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 2q6e_1_A 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 VG 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 0.000 174.588 174.600 -0.021 0.000 1.055 2 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 2 S CB 0.000 63.176 63.200 -0.040 0.000 0.593 3 I N 3.422 123.978 120.570 -0.023 0.000 2.297 3 I HA 0.433 4.603 4.170 0.001 0.000 0.291 3 I C -0.292 175.826 176.117 0.002 0.000 1.033 3 I CA -0.469 60.823 61.300 -0.013 0.000 1.253 3 I CB 0.600 38.584 38.000 -0.027 0.000 1.396 3 I HN 0.689 nan 8.210 nan 0.000 0.476 4 N N 3.965 122.671 118.700 0.009 0.000 2.545 4 N HA 0.103 4.843 4.740 0.001 0.000 0.283 4 N C -0.698 174.826 175.510 0.025 0.000 1.596 4 N CA -0.275 52.787 53.050 0.019 0.000 0.862 4 N CB 1.237 39.731 38.487 0.010 0.000 1.422 4 N HN 0.449 nan 8.380 nan 0.000 0.489 5 S N -0.165 115.552 115.700 0.028 0.000 2.543 5 S HA 0.347 4.818 4.470 0.001 0.000 0.273 5 S C 0.582 175.205 174.600 0.038 0.000 1.152 5 S CA -0.618 57.601 58.200 0.031 0.000 0.910 5 S CB 2.234 65.448 63.200 0.023 0.000 1.105 5 S HN 0.293 nan 8.310 nan 0.000 0.465 6 R N 1.940 122.467 120.500 0.045 0.000 2.083 6 R HA -0.119 4.222 4.340 0.001 0.000 0.237 6 R C 1.332 177.661 176.300 0.048 0.000 1.137 6 R CA 2.448 58.580 56.100 0.054 0.000 0.951 6 R CB -0.284 30.049 30.300 0.054 0.000 0.851 6 R HN 0.739 nan 8.270 nan 0.000 0.434 7 E N -0.303 119.920 120.200 0.038 0.000 2.070 7 E HA -0.183 4.167 4.350 0.001 0.000 0.197 7 E C 1.933 178.550 176.600 0.029 0.000 1.004 7 E CA 1.649 58.069 56.400 0.033 0.000 0.805 7 E CB -0.238 29.478 29.700 0.027 0.000 0.744 7 E HN 0.127 nan 8.360 nan 0.000 0.451 8 V N 0.693 120.621 119.914 0.024 0.000 2.295 8 V HA -0.239 3.882 4.120 0.001 0.000 0.246 8 V C 2.229 178.333 176.094 0.016 0.000 1.049 8 V CA 1.608 63.918 62.300 0.016 0.000 1.024 8 V CB -0.523 31.306 31.823 0.010 0.000 0.648 8 V HN 0.218 nan 8.190 nan 0.000 0.447 9 L N 1.007 122.244 121.223 0.024 0.000 1.989 9 L HA -0.123 4.217 4.340 0.001 0.000 0.211 9 L C 2.509 179.406 176.870 0.045 0.000 1.071 9 L CA 2.459 57.314 54.840 0.026 0.000 0.749 9 L CB -1.074 41.018 42.059 0.054 0.000 0.890 9 L HN 0.231 nan 8.230 nan 0.000 0.431 10 A N -0.936 121.919 122.820 0.059 0.000 1.948 10 A HA -0.316 4.005 4.320 0.001 0.000 0.220 10 A C 2.348 179.963 177.584 0.052 0.000 1.177 10 A CA 2.119 54.196 52.037 0.066 0.000 0.636 10 A CB -0.790 18.245 19.000 0.059 0.000 0.815 10 A HN 0.679 nan 8.150 nan 0.000 0.449 11 E N -0.530 119.691 120.200 0.035 0.000 2.046 11 E HA -0.194 4.156 4.350 0.001 0.000 0.190 11 E C 1.768 178.380 176.600 0.019 0.000 0.982 11 E CA 1.076 57.491 56.400 0.025 0.000 0.800 11 E CB -0.054 29.656 29.700 0.018 0.000 0.756 11 E HN 0.350 nan 8.360 nan 0.000 0.449 12 K N 0.458 120.864 120.400 0.010 0.000 2.057 12 K HA -0.100 4.221 4.320 0.001 0.000 0.207 12 K C 2.237 178.842 176.600 0.010 0.000 1.049 12 K CA 0.904 57.189 56.287 -0.003 0.000 0.931 12 K CB -0.612 31.871 32.500 -0.029 0.000 0.714 12 K HN 0.128 nan 8.250 nan 0.000 0.440 13 V N 1.844 121.780 119.914 0.036 0.000 2.270 13 V HA -0.233 3.888 4.120 0.001 0.000 0.245 13 V C 2.300 178.441 176.094 0.079 0.000 1.043 13 V CA 1.715 64.068 62.300 0.089 0.000 1.014 13 V CB -0.432 31.491 31.823 0.167 0.000 0.645 13 V HN 0.321 nan 8.190 nan 0.000 0.447 14 K N 0.349 120.786 120.400 0.062 0.000 2.074 14 K HA -0.229 4.092 4.320 0.001 0.000 0.209 14 K C 1.954 178.558 176.600 0.007 0.000 1.048 14 K CA 2.102 58.412 56.287 0.038 0.000 0.926 14 K CB -0.427 32.093 32.500 0.033 0.000 0.713 14 K HN 0.593 nan 8.250 nan 0.000 0.444 15 N N 0.494 119.197 118.700 0.005 0.000 2.058 15 N HA -0.169 4.572 4.740 0.001 0.000 0.191 15 N C 1.975 177.473 175.510 -0.021 0.000 1.037 15 N CA 0.883 53.926 53.050 -0.011 0.000 0.848 15 N CB -0.182 38.301 38.487 -0.007 0.000 1.021 15 N HN 0.186 nan 8.380 nan 0.000 0.422 16 A N 0.990 123.809 122.820 -0.002 0.000 1.917 16 A HA -0.138 4.182 4.320 0.001 0.000 0.219 16 A C 2.434 180.000 177.584 -0.030 0.000 1.182 16 A CA 1.404 53.443 52.037 0.002 0.000 0.633 16 A CB -0.876 18.149 19.000 0.041 0.000 0.819 16 A HN 0.121 nan 8.150 nan 0.000 0.448 17 V N 0.834 120.731 119.914 -0.027 0.000 2.307 17 V HA -0.235 3.885 4.120 0.001 0.000 0.245 17 V C 2.287 178.234 176.094 -0.245 0.000 1.045 17 V CA 2.059 64.278 62.300 -0.134 0.000 1.024 17 V CB -0.909 30.895 31.823 -0.030 0.000 0.651 17 V HN 0.563 nan 8.190 nan 0.000 0.449 18 N N 0.821 119.432 118.700 -0.148 0.000 2.188 18 N HA -0.121 4.620 4.740 0.001 0.000 0.184 18 N C 1.591 177.011 175.510 -0.150 0.000 1.018 18 N CA 1.293 54.252 53.050 -0.152 0.000 0.858 18 N CB -0.416 38.012 38.487 -0.098 0.000 0.989 18 N HN 0.500 nan 8.380 nan 0.000 0.426 19 N N 0.918 119.547 118.700 -0.117 0.000 2.354 19 N HA -0.084 4.657 4.740 0.001 0.000 0.179 19 N C 0.580 176.018 175.510 -0.120 0.000 1.021 19 N CA 0.245 53.236 53.050 -0.098 0.000 0.887 19 N CB -0.226 38.225 38.487 -0.060 0.000 0.974 19 N HN 0.283 nan 8.380 nan 0.000 0.437 20 Q N 2.583 122.290 119.800 -0.154 0.000 2.247 20 Q HA 0.126 4.466 4.340 0.001 0.000 0.288 20 Q C -2.577 173.300 176.000 -0.205 0.000 1.079 20 Q CA -1.206 54.506 55.803 -0.152 0.000 0.932 20 Q CB 0.620 29.264 28.738 -0.157 0.000 1.133 20 Q HN 0.036 nan 8.270 nan 0.000 0.377 21 P HA 0.041 nan 4.420 nan 0.000 0.271 21 P C -1.148 176.044 177.300 -0.181 0.000 1.226 21 P CA -0.157 62.852 63.100 -0.152 0.000 0.765 21 P CB 0.867 32.516 31.700 -0.086 0.000 0.835 22 V N 4.213 123.937 119.914 -0.315 0.000 2.509 22 V HA 0.253 4.373 4.120 0.001 0.000 0.284 22 V C 0.597 176.502 176.094 -0.315 0.000 1.047 22 V CA 0.050 62.092 62.300 -0.430 0.000 0.952 22 V CB 1.400 32.626 31.823 -0.996 0.000 0.988 22 V HN 0.453 nan 8.190 nan 0.000 0.469 23 T N 3.442 117.883 114.554 -0.188 0.000 2.770 23 T HA 0.182 4.532 4.350 0.001 0.000 0.297 23 T C -0.298 174.275 174.700 -0.212 0.000 0.997 23 T CA -0.196 61.841 62.100 -0.105 0.000 0.949 23 T CB 0.366 69.268 68.868 0.058 0.000 0.941 23 T HN 0.690 nan 8.240 nan 0.000 0.457 24 D N 4.478 124.780 120.400 -0.165 0.000 2.441 24 D HA 0.142 4.783 4.640 0.001 0.000 0.221 24 D C 1.154 177.340 176.300 -0.190 0.000 1.156 24 D CA -0.599 53.431 54.000 0.050 0.000 0.896 24 D CB 0.881 41.798 40.800 0.195 0.000 1.028 24 D HN 0.436 nan 8.370 nan 0.000 0.509 25 M N 2.205 121.560 119.600 -0.408 0.000 2.722 25 M HA 0.157 4.638 4.480 0.001 0.000 0.238 25 M C -0.239 175.837 176.300 -0.374 0.000 1.098 25 M CA 0.448 55.253 55.300 -0.825 0.000 1.062 25 M CB -0.359 31.172 32.600 -1.783 0.000 1.573 25 M HN 0.239 nan 8.290 nan 0.000 0.531 26 H N -0.408 118.513 119.070 -0.249 0.000 3.184 26 H HA 0.555 5.112 4.556 0.001 0.000 0.317 26 H C -1.254 174.030 175.328 -0.074 0.000 1.065 26 H CA -0.219 55.717 56.048 -0.187 0.000 1.462 26 H CB 0.806 30.372 29.762 -0.327 0.000 2.037 26 H HN 0.364 nan 8.280 nan 0.000 0.431 27 T N 1.262 115.368 114.554 -0.748 0.000 2.754 27 T HA 0.310 4.661 4.350 0.001 0.000 0.296 27 T C -0.669 173.539 174.700 -0.821 0.000 1.205 27 T CA -0.870 60.856 62.100 -0.623 0.000 1.009 27 T CB 1.613 70.327 68.868 -0.257 0.000 1.368 27 T HN 0.677 nan 8.240 nan 0.000 0.509 28 H N 0.562 119.450 119.070 -0.304 0.000 2.481 28 H HA 0.455 5.011 4.556 0.001 0.000 0.273 28 H C -0.244 174.874 175.328 -0.350 0.000 1.145 28 H CA -0.166 55.708 56.048 -0.290 0.000 0.964 28 H CB 0.045 29.748 29.762 -0.097 0.000 1.722 28 H HN 0.327 nan 8.280 nan 0.000 0.573 29 L N 0.080 121.110 121.223 -0.322 0.000 2.365 29 L HA 0.472 4.812 4.340 0.001 0.000 0.267 29 L C -0.529 176.046 176.870 -0.491 0.000 1.033 29 L CA -0.752 53.981 54.840 -0.177 0.000 0.802 29 L CB 1.169 43.274 42.059 0.077 0.000 1.267 29 L HN -0.070 nan 8.230 nan 0.000 0.457 30 F N -1.168 118.747 119.950 -0.058 0.000 2.599 30 F HA 0.281 4.808 4.527 0.001 0.000 0.311 30 F C 0.425 175.744 175.800 -0.802 0.000 1.076 30 F CA -0.705 57.072 58.000 -0.372 0.000 0.937 30 F CB 1.982 40.770 39.000 -0.353 0.000 1.282 30 F HN 0.252 nan 8.300 nan 0.000 0.460 31 S N 3.945 119.083 115.700 -0.937 0.000 2.544 31 S HA 0.068 4.538 4.470 0.001 0.000 0.290 31 S C -1.177 173.175 174.600 -0.413 0.000 1.276 31 S CA -1.093 56.407 58.200 -1.166 0.000 1.075 31 S CB 0.589 63.523 63.200 -0.442 0.000 0.849 31 S HN 0.437 nan 8.310 nan 0.000 0.494 32 P HA -0.212 nan 4.420 nan 0.000 0.217 32 P C 0.923 178.204 177.300 -0.033 0.000 1.148 32 P CA 1.237 64.258 63.100 -0.133 0.000 0.834 32 P CB -0.274 31.347 31.700 -0.131 0.000 0.783 33 N N -0.707 117.980 118.700 -0.022 0.000 2.609 33 N HA -0.123 4.617 4.740 0.001 0.000 0.190 33 N C 1.085 176.550 175.510 -0.076 0.000 1.157 33 N CA 0.515 53.538 53.050 -0.044 0.000 0.918 33 N CB -1.042 37.397 38.487 -0.080 0.000 0.978 33 N HN 0.140 nan 8.380 nan 0.000 0.448 34 F N 0.648 120.485 119.950 -0.189 0.000 2.789 34 F HA 0.273 4.801 4.527 0.001 0.000 0.300 34 F C 2.034 177.731 175.800 -0.172 0.000 1.132 34 F CA 0.550 58.422 58.000 -0.214 0.000 1.404 34 F CB -0.103 38.748 39.000 -0.248 0.000 1.114 34 F HN 0.304 nan 8.300 nan 0.000 0.584 35 G N 0.252 109.075 108.800 0.038 0.000 2.488 35 G HA2 -0.283 3.678 3.960 0.001 0.000 0.237 35 G HA3 -0.283 3.678 3.960 0.001 0.000 0.237 35 G C 0.989 175.923 174.900 0.057 0.000 1.209 35 G CA 0.083 45.197 45.100 0.024 0.000 0.929 35 G HN 0.086 nan 8.290 nan 0.000 0.578 36 E N 0.671 120.894 120.200 0.038 0.000 2.108 36 E HA -0.258 4.093 4.350 0.001 0.000 0.203 36 E C 2.669 179.302 176.600 0.055 0.000 1.022 36 E CA 2.108 58.539 56.400 0.051 0.000 0.823 36 E CB -0.534 29.178 29.700 0.019 0.000 0.744 36 E HN 0.940 nan 8.360 nan 0.000 0.456 37 I N -0.262 120.293 120.570 -0.025 0.000 2.381 37 I HA -0.202 3.968 4.170 0.001 0.000 0.255 37 I C 1.343 177.555 176.117 0.159 0.000 1.140 37 I CA 0.462 61.720 61.300 -0.069 0.000 1.404 37 I CB -0.656 37.015 38.000 -0.549 0.000 1.075 37 I HN -0.034 nan 8.210 nan 0.000 0.433 38 L N 3.315 124.660 121.223 0.204 0.000 2.385 38 L HA 0.374 4.715 4.340 0.001 0.000 0.281 38 L C -0.371 176.703 176.870 0.340 0.000 1.106 38 L CA 0.068 55.097 54.840 0.316 0.000 0.856 38 L CB 0.260 42.455 42.059 0.227 0.000 1.186 38 L HN 0.118 nan 8.230 nan 0.000 0.453 39 L N 6.799 128.207 121.223 0.308 0.000 2.307 39 L HA 0.585 4.925 4.340 0.001 0.000 0.282 39 L C -0.681 176.394 176.870 0.342 0.000 1.051 39 L CA -0.540 54.450 54.840 0.250 0.000 0.804 39 L CB 1.019 43.168 42.059 0.150 0.000 1.197 39 L HN 0.734 nan 8.230 nan 0.000 0.431 40 W N 2.391 123.694 121.300 0.005 0.000 3.419 40 W HA 0.668 5.328 4.660 0.001 0.000 0.298 40 W C -1.583 174.859 176.519 -0.127 0.000 1.260 40 W CA -0.749 56.578 57.345 -0.029 0.000 1.199 40 W CB 1.461 30.949 29.460 0.047 0.000 1.349 40 W HN 0.540 nan 8.180 nan 0.000 0.557 41 D N 1.247 121.448 120.400 -0.333 0.000 3.344 41 D HA -0.111 4.530 4.640 0.001 0.000 0.303 41 D C -0.231 175.591 176.300 -0.796 0.000 0.982 41 D CA -0.365 53.148 54.000 -0.810 0.000 0.731 41 D CB 1.165 41.615 40.800 -0.584 0.000 2.071 41 D HN 0.363 nan 8.370 nan 0.000 0.521 42 I N 1.258 121.209 120.570 -1.032 0.000 2.546 42 I HA -0.081 4.089 4.170 0.001 0.000 0.255 42 I C 1.511 177.482 176.117 -0.242 0.000 1.163 42 I CA 1.628 62.640 61.300 -0.480 0.000 1.457 42 I CB -0.005 37.887 38.000 -0.181 0.000 1.092 42 I HN 0.295 nan 8.210 nan 0.000 0.434 43 D N 0.566 120.817 120.400 -0.247 0.000 2.149 43 D HA -0.136 4.505 4.640 0.001 0.000 0.201 43 D C 1.933 178.193 176.300 -0.066 0.000 0.972 43 D CA 0.897 54.824 54.000 -0.122 0.000 0.835 43 D CB -0.037 40.688 40.800 -0.126 0.000 0.966 43 D HN 0.407 nan 8.370 nan 0.000 0.476 44 E N 0.851 120.977 120.200 -0.123 0.000 2.077 44 E HA -0.086 4.265 4.350 0.001 0.000 0.193 44 E C 2.557 179.166 176.600 0.014 0.000 0.989 44 E CA 0.208 56.582 56.400 -0.044 0.000 0.800 44 E CB -0.286 29.363 29.700 -0.085 0.000 0.746 44 E HN 0.357 nan 8.360 nan 0.000 0.452 45 L N 0.406 121.608 121.223 -0.036 0.000 2.012 45 L HA -0.181 4.159 4.340 0.001 0.000 0.210 45 L C 2.576 179.529 176.870 0.139 0.000 1.073 45 L CA 1.000 55.849 54.840 0.015 0.000 0.748 45 L CB -0.463 41.592 42.059 -0.007 0.000 0.891 45 L HN 0.114 nan 8.230 nan 0.000 0.431 46 L N -0.568 120.736 121.223 0.134 0.000 2.275 46 L HA -0.116 4.225 4.340 0.001 0.000 0.215 46 L C 2.114 179.150 176.870 0.277 0.000 1.119 46 L CA 1.369 56.346 54.840 0.228 0.000 0.790 46 L CB -0.629 41.544 42.059 0.189 0.000 0.919 46 L HN 0.436 nan 8.230 nan 0.000 0.443 47 T N -4.788 109.918 114.554 0.253 0.000 3.145 47 T HA 0.014 4.365 4.350 0.001 0.000 0.255 47 T C 0.342 175.266 174.700 0.374 0.000 1.039 47 T CA -0.431 61.862 62.100 0.322 0.000 0.928 47 T CB -0.396 68.635 68.868 0.272 0.000 1.029 47 T HN 0.059 nan 8.240 nan 0.000 0.554 48 Y N 4.250 124.652 120.300 0.170 0.000 2.712 48 Y HA 0.115 4.665 4.550 0.001 0.000 0.333 48 Y C 1.584 177.599 175.900 0.192 0.000 1.225 48 Y CA -0.832 57.334 58.100 0.109 0.000 1.499 48 Y CB 0.390 38.847 38.460 -0.006 0.000 1.288 48 Y HN 0.523 nan 8.280 nan 0.000 0.575 49 H N 3.114 122.283 119.070 0.165 0.000 2.460 49 H HA -0.243 4.314 4.556 0.001 0.000 0.297 49 H C 1.075 176.445 175.328 0.069 0.000 1.103 49 H CA 2.285 58.415 56.048 0.136 0.000 1.292 49 H CB -0.796 29.068 29.762 0.170 0.000 1.376 49 H HN 0.690 nan 8.280 nan 0.000 0.531 50 Y N 0.830 120.641 120.300 -0.815 0.000 2.128 50 Y HA -0.140 4.410 4.550 0.001 0.000 0.284 50 Y C 2.530 178.368 175.900 -0.103 0.000 1.154 50 Y CA 1.362 59.187 58.100 -0.458 0.000 1.149 50 Y CB -0.541 37.512 38.460 -0.678 0.000 0.976 50 Y HN 0.260 nan 8.280 nan 0.000 0.505 51 L N -1.632 119.679 121.223 0.147 0.000 2.313 51 L HA -0.116 4.225 4.340 0.001 0.000 0.214 51 L C 2.188 179.106 176.870 0.081 0.000 1.119 51 L CA 0.221 55.158 54.840 0.162 0.000 0.809 51 L CB -0.562 41.648 42.059 0.253 0.000 0.933 51 L HN 0.034 nan 8.230 nan 0.000 0.449 52 V N 0.305 120.254 119.914 0.058 0.000 2.307 52 V HA -0.277 3.844 4.120 0.001 0.000 0.245 52 V C 2.798 178.787 176.094 -0.174 0.000 1.045 52 V CA 1.838 64.050 62.300 -0.147 0.000 1.024 52 V CB -0.778 31.002 31.823 -0.072 0.000 0.651 52 V HN 0.473 nan 8.190 nan 0.000 0.449 53 A N -0.304 122.498 122.820 -0.030 0.000 1.865 53 A HA -0.274 4.047 4.320 0.001 0.000 0.217 53 A C 2.176 179.726 177.584 -0.058 0.000 1.191 53 A CA 2.095 54.111 52.037 -0.034 0.000 0.623 53 A CB -0.545 18.485 19.000 0.049 0.000 0.826 53 A HN 0.619 nan 8.150 nan 0.000 0.444 54 E N -0.821 119.371 120.200 -0.013 0.000 2.051 54 E HA -0.141 4.210 4.350 0.001 0.000 0.192 54 E C 1.987 178.603 176.600 0.027 0.000 0.991 54 E CA 1.203 57.605 56.400 0.004 0.000 0.799 54 E CB -0.351 29.380 29.700 0.051 0.000 0.748 54 E HN 0.369 nan 8.360 nan 0.000 0.449 55 V N 1.086 121.006 119.914 0.010 0.000 2.392 55 V HA -0.246 3.874 4.120 0.001 0.000 0.249 55 V C 1.954 178.033 176.094 -0.025 0.000 1.059 55 V CA 1.445 63.763 62.300 0.030 0.000 1.051 55 V CB -0.194 31.606 31.823 -0.039 0.000 0.658 55 V HN 0.315 nan 8.190 nan 0.000 0.455 56 M N -0.632 118.879 119.600 -0.148 0.000 2.446 56 M HA -0.077 4.404 4.480 0.001 0.000 0.263 56 M C 2.074 178.311 176.300 -0.105 0.000 1.066 56 M CA 1.352 56.558 55.300 -0.157 0.000 1.087 56 M CB -1.353 31.116 32.600 -0.218 0.000 1.406 56 M HN 0.355 nan 8.290 nan 0.000 0.459 57 R N -2.157 118.267 120.500 -0.127 0.000 2.240 57 R HA -0.090 4.251 4.340 0.001 0.000 0.203 57 R C 1.566 177.691 176.300 -0.293 0.000 1.011 57 R CA 0.878 56.826 56.100 -0.255 0.000 1.007 57 R CB 0.113 30.181 30.300 -0.387 0.000 0.911 57 R HN 0.447 nan 8.270 nan 0.000 0.468 58 W N -0.647 120.613 121.300 -0.066 0.000 3.127 58 W HA 0.121 4.782 4.660 0.001 0.000 0.248 58 W C 1.187 177.682 176.519 -0.041 0.000 1.058 58 W CA -0.323 56.992 57.345 -0.051 0.000 1.783 58 W CB -0.354 29.076 29.460 -0.050 0.000 1.030 58 W HN -0.227 nan 8.180 nan 0.000 0.653 59 T N 1.218 115.903 114.554 0.218 0.000 2.906 59 T HA -0.077 4.273 4.350 0.001 0.000 0.320 59 T C 0.690 175.434 174.700 0.074 0.000 1.088 59 T CA 0.464 62.634 62.100 0.116 0.000 1.120 59 T CB 0.519 69.431 68.868 0.074 0.000 1.000 59 T HN 0.016 nan 8.240 nan 0.000 0.550 60 D N 1.902 122.341 120.400 0.065 0.000 2.350 60 D HA 0.094 4.734 4.640 0.001 0.000 0.213 60 D C 0.451 176.776 176.300 0.040 0.000 1.031 60 D CA 0.224 54.252 54.000 0.047 0.000 0.861 60 D CB 0.210 41.037 40.800 0.046 0.000 0.926 60 D HN 0.297 nan 8.370 nan 0.000 0.520 61 V N 2.614 122.557 119.914 0.048 0.000 2.529 61 V HA -0.014 4.107 4.120 0.001 0.000 0.292 61 V C 1.092 177.208 176.094 0.036 0.000 1.028 61 V CA -0.392 61.942 62.300 0.056 0.000 1.074 61 V CB 0.847 32.726 31.823 0.093 0.000 0.958 61 V HN 0.157 nan 8.190 nan 0.000 0.481 62 S N 4.942 120.666 115.700 0.040 0.000 2.576 62 S HA 0.121 4.592 4.470 0.001 0.000 0.272 62 S C 1.036 175.648 174.600 0.019 0.000 1.352 62 S CA -0.244 57.974 58.200 0.030 0.000 1.021 62 S CB 0.619 63.847 63.200 0.047 0.000 0.887 62 S HN 0.625 nan 8.310 nan 0.000 0.542 63 I N 1.324 121.885 120.570 -0.014 0.000 2.361 63 I HA -0.064 4.106 4.170 0.001 0.000 0.251 63 I C 1.970 178.090 176.117 0.005 0.000 1.133 63 I CA 1.622 62.864 61.300 -0.096 0.000 1.413 63 I CB -0.771 37.182 38.000 -0.079 0.000 1.073 63 I HN 0.801 nan 8.210 nan 0.000 0.424 64 E N 0.934 121.205 120.200 0.118 0.000 2.051 64 E HA -0.117 4.233 4.350 0.001 0.000 0.192 64 E C 2.309 179.013 176.600 0.174 0.000 0.991 64 E CA 1.595 58.114 56.400 0.198 0.000 0.799 64 E CB -0.825 28.963 29.700 0.147 0.000 0.748 64 E HN 0.563 nan 8.360 nan 0.000 0.449 65 A N 0.459 123.348 122.820 0.115 0.000 1.883 65 A HA -0.202 4.118 4.320 0.001 0.000 0.217 65 A C 2.164 179.800 177.584 0.087 0.000 1.186 65 A CA 1.506 53.599 52.037 0.094 0.000 0.624 65 A CB -0.963 18.083 19.000 0.076 0.000 0.822 65 A HN 0.334 nan 8.150 nan 0.000 0.444 66 F N -0.809 119.093 119.950 -0.081 0.000 2.091 66 F HA -0.231 4.297 4.527 0.001 0.000 0.299 66 F C 2.059 177.823 175.800 -0.060 0.000 1.103 66 F CA 1.869 59.771 58.000 -0.163 0.000 1.228 66 F CB -0.475 38.286 39.000 -0.399 0.000 0.984 66 F HN 0.437 nan 8.300 nan 0.000 0.477 67 W N -0.315 121.054 121.300 0.114 0.000 2.465 67 W HA -0.036 4.624 4.660 0.001 0.000 0.268 67 W C 2.443 178.931 176.519 -0.051 0.000 1.242 67 W CA 0.519 57.878 57.345 0.023 0.000 1.248 67 W CB -0.385 29.142 29.460 0.113 0.000 1.118 67 W HN 0.095 nan 8.180 nan 0.000 0.587 68 A N -0.058 122.872 122.820 0.182 0.000 1.970 68 A HA -0.006 4.314 4.320 0.001 0.000 0.216 68 A C 1.272 178.868 177.584 0.019 0.000 1.170 68 A CA 0.487 52.581 52.037 0.095 0.000 0.645 68 A CB -0.531 18.518 19.000 0.082 0.000 0.816 68 A HN 0.079 nan 8.150 nan 0.000 0.447 69 M N 0.760 120.327 119.600 -0.055 0.000 2.184 69 M HA 0.146 4.626 4.480 0.001 0.000 0.296 69 M C 0.917 177.161 176.300 -0.093 0.000 1.165 69 M CA 0.080 55.320 55.300 -0.100 0.000 1.175 69 M CB 0.340 32.824 32.600 -0.193 0.000 1.392 69 M HN 0.424 nan 8.290 nan 0.000 0.457 70 S N 0.076 115.731 115.700 -0.075 0.000 2.652 70 S HA 0.236 4.707 4.470 0.001 0.000 0.270 70 S C 0.650 175.206 174.600 -0.074 0.000 1.243 70 S CA -0.845 57.322 58.200 -0.054 0.000 0.999 70 S CB 1.523 64.701 63.200 -0.036 0.000 0.973 70 S HN 0.749 nan 8.310 nan 0.000 0.544 71 K N 1.153 121.525 120.400 -0.047 0.000 2.044 71 K HA -0.203 4.118 4.320 0.001 0.000 0.210 71 K C 2.385 178.961 176.600 -0.040 0.000 1.049 71 K CA 1.937 58.202 56.287 -0.036 0.000 0.927 71 K CB -0.312 32.173 32.500 -0.026 0.000 0.713 71 K HN 0.739 nan 8.250 nan 0.000 0.443 72 R N 0.496 120.970 120.500 -0.044 0.000 2.092 72 R HA -0.121 4.219 4.340 0.001 0.000 0.231 72 R C 1.881 178.164 176.300 -0.027 0.000 1.119 72 R CA 1.874 57.950 56.100 -0.039 0.000 0.970 72 R CB -0.095 30.180 30.300 -0.043 0.000 0.864 72 R HN 0.354 nan 8.270 nan 0.000 0.440 73 E N 0.296 120.474 120.200 -0.038 0.000 2.051 73 E HA -0.242 4.108 4.350 0.001 0.000 0.192 73 E C 2.185 178.771 176.600 -0.024 0.000 0.991 73 E CA 1.589 57.972 56.400 -0.030 0.000 0.799 73 E CB -0.046 29.626 29.700 -0.046 0.000 0.748 73 E HN 0.528 nan 8.360 nan 0.000 0.449 74 Q N 0.325 120.066 119.800 -0.099 0.000 2.084 74 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 74 Q C 2.252 178.334 176.000 0.136 0.000 0.978 74 Q CA 1.369 57.109 55.803 -0.105 0.000 0.844 74 Q CB -0.217 28.282 28.738 -0.399 0.000 0.898 74 Q HN 0.231 nan 8.270 nan 0.000 0.426 75 A N 1.378 124.252 122.820 0.090 0.000 1.972 75 A HA -0.216 4.104 4.320 0.001 0.000 0.219 75 A C 1.586 179.261 177.584 0.151 0.000 1.169 75 A CA 1.683 53.795 52.037 0.125 0.000 0.635 75 A CB -0.305 18.719 19.000 0.041 0.000 0.810 75 A HN 0.235 nan 8.150 nan 0.000 0.446 76 D N -0.508 119.956 120.400 0.106 0.000 2.123 76 D HA -0.096 4.544 4.640 0.001 0.000 0.200 76 D C 1.878 178.302 176.300 0.206 0.000 0.976 76 D CA 1.157 55.234 54.000 0.129 0.000 0.831 76 D CB -0.346 40.494 40.800 0.067 0.000 0.974 76 D HN 0.363 nan 8.370 nan 0.000 0.469 77 L N 0.980 122.316 121.223 0.187 0.000 2.017 77 L HA -0.091 4.250 4.340 0.001 0.000 0.208 77 L C 2.177 179.191 176.870 0.240 0.000 1.073 77 L CA 1.352 56.313 54.840 0.202 0.000 0.745 77 L CB -0.491 41.701 42.059 0.222 0.000 0.894 77 L HN -0.040 nan 8.230 nan 0.000 0.432 78 I N -1.570 119.177 120.570 0.296 0.000 2.226 78 I HA -0.337 3.834 4.170 0.001 0.000 0.245 78 I C 2.374 178.730 176.117 0.398 0.000 1.100 78 I CA 1.588 63.077 61.300 0.315 0.000 1.374 78 I CB -0.541 37.666 38.000 0.344 0.000 1.057 78 I HN 0.586 nan 8.210 nan 0.000 0.413 79 W N 2.170 123.583 121.300 0.189 0.000 2.355 79 W HA -0.264 4.396 4.660 0.001 0.000 0.309 79 W C 2.398 179.045 176.519 0.213 0.000 1.206 79 W CA 2.072 59.509 57.345 0.153 0.000 1.284 79 W CB -0.105 29.327 29.460 -0.046 0.000 1.145 79 W HN 0.161 nan 8.180 nan 0.000 0.502 80 E N 0.798 121.159 120.200 0.268 0.000 2.017 80 E HA -0.240 4.110 4.350 0.001 0.000 0.193 80 E C 2.009 178.612 176.600 0.005 0.000 0.997 80 E CA 2.166 58.635 56.400 0.115 0.000 0.804 80 E CB -0.649 29.135 29.700 0.139 0.000 0.757 80 E HN 0.123 nan 8.360 nan 0.000 0.448 81 E N -0.035 120.187 120.200 0.037 0.000 2.077 81 E HA -0.133 4.218 4.350 0.001 0.000 0.193 81 E C 2.233 178.735 176.600 -0.164 0.000 0.989 81 E CA 1.119 57.487 56.400 -0.053 0.000 0.800 81 E CB -0.110 29.613 29.700 0.038 0.000 0.746 81 E HN 0.389 nan 8.360 nan 0.000 0.452 82 L N -1.308 119.882 121.223 -0.055 0.000 2.463 82 L HA 0.116 4.456 4.340 0.001 0.000 0.219 82 L C 1.829 178.441 176.870 -0.431 0.000 1.088 82 L CA 0.219 54.938 54.840 -0.202 0.000 0.849 82 L CB -0.004 41.977 42.059 -0.131 0.000 1.012 82 L HN 0.013 nan 8.230 nan 0.000 0.468 83 F N -1.115 118.591 119.950 -0.406 0.000 2.553 83 F HA 0.136 4.664 4.527 0.001 0.000 0.282 83 F C 2.058 177.561 175.800 -0.495 0.000 1.089 83 F CA 0.057 57.708 58.000 -0.582 0.000 1.411 83 F CB 0.364 38.646 39.000 -1.196 0.000 1.125 83 F HN -0.164 nan 8.300 nan 0.000 0.610 84 I N 0.280 120.701 120.570 -0.249 0.000 2.512 84 I HA -0.047 4.123 4.170 0.001 0.000 0.247 84 I C 1.891 177.908 176.117 -0.166 0.000 1.094 84 I CA 1.114 62.310 61.300 -0.172 0.000 1.427 84 I CB -1.189 36.754 38.000 -0.094 0.000 1.149 84 I HN 0.044 nan 8.210 nan 0.000 0.438 85 K N 0.753 121.033 120.400 -0.200 0.000 2.283 85 K HA -0.053 4.267 4.320 0.001 0.000 0.202 85 K C 0.142 176.536 176.600 -0.343 0.000 1.048 85 K CA 0.754 56.889 56.287 -0.253 0.000 0.948 85 K CB 0.141 32.469 32.500 -0.287 0.000 0.742 85 K HN 0.213 nan 8.250 nan 0.000 0.458 86 R N -0.749 119.529 120.500 -0.370 0.000 2.774 86 R HA 0.239 4.580 4.340 0.001 0.000 0.272 86 R C -1.096 175.039 176.300 -0.275 0.000 1.000 86 R CA -0.504 55.382 56.100 -0.358 0.000 0.906 86 R CB 1.760 31.752 30.300 -0.514 0.000 1.227 86 R HN -0.165 nan 8.270 nan 0.000 0.468 87 S N 3.322 118.899 115.700 -0.205 0.000 2.549 87 S HA 0.175 4.646 4.470 0.001 0.000 0.279 87 S C -1.926 172.524 174.600 -0.249 0.000 1.321 87 S CA -0.720 57.368 58.200 -0.187 0.000 1.054 87 S CB 0.607 63.735 63.200 -0.120 0.000 0.899 87 S HN 0.449 nan 8.310 nan 0.000 0.497 88 P HA 0.061 nan 4.420 nan 0.000 0.232 88 P C 0.872 178.008 177.300 -0.273 0.000 1.738 88 P CA -0.076 62.722 63.100 -0.502 0.000 0.948 88 P CB -0.561 30.701 31.700 -0.731 0.000 1.943 89 V N -0.960 118.845 119.914 -0.181 0.000 3.041 89 V HA -0.025 4.095 4.120 0.001 0.000 0.260 89 V C 1.295 177.338 176.094 -0.084 0.000 1.105 89 V CA 0.652 62.887 62.300 -0.107 0.000 1.125 89 V CB -1.451 30.331 31.823 -0.069 0.000 0.730 89 V HN 0.396 nan 8.190 nan 0.000 0.479 90 S N 0.634 116.280 115.700 -0.090 0.000 2.576 90 S HA 0.052 4.522 4.470 0.001 0.000 0.272 90 S C 1.124 175.709 174.600 -0.024 0.000 1.352 90 S CA 0.649 58.825 58.200 -0.040 0.000 1.021 90 S CB 1.215 64.400 63.200 -0.026 0.000 0.887 90 S HN 0.534 nan 8.310 nan 0.000 0.542 91 E N 2.308 122.529 120.200 0.035 0.000 2.077 91 E HA -0.088 4.263 4.350 0.001 0.000 0.193 91 E C 2.092 178.739 176.600 0.078 0.000 0.989 91 E CA 1.953 58.401 56.400 0.080 0.000 0.800 91 E CB -0.975 28.818 29.700 0.155 0.000 0.746 91 E HN 0.822 nan 8.360 nan 0.000 0.452 92 A N -0.192 122.703 122.820 0.126 0.000 1.933 92 A HA -0.186 4.135 4.320 0.001 0.000 0.218 92 A C 2.588 180.177 177.584 0.009 0.000 1.175 92 A CA 1.523 53.647 52.037 0.144 0.000 0.628 92 A CB -0.986 18.188 19.000 0.289 0.000 0.814 92 A HN 0.504 nan 8.150 nan 0.000 0.444 93 C N -1.261 118.019 119.300 -0.034 0.000 2.476 93 C HA -0.016 4.444 4.460 0.001 0.000 0.278 93 C C 2.789 177.750 174.990 -0.049 0.000 1.274 93 C CA 0.987 59.935 59.018 -0.117 0.000 1.713 93 C CB -1.151 26.292 27.740 -0.495 0.000 2.039 93 C HN 0.726 nan 8.230 nan 0.000 0.484 94 R N 1.104 121.556 120.500 -0.080 0.000 2.103 94 R HA -0.151 4.189 4.340 0.001 0.000 0.242 94 R C 2.194 178.476 176.300 -0.029 0.000 1.142 94 R CA 2.179 58.261 56.100 -0.030 0.000 0.960 94 R CB -0.806 29.469 30.300 -0.041 0.000 0.858 94 R HN 0.571 nan 8.270 nan 0.000 0.439 95 G N 0.130 108.759 108.800 -0.285 0.000 2.422 95 G HA2 -0.207 3.754 3.960 0.001 0.000 0.218 95 G HA3 -0.207 3.754 3.960 0.001 0.000 0.218 95 G C 1.449 176.003 174.900 -0.577 0.000 1.146 95 G CA 0.848 45.285 45.100 -1.105 0.000 0.769 95 G HN 0.247 nan 8.290 nan 0.000 0.547 96 V N 1.025 120.823 119.914 -0.194 0.000 2.343 96 V HA -0.137 3.983 4.120 0.001 0.000 0.247 96 V C 2.927 179.054 176.094 0.056 0.000 1.051 96 V CA 1.497 63.823 62.300 0.044 0.000 1.036 96 V CB -0.426 31.562 31.823 0.274 0.000 0.654 96 V HN 0.360 nan 8.190 nan 0.000 0.451 97 L N -0.424 120.864 121.223 0.108 0.000 2.017 97 L HA -0.186 4.155 4.340 0.001 0.000 0.208 97 L C 2.630 179.507 176.870 0.010 0.000 1.073 97 L CA 2.074 56.961 54.840 0.077 0.000 0.745 97 L CB -1.292 40.835 42.059 0.113 0.000 0.894 97 L HN 0.323 nan 8.230 nan 0.000 0.432 98 T N -0.903 113.658 114.554 0.011 0.000 2.803 98 T HA -0.205 4.146 4.350 0.001 0.000 0.269 98 T C 2.046 176.747 174.700 0.002 0.000 1.052 98 T CA 1.476 63.575 62.100 -0.002 0.000 1.136 98 T CB -0.373 68.525 68.868 0.050 0.000 0.864 98 T HN 0.389 nan 8.240 nan 0.000 0.467 99 C N 0.707 120.024 119.300 0.030 0.000 2.462 99 C HA 0.095 4.556 4.460 0.001 0.000 0.278 99 C C 2.672 177.660 174.990 -0.005 0.000 1.253 99 C CA 0.187 59.240 59.018 0.060 0.000 1.713 99 C CB -1.338 26.468 27.740 0.110 0.000 2.049 99 C HN 0.524 nan 8.230 nan 0.000 0.477 100 L N 0.503 121.688 121.223 -0.063 0.000 1.971 100 L HA -0.298 4.042 4.340 0.001 0.000 0.215 100 L C 2.776 179.553 176.870 -0.156 0.000 1.072 100 L CA 2.145 56.875 54.840 -0.183 0.000 0.758 100 L CB -1.022 40.827 42.059 -0.350 0.000 0.889 100 L HN 0.468 nan 8.230 nan 0.000 0.433 101 Q N -0.083 119.660 119.800 -0.094 0.000 2.112 101 Q HA -0.207 4.133 4.340 0.001 0.000 0.206 101 Q C 2.116 178.095 176.000 -0.035 0.000 0.987 101 Q CA 1.904 57.676 55.803 -0.053 0.000 0.858 101 Q CB -0.289 28.435 28.738 -0.023 0.000 0.905 101 Q HN 0.562 nan 8.270 nan 0.000 0.420 102 G N 0.727 109.516 108.800 -0.018 0.000 2.408 102 G HA2 -0.202 3.759 3.960 0.001 0.000 0.217 102 G HA3 -0.202 3.759 3.960 0.001 0.000 0.217 102 G C 1.288 176.179 174.900 -0.015 0.000 1.150 102 G CA 0.540 45.649 45.100 0.016 0.000 0.776 102 G HN 0.343 nan 8.290 nan 0.000 0.542 103 L N 0.270 121.442 121.223 -0.085 0.000 2.551 103 L HA 0.174 4.514 4.340 0.001 0.000 0.228 103 L C 2.199 178.950 176.870 -0.198 0.000 1.153 103 L CA 0.656 55.386 54.840 -0.184 0.000 0.851 103 L CB -0.016 41.776 42.059 -0.445 0.000 0.959 103 L HN 0.455 nan 8.230 nan 0.000 0.451 104 G N -0.637 108.090 108.800 -0.122 0.000 2.195 104 G HA2 -0.224 3.737 3.960 0.001 0.000 0.224 104 G HA3 -0.224 3.737 3.960 0.001 0.000 0.224 104 G C 0.345 175.205 174.900 -0.067 0.000 0.990 104 G CA -0.268 44.795 45.100 -0.061 0.000 0.639 104 G HN 0.166 nan 8.290 nan 0.000 0.514 105 L N 0.442 121.577 121.223 -0.146 0.000 2.475 105 L HA 0.573 4.914 4.340 0.001 0.000 0.250 105 L C 0.277 177.147 176.870 0.000 0.000 1.224 105 L CA -0.135 54.669 54.840 -0.060 0.000 0.821 105 L CB 0.411 42.376 42.059 -0.158 0.000 1.141 105 L HN 0.165 nan 8.230 nan 0.000 0.494 106 D N -0.433 120.049 120.400 0.138 0.000 2.454 106 D HA 0.300 4.940 4.640 0.001 0.000 0.247 106 D C -1.963 174.470 176.300 0.222 0.000 1.129 106 D CA -1.877 52.203 54.000 0.133 0.000 0.877 106 D CB 1.760 42.634 40.800 0.124 0.000 1.082 106 D HN 0.049 nan 8.370 nan 0.000 0.537 107 P HA -0.131 nan 4.420 nan 0.000 0.218 107 P C 1.136 178.583 177.300 0.245 0.000 1.146 107 P CA 1.161 64.372 63.100 0.184 0.000 0.813 107 P CB 0.244 32.002 31.700 0.097 0.000 0.778 108 A N -0.248 122.673 122.820 0.168 0.000 1.948 108 A HA -0.257 4.063 4.320 0.001 0.000 0.220 108 A C 2.248 179.923 177.584 0.152 0.000 1.177 108 A CA 2.671 54.789 52.037 0.135 0.000 0.636 108 A CB -1.931 17.126 19.000 0.095 0.000 0.815 108 A HN 0.383 nan 8.150 nan 0.000 0.449 109 T N -4.388 110.276 114.554 0.183 0.000 3.043 109 T HA 0.048 4.399 4.350 0.001 0.000 0.263 109 T C 0.908 175.706 174.700 0.163 0.000 1.094 109 T CA 0.609 62.789 62.100 0.134 0.000 1.127 109 T CB -0.334 68.577 68.868 0.070 0.000 0.905 109 T HN 0.585 nan 8.240 nan 0.000 0.490 110 R N 1.147 121.847 120.500 0.334 0.000 3.641 110 R HA -0.125 4.215 4.340 0.001 0.000 0.286 110 R C -0.797 175.596 176.300 0.154 0.000 1.153 110 R CA 0.815 57.208 56.100 0.488 0.000 0.775 110 R CB -2.196 28.358 30.300 0.423 0.000 1.215 110 R HN 0.472 nan 8.270 nan 0.000 0.474 111 D N 1.060 121.281 120.400 -0.299 0.000 2.494 111 D HA 0.060 4.701 4.640 0.001 0.000 0.217 111 D C 1.049 176.657 176.300 -1.153 0.000 1.153 111 D CA -0.200 53.441 54.000 -0.599 0.000 0.954 111 D CB 0.703 41.204 40.800 -0.499 0.000 1.034 111 D HN 0.072 nan 8.370 nan 0.000 0.518 112 L N 3.562 124.325 121.223 -0.766 0.000 2.079 112 L HA -0.195 4.145 4.340 0.001 0.000 0.210 112 L C 2.000 178.616 176.870 -0.425 0.000 1.081 112 L CA 1.746 56.174 54.840 -0.686 0.000 0.752 112 L CB -0.187 41.379 42.059 -0.823 0.000 0.896 112 L HN 0.314 nan 8.230 nan 0.000 0.433 113 Q N -0.883 118.711 119.800 -0.343 0.000 2.124 113 Q HA -0.107 4.233 4.340 0.001 0.000 0.202 113 Q C 2.376 178.272 176.000 -0.173 0.000 0.977 113 Q CA 1.675 57.358 55.803 -0.200 0.000 0.850 113 Q CB -0.710 27.937 28.738 -0.151 0.000 0.901 113 Q HN 0.463 nan 8.270 nan 0.000 0.429 114 V N 0.283 120.027 119.914 -0.283 0.000 2.379 114 V HA -0.229 3.891 4.120 0.001 0.000 0.245 114 V C 1.935 177.989 176.094 -0.066 0.000 1.044 114 V CA 1.393 63.577 62.300 -0.193 0.000 1.036 114 V CB -0.725 30.948 31.823 -0.251 0.000 0.664 114 V HN 0.216 nan 8.190 nan 0.000 0.453 115 Y N 0.957 121.233 120.300 -0.039 0.000 2.165 115 Y HA -0.213 4.338 4.550 0.001 0.000 0.286 115 Y C 2.640 178.635 175.900 0.158 0.000 1.155 115 Y CA 1.227 59.331 58.100 0.006 0.000 1.164 115 Y CB -1.015 37.424 38.460 -0.036 0.000 0.978 115 Y HN 0.161 nan 8.280 nan 0.000 0.513 116 R N 0.298 120.956 120.500 0.264 0.000 2.091 116 R HA -0.175 4.166 4.340 0.001 0.000 0.238 116 R C 2.111 178.564 176.300 0.255 0.000 1.136 116 R CA 1.710 57.982 56.100 0.287 0.000 0.959 116 R CB -0.343 30.008 30.300 0.084 0.000 0.856 116 R HN 0.484 nan 8.270 nan 0.000 0.437 117 E N -0.490 119.788 120.200 0.130 0.000 2.118 117 E HA -0.272 4.078 4.350 0.001 0.000 0.195 117 E C 1.638 178.289 176.600 0.084 0.000 0.992 117 E CA 1.359 57.808 56.400 0.082 0.000 0.804 117 E CB -0.236 29.484 29.700 0.033 0.000 0.741 117 E HN 0.428 nan 8.360 nan 0.000 0.458 118 Y N 0.491 120.748 120.300 -0.071 0.000 2.128 118 Y HA -0.299 4.251 4.550 0.001 0.000 0.284 118 Y C 1.760 177.527 175.900 -0.221 0.000 1.154 118 Y CA 1.764 59.730 58.100 -0.223 0.000 1.149 118 Y CB -0.222 37.968 38.460 -0.450 0.000 0.976 118 Y HN -0.057 nan 8.280 nan 0.000 0.505 119 F N -0.112 120.025 119.950 0.312 0.000 2.234 119 F HA 0.009 4.536 4.527 0.001 0.000 0.296 119 F C 2.603 178.483 175.800 0.132 0.000 1.089 119 F CA 0.883 59.050 58.000 0.279 0.000 1.343 119 F CB -1.227 37.902 39.000 0.214 0.000 1.040 119 F HN 0.105 nan 8.300 nan 0.000 0.498 120 A N 0.858 123.808 122.820 0.217 0.000 2.084 120 A HA -0.221 4.099 4.320 0.001 0.000 0.221 120 A C 1.911 179.546 177.584 0.085 0.000 1.161 120 A CA 1.786 53.888 52.037 0.110 0.000 0.653 120 A CB -0.893 18.147 19.000 0.066 0.000 0.802 120 A HN 0.548 nan 8.150 nan 0.000 0.457 121 K N -0.644 119.783 120.400 0.044 0.000 2.437 121 K HA 0.276 4.597 4.320 0.001 0.000 0.205 121 K C -0.199 176.404 176.600 0.006 0.000 1.026 121 K CA -0.178 56.111 56.287 0.004 0.000 1.153 121 K CB 0.303 32.771 32.500 -0.053 0.000 0.863 121 K HN 0.283 nan 8.250 nan 0.000 0.502 122 K N 1.117 121.580 120.400 0.104 0.000 2.352 122 K HA 0.282 4.603 4.320 0.001 0.000 0.240 122 K C -0.433 176.294 176.600 0.213 0.000 1.017 122 K CA -0.888 55.455 56.287 0.093 0.000 0.851 122 K CB 1.888 34.410 32.500 0.036 0.000 1.261 122 K HN 0.121 nan 8.250 nan 0.000 0.451 123 T N -2.535 112.046 114.554 0.046 0.000 2.950 123 T HA 0.211 4.561 4.350 0.001 0.000 0.288 123 T C 1.029 175.585 174.700 -0.241 0.000 1.035 123 T CA -0.765 61.362 62.100 0.044 0.000 1.028 123 T CB 1.595 70.469 68.868 0.010 0.000 1.109 123 T HN 0.367 nan 8.240 nan 0.000 0.514 124 S N 0.991 116.579 115.700 -0.187 0.000 2.369 124 S HA -0.184 4.286 4.470 0.001 0.000 0.225 124 S C 1.917 176.276 174.600 -0.402 0.000 1.043 124 S CA 1.963 59.869 58.200 -0.490 0.000 1.074 124 S CB -0.646 62.485 63.200 -0.116 0.000 0.962 124 S HN 0.878 nan 8.310 nan 0.000 0.433 125 E N 1.170 121.252 120.200 -0.196 0.000 2.130 125 E HA -0.168 4.182 4.350 0.001 0.000 0.196 125 E C 2.040 178.557 176.600 -0.138 0.000 0.998 125 E CA 1.333 57.654 56.400 -0.132 0.000 0.806 125 E CB -0.268 29.387 29.700 -0.074 0.000 0.738 125 E HN 0.626 nan 8.360 nan 0.000 0.459 126 E N -0.115 119.986 120.200 -0.166 0.000 2.046 126 E HA -0.205 4.145 4.350 0.001 0.000 0.190 126 E C 2.103 178.608 176.600 -0.158 0.000 0.982 126 E CA 1.027 57.347 56.400 -0.135 0.000 0.800 126 E CB -0.062 29.570 29.700 -0.114 0.000 0.756 126 E HN 0.091 nan 8.360 nan 0.000 0.449 127 Q N 0.982 120.600 119.800 -0.305 0.000 2.124 127 Q HA -0.134 4.206 4.340 0.001 0.000 0.202 127 Q C 2.078 177.988 176.000 -0.150 0.000 0.977 127 Q CA 1.219 56.868 55.803 -0.257 0.000 0.850 127 Q CB -0.192 28.171 28.738 -0.625 0.000 0.901 127 Q HN 0.097 nan 8.270 nan 0.000 0.429 128 V N 1.268 121.067 119.914 -0.191 0.000 2.255 128 V HA -0.299 3.821 4.120 0.001 0.000 0.247 128 V C 1.805 177.898 176.094 -0.001 0.000 1.051 128 V CA 2.275 64.546 62.300 -0.049 0.000 1.018 128 V CB -0.708 31.113 31.823 -0.002 0.000 0.641 128 V HN 0.451 nan 8.190 nan 0.000 0.445 129 D N -0.256 120.133 120.400 -0.019 0.000 2.123 129 D HA -0.145 4.495 4.640 0.001 0.000 0.196 129 D C 2.229 178.530 176.300 0.001 0.000 0.992 129 D CA 1.962 55.959 54.000 -0.005 0.000 0.833 129 D CB -0.393 40.398 40.800 -0.015 0.000 0.954 129 D HN 0.447 nan 8.370 nan 0.000 0.455 130 T N 0.980 115.536 114.554 0.004 0.000 2.674 130 T HA -0.095 4.255 4.350 0.001 0.000 0.265 130 T C 2.361 177.090 174.700 0.048 0.000 1.039 130 T CA 1.028 63.149 62.100 0.036 0.000 1.150 130 T CB -0.450 68.461 68.868 0.071 0.000 0.864 130 T HN -0.033 nan 8.240 nan 0.000 0.427 131 V N 1.798 121.746 119.914 0.057 0.000 2.261 131 V HA -0.124 3.996 4.120 0.001 0.000 0.246 131 V C 2.565 178.679 176.094 0.035 0.000 1.047 131 V CA 1.519 63.858 62.300 0.066 0.000 1.015 131 V CB -0.841 31.032 31.823 0.084 0.000 0.642 131 V HN 0.430 nan 8.190 nan 0.000 0.446 132 L N -0.087 121.145 121.223 0.015 0.000 2.187 132 L HA -0.216 4.124 4.340 0.001 0.000 0.213 132 L C 2.687 179.537 176.870 -0.034 0.000 1.100 132 L CA 1.538 56.363 54.840 -0.024 0.000 0.765 132 L CB -0.567 41.471 42.059 -0.036 0.000 0.904 132 L HN 0.436 nan 8.230 nan 0.000 0.437 133 Q N 0.552 120.345 119.800 -0.012 0.000 2.062 133 Q HA -0.121 4.220 4.340 0.001 0.000 0.196 133 Q C 2.327 178.321 176.000 -0.009 0.000 0.967 133 Q CA 1.296 57.090 55.803 -0.016 0.000 0.832 133 Q CB 0.004 28.740 28.738 -0.003 0.000 0.899 133 Q HN 0.519 nan 8.270 nan 0.000 0.442 134 L N 0.301 121.533 121.223 0.015 0.000 2.046 134 L HA -0.131 4.209 4.340 0.001 0.000 0.208 134 L C 2.386 179.273 176.870 0.028 0.000 1.077 134 L CA 1.272 56.131 54.840 0.032 0.000 0.747 134 L CB -0.563 41.529 42.059 0.057 0.000 0.896 134 L HN 0.151 nan 8.230 nan 0.000 0.432 135 A N -0.959 121.875 122.820 0.023 0.000 2.206 135 A HA -0.115 4.206 4.320 0.001 0.000 0.211 135 A C 1.047 178.577 177.584 -0.090 0.000 1.158 135 A CA 0.536 52.586 52.037 0.020 0.000 0.761 135 A CB -0.397 18.641 19.000 0.065 0.000 0.801 135 A HN 0.596 nan 8.150 nan 0.000 0.473 136 N N -1.081 117.560 118.700 -0.099 0.000 2.740 136 N HA -0.140 4.600 4.740 0.001 0.000 0.248 136 N C -0.819 174.549 175.510 -0.236 0.000 1.062 136 N CA 0.941 53.903 53.050 -0.148 0.000 0.704 136 N CB -1.766 36.626 38.487 -0.157 0.000 0.968 136 N HN 0.160 nan 8.380 nan 0.000 0.547 137 V N 1.375 121.153 119.914 -0.226 0.000 2.350 137 V HA 0.275 4.395 4.120 0.001 0.000 0.276 137 V C 1.553 177.534 176.094 -0.188 0.000 1.028 137 V CA 0.262 62.390 62.300 -0.287 0.000 0.860 137 V CB 1.442 33.099 31.823 -0.277 0.000 0.990 137 V HN 0.503 nan 8.190 nan 0.000 0.453 138 S N 2.391 117.995 115.700 -0.159 0.000 2.439 138 S HA 0.154 4.625 4.470 0.001 0.000 0.224 138 S C 0.373 174.936 174.600 -0.061 0.000 1.029 138 S CA 0.091 58.237 58.200 -0.091 0.000 0.946 138 S CB 0.265 63.434 63.200 -0.053 0.000 0.797 138 S HN 0.716 nan 8.310 nan 0.000 0.504 139 D N 0.537 120.911 120.400 -0.043 0.000 2.879 139 D HA 0.510 5.151 4.640 0.001 0.000 0.236 139 D C -1.690 174.565 176.300 -0.075 0.000 1.171 139 D CA -0.351 53.676 54.000 0.045 0.000 0.868 139 D CB 2.710 43.692 40.800 0.303 0.000 1.598 139 D HN 0.034 nan 8.370 nan 0.000 0.497 140 V N 2.132 121.950 119.914 -0.160 0.000 2.407 140 V HA 0.217 4.338 4.120 0.001 0.000 0.291 140 V C 0.123 176.188 176.094 -0.049 0.000 1.018 140 V CA -0.754 61.407 62.300 -0.232 0.000 0.842 140 V CB 1.924 33.405 31.823 -0.570 0.000 0.996 140 V HN 0.313 nan 8.190 nan 0.000 0.426 141 V N 6.838 126.703 119.914 -0.082 0.000 2.498 141 V HA 0.409 4.530 4.120 0.001 0.000 0.279 141 V C 0.410 176.437 176.094 -0.111 0.000 1.048 141 V CA -0.124 62.138 62.300 -0.063 0.000 0.967 141 V CB 1.291 32.986 31.823 -0.213 0.000 0.988 141 V HN 0.816 nan 8.190 nan 0.000 0.473 142 M N 2.804 122.360 119.600 -0.075 0.000 2.527 142 M HA 0.449 4.929 4.480 0.001 0.000 0.283 142 M C -0.002 176.175 176.300 -0.205 0.000 1.188 142 M CA -0.367 54.811 55.300 -0.203 0.000 0.941 142 M CB 1.128 33.616 32.600 -0.186 0.000 1.498 142 M HN 0.436 nan 8.290 nan 0.000 0.510 143 T N 1.833 116.224 114.554 -0.272 0.000 2.893 143 T HA 0.347 4.698 4.350 0.001 0.000 0.324 143 T C -0.690 174.050 174.700 0.067 0.000 1.082 143 T CA -0.793 61.261 62.100 -0.077 0.000 0.983 143 T CB -0.116 68.714 68.868 -0.064 0.000 1.005 143 T HN 0.441 nan 8.240 nan 0.000 0.475 144 N N 3.301 122.069 118.700 0.112 0.000 2.469 144 N HA 0.215 4.956 4.740 0.001 0.000 0.253 144 N C -1.114 174.450 175.510 0.090 0.000 0.970 144 N CA -0.534 52.645 53.050 0.214 0.000 0.940 144 N CB 1.896 40.498 38.487 0.192 0.000 1.128 144 N HN 0.538 nan 8.380 nan 0.000 0.503 145 D N 2.830 123.328 120.400 0.163 0.000 2.454 145 D HA 0.215 4.855 4.640 0.001 0.000 0.225 145 D C -1.604 174.651 176.300 -0.075 0.000 1.081 145 D CA -2.182 51.881 54.000 0.106 0.000 0.864 145 D CB 1.351 42.301 40.800 0.250 0.000 1.040 145 D HN 0.245 nan 8.370 nan 0.000 0.517 146 P HA -0.055 nan 4.420 nan 0.000 0.242 146 P C 0.454 177.339 177.300 -0.692 0.000 1.198 146 P CA 0.387 62.877 63.100 -1.017 0.000 0.756 146 P CB -0.124 30.160 31.700 -2.359 0.000 0.911 147 F N -0.217 119.741 119.950 0.014 0.000 2.731 147 F HA 0.199 4.726 4.527 0.001 0.000 0.298 147 F C 0.982 176.908 175.800 0.210 0.000 1.106 147 F CA -0.301 57.840 58.000 0.235 0.000 1.329 147 F CB -0.210 38.917 39.000 0.212 0.000 1.100 147 F HN -0.117 nan 8.300 nan 0.000 0.592 148 D N 0.234 120.788 120.400 0.257 0.000 2.295 148 D HA 0.051 4.692 4.640 0.001 0.000 0.248 148 D C 0.910 177.314 176.300 0.174 0.000 1.154 148 D CA 0.010 54.139 54.000 0.216 0.000 0.857 148 D CB 0.697 41.612 40.800 0.193 0.000 1.117 148 D HN -0.069 nan 8.370 nan 0.000 0.468 149 D N 3.172 123.680 120.400 0.181 0.000 2.106 149 D HA -0.202 4.438 4.640 0.001 0.000 0.191 149 D C 1.327 177.694 176.300 0.111 0.000 0.997 149 D CA 1.035 55.128 54.000 0.155 0.000 0.834 149 D CB 0.006 40.897 40.800 0.152 0.000 0.956 149 D HN 0.489 nan 8.370 nan 0.000 0.448 150 N N 1.004 119.758 118.700 0.090 0.000 2.043 150 N HA -0.177 4.564 4.740 0.001 0.000 0.193 150 N C 1.807 177.353 175.510 0.059 0.000 1.037 150 N CA 0.833 53.914 53.050 0.052 0.000 0.851 150 N CB -0.479 38.023 38.487 0.025 0.000 1.027 150 N HN 0.412 nan 8.380 nan 0.000 0.422 151 E N 0.733 120.989 120.200 0.094 0.000 2.085 151 E HA -0.144 4.207 4.350 0.001 0.000 0.194 151 E C 2.085 178.870 176.600 0.308 0.000 0.994 151 E CA 0.704 57.210 56.400 0.177 0.000 0.801 151 E CB 0.060 29.895 29.700 0.225 0.000 0.743 151 E HN 0.217 nan 8.360 nan 0.000 0.453 152 R N 0.354 120.997 120.500 0.239 0.000 2.152 152 R HA -0.116 4.224 4.340 0.001 0.000 0.232 152 R C 2.213 178.656 176.300 0.238 0.000 1.117 152 R CA 0.900 57.169 56.100 0.281 0.000 0.981 152 R CB -0.118 30.239 30.300 0.095 0.000 0.870 152 R HN 0.217 nan 8.270 nan 0.000 0.451 153 I N 0.018 120.661 120.570 0.120 0.000 2.099 153 I HA -0.309 3.862 4.170 0.001 0.000 0.239 153 I C 2.186 178.297 176.117 -0.011 0.000 1.066 153 I CA 1.487 62.813 61.300 0.043 0.000 1.324 153 I CB -0.468 37.533 38.000 0.003 0.000 1.037 153 I HN 0.154 nan 8.210 nan 0.000 0.401 154 S N 0.177 115.818 115.700 -0.097 0.000 2.368 154 S HA -0.259 4.212 4.470 0.001 0.000 0.226 154 S C 1.628 176.052 174.600 -0.292 0.000 1.044 154 S CA 1.927 59.919 58.200 -0.346 0.000 1.062 154 S CB -0.666 62.127 63.200 -0.679 0.000 0.931 154 S HN 0.445 nan 8.310 nan 0.000 0.440 155 W N 1.597 122.907 121.300 0.017 0.000 2.358 155 W HA 0.023 4.684 4.660 0.001 0.000 0.303 155 W C 2.051 178.544 176.519 -0.042 0.000 1.208 155 W CA 0.389 57.772 57.345 0.064 0.000 1.274 155 W CB -0.544 29.087 29.460 0.285 0.000 1.138 155 W HN 0.224 nan 8.180 nan 0.000 0.515 156 L N -0.047 121.278 121.223 0.169 0.000 2.291 156 L HA -0.120 4.221 4.340 0.001 0.000 0.214 156 L C 1.786 178.642 176.870 -0.022 0.000 1.120 156 L CA 1.127 55.981 54.840 0.023 0.000 0.799 156 L CB -0.623 41.441 42.059 0.009 0.000 0.925 156 L HN 0.066 nan 8.230 nan 0.000 0.446 157 E N -0.158 120.015 120.200 -0.046 0.000 2.502 157 E HA 0.018 4.369 4.350 0.001 0.000 0.194 157 E C 1.393 177.933 176.600 -0.099 0.000 1.062 157 E CA 0.474 56.824 56.400 -0.083 0.000 0.867 157 E CB 0.227 29.857 29.700 -0.118 0.000 0.888 157 E HN 0.537 nan 8.360 nan 0.000 0.510 158 G N 2.054 110.802 108.800 -0.085 0.000 2.175 158 G HA2 -0.291 3.669 3.960 0.001 0.000 0.244 158 G HA3 -0.291 3.669 3.960 0.001 0.000 0.244 158 G C 0.035 174.846 174.900 -0.148 0.000 0.982 158 G CA -0.132 44.920 45.100 -0.080 0.000 0.641 158 G HN 0.155 nan 8.290 nan 0.000 0.527 159 K N 0.911 121.140 120.400 -0.286 0.000 2.412 159 K HA 0.371 4.692 4.320 0.001 0.000 0.281 159 K C 0.196 176.520 176.600 -0.460 0.000 1.027 159 K CA 0.313 56.331 56.287 -0.448 0.000 0.989 159 K CB 0.431 32.480 32.500 -0.751 0.000 0.935 159 K HN 0.234 nan 8.250 nan 0.000 0.475 160 Q N 2.991 122.627 119.800 -0.274 0.000 2.377 160 Q HA 0.398 4.739 4.340 0.001 0.000 0.271 160 Q C -2.349 173.656 176.000 0.009 0.000 1.077 160 Q CA -2.132 53.611 55.803 -0.099 0.000 0.820 160 Q CB 1.788 30.524 28.738 -0.004 0.000 1.347 160 Q HN 0.465 nan 8.270 nan 0.000 0.444 161 P HA 0.070 nan 4.420 nan 0.000 0.276 161 P C -0.785 176.578 177.300 0.106 0.000 1.244 161 P CA -0.357 62.857 63.100 0.190 0.000 0.801 161 P CB 0.727 32.535 31.700 0.180 0.000 1.006 162 D N -0.929 119.534 120.400 0.105 0.000 2.357 162 D HA 0.005 4.646 4.640 0.001 0.000 0.242 162 D C 1.310 177.667 176.300 0.096 0.000 1.153 162 D CA -0.438 53.620 54.000 0.097 0.000 0.918 162 D CB 0.140 41.003 40.800 0.104 0.000 1.181 162 D HN 0.254 nan 8.370 nan 0.000 0.435 163 S N 1.017 116.735 115.700 0.029 0.000 2.461 163 S HA -0.322 4.148 4.470 0.001 0.000 0.249 163 S C 1.537 176.090 174.600 -0.079 0.000 1.012 163 S CA 0.899 59.075 58.200 -0.040 0.000 0.982 163 S CB -0.508 62.678 63.200 -0.023 0.000 0.764 163 S HN 0.580 nan 8.310 nan 0.000 0.506 164 R N -0.557 119.955 120.500 0.019 0.000 2.200 164 R HA 0.295 4.636 4.340 0.001 0.000 0.208 164 R C -0.416 175.747 176.300 -0.230 0.000 1.033 164 R CA 0.397 56.459 56.100 -0.063 0.000 1.000 164 R CB 0.011 30.268 30.300 -0.072 0.000 0.906 164 R HN 0.441 nan 8.270 nan 0.000 0.462 165 F N 0.077 119.960 119.950 -0.111 0.000 2.436 165 F HA 0.309 4.836 4.527 0.001 0.000 0.340 165 F C 0.091 175.771 175.800 -0.200 0.000 1.113 165 F CA -1.046 56.919 58.000 -0.058 0.000 1.022 165 F CB 1.383 40.355 39.000 -0.048 0.000 1.128 165 F HN -0.090 nan 8.300 nan 0.000 0.466 166 H N 0.804 120.002 119.070 0.214 0.000 2.569 166 H HA 0.713 5.270 4.556 0.001 0.000 0.357 166 H C -0.476 174.934 175.328 0.137 0.000 1.153 166 H CA -1.012 55.159 56.048 0.205 0.000 1.193 166 H CB 1.496 31.413 29.762 0.260 0.000 1.602 166 H HN 0.729 nan 8.280 nan 0.000 0.523 167 A N 1.371 124.342 122.820 0.252 0.000 2.302 167 A HA 0.781 5.102 4.320 0.001 0.000 0.285 167 A C -0.471 177.081 177.584 -0.054 0.000 1.105 167 A CA -0.057 52.067 52.037 0.145 0.000 0.816 167 A CB 0.234 19.351 19.000 0.195 0.000 1.067 167 A HN 0.819 nan 8.150 nan 0.000 0.489 168 A N 1.242 123.980 122.820 -0.136 0.000 2.402 168 A HA 0.553 4.874 4.320 0.001 0.000 0.291 168 A C -1.045 176.464 177.584 -0.124 0.000 1.051 168 A CA -0.480 51.375 52.037 -0.304 0.000 0.716 168 A CB 0.894 19.576 19.000 -0.530 0.000 1.223 168 A HN 1.419 nan 8.150 nan 0.000 0.425 169 L N 2.786 123.956 121.223 -0.088 0.000 2.363 169 L HA 0.371 4.712 4.340 0.001 0.000 0.286 169 L C 0.716 177.621 176.870 0.059 0.000 1.106 169 L CA 0.165 54.974 54.840 -0.052 0.000 0.859 169 L CB 0.042 42.061 42.059 -0.067 0.000 1.223 169 L HN 0.703 nan 8.230 nan 0.000 0.446 170 R N 5.046 125.597 120.500 0.084 0.000 2.267 170 R HA 0.288 4.628 4.340 0.001 0.000 0.319 170 R C -0.194 176.242 176.300 0.227 0.000 1.067 170 R CA -0.183 56.018 56.100 0.167 0.000 0.936 170 R CB 0.430 30.846 30.300 0.192 0.000 1.006 170 R HN 0.872 nan 8.270 nan 0.000 0.452 171 L N 3.797 125.156 121.223 0.226 0.000 2.959 171 L HA 0.161 4.501 4.340 0.001 0.000 0.259 171 L C 0.569 177.507 176.870 0.113 0.000 1.185 171 L CA -0.326 54.668 54.840 0.256 0.000 0.998 171 L CB 0.432 42.626 42.059 0.225 0.000 1.337 171 L HN 0.669 nan 8.230 nan 0.000 0.555 172 D N 1.625 122.081 120.400 0.093 0.000 2.154 172 D HA -0.201 4.440 4.640 0.001 0.000 0.190 172 D C -0.689 175.554 176.300 -0.095 0.000 1.003 172 D CA 1.784 55.801 54.000 0.030 0.000 0.849 172 D CB -1.135 39.707 40.800 0.071 0.000 0.942 172 D HN 0.230 nan 8.370 nan 0.000 0.446 173 P HA -0.107 nan 4.420 nan 0.000 0.216 173 P C 1.600 178.596 177.300 -0.507 0.000 1.150 173 P CA 0.686 63.481 63.100 -0.509 0.000 0.837 173 P CB 0.046 31.152 31.700 -0.990 0.000 0.786 174 L N -1.627 119.278 121.223 -0.532 0.000 2.056 174 L HA -0.091 4.249 4.340 0.001 0.000 0.207 174 L C 1.932 178.792 176.870 -0.018 0.000 1.078 174 L CA 1.949 56.688 54.840 -0.168 0.000 0.749 174 L CB -1.197 40.899 42.059 0.062 0.000 0.901 174 L HN -0.155 nan 8.230 nan 0.000 0.433 175 L N -0.358 120.850 121.223 -0.026 0.000 2.162 175 L HA 0.015 4.356 4.340 0.001 0.000 0.205 175 L C 1.982 178.857 176.870 0.009 0.000 1.086 175 L CA 1.176 56.014 54.840 -0.004 0.000 0.778 175 L CB -0.874 41.214 42.059 0.049 0.000 0.928 175 L HN 0.327 nan 8.230 nan 0.000 0.446 176 N N -0.469 118.234 118.700 0.005 0.000 2.325 176 N HA 0.026 4.766 4.740 0.001 0.000 0.182 176 N C 0.127 175.642 175.510 0.008 0.000 1.088 176 N CA 0.317 53.380 53.050 0.021 0.000 0.879 176 N CB 0.365 38.872 38.487 0.034 0.000 0.983 176 N HN 0.415 nan 8.380 nan 0.000 0.471 177 E N -0.562 119.626 120.200 -0.021 0.000 3.729 177 E HA 0.081 4.431 4.350 0.001 0.000 0.195 177 E C -0.146 176.430 176.600 -0.040 0.000 1.005 177 E CA -0.263 56.117 56.400 -0.032 0.000 1.356 177 E CB 0.150 29.811 29.700 -0.065 0.000 1.138 177 E HN 0.094 nan 8.360 nan 0.000 0.450 178 Y N 2.217 122.439 120.300 -0.131 0.000 2.151 178 Y HA -0.261 4.289 4.550 0.001 0.000 0.284 178 Y C 2.015 177.835 175.900 -0.133 0.000 1.166 178 Y CA 1.795 59.809 58.100 -0.144 0.000 1.163 178 Y CB 0.345 38.716 38.460 -0.149 0.000 0.974 178 Y HN 0.093 nan 8.280 nan 0.000 0.511 179 E N 0.086 120.209 120.200 -0.128 0.000 2.171 179 E HA -0.249 4.102 4.350 0.001 0.000 0.197 179 E C 1.972 178.438 176.600 -0.223 0.000 0.997 179 E CA 1.772 58.058 56.400 -0.190 0.000 0.810 179 E CB -0.201 29.468 29.700 -0.051 0.000 0.738 179 E HN 0.655 nan 8.360 nan 0.000 0.467 180 Q N -0.895 118.819 119.800 -0.143 0.000 2.204 180 Q HA 0.059 4.399 4.340 0.001 0.000 0.198 180 Q C 2.155 178.072 176.000 -0.138 0.000 0.946 180 Q CA 1.232 57.004 55.803 -0.052 0.000 0.859 180 Q CB -0.154 28.568 28.738 -0.027 0.000 0.946 180 Q HN 0.106 nan 8.270 nan 0.000 0.474 181 T N 1.912 116.320 114.554 -0.244 0.000 2.867 181 T HA -0.142 4.208 4.350 0.001 0.000 0.268 181 T C 1.553 176.021 174.700 -0.386 0.000 1.057 181 T CA 1.397 63.333 62.100 -0.275 0.000 1.136 181 T CB -0.167 68.528 68.868 -0.289 0.000 0.874 181 T HN 0.417 nan 8.240 nan 0.000 0.466 182 K N 1.042 121.037 120.400 -0.674 0.000 2.113 182 K HA -0.240 4.081 4.320 0.001 0.000 0.208 182 K C 1.844 178.171 176.600 -0.455 0.000 1.047 182 K CA 1.690 57.539 56.287 -0.729 0.000 0.928 182 K CB -0.575 31.306 32.500 -1.032 0.000 0.716 182 K HN 0.392 nan 8.250 nan 0.000 0.446 183 H N 1.293 120.201 119.070 -0.269 0.000 2.353 183 H HA 0.004 4.561 4.556 0.001 0.000 0.300 183 H C 2.247 177.409 175.328 -0.276 0.000 1.090 183 H CA 1.592 57.516 56.048 -0.208 0.000 1.327 183 H CB -0.110 29.553 29.762 -0.166 0.000 1.383 183 H HN 0.340 nan 8.280 nan 0.000 0.508 184 R N 0.256 120.589 120.500 -0.279 0.000 2.115 184 R HA -0.014 4.327 4.340 0.001 0.000 0.230 184 R C 2.580 178.320 176.300 -0.934 0.000 1.111 184 R CA 0.475 56.166 56.100 -0.681 0.000 0.976 184 R CB -0.092 29.758 30.300 -0.750 0.000 0.870 184 R HN 0.217 nan 8.270 nan 0.000 0.445 185 L N 0.974 121.928 121.223 -0.450 0.000 1.988 185 L HA -0.181 4.159 4.340 0.001 0.000 0.207 185 L C 2.683 179.634 176.870 0.134 0.000 1.071 185 L CA 1.600 56.406 54.840 -0.057 0.000 0.744 185 L CB -0.516 41.535 42.059 -0.012 0.000 0.893 185 L HN 0.232 nan 8.230 nan 0.000 0.433 186 R N -0.161 120.359 120.500 0.033 0.000 2.193 186 R HA -0.200 4.141 4.340 0.001 0.000 0.229 186 R C 1.453 177.777 176.300 0.040 0.000 1.110 186 R CA 1.920 58.061 56.100 0.069 0.000 0.988 186 R CB -0.749 29.573 30.300 0.036 0.000 0.871 186 R HN 0.316 nan 8.270 nan 0.000 0.458 187 D N -0.148 120.213 120.400 -0.066 0.000 2.219 187 D HA -0.110 4.530 4.640 0.001 0.000 0.205 187 D C 0.579 176.937 176.300 0.096 0.000 0.970 187 D CA 0.829 54.784 54.000 -0.075 0.000 0.851 187 D CB 0.121 40.764 40.800 -0.262 0.000 0.943 187 D HN 0.342 nan 8.370 nan 0.000 0.488 188 W N -0.268 121.135 121.300 0.172 0.000 3.330 188 W HA 0.453 5.114 4.660 0.001 0.000 0.348 188 W C 1.332 177.822 176.519 -0.049 0.000 1.205 188 W CA 0.475 57.916 57.345 0.160 0.000 1.841 188 W CB -0.118 29.570 29.460 0.380 0.000 1.084 188 W HN 0.088 nan 8.180 nan 0.000 0.665 189 G N -0.096 108.766 108.800 0.102 0.000 2.176 189 G HA2 -0.302 3.659 3.960 0.001 0.000 0.232 189 G HA3 -0.302 3.659 3.960 0.001 0.000 0.232 189 G C -0.422 174.352 174.900 -0.210 0.000 0.986 189 G CA -0.438 44.603 45.100 -0.100 0.000 0.643 189 G HN 0.191 nan 8.290 nan 0.000 0.522 190 Y N 1.548 121.979 120.300 0.218 0.000 2.594 190 Y HA 0.489 5.040 4.550 0.001 0.000 0.342 190 Y C 0.736 176.709 175.900 0.121 0.000 1.010 190 Y CA -1.074 57.144 58.100 0.197 0.000 1.270 190 Y CB 1.073 39.703 38.460 0.283 0.000 1.125 190 Y HN -0.115 nan 8.280 nan 0.000 0.513 191 K N 3.373 123.880 120.400 0.179 0.000 2.652 191 K HA 0.096 4.417 4.320 0.001 0.000 0.239 191 K C -0.150 176.515 176.600 0.108 0.000 1.235 191 K CA -0.173 56.182 56.287 0.113 0.000 1.191 191 K CB -1.229 31.313 32.500 0.070 0.000 1.348 191 K HN 0.467 nan 8.250 nan 0.000 0.239 192 V N -0.738 119.253 119.914 0.128 0.000 2.649 192 V HA 0.279 4.399 4.120 0.001 0.000 0.292 192 V C 0.255 176.396 176.094 0.079 0.000 1.055 192 V CA -1.052 61.319 62.300 0.118 0.000 1.023 192 V CB 0.664 32.606 31.823 0.198 0.000 0.992 192 V HN 0.319 nan 8.190 nan 0.000 0.480 193 N N 2.805 121.548 118.700 0.072 0.000 2.447 193 N HA 0.311 5.052 4.740 0.001 0.000 0.271 193 N C 0.548 176.109 175.510 0.085 0.000 1.226 193 N CA -0.467 52.619 53.050 0.060 0.000 0.980 193 N CB 0.444 38.956 38.487 0.042 0.000 1.206 193 N HN 0.718 nan 8.380 nan 0.000 0.558 194 D N -0.072 120.367 120.400 0.065 0.000 2.144 194 D HA -0.112 4.528 4.640 0.001 0.000 0.200 194 D C 0.208 176.585 176.300 0.128 0.000 0.978 194 D CA 1.144 55.184 54.000 0.067 0.000 0.833 194 D CB -0.045 40.786 40.800 0.051 0.000 0.961 194 D HN 0.705 nan 8.370 nan 0.000 0.470 195 E N -0.355 119.921 120.200 0.125 0.000 2.283 195 E HA 0.040 4.390 4.350 0.001 0.000 0.271 195 E C -0.363 176.377 176.600 0.233 0.000 1.031 195 E CA -0.867 55.632 56.400 0.164 0.000 0.868 195 E CB 1.026 30.791 29.700 0.108 0.000 1.094 195 E HN 0.082 nan 8.360 nan 0.000 0.401 196 W N 5.350 126.679 121.300 0.049 0.000 2.497 196 W HA 0.088 4.749 4.660 0.000 0.000 0.354 196 W C -1.168 175.367 176.519 0.027 0.000 1.111 196 W CA -0.414 56.953 57.345 0.037 0.000 1.510 196 W CB 0.167 29.633 29.460 0.010 0.000 1.466 196 W HN 0.758 nan 8.180 nan 0.000 0.409 197 N N 1.383 119.906 118.700 -0.295 0.000 3.091 197 N HA 0.152 4.893 4.740 0.001 0.000 0.329 197 N C 0.565 175.840 175.510 -0.392 0.000 1.430 197 N CA -0.552 52.344 53.050 -0.255 0.000 0.755 197 N CB 0.249 38.673 38.487 -0.105 0.000 1.626 197 N HN 0.105 nan 8.380 nan 0.000 0.614 198 E N -0.465 119.599 120.200 -0.226 0.000 2.118 198 E HA -0.050 4.300 4.350 0.001 0.000 0.195 198 E C 1.689 178.172 176.600 -0.196 0.000 0.992 198 E CA 2.097 58.379 56.400 -0.196 0.000 0.804 198 E CB -0.956 28.684 29.700 -0.099 0.000 0.741 198 E HN 0.741 nan 8.360 nan 0.000 0.458 199 G N -0.560 108.146 108.800 -0.155 0.000 2.433 199 G HA2 -0.269 3.692 3.960 0.001 0.000 0.216 199 G HA3 -0.269 3.692 3.960 0.001 0.000 0.216 199 G C 1.837 176.652 174.900 -0.142 0.000 1.186 199 G CA 1.078 46.115 45.100 -0.105 0.000 0.779 199 G HN 0.341 nan 8.290 nan 0.000 0.543 200 S N 0.649 116.204 115.700 -0.241 0.000 2.370 200 S HA -0.074 4.397 4.470 0.001 0.000 0.226 200 S C 2.285 176.614 174.600 -0.452 0.000 1.033 200 S CA 1.044 59.076 58.200 -0.280 0.000 1.011 200 S CB -0.261 62.741 63.200 -0.330 0.000 0.852 200 S HN 0.381 nan 8.310 nan 0.000 0.457 201 I N 1.630 121.754 120.570 -0.745 0.000 2.163 201 I HA -0.234 3.936 4.170 0.001 0.000 0.243 201 I C 2.718 178.742 176.117 -0.156 0.000 1.085 201 I CA 1.140 62.116 61.300 -0.541 0.000 1.347 201 I CB -0.391 37.338 38.000 -0.450 0.000 1.044 201 I HN 0.262 nan 8.210 nan 0.000 0.408 202 Q N 0.423 120.156 119.800 -0.113 0.000 2.124 202 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 202 Q C 2.118 178.157 176.000 0.066 0.000 0.977 202 Q CA 1.312 57.111 55.803 -0.007 0.000 0.850 202 Q CB -0.335 28.399 28.738 -0.006 0.000 0.901 202 Q HN 0.515 nan 8.270 nan 0.000 0.429 203 E N 0.104 120.352 120.200 0.079 0.000 2.072 203 E HA -0.080 4.270 4.350 0.001 0.000 0.191 203 E C 2.236 178.970 176.600 0.224 0.000 0.985 203 E CA 0.628 57.152 56.400 0.206 0.000 0.801 203 E CB -0.119 29.714 29.700 0.221 0.000 0.750 203 E HN 0.125 nan 8.360 nan 0.000 0.452 204 V N 1.725 121.740 119.914 0.169 0.000 2.407 204 V HA -0.246 3.875 4.120 0.001 0.000 0.248 204 V C 2.217 178.431 176.094 0.201 0.000 1.055 204 V CA 1.696 64.119 62.300 0.205 0.000 1.049 204 V CB -0.371 31.614 31.823 0.270 0.000 0.662 204 V HN 0.218 nan 8.190 nan 0.000 0.455 205 K N -0.276 120.209 120.400 0.142 0.000 2.057 205 K HA -0.164 4.157 4.320 0.001 0.000 0.206 205 K C 2.417 179.081 176.600 0.108 0.000 1.050 205 K CA 1.276 57.627 56.287 0.106 0.000 0.935 205 K CB -0.238 32.307 32.500 0.077 0.000 0.715 205 K HN 0.279 nan 8.250 nan 0.000 0.439 206 R N 0.276 120.866 120.500 0.151 0.000 2.081 206 R HA -0.154 4.187 4.340 0.001 0.000 0.235 206 R C 2.222 178.614 176.300 0.153 0.000 1.131 206 R CA 1.483 57.697 56.100 0.190 0.000 0.960 206 R CB -0.295 30.190 30.300 0.309 0.000 0.856 206 R HN 0.166 nan 8.270 nan 0.000 0.436 207 F N 1.360 121.215 119.950 -0.159 0.000 2.069 207 F HA -0.232 4.296 4.527 0.001 0.000 0.298 207 F C 1.845 177.627 175.800 -0.031 0.000 1.113 207 F CA 1.620 59.334 58.000 -0.477 0.000 1.214 207 F CB -0.378 38.264 39.000 -0.597 0.000 0.978 207 F HN -0.033 nan 8.300 nan 0.000 0.474 208 L N -0.468 120.790 121.223 0.059 0.000 2.012 208 L HA -0.256 4.085 4.340 0.001 0.000 0.210 208 L C 2.380 179.173 176.870 -0.128 0.000 1.073 208 L CA 1.943 56.763 54.840 -0.033 0.000 0.748 208 L CB -1.323 40.754 42.059 0.030 0.000 0.891 208 L HN 0.185 nan 8.230 nan 0.000 0.431 209 T N -1.003 113.489 114.554 -0.104 0.000 2.746 209 T HA -0.169 4.181 4.350 0.001 0.000 0.267 209 T C 1.464 176.098 174.700 -0.110 0.000 1.039 209 T CA 1.446 63.471 62.100 -0.126 0.000 1.142 209 T CB -0.261 68.597 68.868 -0.018 0.000 0.866 209 T HN 0.315 nan 8.240 nan 0.000 0.444 210 D N 0.180 120.507 120.400 -0.121 0.000 2.123 210 D HA -0.088 4.552 4.640 0.001 0.000 0.196 210 D C 1.692 177.755 176.300 -0.395 0.000 0.992 210 D CA 0.990 54.858 54.000 -0.221 0.000 0.833 210 D CB -0.328 40.352 40.800 -0.201 0.000 0.954 210 D HN 0.556 nan 8.370 nan 0.000 0.455 211 W N 0.862 121.932 121.300 -0.383 0.000 2.467 211 W HA 0.128 4.788 4.660 0.001 0.000 0.275 211 W C 2.348 178.666 176.519 -0.335 0.000 1.239 211 W CA -0.027 57.057 57.345 -0.436 0.000 1.266 211 W CB -0.247 28.830 29.460 -0.638 0.000 1.112 211 W HN -0.078 nan 8.180 nan 0.000 0.576 212 I N -0.004 120.515 120.570 -0.085 0.000 2.252 212 I HA -0.266 3.904 4.170 0.001 0.000 0.245 212 I C 2.425 178.508 176.117 -0.058 0.000 1.102 212 I CA 1.518 62.764 61.300 -0.090 0.000 1.385 212 I CB -0.418 37.479 38.000 -0.173 0.000 1.064 212 I HN 0.029 nan 8.210 nan 0.000 0.414 213 E N 1.055 121.212 120.200 -0.072 0.000 2.106 213 E HA -0.251 4.099 4.350 0.001 0.000 0.192 213 E C 2.360 178.917 176.600 -0.072 0.000 0.984 213 E CA 0.922 57.294 56.400 -0.046 0.000 0.806 213 E CB 0.088 29.756 29.700 -0.053 0.000 0.750 213 E HN 0.288 nan 8.360 nan 0.000 0.458 214 R N -0.546 119.858 120.500 -0.161 0.000 2.119 214 R HA 0.027 4.367 4.340 0.001 0.000 0.222 214 R C 2.027 178.291 176.300 -0.060 0.000 1.088 214 R CA 1.031 57.038 56.100 -0.155 0.000 0.984 214 R CB 0.137 30.190 30.300 -0.412 0.000 0.884 214 R HN 0.234 nan 8.270 nan 0.000 0.447 215 M N -0.677 118.826 119.600 -0.161 0.000 2.514 215 M HA 0.049 4.530 4.480 0.001 0.000 0.258 215 M C -0.146 176.151 176.300 -0.004 0.000 1.159 215 M CA 0.200 55.352 55.300 -0.246 0.000 1.116 215 M CB 0.533 32.828 32.600 -0.507 0.000 1.333 215 M HN -0.026 nan 8.290 nan 0.000 0.487 216 D N 2.003 122.407 120.400 0.007 0.000 2.737 216 D HA -0.094 4.546 4.640 0.001 0.000 0.238 216 D C -2.315 174.025 176.300 0.066 0.000 1.157 216 D CA 0.114 54.148 54.000 0.056 0.000 0.694 216 D CB -0.198 40.659 40.800 0.095 0.000 1.021 216 D HN 0.180 nan 8.370 nan 0.000 0.420 217 P HA 0.075 nan 4.420 nan 0.000 0.275 217 P C 1.365 178.665 177.300 -0.000 0.000 1.228 217 P CA -0.271 62.816 63.100 -0.020 0.000 0.786 217 P CB 1.407 33.057 31.700 -0.083 0.000 0.927 218 V N -0.340 119.548 119.914 -0.044 0.000 3.041 218 V HA 0.033 4.154 4.120 0.001 0.000 0.260 218 V C 0.448 176.567 176.094 0.042 0.000 1.105 218 V CA 1.011 63.316 62.300 0.009 0.000 1.125 218 V CB -1.954 29.906 31.823 0.061 0.000 0.730 218 V HN 0.674 nan 8.190 nan 0.000 0.479 219 Y N -3.586 116.741 120.300 0.045 0.000 2.732 219 Y HA 0.735 5.286 4.550 0.001 0.000 0.342 219 Y C -1.114 174.806 175.900 0.033 0.000 1.203 219 Y CA -2.525 55.589 58.100 0.024 0.000 1.092 219 Y CB 0.653 39.125 38.460 0.020 0.000 1.345 219 Y HN -0.046 nan 8.280 nan 0.000 0.458 220 M N 2.250 122.060 119.600 0.349 0.000 2.404 220 M HA 0.867 5.348 4.480 0.001 0.000 0.338 220 M C -0.490 176.069 176.300 0.432 0.000 1.150 220 M CA -0.735 54.730 55.300 0.276 0.000 1.016 220 M CB 2.076 34.760 32.600 0.140 0.000 1.672 220 M HN 0.948 nan 8.290 nan 0.000 0.448 221 A N 2.047 125.072 122.820 0.341 0.000 2.566 221 A HA 0.949 5.270 4.320 0.001 0.000 0.292 221 A C -1.708 175.985 177.584 0.182 0.000 1.112 221 A CA -0.748 51.426 52.037 0.229 0.000 0.707 221 A CB 2.125 21.227 19.000 0.171 0.000 1.302 221 A HN 0.664 nan 8.150 nan 0.000 0.409 222 V N 0.514 120.453 119.914 0.043 0.000 3.147 222 V HA 0.728 4.849 4.120 0.001 0.000 0.299 222 V C -0.695 175.349 176.094 -0.083 0.000 1.302 222 V CA 0.171 62.493 62.300 0.038 0.000 1.015 222 V CB 2.561 34.453 31.823 0.115 0.000 1.086 222 V HN 1.777 nan 8.190 nan 0.000 0.437 223 S N 6.159 121.860 115.700 0.001 0.000 2.475 223 S HA 0.887 5.358 4.470 0.001 0.000 0.298 223 S C -0.923 173.694 174.600 0.028 0.000 1.119 223 S CA -0.672 57.551 58.200 0.038 0.000 1.085 223 S CB 1.379 64.721 63.200 0.237 0.000 1.028 223 S HN 0.730 nan 8.310 nan 0.000 0.489 224 L N 2.815 124.032 121.223 -0.009 0.000 2.354 224 L HA 0.675 5.015 4.340 0.001 0.000 0.264 224 L C -2.359 174.556 176.870 0.074 0.000 1.008 224 L CA -2.668 52.147 54.840 -0.042 0.000 0.819 224 L CB 2.461 44.304 42.059 -0.359 0.000 1.339 224 L HN 0.482 nan 8.230 nan 0.000 0.420 225 P HA 0.218 nan 4.420 nan 0.000 0.276 225 P C -2.470 174.901 177.300 0.118 0.000 1.252 225 P CA -1.640 61.526 63.100 0.110 0.000 0.802 225 P CB 0.551 32.316 31.700 0.108 0.000 1.035 226 P HA -0.104 nan 4.420 nan 0.000 0.221 226 P C 1.251 178.597 177.300 0.076 0.000 1.145 226 P CA 1.879 65.007 63.100 0.047 0.000 0.795 226 P CB -0.569 31.120 31.700 -0.019 0.000 0.775 227 T N -5.046 109.560 114.554 0.087 0.000 3.169 227 T HA 0.050 4.401 4.350 0.001 0.000 0.250 227 T C 0.373 175.136 174.700 0.104 0.000 1.111 227 T CA -0.480 61.662 62.100 0.070 0.000 1.010 227 T CB -1.161 67.736 68.868 0.048 0.000 0.984 227 T HN -0.128 nan 8.240 nan 0.000 0.537 228 F N 4.316 124.278 119.950 0.020 0.000 2.623 228 F HA 0.358 4.886 4.527 0.001 0.000 0.383 228 F C 0.412 176.233 175.800 0.035 0.000 1.077 228 F CA -0.343 57.677 58.000 0.033 0.000 1.268 228 F CB 0.236 39.258 39.000 0.037 0.000 1.053 228 F HN 0.344 nan 8.300 nan 0.000 0.571 229 S N 6.097 121.290 115.700 -0.845 0.000 2.579 229 S HA 0.786 5.256 4.470 0.001 0.000 0.272 229 S C -1.406 172.738 174.600 -0.760 0.000 1.141 229 S CA -0.838 56.942 58.200 -0.700 0.000 0.843 229 S CB 2.035 65.047 63.200 -0.313 0.000 1.122 229 S HN 0.827 nan 8.310 nan 0.000 0.468 230 F N 1.116 120.682 119.950 -0.641 0.000 2.639 230 F HA 0.638 5.165 4.527 0.001 0.000 0.320 230 F C -3.032 172.490 175.800 -0.464 0.000 1.128 230 F CA -1.284 56.446 58.000 -0.450 0.000 1.037 230 F CB 1.654 40.461 39.000 -0.322 0.000 1.288 230 F HN 0.532 nan 8.300 nan 0.000 0.463 231 P HA 0.283 nan 4.420 nan 0.000 0.271 231 P C -1.656 175.221 177.300 -0.705 0.000 1.244 231 P CA -0.028 62.277 63.100 -1.325 0.000 0.793 231 P CB 0.646 31.819 31.700 -0.878 0.000 0.984 232 E N 0.084 119.933 120.200 -0.584 0.000 2.388 232 E HA 0.106 4.457 4.350 0.001 0.000 0.289 232 E C -1.157 175.298 176.600 -0.243 0.000 0.944 232 E CA -0.474 55.733 56.400 -0.323 0.000 0.792 232 E CB 0.968 30.521 29.700 -0.245 0.000 1.239 232 E HN 0.190 nan 8.360 nan 0.000 0.412 233 E N 2.313 122.406 120.200 -0.178 0.000 1.814 233 E HA 0.221 4.571 4.350 0.001 0.000 0.264 233 E C -0.978 175.546 176.600 -0.126 0.000 1.179 233 E CA 0.188 56.504 56.400 -0.140 0.000 0.972 233 E CB 0.501 30.141 29.700 -0.100 0.000 1.077 233 E HN 0.514 nan 8.360 nan 0.000 0.417 234 S N 0.917 116.524 115.700 -0.155 0.000 2.611 234 S HA 0.282 4.753 4.470 0.001 0.000 0.268 234 S C 0.665 175.125 174.600 -0.233 0.000 1.156 234 S CA -0.855 57.260 58.200 -0.143 0.000 0.817 234 S CB 0.712 63.857 63.200 -0.092 0.000 1.122 234 S HN 0.306 nan 8.310 nan 0.000 0.466 235 N N 0.634 119.194 118.700 -0.233 0.000 2.043 235 N HA -0.143 4.598 4.740 0.001 0.000 0.193 235 N C 2.018 177.295 175.510 -0.389 0.000 1.037 235 N CA 1.319 54.124 53.050 -0.409 0.000 0.851 235 N CB -0.263 38.086 38.487 -0.229 0.000 1.027 235 N HN 0.591 nan 8.380 nan 0.000 0.422 236 R N 0.852 121.251 120.500 -0.169 0.000 2.083 236 R HA -0.129 4.212 4.340 0.001 0.000 0.237 236 R C 2.281 178.585 176.300 0.006 0.000 1.137 236 R CA 1.810 57.880 56.100 -0.049 0.000 0.951 236 R CB -0.578 29.777 30.300 0.091 0.000 0.851 236 R HN 0.268 nan 8.270 nan 0.000 0.434 237 G N 0.543 109.336 108.800 -0.011 0.000 2.421 237 G HA2 -0.256 3.705 3.960 0.001 0.000 0.216 237 G HA3 -0.256 3.705 3.960 0.001 0.000 0.216 237 G C 1.490 176.368 174.900 -0.036 0.000 1.171 237 G CA 0.632 45.739 45.100 0.012 0.000 0.775 237 G HN 0.336 nan 8.290 nan 0.000 0.543 238 R N -0.224 120.139 120.500 -0.227 0.000 2.092 238 R HA 0.121 4.461 4.340 0.001 0.000 0.231 238 R C 2.580 178.753 176.300 -0.211 0.000 1.119 238 R CA 0.876 56.809 56.100 -0.277 0.000 0.970 238 R CB -0.316 29.573 30.300 -0.685 0.000 0.864 238 R HN 0.387 nan 8.270 nan 0.000 0.440 239 I N 0.533 120.877 120.570 -0.378 0.000 2.252 239 I HA -0.244 3.926 4.170 0.001 0.000 0.245 239 I C 2.217 178.320 176.117 -0.024 0.000 1.102 239 I CA 1.239 62.412 61.300 -0.212 0.000 1.385 239 I CB -0.191 37.602 38.000 -0.344 0.000 1.064 239 I HN 0.113 nan 8.210 nan 0.000 0.414 240 I N 0.423 121.002 120.570 0.015 0.000 2.179 240 I HA -0.290 3.880 4.170 0.001 0.000 0.242 240 I C 2.835 178.980 176.117 0.046 0.000 1.088 240 I CA 1.300 62.602 61.300 0.003 0.000 1.357 240 I CB -0.394 37.684 38.000 0.130 0.000 1.051 240 I HN 0.213 nan 8.210 nan 0.000 0.409 241 R N 1.016 121.663 120.500 0.244 0.000 2.061 241 R HA -0.172 4.169 4.340 0.001 0.000 0.230 241 R C 1.724 178.143 176.300 0.198 0.000 1.140 241 R CA 2.046 58.316 56.100 0.283 0.000 0.940 241 R CB -0.155 30.342 30.300 0.328 0.000 0.839 241 R HN 0.277 nan 8.270 nan 0.000 0.429 242 D N -0.696 119.836 120.400 0.220 0.000 2.277 242 D HA -0.041 4.600 4.640 0.001 0.000 0.208 242 D C 1.546 177.954 176.300 0.179 0.000 0.962 242 D CA 0.875 55.017 54.000 0.236 0.000 0.865 242 D CB 0.251 41.279 40.800 0.379 0.000 0.939 242 D HN 0.346 nan 8.370 nan 0.000 0.510 243 C N -0.368 119.023 119.300 0.152 0.000 2.605 243 C HA 0.199 4.659 4.460 0.001 0.000 0.364 243 C C 2.371 177.361 174.990 0.000 0.000 1.656 243 C CA -0.472 58.605 59.018 0.098 0.000 2.400 243 C CB -0.417 27.419 27.740 0.159 0.000 2.132 243 C HN 0.200 nan 8.230 nan 0.000 0.668 244 L N 1.799 122.980 121.223 -0.070 0.000 1.970 244 L HA -0.114 4.226 4.340 0.001 0.000 0.212 244 L C 2.231 178.944 176.870 -0.261 0.000 1.071 244 L CA 2.205 56.916 54.840 -0.215 0.000 0.751 244 L CB -1.193 40.634 42.059 -0.386 0.000 0.889 244 L HN 0.422 nan 8.230 nan 0.000 0.432 245 L N -0.276 120.788 121.223 -0.265 0.000 2.017 245 L HA -0.179 4.162 4.340 0.001 0.000 0.208 245 L C -0.063 176.743 176.870 -0.105 0.000 1.073 245 L CA 1.317 56.002 54.840 -0.259 0.000 0.745 245 L CB -1.912 39.910 42.059 -0.395 0.000 0.894 245 L HN 0.245 nan 8.230 nan 0.000 0.432 246 P HA -0.128 nan 4.420 nan 0.000 0.215 246 P C 1.983 179.301 177.300 0.031 0.000 1.157 246 P CA 1.134 64.257 63.100 0.038 0.000 0.863 246 P CB 0.080 31.818 31.700 0.064 0.000 0.787 247 V N 0.138 120.053 119.914 0.001 0.000 2.343 247 V HA -0.252 3.868 4.120 0.001 0.000 0.247 247 V C 2.445 178.536 176.094 -0.005 0.000 1.051 247 V CA 2.271 64.570 62.300 -0.001 0.000 1.036 247 V CB -1.721 30.050 31.823 -0.087 0.000 0.654 247 V HN 0.094 nan 8.190 nan 0.000 0.451 248 A N -0.701 122.072 122.820 -0.079 0.000 1.933 248 A HA -0.260 4.061 4.320 0.001 0.000 0.218 248 A C 2.294 179.859 177.584 -0.032 0.000 1.175 248 A CA 1.942 53.927 52.037 -0.088 0.000 0.628 248 A CB -0.447 18.442 19.000 -0.185 0.000 0.814 248 A HN 0.622 nan 8.150 nan 0.000 0.444 249 E N -0.174 120.015 120.200 -0.020 0.000 2.047 249 E HA -0.217 4.134 4.350 0.001 0.000 0.191 249 E C 2.092 178.713 176.600 0.033 0.000 0.987 249 E CA 1.362 57.764 56.400 0.002 0.000 0.799 249 E CB -0.140 29.580 29.700 0.034 0.000 0.752 249 E HN 0.618 nan 8.360 nan 0.000 0.449 250 K N -0.361 120.089 120.400 0.082 0.000 2.063 250 K HA -0.191 4.129 4.320 0.001 0.000 0.208 250 K C 1.485 178.099 176.600 0.023 0.000 1.048 250 K CA 1.779 58.110 56.287 0.074 0.000 0.928 250 K CB -0.106 32.478 32.500 0.140 0.000 0.713 250 K HN 0.216 nan 8.250 nan 0.000 0.442 251 H N -0.219 118.832 119.070 -0.031 0.000 2.539 251 H HA 0.150 4.706 4.556 0.001 0.000 0.269 251 H C -0.111 175.191 175.328 -0.044 0.000 0.980 251 H CA 0.475 56.504 56.048 -0.032 0.000 1.152 251 H CB -0.154 29.591 29.762 -0.028 0.000 1.407 251 H HN 0.372 nan 8.280 nan 0.000 0.564 252 N N 0.756 119.481 118.700 0.042 0.000 2.727 252 N HA -0.164 4.576 4.740 0.001 0.000 0.249 252 N C -0.997 174.489 175.510 -0.040 0.000 1.048 252 N CA -0.280 52.753 53.050 -0.028 0.000 0.714 252 N CB -0.619 37.840 38.487 -0.046 0.000 0.959 252 N HN 0.121 nan 8.380 nan 0.000 0.544 253 I N 1.018 121.577 120.570 -0.019 0.000 2.336 253 I HA 0.399 4.569 4.170 0.001 0.000 0.292 253 I C -1.899 174.190 176.117 -0.047 0.000 0.991 253 I CA -2.109 59.182 61.300 -0.014 0.000 1.227 253 I CB 0.959 38.968 38.000 0.015 0.000 1.366 253 I HN -0.019 nan 8.210 nan 0.000 0.466 254 P HA 0.096 nan 4.420 nan 0.000 0.272 254 P C -0.751 176.597 177.300 0.079 0.000 1.230 254 P CA -0.094 62.991 63.100 -0.025 0.000 0.788 254 P CB 0.460 32.204 31.700 0.073 0.000 0.949 255 F N 2.046 121.862 119.950 -0.224 0.000 2.388 255 F HA 0.622 5.150 4.527 0.000 0.000 0.358 255 F C -0.632 175.112 175.800 -0.093 0.000 1.122 255 F CA -1.830 56.073 58.000 -0.162 0.000 1.056 255 F CB 0.196 39.042 39.000 -0.257 0.000 1.155 255 F HN 0.280 nan 8.300 nan 0.000 0.461 256 A N 8.232 130.941 122.820 -0.186 0.000 2.260 256 A HA 0.707 5.028 4.320 0.001 0.000 0.308 256 A C -0.663 176.565 177.584 -0.594 0.000 1.254 256 A CA -0.599 51.175 52.037 -0.439 0.000 0.874 256 A CB 0.225 18.804 19.000 -0.703 0.000 1.153 256 A HN 0.788 nan 8.150 nan 0.000 0.527 257 M N 3.713 122.974 119.600 -0.565 0.000 2.181 257 M HA 0.410 4.890 4.480 0.001 0.000 0.323 257 M C -0.787 175.242 176.300 -0.452 0.000 1.004 257 M CA 0.181 55.125 55.300 -0.593 0.000 0.941 257 M CB 1.689 33.897 32.600 -0.653 0.000 1.579 257 M HN 0.594 nan 8.290 nan 0.000 0.427 258 M N 5.568 124.891 119.600 -0.462 0.000 2.060 258 M HA 0.511 4.991 4.480 0.001 0.000 0.342 258 M C -1.000 175.182 176.300 -0.198 0.000 1.031 258 M CA -0.267 54.661 55.300 -0.620 0.000 0.981 258 M CB 0.350 32.309 32.600 -1.068 0.000 1.376 258 M HN 0.618 nan 8.290 nan 0.000 0.397 259 I N 1.438 121.980 120.570 -0.047 0.000 2.385 259 I HA 0.625 4.795 4.170 0.001 0.000 0.294 259 I C 1.051 177.313 176.117 0.242 0.000 0.988 259 I CA -0.087 61.260 61.300 0.077 0.000 1.265 259 I CB 1.685 39.673 38.000 -0.020 0.000 1.388 259 I HN 0.984 nan 8.210 nan 0.000 0.480 260 G N 3.937 112.840 108.800 0.171 0.000 2.227 260 G HA2 -0.187 3.773 3.960 0.001 0.000 0.168 260 G HA3 -0.187 3.773 3.960 0.001 0.000 0.168 260 G C -0.157 174.733 174.900 -0.018 0.000 1.006 260 G CA -0.216 44.927 45.100 0.071 0.000 0.684 260 G HN 0.508 nan 8.290 nan 0.000 0.489 261 V N 1.538 121.494 119.914 0.071 0.000 2.488 261 V HA 0.644 4.765 4.120 0.001 0.000 0.277 261 V C 0.398 176.508 176.094 0.026 0.000 1.046 261 V CA -0.176 62.119 62.300 -0.007 0.000 0.986 261 V CB 1.338 33.270 31.823 0.180 0.000 0.989 261 V HN 0.246 nan 8.190 nan 0.000 0.475 262 K N 6.565 126.952 120.400 -0.021 0.000 2.299 262 K HA 0.355 4.675 4.320 0.001 0.000 0.268 262 K C -0.281 176.381 176.600 0.102 0.000 1.075 262 K CA -0.733 55.583 56.287 0.048 0.000 0.936 262 K CB 0.383 32.915 32.500 0.054 0.000 1.228 262 K HN 0.579 nan 8.250 nan 0.000 0.454 263 K N 3.088 123.556 120.400 0.114 0.000 2.448 263 K HA 0.009 4.329 4.320 0.001 0.000 0.278 263 K C -0.050 176.620 176.600 0.117 0.000 1.009 263 K CA 0.168 56.533 56.287 0.131 0.000 0.995 263 K CB 0.420 32.994 32.500 0.124 0.000 0.917 263 K HN 0.611 nan 8.250 nan 0.000 0.481 264 R N -0.024 120.551 120.500 0.125 0.000 3.188 264 R HA -0.171 4.170 4.340 0.001 0.000 0.247 264 R C 1.096 177.457 176.300 0.102 0.000 0.918 264 R CA 0.538 56.706 56.100 0.113 0.000 0.629 264 R CB -2.274 28.082 30.300 0.094 0.000 1.087 264 R HN 0.587 nan 8.270 nan 0.000 0.462 265 V N -3.355 116.618 119.914 0.100 0.000 3.041 265 V HA -0.017 4.104 4.120 0.001 0.000 0.260 265 V C 0.878 177.001 176.094 0.048 0.000 1.105 265 V CA 1.383 63.708 62.300 0.043 0.000 1.125 265 V CB -0.104 31.707 31.823 -0.020 0.000 0.730 265 V HN 0.506 nan 8.190 nan 0.000 0.479 266 H N 0.625 119.690 119.070 -0.008 0.000 2.607 266 H HA 0.461 5.017 4.556 0.001 0.000 0.248 266 H C -2.397 172.960 175.328 0.048 0.000 1.355 266 H CA -2.634 53.413 56.048 -0.001 0.000 1.524 266 H CB 1.654 31.402 29.762 -0.024 0.000 1.563 266 H HN 0.124 nan 8.280 nan 0.000 0.509 267 P HA -0.197 nan 4.420 nan 0.000 0.215 267 P C 1.447 178.838 177.300 0.151 0.000 1.163 267 P CA 2.421 65.621 63.100 0.166 0.000 0.894 267 P CB 0.182 31.961 31.700 0.133 0.000 0.791 268 A N -0.717 122.222 122.820 0.198 0.000 1.997 268 A HA -0.197 4.123 4.320 0.001 0.000 0.221 268 A C 2.074 179.795 177.584 0.229 0.000 1.172 268 A CA 1.526 53.676 52.037 0.187 0.000 0.645 268 A CB -1.715 17.407 19.000 0.203 0.000 0.813 268 A HN 0.177 nan 8.150 nan 0.000 0.454 269 L N -1.213 119.989 121.223 -0.034 0.000 2.610 269 L HA 0.121 4.461 4.340 0.001 0.000 0.232 269 L C 1.831 178.885 176.870 0.307 0.000 1.149 269 L CA 0.208 55.099 54.840 0.084 0.000 0.872 269 L CB -1.125 40.821 42.059 -0.189 0.000 0.992 269 L HN 0.675 nan 8.230 nan 0.000 0.447 270 G N 0.987 109.906 108.800 0.198 0.000 2.611 270 G HA2 -0.402 3.559 3.960 0.001 0.000 0.301 270 G HA3 -0.402 3.559 3.960 0.001 0.000 0.301 270 G C 0.462 175.414 174.900 0.086 0.000 1.233 270 G CA 0.455 45.610 45.100 0.091 0.000 0.993 270 G HN 0.321 nan 8.290 nan 0.000 0.553 271 D N 1.291 121.721 120.400 0.050 0.000 2.384 271 D HA 0.202 4.842 4.640 0.001 0.000 0.222 271 D C 2.243 178.435 176.300 -0.181 0.000 0.976 271 D CA 1.449 55.394 54.000 -0.092 0.000 0.915 271 D CB -0.423 40.278 40.800 -0.164 0.000 0.896 271 D HN 0.816 nan 8.370 nan 0.000 0.523 272 A N 0.029 122.895 122.820 0.077 0.000 2.308 272 A HA 0.346 4.667 4.320 0.001 0.000 0.217 272 A C 1.902 179.574 177.584 0.147 0.000 1.216 272 A CA 0.410 52.549 52.037 0.170 0.000 0.864 272 A CB 0.161 19.287 19.000 0.209 0.000 0.902 272 A HN 0.190 nan 8.150 nan 0.000 0.499 273 G N -0.277 108.597 108.800 0.122 0.000 3.523 273 G HA2 0.314 4.274 3.960 0.001 0.000 0.270 273 G HA3 0.314 4.274 3.960 0.001 0.000 0.270 273 G C -0.632 174.363 174.900 0.159 0.000 1.134 273 G CA -0.189 44.986 45.100 0.126 0.000 0.825 273 G HN 0.245 nan 8.290 nan 0.000 0.534 274 D N 0.029 120.555 120.400 0.210 0.000 2.175 274 D HA 0.507 5.147 4.640 0.001 0.000 0.248 274 D C -0.699 175.691 176.300 0.151 0.000 1.047 274 D CA -0.347 53.770 54.000 0.195 0.000 0.883 274 D CB 2.065 43.039 40.800 0.290 0.000 1.180 274 D HN -0.008 nan 8.370 nan 0.000 0.438 275 F N 1.290 121.166 119.950 -0.124 0.000 2.611 275 F HA 0.651 5.179 4.527 0.001 0.000 0.374 275 F C -0.819 174.811 175.800 -0.283 0.000 1.110 275 F CA -1.233 56.611 58.000 -0.258 0.000 1.090 275 F CB 1.121 40.008 39.000 -0.187 0.000 1.388 275 F HN 0.088 nan 8.300 nan 0.000 0.501 276 V N 0.511 119.721 119.914 -1.172 0.000 3.040 276 V HA 0.945 5.066 4.120 0.001 0.000 0.312 276 V C -0.829 174.694 176.094 -0.952 0.000 1.115 276 V CA -0.039 61.738 62.300 -0.872 0.000 0.998 276 V CB 1.786 33.193 31.823 -0.694 0.000 1.042 276 V HN 1.102 nan 8.190 nan 0.000 0.433 277 G N 2.714 111.226 108.800 -0.480 0.000 2.720 277 G HA2 0.442 4.403 3.960 0.001 0.000 0.295 277 G HA3 0.442 4.403 3.960 0.001 0.000 0.295 277 G C -1.689 173.104 174.900 -0.178 0.000 1.437 277 G CA -0.812 44.094 45.100 -0.323 0.000 0.886 277 G HN 0.856 nan 8.290 nan 0.000 0.509 278 K N 0.442 120.763 120.400 -0.131 0.000 2.298 278 K HA 0.619 4.939 4.320 0.001 0.000 0.280 278 K C 0.257 176.837 176.600 -0.034 0.000 1.032 278 K CA -0.199 56.044 56.287 -0.073 0.000 0.958 278 K CB 0.926 33.389 32.500 -0.062 0.000 0.978 278 K HN 0.647 nan 8.250 nan 0.000 0.472 279 A N 2.407 125.225 122.820 -0.004 0.000 2.322 279 A HA 0.372 4.693 4.320 0.001 0.000 0.327 279 A C -0.615 176.985 177.584 0.027 0.000 1.134 279 A CA -0.664 51.391 52.037 0.029 0.000 0.831 279 A CB 1.490 20.534 19.000 0.073 0.000 1.288 279 A HN 0.709 nan 8.150 nan 0.000 0.472 280 S N 0.202 115.922 115.700 0.032 0.000 2.584 280 S HA 0.349 4.819 4.470 0.001 0.000 0.273 280 S C 0.874 175.496 174.600 0.036 0.000 1.311 280 S CA -0.526 57.686 58.200 0.019 0.000 1.034 280 S CB 0.204 63.404 63.200 -0.000 0.000 0.939 280 S HN 0.502 nan 8.310 nan 0.000 0.513 281 M N 2.621 122.238 119.600 0.030 0.000 2.541 281 M HA 0.086 4.567 4.480 0.001 0.000 0.252 281 M C 0.872 177.194 176.300 0.037 0.000 1.125 281 M CA 0.437 55.759 55.300 0.037 0.000 1.091 281 M CB -1.463 31.156 32.600 0.032 0.000 1.420 281 M HN 0.598 nan 8.290 nan 0.000 0.486 282 D N 1.092 121.507 120.400 0.026 0.000 2.149 282 D HA -0.149 4.491 4.640 0.001 0.000 0.194 282 D C 2.074 178.399 176.300 0.041 0.000 1.001 282 D CA 1.851 55.868 54.000 0.029 0.000 0.849 282 D CB -0.531 40.269 40.800 0.001 0.000 0.939 282 D HN 0.446 nan 8.370 nan 0.000 0.449 283 G N 0.241 109.040 108.800 -0.002 0.000 2.402 283 G HA2 -0.173 3.788 3.960 0.001 0.000 0.216 283 G HA3 -0.173 3.788 3.960 0.001 0.000 0.216 283 G C 1.827 176.780 174.900 0.087 0.000 1.162 283 G CA 0.810 45.909 45.100 -0.002 0.000 0.777 283 G HN 0.268 nan 8.290 nan 0.000 0.539 284 V N 0.712 120.666 119.914 0.067 0.000 2.358 284 V HA -0.141 3.979 4.120 0.001 0.000 0.246 284 V C 2.553 178.552 176.094 -0.158 0.000 1.047 284 V CA 2.082 64.351 62.300 -0.053 0.000 1.035 284 V CB -0.347 31.452 31.823 -0.039 0.000 0.658 284 V HN 0.547 nan 8.190 nan 0.000 0.452 285 E N -0.221 119.942 120.200 -0.062 0.000 2.085 285 E HA -0.311 4.040 4.350 0.001 0.000 0.194 285 E C 2.320 178.830 176.600 -0.150 0.000 0.994 285 E CA 1.557 57.905 56.400 -0.088 0.000 0.801 285 E CB -0.263 29.471 29.700 0.056 0.000 0.743 285 E HN 0.747 nan 8.360 nan 0.000 0.453 286 H N 0.965 119.986 119.070 -0.082 0.000 2.321 286 H HA -0.114 4.442 4.556 0.000 0.000 0.300 286 H C 2.348 177.661 175.328 -0.026 0.000 1.087 286 H CA 1.630 57.673 56.048 -0.009 0.000 1.319 286 H CB -0.265 29.567 29.762 0.116 0.000 1.379 286 H HN 0.212 nan 8.280 nan 0.000 0.501 287 L N 0.311 121.582 121.223 0.079 0.000 2.012 287 L HA -0.239 4.102 4.340 0.001 0.000 0.210 287 L C 3.061 179.733 176.870 -0.329 0.000 1.073 287 L CA 1.128 55.914 54.840 -0.090 0.000 0.748 287 L CB -0.502 41.239 42.059 -0.530 0.000 0.891 287 L HN 0.230 nan 8.230 nan 0.000 0.431 288 L N -0.707 120.121 121.223 -0.658 0.000 2.042 288 L HA -0.250 4.090 4.340 0.001 0.000 0.210 288 L C 2.837 179.314 176.870 -0.655 0.000 1.076 288 L CA 1.443 55.839 54.840 -0.740 0.000 0.749 288 L CB -0.536 40.850 42.059 -1.122 0.000 0.893 288 L HN 0.281 nan 8.230 nan 0.000 0.432 289 R N 0.015 120.087 120.500 -0.715 0.000 2.062 289 R HA -0.115 4.225 4.340 0.001 0.000 0.229 289 R C 1.984 178.158 176.300 -0.210 0.000 1.128 289 R CA 1.125 57.020 56.100 -0.341 0.000 0.960 289 R CB 0.077 30.272 30.300 -0.174 0.000 0.855 289 R HN 0.230 nan 8.270 nan 0.000 0.432 290 E N -0.278 119.731 120.200 -0.319 0.000 2.435 290 E HA -0.090 4.261 4.350 0.001 0.000 0.195 290 E C -0.205 176.051 176.600 -0.574 0.000 1.029 290 E CA 0.665 56.799 56.400 -0.443 0.000 0.865 290 E CB 0.294 29.607 29.700 -0.645 0.000 0.833 290 E HN 0.439 nan 8.360 nan 0.000 0.510 291 Y N 0.586 120.899 120.300 0.021 0.000 2.495 291 Y HA 0.201 4.752 4.550 0.002 0.000 0.362 291 Y C -1.565 174.427 175.900 0.154 0.000 0.956 291 Y CA -2.022 56.154 58.100 0.128 0.000 1.127 291 Y CB 1.093 39.704 38.460 0.251 0.000 1.173 291 Y HN -0.035 nan 8.280 nan 0.000 0.639 292 P HA -0.160 nan 4.420 nan 0.000 0.221 292 P C 0.073 177.459 177.300 0.143 0.000 1.145 292 P CA 1.476 64.665 63.100 0.149 0.000 0.795 292 P CB 0.372 32.129 31.700 0.094 0.000 0.775 293 N N -0.994 117.787 118.700 0.134 0.000 2.322 293 N HA 0.056 4.797 4.740 0.001 0.000 0.194 293 N C 0.348 175.889 175.510 0.051 0.000 1.126 293 N CA -0.162 52.937 53.050 0.081 0.000 0.845 293 N CB -0.019 38.509 38.487 0.068 0.000 0.976 293 N HN 0.127 nan 8.380 nan 0.000 0.475 294 N N 0.959 119.714 118.700 0.091 0.000 2.417 294 N HA 0.258 4.999 4.740 0.001 0.000 0.300 294 N C -0.777 174.618 175.510 -0.192 0.000 1.102 294 N CA -0.220 52.768 53.050 -0.104 0.000 0.886 294 N CB 1.611 40.013 38.487 -0.141 0.000 1.203 294 N HN -0.020 nan 8.380 nan 0.000 0.496 295 K N 1.352 121.521 120.400 -0.385 0.000 2.164 295 K HA 0.495 4.815 4.320 0.001 0.000 0.258 295 K C -1.077 175.326 176.600 -0.328 0.000 0.951 295 K CA -0.395 55.757 56.287 -0.225 0.000 0.844 295 K CB 1.355 33.583 32.500 -0.453 0.000 1.099 295 K HN 0.352 nan 8.250 nan 0.000 0.435 296 F N 2.318 122.471 119.950 0.338 0.000 2.539 296 F HA 0.389 4.916 4.527 0.001 0.000 0.318 296 F C -0.367 175.499 175.800 0.110 0.000 1.135 296 F CA -0.860 57.248 58.000 0.180 0.000 0.915 296 F CB 1.212 40.246 39.000 0.058 0.000 1.176 296 F HN 0.107 nan 8.300 nan 0.000 0.440 297 L N 4.378 125.678 121.223 0.128 0.000 2.296 297 L HA 0.802 5.142 4.340 0.001 0.000 0.286 297 L C -0.890 176.013 176.870 0.054 0.000 1.023 297 L CA -0.819 54.018 54.840 -0.004 0.000 0.812 297 L CB 1.676 43.587 42.059 -0.248 0.000 1.223 297 L HN 0.368 nan 8.230 nan 0.000 0.421 298 V N 1.817 121.764 119.914 0.055 0.000 2.841 298 V HA 0.623 4.744 4.120 0.001 0.000 0.310 298 V C -0.417 175.356 176.094 -0.535 0.000 1.090 298 V CA -0.518 61.676 62.300 -0.177 0.000 0.930 298 V CB 2.336 34.067 31.823 -0.153 0.000 1.014 298 V HN 0.748 nan 8.190 nan 0.000 0.425 299 T N 4.811 118.944 114.554 -0.700 0.000 2.933 299 T HA 0.747 5.097 4.350 0.001 0.000 0.305 299 T C -1.136 173.393 174.700 -0.286 0.000 1.092 299 T CA -0.386 61.270 62.100 -0.740 0.000 1.008 299 T CB 1.370 69.424 68.868 -1.357 0.000 1.102 299 T HN 0.565 nan 8.240 nan 0.000 0.469 300 M N 4.099 123.678 119.600 -0.036 0.000 2.530 300 M HA 0.462 4.942 4.480 0.001 0.000 0.307 300 M C 0.084 176.557 176.300 0.287 0.000 1.161 300 M CA -0.854 54.532 55.300 0.145 0.000 0.903 300 M CB 2.288 34.909 32.600 0.034 0.000 1.711 300 M HN 0.507 nan 8.290 nan 0.000 0.451 301 L N 0.725 122.110 121.223 0.270 0.000 2.270 301 L HA 0.210 4.550 4.340 0.001 0.000 0.210 301 L C 0.946 177.791 176.870 -0.042 0.000 1.104 301 L CA 1.214 56.069 54.840 0.024 0.000 0.804 301 L CB 0.209 42.108 42.059 -0.266 0.000 0.937 301 L HN 0.692 nan 8.230 nan 0.000 0.450 302 S N -0.678 114.998 115.700 -0.040 0.000 2.545 302 S HA 0.103 4.574 4.470 0.001 0.000 0.275 302 S C 1.440 176.016 174.600 -0.040 0.000 1.299 302 S CA -0.427 57.726 58.200 -0.078 0.000 1.048 302 S CB 0.764 63.911 63.200 -0.088 0.000 0.938 302 S HN 0.376 nan 8.310 nan 0.000 0.496 303 R N 2.414 122.884 120.500 -0.051 0.000 2.120 303 R HA -0.077 4.263 4.340 0.001 0.000 0.234 303 R C 0.831 177.119 176.300 -0.022 0.000 1.123 303 R CA 1.697 57.781 56.100 -0.027 0.000 0.975 303 R CB -0.170 30.109 30.300 -0.035 0.000 0.866 303 R HN 0.649 nan 8.270 nan 0.000 0.446 304 E N -0.188 119.991 120.200 -0.035 0.000 2.516 304 E HA -0.050 4.300 4.350 0.001 0.000 0.199 304 E C 0.702 177.298 176.600 -0.006 0.000 1.069 304 E CA 0.738 57.123 56.400 -0.025 0.000 0.876 304 E CB -0.013 29.663 29.700 -0.040 0.000 0.843 304 E HN 0.481 nan 8.360 nan 0.000 0.530 305 N N -0.647 118.049 118.700 -0.006 0.000 2.322 305 N HA -0.033 4.708 4.740 0.001 0.000 0.181 305 N C 1.241 176.754 175.510 0.005 0.000 1.088 305 N CA -0.134 52.918 53.050 0.003 0.000 0.885 305 N CB 0.359 38.846 38.487 -0.001 0.000 1.013 305 N HN -0.036 nan 8.380 nan 0.000 0.472 306 Q N 0.601 120.405 119.800 0.007 0.000 2.045 306 Q HA -0.242 4.098 4.340 0.001 0.000 0.206 306 Q C 1.821 177.814 176.000 -0.010 0.000 0.991 306 Q CA 1.516 57.316 55.803 -0.007 0.000 0.851 306 Q CB -0.958 27.780 28.738 0.000 0.000 0.911 306 Q HN 0.579 nan 8.270 nan 0.000 0.418 307 H N 1.501 120.539 119.070 -0.054 0.000 2.290 307 H HA -0.131 4.426 4.556 0.001 0.000 0.298 307 H C 1.831 177.127 175.328 -0.052 0.000 1.087 307 H CA 1.963 57.976 56.048 -0.058 0.000 1.291 307 H CB 0.302 30.035 29.762 -0.049 0.000 1.369 307 H HN 0.519 nan 8.280 nan 0.000 0.492 308 E N 0.446 120.657 120.200 0.018 0.000 2.153 308 E HA -0.155 4.195 4.350 0.001 0.000 0.194 308 E C 2.437 178.987 176.600 -0.082 0.000 0.988 308 E CA 0.928 57.311 56.400 -0.029 0.000 0.811 308 E CB -0.438 29.287 29.700 0.043 0.000 0.746 308 E HN 0.327 nan 8.360 nan 0.000 0.466 309 L N 1.510 122.687 121.223 -0.076 0.000 2.046 309 L HA -0.127 4.214 4.340 0.001 0.000 0.208 309 L C 2.309 179.108 176.870 -0.119 0.000 1.077 309 L CA 1.238 56.031 54.840 -0.078 0.000 0.747 309 L CB -0.256 41.756 42.059 -0.078 0.000 0.896 309 L HN 0.009 nan 8.230 nan 0.000 0.432 310 V N -1.127 118.674 119.914 -0.189 0.000 2.295 310 V HA -0.285 3.836 4.120 0.001 0.000 0.246 310 V C 2.507 178.473 176.094 -0.214 0.000 1.049 310 V CA 1.734 63.894 62.300 -0.233 0.000 1.024 310 V CB -0.568 31.067 31.823 -0.313 0.000 0.648 310 V HN 0.347 nan 8.190 nan 0.000 0.447 311 V N -0.384 119.372 119.914 -0.263 0.000 2.407 311 V HA -0.243 3.877 4.120 0.001 0.000 0.248 311 V C 2.369 178.404 176.094 -0.098 0.000 1.055 311 V CA 1.954 64.139 62.300 -0.192 0.000 1.049 311 V CB -0.614 31.097 31.823 -0.186 0.000 0.662 311 V HN 0.489 nan 8.190 nan 0.000 0.455 312 L N 0.845 122.038 121.223 -0.051 0.000 2.131 312 L HA -0.058 4.283 4.340 0.001 0.000 0.210 312 L C 2.418 179.335 176.870 0.077 0.000 1.092 312 L CA 2.180 57.049 54.840 0.049 0.000 0.759 312 L CB -0.877 41.226 42.059 0.074 0.000 0.903 312 L HN 0.240 nan 8.230 nan 0.000 0.435 313 A N -0.812 122.014 122.820 0.010 0.000 2.015 313 A HA -0.176 4.145 4.320 0.001 0.000 0.219 313 A C 2.382 179.963 177.584 -0.005 0.000 1.163 313 A CA 1.363 53.414 52.037 0.023 0.000 0.646 313 A CB -0.491 18.493 19.000 -0.027 0.000 0.806 313 A HN 0.478 nan 8.150 nan 0.000 0.448 314 R N -0.487 119.977 120.500 -0.060 0.000 2.148 314 R HA -0.041 4.299 4.340 0.001 0.000 0.223 314 R C 1.598 177.818 176.300 -0.134 0.000 1.088 314 R CA 1.106 57.155 56.100 -0.084 0.000 0.985 314 R CB -0.041 30.198 30.300 -0.101 0.000 0.880 314 R HN 0.297 nan 8.270 nan 0.000 0.451 315 K N -0.208 120.070 120.400 -0.205 0.000 2.186 315 K HA 0.053 4.373 4.320 0.001 0.000 0.202 315 K C 0.058 176.222 176.600 -0.726 0.000 1.052 315 K CA 0.834 56.809 56.287 -0.519 0.000 0.965 315 K CB 0.316 32.373 32.500 -0.738 0.000 0.746 315 K HN 0.014 nan 8.250 nan 0.000 0.457 316 F N 0.615 120.574 119.950 0.015 0.000 2.507 316 F HA 0.137 4.664 4.527 -0.000 0.000 0.328 316 F C 1.167 177.014 175.800 0.078 0.000 1.136 316 F CA -0.859 57.168 58.000 0.045 0.000 0.930 316 F CB 1.801 40.827 39.000 0.043 0.000 1.166 316 F HN -0.148 nan 8.300 nan 0.000 0.436 317 S N 0.172 116.025 115.700 0.255 0.000 2.515 317 S HA -0.148 4.322 4.470 0.001 0.000 0.231 317 S C 1.191 175.985 174.600 0.322 0.000 0.987 317 S CA 0.818 59.154 58.200 0.227 0.000 0.936 317 S CB -0.454 62.844 63.200 0.164 0.000 0.766 317 S HN 0.701 nan 8.310 nan 0.000 0.528 318 N N 1.291 120.205 118.700 0.356 0.000 2.383 318 N HA 0.111 4.852 4.740 0.001 0.000 0.192 318 N C -0.074 175.762 175.510 0.543 0.000 1.141 318 N CA -0.167 53.131 53.050 0.414 0.000 0.851 318 N CB -0.313 38.379 38.487 0.342 0.000 0.976 318 N HN 0.484 nan 8.380 nan 0.000 0.465 319 L N 0.657 122.116 121.223 0.394 0.000 2.313 319 L HA 0.610 4.951 4.340 0.001 0.000 0.283 319 L C -0.963 175.923 176.870 0.027 0.000 1.013 319 L CA -0.777 54.211 54.840 0.245 0.000 0.816 319 L CB 1.634 43.793 42.059 0.167 0.000 1.236 319 L HN 0.026 nan 8.230 nan 0.000 0.419 320 M N 7.341 126.782 119.600 -0.265 0.000 2.190 320 M HA 0.538 5.018 4.480 0.001 0.000 0.312 320 M C -1.105 175.081 176.300 -0.190 0.000 0.990 320 M CA -0.827 54.176 55.300 -0.494 0.000 0.927 320 M CB 1.179 32.890 32.600 -1.481 0.000 1.571 320 M HN 0.553 nan 8.290 nan 0.000 0.427 321 I N 2.789 123.325 120.570 -0.058 0.000 2.488 321 I HA 0.848 5.019 4.170 0.001 0.000 0.299 321 I C -1.392 174.792 176.117 0.111 0.000 0.984 321 I CA -0.721 60.569 61.300 -0.018 0.000 1.250 321 I CB 1.243 39.203 38.000 -0.066 0.000 1.389 321 I HN 0.794 nan 8.210 nan 0.000 0.488 322 F N 2.614 122.519 119.950 -0.075 0.000 2.613 322 F HA 0.895 5.423 4.527 0.001 0.000 0.310 322 F C 0.137 175.974 175.800 0.060 0.000 1.085 322 F CA -0.346 57.639 58.000 -0.026 0.000 0.945 322 F CB 0.735 39.653 39.000 -0.136 0.000 1.298 322 F HN 1.051 nan 8.300 nan 0.000 0.455 323 G N 0.479 109.458 108.800 0.297 0.000 2.960 323 G HA2 -0.189 3.771 3.960 0.001 0.000 0.267 323 G HA3 -0.189 3.771 3.960 0.001 0.000 0.267 323 G C -1.007 173.992 174.900 0.164 0.000 1.492 323 G CA -0.412 44.893 45.100 0.342 0.000 0.953 323 G HN 1.347 nan 8.290 nan 0.000 0.555 324 C N 0.144 119.534 119.300 0.149 0.000 2.357 324 C HA 0.409 4.870 4.460 0.001 0.000 0.300 324 C C 0.233 175.354 174.990 0.218 0.000 1.074 324 C CA -0.752 58.349 59.018 0.138 0.000 1.566 324 C CB -0.733 27.058 27.740 0.084 0.000 1.791 324 C HN 0.631 nan 8.230 nan 0.000 0.415 325 W N 4.347 125.710 121.300 0.106 0.000 2.303 325 W HA 0.375 5.036 4.660 0.001 0.000 0.318 325 W C 0.792 177.459 176.519 0.247 0.000 1.362 325 W CA 0.172 57.640 57.345 0.206 0.000 1.234 325 W CB 0.118 29.707 29.460 0.215 0.000 1.248 325 W HN 0.845 nan 8.180 nan 0.000 0.546 326 W N 4.115 125.362 121.300 -0.087 0.000 2.440 326 W HA -0.458 4.202 4.660 0.001 0.000 0.307 326 W C 1.431 177.700 176.519 -0.417 0.000 1.765 326 W CA 2.266 59.328 57.345 -0.472 0.000 1.844 326 W CB -2.149 26.550 29.460 -1.267 0.000 0.921 326 W HN 0.388 nan 8.180 nan 0.000 0.464 327 F N 0.823 120.739 119.950 -0.057 0.000 2.641 327 F HA -0.119 4.409 4.527 0.001 0.000 0.298 327 F C 2.357 178.121 175.800 -0.059 0.000 1.146 327 F CA 1.654 59.554 58.000 -0.166 0.000 1.464 327 F CB -0.810 37.953 39.000 -0.394 0.000 1.101 327 F HN -0.137 nan 8.300 nan 0.000 0.585 328 M N -1.366 118.303 119.600 0.115 0.000 2.492 328 M HA 0.072 4.552 4.480 0.001 0.000 0.255 328 M C 0.753 177.126 176.300 0.122 0.000 1.139 328 M CA 0.460 55.825 55.300 0.109 0.000 1.096 328 M CB -0.758 31.912 32.600 0.117 0.000 1.360 328 M HN -0.078 nan 8.290 nan 0.000 0.480 329 N N 3.034 121.825 118.700 0.151 0.000 3.210 329 N HA 0.057 4.797 4.740 0.001 0.000 0.314 329 N C -1.168 174.446 175.510 0.175 0.000 1.291 329 N CA 0.217 53.358 53.050 0.151 0.000 1.202 329 N CB -0.252 38.341 38.487 0.175 0.000 1.475 329 N HN 0.216 nan 8.380 nan 0.000 0.554 330 N N -0.033 118.749 118.700 0.137 0.000 2.225 330 N HA 0.250 4.991 4.740 0.001 0.000 0.298 330 N C -2.011 173.557 175.510 0.096 0.000 1.076 330 N CA -1.275 51.852 53.050 0.127 0.000 0.792 330 N CB 2.270 40.821 38.487 0.107 0.000 1.498 330 N HN -0.041 nan 8.380 nan 0.000 0.474 331 P HA -0.230 nan 4.420 nan 0.000 0.217 331 P C 1.211 178.543 177.300 0.053 0.000 1.162 331 P CA 1.656 64.795 63.100 0.066 0.000 0.901 331 P CB 0.499 32.223 31.700 0.040 0.000 0.793 332 E N -0.657 119.568 120.200 0.041 0.000 2.058 332 E HA -0.185 4.165 4.350 0.001 0.000 0.194 332 E C 1.832 178.452 176.600 0.033 0.000 0.997 332 E CA 1.447 57.865 56.400 0.030 0.000 0.801 332 E CB -0.882 28.830 29.700 0.020 0.000 0.746 332 E HN 0.058 nan 8.360 nan 0.000 0.450 333 I N 0.414 121.008 120.570 0.041 0.000 2.333 333 I HA -0.150 4.021 4.170 0.001 0.000 0.246 333 I C 2.442 178.587 176.117 0.047 0.000 1.106 333 I CA 0.867 62.191 61.300 0.040 0.000 1.411 333 I CB -1.040 36.989 38.000 0.048 0.000 1.082 333 I HN 0.194 nan 8.210 nan 0.000 0.420 334 I N 1.147 121.754 120.570 0.062 0.000 2.208 334 I HA -0.352 3.819 4.170 0.001 0.000 0.245 334 I C 2.506 178.662 176.117 0.065 0.000 1.097 334 I CA 1.578 62.920 61.300 0.070 0.000 1.363 334 I CB -0.534 37.516 38.000 0.084 0.000 1.051 334 I HN 0.406 nan 8.210 nan 0.000 0.413 335 N N 1.310 120.045 118.700 0.058 0.000 2.106 335 N HA -0.250 4.490 4.740 0.001 0.000 0.188 335 N C 1.896 177.427 175.510 0.035 0.000 1.029 335 N CA 1.828 54.909 53.050 0.051 0.000 0.848 335 N CB 0.000 38.515 38.487 0.045 0.000 1.007 335 N HN 0.553 nan 8.380 nan 0.000 0.423 336 E N 0.404 120.619 120.200 0.026 0.000 2.106 336 E HA -0.180 4.170 4.350 0.001 0.000 0.192 336 E C 2.168 178.770 176.600 0.004 0.000 0.984 336 E CA 0.900 57.308 56.400 0.013 0.000 0.806 336 E CB -0.307 29.398 29.700 0.009 0.000 0.750 336 E HN 0.408 nan 8.360 nan 0.000 0.458 337 M N 0.965 120.570 119.600 0.008 0.000 2.099 337 M HA -0.105 4.375 4.480 0.001 0.000 0.262 337 M C 2.313 178.584 176.300 -0.048 0.000 1.067 337 M CA 2.158 57.448 55.300 -0.016 0.000 1.124 337 M CB -0.254 32.350 32.600 0.007 0.000 1.353 337 M HN 0.173 nan 8.290 nan 0.000 0.410 338 T N -0.129 114.431 114.554 0.010 0.000 2.788 338 T HA -0.114 4.237 4.350 0.001 0.000 0.268 338 T C 1.812 176.506 174.700 -0.009 0.000 1.044 338 T CA 1.165 63.292 62.100 0.044 0.000 1.139 338 T CB -0.264 68.681 68.868 0.127 0.000 0.867 338 T HN 0.351 nan 8.240 nan 0.000 0.454 339 R N 0.454 120.951 120.500 -0.005 0.000 2.075 339 R HA 0.098 4.438 4.340 0.001 0.000 0.232 339 R C 2.624 178.889 176.300 -0.060 0.000 1.126 339 R CA 1.291 57.381 56.100 -0.017 0.000 0.963 339 R CB -0.305 29.994 30.300 -0.001 0.000 0.858 339 R HN 0.387 nan 8.270 nan 0.000 0.435 340 M N -0.271 119.287 119.600 -0.070 0.000 2.117 340 M HA -0.160 4.321 4.480 0.001 0.000 0.262 340 M C 2.234 178.417 176.300 -0.196 0.000 1.065 340 M CA 1.693 56.944 55.300 -0.082 0.000 1.114 340 M CB -0.236 32.344 32.600 -0.034 0.000 1.361 340 M HN 0.089 nan 8.290 nan 0.000 0.408 341 R N -0.048 120.255 120.500 -0.328 0.000 2.070 341 R HA -0.125 4.215 4.340 0.001 0.000 0.233 341 R C 2.249 178.191 176.300 -0.596 0.000 1.137 341 R CA 1.719 57.423 56.100 -0.660 0.000 0.945 341 R CB -0.403 29.169 30.300 -1.214 0.000 0.845 341 R HN 0.355 nan 8.270 nan 0.000 0.430 342 M N 0.911 120.308 119.600 -0.338 0.000 2.117 342 M HA -0.174 4.306 4.480 0.001 0.000 0.262 342 M C 1.621 177.881 176.300 -0.067 0.000 1.065 342 M CA 1.732 57.010 55.300 -0.037 0.000 1.114 342 M CB 0.104 32.753 32.600 0.081 0.000 1.361 342 M HN 0.091 nan 8.290 nan 0.000 0.408 343 E N -0.293 119.854 120.200 -0.088 0.000 2.153 343 E HA -0.202 4.148 4.350 0.001 0.000 0.194 343 E C 1.709 178.263 176.600 -0.076 0.000 0.988 343 E CA 1.512 57.871 56.400 -0.068 0.000 0.811 343 E CB -0.031 29.638 29.700 -0.052 0.000 0.746 343 E HN 0.597 nan 8.360 nan 0.000 0.466 344 M N -0.708 118.825 119.600 -0.112 0.000 2.367 344 M HA 0.134 4.614 4.480 0.001 0.000 0.256 344 M C 1.103 177.341 176.300 -0.103 0.000 1.091 344 M CA 0.320 55.554 55.300 -0.110 0.000 1.049 344 M CB 0.879 33.392 32.600 -0.144 0.000 1.406 344 M HN 0.038 nan 8.290 nan 0.000 0.498 345 L N -1.289 119.868 121.223 -0.109 0.000 2.966 345 L HA 0.403 4.743 4.340 0.001 0.000 0.262 345 L C 1.291 178.195 176.870 0.057 0.000 1.165 345 L CA -0.015 54.800 54.840 -0.041 0.000 0.978 345 L CB 0.278 42.288 42.059 -0.081 0.000 1.337 345 L HN 0.447 nan 8.230 nan 0.000 0.563 346 G N 1.988 110.813 108.800 0.041 0.000 2.602 346 G HA2 -0.433 3.528 3.960 0.001 0.000 0.310 346 G HA3 -0.433 3.528 3.960 0.001 0.000 0.310 346 G C 0.744 175.754 174.900 0.183 0.000 1.183 346 G CA 0.879 46.017 45.100 0.062 0.000 0.979 346 G HN 0.325 nan 8.290 nan 0.000 0.545 347 T N -2.316 112.314 114.554 0.126 0.000 3.132 347 T HA 0.515 4.865 4.350 0.001 0.000 0.274 347 T C 1.366 176.090 174.700 0.040 0.000 1.011 347 T CA 1.177 63.307 62.100 0.050 0.000 0.899 347 T CB 0.254 69.107 68.868 -0.025 0.000 1.089 347 T HN 1.655 nan 8.240 nan 0.000 0.543 348 S N 1.637 117.441 115.700 0.174 0.000 2.930 348 S HA 0.497 4.967 4.470 0.001 0.000 0.257 348 S C -0.011 174.722 174.600 0.221 0.000 1.208 348 S CA -1.059 57.224 58.200 0.138 0.000 1.233 348 S CB -1.561 61.705 63.200 0.109 0.000 0.900 348 S HN 0.689 nan 8.310 nan 0.000 0.472 349 F N -2.094 117.829 119.950 -0.046 0.000 2.745 349 F HA 0.712 5.240 4.527 0.001 0.000 0.316 349 F C -1.491 174.277 175.800 -0.054 0.000 1.155 349 F CA -1.810 56.154 58.000 -0.059 0.000 0.937 349 F CB 0.871 39.835 39.000 -0.061 0.000 1.361 349 F HN -0.085 nan 8.300 nan 0.000 0.472 350 I N 2.312 122.863 120.570 -0.033 0.000 2.359 350 I HA 0.299 4.470 4.170 0.001 0.000 0.284 350 I C -1.985 174.139 176.117 0.012 0.000 1.018 350 I CA -1.917 59.308 61.300 -0.124 0.000 1.173 350 I CB 1.540 39.561 38.000 0.035 0.000 1.326 350 I HN 0.426 nan 8.210 nan 0.000 0.462 351 P HA -0.172 nan 4.420 nan 0.000 0.215 351 P C 0.115 177.493 177.300 0.130 0.000 1.157 351 P CA 1.371 64.492 63.100 0.035 0.000 0.874 351 P CB 0.235 31.794 31.700 -0.235 0.000 0.790 352 Q N -2.420 117.456 119.800 0.127 0.000 2.534 352 Q HA 0.350 4.691 4.340 0.001 0.000 0.290 352 Q C -1.411 174.753 176.000 0.274 0.000 0.991 352 Q CA -0.818 55.071 55.803 0.143 0.000 0.783 352 Q CB 1.134 29.860 28.738 -0.019 0.000 1.470 352 Q HN 0.240 nan 8.270 nan 0.000 0.406 353 H N -1.067 118.014 119.070 0.018 0.000 3.016 353 H HA 0.485 5.041 4.556 0.001 0.000 0.362 353 H C -0.543 174.664 175.328 -0.202 0.000 1.233 353 H CA -0.130 55.959 56.048 0.068 0.000 1.124 353 H CB 1.402 31.271 29.762 0.179 0.000 1.850 353 H HN 0.684 nan 8.280 nan 0.000 0.549 354 S N -0.197 115.356 115.700 -0.244 0.000 2.421 354 S HA -0.080 4.391 4.470 0.001 0.000 0.224 354 S C 0.611 175.067 174.600 -0.239 0.000 1.035 354 S CA 0.869 58.803 58.200 -0.443 0.000 0.953 354 S CB -0.217 62.776 63.200 -0.345 0.000 0.810 354 S HN 0.787 nan 8.310 nan 0.000 0.497 355 D N 1.155 121.551 120.400 -0.007 0.000 3.041 355 D HA -0.144 4.496 4.640 0.001 0.000 0.220 355 D C 0.186 176.491 176.300 0.008 0.000 1.157 355 D CA 0.844 54.892 54.000 0.080 0.000 0.876 355 D CB -1.492 39.491 40.800 0.306 0.000 1.107 355 D HN 0.761 nan 8.370 nan 0.000 0.422 356 A N 0.169 122.919 122.820 -0.116 0.000 2.546 356 A HA 0.174 4.494 4.320 0.001 0.000 0.243 356 A C 1.387 178.937 177.584 -0.057 0.000 1.063 356 A CA 0.672 52.610 52.037 -0.164 0.000 0.757 356 A CB 0.388 19.293 19.000 -0.160 0.000 0.991 356 A HN 0.349 nan 8.150 nan 0.000 0.503 357 R N 1.187 121.623 120.500 -0.106 0.000 2.250 357 R HA 0.200 4.541 4.340 0.001 0.000 0.194 357 R C -0.631 175.674 176.300 0.008 0.000 0.927 357 R CA 0.344 56.459 56.100 0.024 0.000 1.052 357 R CB 0.606 30.953 30.300 0.079 0.000 1.055 357 R HN 0.519 nan 8.270 nan 0.000 0.537 358 V N 1.880 121.729 119.914 -0.108 0.000 2.444 358 V HA 0.039 4.160 4.120 0.001 0.000 0.294 358 V C 0.886 176.978 176.094 -0.004 0.000 1.022 358 V CA -0.430 61.851 62.300 -0.031 0.000 0.850 358 V CB 1.804 33.568 31.823 -0.098 0.000 0.992 358 V HN 0.085 nan 8.190 nan 0.000 0.426 359 L N 4.789 126.077 121.223 0.109 0.000 2.040 359 L HA -0.245 4.095 4.340 0.001 0.000 0.228 359 L C 2.218 179.139 176.870 0.086 0.000 1.092 359 L CA 2.426 57.339 54.840 0.121 0.000 0.805 359 L CB -0.390 41.780 42.059 0.185 0.000 0.905 359 L HN 0.811 nan 8.230 nan 0.000 0.443 360 E N -0.630 119.641 120.200 0.118 0.000 2.209 360 E HA -0.243 4.108 4.350 0.001 0.000 0.196 360 E C 2.135 178.761 176.600 0.043 0.000 0.993 360 E CA 1.275 57.745 56.400 0.116 0.000 0.819 360 E CB -0.294 29.507 29.700 0.168 0.000 0.745 360 E HN 0.673 nan 8.360 nan 0.000 0.477 361 Q N 0.119 119.887 119.800 -0.054 0.000 2.197 361 Q HA -0.180 4.161 4.340 0.001 0.000 0.207 361 Q C 2.095 177.897 176.000 -0.331 0.000 0.984 361 Q CA 1.003 56.662 55.803 -0.240 0.000 0.869 361 Q CB -0.323 28.163 28.738 -0.420 0.000 0.906 361 Q HN 0.364 nan 8.270 nan 0.000 0.426 362 L N 0.378 121.527 121.223 -0.124 0.000 2.137 362 L HA -0.266 4.074 4.340 0.001 0.000 0.213 362 L C 2.235 179.161 176.870 0.093 0.000 1.085 362 L CA 1.087 55.948 54.840 0.036 0.000 0.760 362 L CB -0.544 41.588 42.059 0.122 0.000 0.893 362 L HN 0.311 nan 8.230 nan 0.000 0.434 363 I N -0.915 119.683 120.570 0.047 0.000 2.090 363 I HA -0.346 3.825 4.170 0.001 0.000 0.236 363 I C 2.646 178.823 176.117 0.101 0.000 1.064 363 I CA 1.910 63.273 61.300 0.105 0.000 1.324 363 I CB -0.589 37.477 38.000 0.111 0.000 1.044 363 I HN 0.276 nan 8.210 nan 0.000 0.399 364 Y N 1.376 121.615 120.300 -0.102 0.000 2.220 364 Y HA -0.077 4.474 4.550 0.001 0.000 0.291 364 Y C 2.341 178.007 175.900 -0.389 0.000 1.129 364 Y CA 0.856 58.738 58.100 -0.364 0.000 1.161 364 Y CB -0.867 37.271 38.460 -0.537 0.000 0.997 364 Y HN -0.164 nan 8.280 nan 0.000 0.522 365 K N 0.459 120.301 120.400 -0.931 0.000 2.034 365 K HA -0.214 4.106 4.320 0.001 0.000 0.214 365 K C 1.634 177.931 176.600 -0.505 0.000 1.051 365 K CA 2.651 58.433 56.287 -0.841 0.000 0.931 365 K CB -0.926 31.018 32.500 -0.925 0.000 0.715 365 K HN 0.619 nan 8.250 nan 0.000 0.446 366 W N -0.692 120.544 121.300 -0.107 0.000 2.518 366 W HA -0.059 4.601 4.660 0.001 0.000 0.273 366 W C 2.435 178.997 176.519 0.073 0.000 1.247 366 W CA 0.831 58.175 57.345 -0.000 0.000 1.288 366 W CB -0.216 29.222 29.460 -0.035 0.000 1.107 366 W HN 0.310 nan 8.180 nan 0.000 0.586 367 H N -0.341 118.840 119.070 0.186 0.000 2.299 367 H HA -0.142 4.415 4.556 0.001 0.000 0.302 367 H C 1.853 177.354 175.328 0.288 0.000 1.078 367 H CA 2.295 58.468 56.048 0.207 0.000 1.323 367 H CB -0.625 29.251 29.762 0.189 0.000 1.381 367 H HN 0.282 nan 8.280 nan 0.000 0.498 368 H N -0.690 118.610 119.070 0.385 0.000 2.352 368 H HA -0.077 4.480 4.556 0.001 0.000 0.299 368 H C 2.477 177.919 175.328 0.190 0.000 1.097 368 H CA 1.026 57.242 56.048 0.280 0.000 1.311 368 H CB 0.400 30.313 29.762 0.251 0.000 1.377 368 H HN 0.263 nan 8.280 nan 0.000 0.504 369 S N 0.324 116.182 115.700 0.265 0.000 2.377 369 S HA -0.067 4.404 4.470 0.001 0.000 0.223 369 S C 1.905 176.665 174.600 0.266 0.000 1.030 369 S CA 0.666 58.983 58.200 0.196 0.000 0.970 369 S CB 0.072 63.308 63.200 0.059 0.000 0.830 369 S HN 0.335 nan 8.310 nan 0.000 0.473 370 K N 1.548 122.126 120.400 0.297 0.000 2.103 370 K HA -0.105 4.215 4.320 0.001 0.000 0.207 370 K C 2.536 179.245 176.600 0.181 0.000 1.048 370 K CA 1.610 58.053 56.287 0.260 0.000 0.930 370 K CB -0.281 32.277 32.500 0.096 0.000 0.716 370 K HN 0.477 nan 8.250 nan 0.000 0.444 371 S N 1.070 116.860 115.700 0.150 0.000 2.368 371 S HA -0.131 4.340 4.470 0.001 0.000 0.225 371 S C 2.028 176.710 174.600 0.136 0.000 1.030 371 S CA 0.966 59.241 58.200 0.125 0.000 0.999 371 S CB -0.534 62.752 63.200 0.143 0.000 0.844 371 S HN 0.198 nan 8.310 nan 0.000 0.459 372 I N 1.525 122.187 120.570 0.153 0.000 2.202 372 I HA -0.096 4.075 4.170 0.001 0.000 0.242 372 I C 2.434 178.637 176.117 0.144 0.000 1.091 372 I CA 1.254 62.633 61.300 0.132 0.000 1.368 372 I CB -0.440 37.636 38.000 0.126 0.000 1.058 372 I HN 0.262 nan 8.210 nan 0.000 0.410 373 I N 0.977 121.661 120.570 0.190 0.000 2.264 373 I HA -0.302 3.869 4.170 0.001 0.000 0.248 373 I C 2.819 179.052 176.117 0.193 0.000 1.111 373 I CA 1.320 62.744 61.300 0.207 0.000 1.382 373 I CB -0.520 37.673 38.000 0.321 0.000 1.060 373 I HN 0.203 nan 8.210 nan 0.000 0.418 374 A N 0.419 123.356 122.820 0.195 0.000 1.877 374 A HA -0.201 4.119 4.320 0.001 0.000 0.216 374 A C 2.256 179.921 177.584 0.136 0.000 1.186 374 A CA 1.479 53.616 52.037 0.168 0.000 0.620 374 A CB -0.455 18.624 19.000 0.132 0.000 0.822 374 A HN 0.295 nan 8.150 nan 0.000 0.443 375 E N -0.064 120.205 120.200 0.115 0.000 2.118 375 E HA -0.135 4.216 4.350 0.001 0.000 0.195 375 E C 2.219 178.869 176.600 0.084 0.000 0.992 375 E CA 1.350 57.806 56.400 0.094 0.000 0.804 375 E CB -0.615 29.134 29.700 0.081 0.000 0.741 375 E HN 0.386 nan 8.360 nan 0.000 0.458 376 V N 1.272 121.236 119.914 0.083 0.000 2.295 376 V HA -0.241 3.879 4.120 0.001 0.000 0.246 376 V C 2.604 178.716 176.094 0.030 0.000 1.049 376 V CA 1.378 63.713 62.300 0.058 0.000 1.024 376 V CB -0.555 31.309 31.823 0.069 0.000 0.648 376 V HN 0.200 nan 8.190 nan 0.000 0.447 377 L N -0.617 120.631 121.223 0.041 0.000 2.012 377 L HA -0.234 4.106 4.340 0.001 0.000 0.210 377 L C 2.392 179.299 176.870 0.062 0.000 1.073 377 L CA 1.814 56.635 54.840 -0.032 0.000 0.748 377 L CB -0.522 41.598 42.059 0.101 0.000 0.891 377 L HN 0.276 nan 8.230 nan 0.000 0.431 378 I N -0.357 120.307 120.570 0.157 0.000 2.163 378 I HA -0.341 3.830 4.170 0.001 0.000 0.243 378 I C 2.149 178.349 176.117 0.138 0.000 1.085 378 I CA 1.361 62.774 61.300 0.188 0.000 1.347 378 I CB -0.436 37.646 38.000 0.137 0.000 1.044 378 I HN 0.307 nan 8.210 nan 0.000 0.408 379 D N 0.784 121.232 120.400 0.080 0.000 2.117 379 D HA -0.156 4.484 4.640 0.001 0.000 0.197 379 D C 2.185 178.507 176.300 0.037 0.000 0.987 379 D CA 1.272 55.305 54.000 0.056 0.000 0.829 379 D CB -0.067 40.755 40.800 0.037 0.000 0.961 379 D HN 0.127 nan 8.370 nan 0.000 0.460 380 K N -0.251 120.139 120.400 -0.017 0.000 2.103 380 K HA -0.061 4.259 4.320 0.001 0.000 0.204 380 K C 2.017 178.598 176.600 -0.032 0.000 1.052 380 K CA 0.612 56.856 56.287 -0.072 0.000 0.945 380 K CB -0.566 31.833 32.500 -0.168 0.000 0.722 380 K HN 0.200 nan 8.250 nan 0.000 0.443 381 Y N 0.969 121.299 120.300 0.050 0.000 2.200 381 Y HA -0.174 4.377 4.550 0.001 0.000 0.290 381 Y C 2.100 178.043 175.900 0.072 0.000 1.137 381 Y CA 1.356 59.495 58.100 0.065 0.000 1.163 381 Y CB -0.733 37.775 38.460 0.080 0.000 0.988 381 Y HN 0.172 nan 8.280 nan 0.000 0.518 382 D N -0.264 120.274 120.400 0.229 0.000 2.149 382 D HA -0.171 4.469 4.640 0.001 0.000 0.198 382 D C 1.566 177.936 176.300 0.117 0.000 0.990 382 D CA 1.505 55.596 54.000 0.151 0.000 0.839 382 D CB -0.109 40.760 40.800 0.115 0.000 0.948 382 D HN 0.169 nan 8.370 nan 0.000 0.460 383 D N -0.361 120.094 120.400 0.091 0.000 2.117 383 D HA -0.101 4.539 4.640 0.001 0.000 0.197 383 D C 2.164 178.507 176.300 0.071 0.000 0.987 383 D CA 0.996 55.033 54.000 0.062 0.000 0.829 383 D CB -0.259 40.558 40.800 0.029 0.000 0.961 383 D HN 0.561 nan 8.370 nan 0.000 0.460 384 I N -1.985 118.636 120.570 0.085 0.000 2.761 384 I HA -0.055 4.115 4.170 0.001 0.000 0.261 384 I C 2.025 178.263 176.117 0.202 0.000 1.198 384 I CA 0.338 61.693 61.300 0.092 0.000 1.482 384 I CB -0.160 37.831 38.000 -0.015 0.000 1.100 384 I HN -0.133 nan 8.210 nan 0.000 0.445 385 L N 1.192 122.538 121.223 0.205 0.000 2.017 385 L HA -0.138 4.203 4.340 0.001 0.000 0.208 385 L C 2.644 179.599 176.870 0.142 0.000 1.073 385 L CA 1.838 56.796 54.840 0.197 0.000 0.745 385 L CB -0.857 41.297 42.059 0.159 0.000 0.894 385 L HN 0.264 nan 8.230 nan 0.000 0.432 386 Q N -0.809 119.058 119.800 0.112 0.000 2.364 386 Q HA -0.011 4.330 4.340 0.001 0.000 0.209 386 Q C 1.709 177.760 176.000 0.085 0.000 0.977 386 Q CA 1.130 56.983 55.803 0.084 0.000 0.885 386 Q CB -0.379 28.398 28.738 0.066 0.000 0.941 386 Q HN 0.560 nan 8.270 nan 0.000 0.464 387 A N -0.468 122.417 122.820 0.109 0.000 2.370 387 A HA 0.429 4.750 4.320 0.001 0.000 0.238 387 A C 1.275 178.945 177.584 0.142 0.000 1.289 387 A CA 0.577 52.679 52.037 0.109 0.000 0.885 387 A CB -0.149 18.911 19.000 0.100 0.000 0.961 387 A HN 0.336 nan 8.150 nan 0.000 0.499 388 G N -1.827 107.057 108.800 0.139 0.000 2.143 388 G HA2 -0.266 3.694 3.960 0.001 0.000 0.248 388 G HA3 -0.266 3.694 3.960 0.001 0.000 0.248 388 G C 0.020 175.023 174.900 0.170 0.000 0.991 388 G CA 0.261 45.435 45.100 0.124 0.000 0.689 388 G HN 0.778 nan 8.290 nan 0.000 0.522 389 W N 0.873 122.193 121.300 0.034 0.000 2.375 389 W HA 0.681 5.342 4.660 0.001 0.000 0.336 389 W C -0.467 176.072 176.519 0.034 0.000 1.160 389 W CA -0.553 56.814 57.345 0.037 0.000 1.266 389 W CB 1.035 30.525 29.460 0.050 0.000 1.195 389 W HN 0.174 nan 8.180 nan 0.000 0.599 390 E N 3.278 123.160 120.200 -0.529 0.000 2.155 390 E HA 0.231 4.582 4.350 0.001 0.000 0.264 390 E C -1.013 175.454 176.600 -0.222 0.000 0.886 390 E CA -0.609 55.628 56.400 -0.272 0.000 0.752 390 E CB 2.572 32.112 29.700 -0.267 0.000 1.133 390 E HN 0.189 nan 8.360 nan 0.000 0.414 391 V N 4.024 123.968 119.914 0.050 0.000 2.394 391 V HA 0.364 4.485 4.120 0.001 0.000 0.282 391 V C -0.035 176.039 176.094 -0.033 0.000 1.031 391 V CA -0.191 62.162 62.300 0.088 0.000 0.881 391 V CB 1.438 33.306 31.823 0.074 0.000 0.982 391 V HN 0.815 nan 8.190 nan 0.000 0.451 392 T N 1.726 116.263 114.554 -0.028 0.000 2.922 392 T HA 0.330 4.681 4.350 0.001 0.000 0.285 392 T C 0.925 175.589 174.700 -0.061 0.000 1.005 392 T CA 0.106 62.180 62.100 -0.044 0.000 1.061 392 T CB 1.368 70.220 68.868 -0.027 0.000 1.007 392 T HN 0.812 nan 8.240 nan 0.000 0.502 393 E N 0.175 120.341 120.200 -0.055 0.000 2.153 393 E HA -0.183 4.168 4.350 0.001 0.000 0.194 393 E C 1.667 178.247 176.600 -0.033 0.000 0.988 393 E CA 0.982 57.348 56.400 -0.056 0.000 0.811 393 E CB 0.091 29.769 29.700 -0.037 0.000 0.746 393 E HN 0.648 nan 8.360 nan 0.000 0.466 394 E N 0.537 120.728 120.200 -0.016 0.000 2.150 394 E HA -0.162 4.189 4.350 0.001 0.000 0.193 394 E C 1.810 178.424 176.600 0.023 0.000 0.985 394 E CA 0.858 57.261 56.400 0.005 0.000 0.814 394 E CB -0.053 29.651 29.700 0.007 0.000 0.752 394 E HN 0.442 nan 8.360 nan 0.000 0.466 395 E N 0.442 120.657 120.200 0.025 0.000 2.107 395 E HA -0.070 4.281 4.350 0.001 0.000 0.191 395 E C 2.249 178.893 176.600 0.074 0.000 0.982 395 E CA 0.507 56.947 56.400 0.068 0.000 0.809 395 E CB -0.081 29.681 29.700 0.102 0.000 0.756 395 E HN 0.224 nan 8.360 nan 0.000 0.459 396 I N 1.392 121.954 120.570 -0.013 0.000 2.226 396 I HA -0.301 3.870 4.170 0.001 0.000 0.245 396 I C 2.220 178.393 176.117 0.092 0.000 1.100 396 I CA 1.302 62.595 61.300 -0.013 0.000 1.374 396 I CB -0.224 37.668 38.000 -0.180 0.000 1.057 396 I HN 0.029 nan 8.210 nan 0.000 0.413 397 K N 0.235 120.666 120.400 0.053 0.000 2.147 397 K HA -0.188 4.132 4.320 0.001 0.000 0.205 397 K C 2.255 178.905 176.600 0.083 0.000 1.049 397 K CA 0.956 57.280 56.287 0.062 0.000 0.936 397 K CB -0.193 32.327 32.500 0.032 0.000 0.722 397 K HN 0.280 nan 8.250 nan 0.000 0.446 398 R N 1.399 121.950 120.500 0.085 0.000 2.062 398 R HA -0.149 4.191 4.340 0.001 0.000 0.231 398 R C 1.345 177.711 176.300 0.110 0.000 1.136 398 R CA 1.924 58.077 56.100 0.089 0.000 0.948 398 R CB -0.124 30.227 30.300 0.085 0.000 0.845 398 R HN 0.102 nan 8.270 nan 0.000 0.430 399 D N 0.314 120.800 120.400 0.143 0.000 2.104 399 D HA -0.147 4.493 4.640 0.001 0.000 0.194 399 D C 1.999 178.380 176.300 0.134 0.000 0.994 399 D CA 1.334 55.422 54.000 0.148 0.000 0.830 399 D CB -0.296 40.651 40.800 0.244 0.000 0.959 399 D HN 0.127 nan 8.370 nan 0.000 0.452 400 V N 1.444 121.473 119.914 0.192 0.000 2.490 400 V HA -0.211 3.909 4.120 0.001 0.000 0.250 400 V C 2.515 178.771 176.094 0.270 0.000 1.061 400 V CA 1.614 64.075 62.300 0.269 0.000 1.064 400 V CB -0.721 31.259 31.823 0.261 0.000 0.670 400 V HN 0.186 nan 8.190 nan 0.000 0.461 401 A N -0.246 122.673 122.820 0.166 0.000 1.933 401 A HA -0.222 4.098 4.320 0.001 0.000 0.218 401 A C 2.028 179.686 177.584 0.125 0.000 1.175 401 A CA 1.868 53.989 52.037 0.140 0.000 0.628 401 A CB -0.486 18.573 19.000 0.098 0.000 0.814 401 A HN 0.539 nan 8.150 nan 0.000 0.444 402 D N 0.290 120.740 120.400 0.082 0.000 2.084 402 D HA -0.120 4.521 4.640 0.001 0.000 0.194 402 D C 2.055 178.328 176.300 -0.046 0.000 0.990 402 D CA 1.293 55.313 54.000 0.033 0.000 0.826 402 D CB -0.452 40.353 40.800 0.010 0.000 0.971 402 D HN 0.441 nan 8.370 nan 0.000 0.453 403 L N -0.356 120.783 121.223 -0.140 0.000 2.013 403 L HA -0.182 4.159 4.340 0.001 0.000 0.212 403 L C 2.195 178.806 176.870 -0.431 0.000 1.073 403 L CA 1.176 55.770 54.840 -0.410 0.000 0.753 403 L CB -0.461 41.250 42.059 -0.579 0.000 0.890 403 L HN -0.024 nan 8.230 nan 0.000 0.432 404 F N -2.092 117.835 119.950 -0.038 0.000 2.765 404 F HA 0.059 4.587 4.527 0.001 0.000 0.302 404 F C 1.950 177.717 175.800 -0.054 0.000 1.111 404 F CA 0.531 58.501 58.000 -0.051 0.000 1.359 404 F CB 0.464 39.412 39.000 -0.086 0.000 1.097 404 F HN 0.012 nan 8.300 nan 0.000 0.577 405 S N -1.142 114.643 115.700 0.141 0.000 3.897 405 S HA 0.083 4.554 4.470 0.001 0.000 0.214 405 S C 1.754 176.515 174.600 0.268 0.000 1.102 405 S CA -0.186 58.130 58.200 0.193 0.000 1.116 405 S CB -0.345 62.990 63.200 0.225 0.000 1.288 405 S HN 0.070 nan 8.310 nan 0.000 0.458 406 R N 1.620 122.249 120.500 0.216 0.000 2.081 406 R HA 0.047 4.388 4.340 0.001 0.000 0.235 406 R C 1.745 178.145 176.300 0.167 0.000 1.131 406 R CA 1.825 58.053 56.100 0.214 0.000 0.960 406 R CB -0.428 29.956 30.300 0.141 0.000 0.856 406 R HN 0.413 nan 8.270 nan 0.000 0.436 407 N N 0.579 119.337 118.700 0.098 0.000 2.104 407 N HA -0.201 4.540 4.740 0.001 0.000 0.190 407 N C 1.479 177.045 175.510 0.093 0.000 1.024 407 N CA 1.205 54.299 53.050 0.072 0.000 0.853 407 N CB -0.421 38.063 38.487 -0.004 0.000 1.008 407 N HN 0.116 nan 8.380 nan 0.000 0.424 408 F N 0.369 120.257 119.950 -0.103 0.000 2.031 408 F HA -0.150 4.377 4.527 0.001 0.000 0.295 408 F C 1.996 177.703 175.800 -0.155 0.000 1.133 408 F CA 1.475 59.340 58.000 -0.225 0.000 1.188 408 F CB -0.868 37.838 39.000 -0.490 0.000 0.974 408 F HN 0.040 nan 8.300 nan 0.000 0.473 409 W N 0.681 121.930 121.300 -0.085 0.000 2.342 409 W HA -0.179 4.481 4.660 0.001 0.000 0.297 409 W C 2.818 179.248 176.519 -0.149 0.000 1.213 409 W CA 1.463 58.692 57.345 -0.193 0.000 1.251 409 W CB -0.509 28.936 29.460 -0.025 0.000 1.136 409 W HN -0.001 nan 8.180 nan 0.000 0.526 410 R N -0.212 120.379 120.500 0.152 0.000 2.073 410 R HA -0.199 4.141 4.340 0.001 0.000 0.234 410 R C 2.164 178.499 176.300 0.059 0.000 1.134 410 R CA 1.781 57.944 56.100 0.105 0.000 0.952 410 R CB -0.876 29.495 30.300 0.118 0.000 0.850 410 R HN 0.189 nan 8.270 nan 0.000 0.433 411 F N 1.198 121.079 119.950 -0.115 0.000 2.113 411 F HA -0.155 4.372 4.527 0.000 0.000 0.297 411 F C 1.966 177.655 175.800 -0.186 0.000 1.103 411 F CA 1.647 59.567 58.000 -0.132 0.000 1.248 411 F CB -0.184 38.734 39.000 -0.137 0.000 0.999 411 F HN -0.043 nan 8.300 nan 0.000 0.475 412 V N -0.693 119.083 119.914 -0.230 0.000 3.444 412 V HA 0.207 4.328 4.120 0.001 0.000 0.271 412 V C 1.346 177.342 176.094 -0.164 0.000 1.188 412 V CA 0.212 62.346 62.300 -0.276 0.000 1.168 412 V CB -1.978 29.571 31.823 -0.456 0.000 0.810 412 V HN 0.555 nan 8.190 nan 0.000 0.500 413 G N 0.000 108.726 108.800 -0.124 0.000 5.446 413 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 413 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 413 G CA 0.000 45.061 45.100 -0.065 0.000 0.502 413 G HN 0.000 nan 8.290 nan 0.000 0.925