -0.011 0.000 0.966 402 D HN 0.458 nan 8.370 nan 0.000 0.456 403 L N -0.722 120.401 121.223 -0.167 0.000 2.027 403 L HA -0.129 4.212 4.340 0.001 0.000 0.206 403 L C 2.034 178.653 176.870 -0.417 0.000 1.074 403 L CA 0.878 55.469 54.840 -0.414 0.000 0.745 403 L CB -0.317 41.373 42.059 -0.615 0.000 0.898 403 L HN -0.026 nan 8.230 nan 0.000 0.433 404 F N -1.973 117.943 119.950 -0.057 0.000 2.765 404 F HA 0.032 4.560 4.527 0.001 0.000 0.302 404 F C 2.051 177.803 175.800 -0.080 0.000 1.111 404 F CA 0.628 58.581 58.000 -0.078 0.000 1.359 404 F CB 0.390 39.320 39.000 -0.116 0.000 1.097 404 F HN 0.022 nan 8.300 nan 0.000 0.577 405 S N -1.146 114.630 115.700 0.126 0.000 3.897 405 S HA 0.088 4.558 4.470 0.001 0.000 0.214 405 S C 1.756 176.503 174.600 0.246 0.000 1.102 405 S CA -0.195 58.111 58.200 0.176 0.000 1.116 405 S CB -0.368 62.969 63.200 0.228 0.000 1.288 405 S HN 0.063 nan 8.310 nan 0.000 0.458 406 R N 1.519 122.143 120.500 0.207 0.000 2.096 406 R HA 0.062 4.402 4.340 0.001 0.000 0.235 406 R C 1.667 178.060 176.300 0.155 0.000 1.127 406 R CA 1.782 58.005 56.100 0.206 0.000 0.968 406 R CB -0.416 29.965 30.300 0.134 0.000 0.861 406 R HN 0.409 nan 8.270 nan 0.000 0.440 407 N N 0.414 119.164 118.700 0.085 0.000 2.166 407 N HA -0.178 4.563 4.740 0.001 0.000 0.186 407 N C 1.402 176.967 175.510 0.091 0.000 1.019 407 N CA 1.088 54.172 53.050 0.056 0.000 0.856 407 N CB -0.301 38.169 38.487 -0.029 0.000 0.993 407 N HN 0.130 nan 8.380 nan 0.000 0.426 408 F N -0.118 119.774 119.950 -0.097 0.000 2.084 408 F HA -0.070 4.457 4.527 0.001 0.000 0.296 408 F C 1.890 177.598 175.800 -0.153 0.000 1.111 408 F CA 1.245 59.122 58.000 -0.205 0.000 1.224 408 F CB -0.653 38.074 39.000 -0.455 0.000 0.991 408 F HN 0.019 nan 8.300 nan 0.000 0.471 409 W N 0.580 121.836 121.300 -0.073 0.000 2.363 409 W HA -0.108 4.553 4.660 0.001 0.000 0.296 409 W C 2.781 179.212 176.519 -0.147 0.000 1.212 409 W CA 1.259 58.491 57.345 -0.188 0.000 1.260 409 W CB -0.482 28.957 29.460 -0.036 0.000 1.131 409 W HN -0.072 nan 8.180 nan 0.000 0.530 410 R N -0.269 120.330 120.500 0.165 0.000 2.092 410 R HA -0.192 4.149 4.340 0.001 0.000 0.231 410 R C 2.140 178.483 176.300 0.071 0.000 1.119 410 R CA 1.654 57.819 56.100 0.109 0.000 0.970 410 R CB -0.785 29.585 30.300 0.117 0.000 0.864 410 R HN 0.156 nan 8.270 nan 0.000 0.440 411 F N 0.973 120.857 119.950 -0.110 0.000 2.113 411 F HA -0.154 4.373 4.527 0.001 0.000 0.297 411 F C 1.990 177.679 175.800 -0.186 0.000 1.103 411 F CA 1.658 59.578 58.000 -0.134 0.000 1.248 411 F CB -0.329 38.584 39.000 -0.145 0.000 0.999 411 F HN -0.047 nan 8.300 nan 0.000 0.475 412 V N -1.302 118.428 119.914 -0.307 0.000 2.970 412 V HA 0.241 4.362 4.120 0.001 0.000 0.260 412 V C 1.478 177.450 176.094 -0.202 0.000 1.100 412 V CA 0.777 62.866 62.300 -0.352 0.000 1.122 412 V CB -1.300 30.237 31.823 -0.476 0.000 0.721 412 V HN 0.757 nan 8.190 nan 0.000 0.483 413 G N 0.461 109.186 108.800 -0.124 0.000 2.291 413 G HA2 -0.216 3.745 3.960 0.001 0.000 0.271 413 G HA3 -0.216 3.745 3.960 0.001 0.000 0.271 413 G C -0.020 174.880 174.900 0.001 0.000 1.099 413 G CA 0.391 45.455 45.100 -0.059 0.000 0.919 413 G HN 0.753 nan 8.290 nan 0.000 0.496 414 R N 0.000 120.545 120.500 0.075 0.000 2.786 414 R HA 0.000 4.341 4.340 0.001 0.000 0.208 414 R CA 0.000 56.145 56.100 0.075 0.000 0.921 414 R CB 0.000 30.421 30.300 0.202 0.000 0.687 414 R HN 0.000 nan 8.270 nan 0.000 0.535