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 2wrq_1_Z DATA FIRST_RESID 8 DATA SEQUENCE TKPHVNVGTI GHVDHGKTTL TAALTYVAAA ENPNVXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXH VEYETAKRHY SHVDCPGHAD YIKNMITGAA QMDGAILVVS DATA SEQUENCE AADGPMPQTR EHILLARQVG VPYIVVFMNK VDMVDDPELL DLVEMEVRDL DATA SEQUENCE LNQYEFPGDE VPVIRGSALL ALEQMHRNPK TRRGENEWVD KIWELLDAID DATA SEQUENCE EYIPTPVRDV DKPFLMPVED VFTITGRGTV ATGRIERGKV KVGDEVEIVG DATA SEQUENCE LAPETRRTVV TGVEMHRKTL QEGIAGDNVG VLLRGVSREE VERGQVLAKP DATA SEQUENCE GSITPHTKFE ASVYVLKKEE GGRHTGFFSG YRPQFYFRTT DVTGVVQLPP DATA SEQUENCE GVEMVMPGDN VTFTVELIKP VALEEGLRFA IREGGRTVGA GVVTKILE 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.727 174.700 0.044 0.000 1.109 8 T CA 0.000 62.126 62.100 0.044 0.000 1.349 8 T CB 0.000 68.896 68.868 0.047 0.000 0.612 9 K N 3.522 123.958 120.400 0.060 0.000 2.484 9 K HA 0.342 4.662 4.320 0.000 0.000 0.280 9 K C -2.452 174.174 176.600 0.044 0.000 1.013 9 K CA -0.981 55.337 56.287 0.053 0.000 1.029 9 K CB -0.116 32.425 32.500 0.067 0.000 0.902 9 K HN 0.368 nan 8.250 nan 0.000 0.481 10 P HA -0.089 nan 4.420 nan 0.000 0.266 10 P C -0.542 176.746 177.300 -0.020 0.000 1.186 10 P CA 0.502 63.597 63.100 -0.008 0.000 0.767 10 P CB 0.341 32.024 31.700 -0.027 0.000 0.820 11 H N 1.658 120.637 119.070 -0.151 0.000 2.529 11 H HA 0.692 5.248 4.556 0.000 0.000 0.348 11 H C -1.411 173.798 175.328 -0.200 0.000 1.152 11 H CA -0.782 55.133 56.048 -0.223 0.000 1.202 11 H CB 1.064 30.660 29.762 -0.276 0.000 1.562 11 H HN 0.052 nan 8.280 nan 0.000 0.515 12 V N 5.374 124.750 119.914 -0.896 0.000 2.655 12 V HA 0.175 4.295 4.120 0.000 0.000 0.301 12 V C -0.910 174.948 176.094 -0.393 0.000 1.082 12 V CA -1.224 60.689 62.300 -0.646 0.000 0.899 12 V CB 1.753 33.416 31.823 -0.268 0.000 1.014 12 V HN 0.982 nan 8.190 nan 0.000 0.429 13 N N 4.922 123.423 118.700 -0.332 0.000 2.442 13 N HA 0.412 5.152 4.740 0.000 0.000 0.265 13 N C -0.229 175.280 175.510 -0.002 0.000 1.138 13 N CA -0.130 52.896 53.050 -0.039 0.000 0.956 13 N CB 2.126 40.611 38.487 -0.004 0.000 1.067 13 N HN 0.592 nan 8.380 nan 0.000 0.474 14 V N -1.379 118.532 119.914 -0.005 0.000 3.119 14 V HA 1.028 5.148 4.120 0.000 0.000 0.311 14 V C 0.371 176.270 176.094 -0.326 0.000 1.259 14 V CA -0.641 61.583 62.300 -0.127 0.000 1.067 14 V CB 1.490 33.231 31.823 -0.136 0.000 1.123 14 V HN 0.850 nan 8.190 nan 0.000 0.463 15 G N -0.372 108.150 108.800 -0.464 0.000 2.489 15 G HA2 0.701 4.661 3.960 0.000 0.000 0.305 15 G HA3 0.701 4.661 3.960 0.000 0.000 0.305 15 G C -0.764 173.986 174.900 -0.250 0.000 1.311 15 G CA 0.128 44.923 45.100 -0.508 0.000 0.813 15 G HN 1.500 nan 8.290 nan 0.000 0.480 16 T N -1.731 112.903 114.554 0.134 0.000 2.910 16 T HA 0.845 5.195 4.350 0.000 0.000 0.287 16 T C 0.145 174.919 174.700 0.124 0.000 1.050 16 T CA -0.179 62.010 62.100 0.148 0.000 1.011 16 T CB 1.789 70.795 68.868 0.230 0.000 1.195 16 T HN 1.590 nan 8.240 nan 0.000 0.540 17 I N -3.885 116.754 120.570 0.115 0.000 3.421 17 I HA 0.845 5.015 4.170 0.000 0.000 0.319 17 I C 0.016 176.201 176.117 0.113 0.000 1.258 17 I CA -1.082 60.295 61.300 0.128 0.000 0.913 17 I CB 1.323 39.401 38.000 0.130 0.000 1.328 17 I HN 1.288 nan 8.210 nan 0.000 0.480 18 G N 0.601 109.460 108.800 0.098 0.000 2.362 18 G HA2 0.031 3.991 3.960 0.000 0.000 0.517 18 G HA3 0.031 3.991 3.960 0.000 0.000 0.517 18 G C -1.551 173.312 174.900 -0.061 0.000 1.256 18 G CA -0.283 44.872 45.100 0.091 0.000 1.027 18 G HN 1.206 nan 8.290 nan 0.000 0.491 19 H N -0.001 118.995 119.070 -0.124 0.000 2.562 19 H HA 0.540 5.096 4.556 0.000 0.000 0.352 19 H C 0.927 176.060 175.328 -0.325 0.000 1.125 19 H CA 0.355 56.206 56.048 -0.328 0.000 1.379 19 H CB 1.401 30.852 29.762 -0.519 0.000 1.464 19 H HN 0.905 nan 8.280 nan 0.000 0.563 20 V N 3.987 123.508 119.914 -0.655 0.000 3.032 20 V HA -0.109 4.011 4.120 0.000 0.000 0.307 20 V C 0.676 176.745 176.094 -0.041 0.000 1.097 20 V CA 1.456 63.572 62.300 -0.306 0.000 1.191 20 V CB -0.020 31.605 31.823 -0.330 0.000 0.964 20 V HN 1.195 nan 8.190 nan 0.000 0.494 21 D N 1.049 121.445 120.400 -0.007 0.000 2.758 21 D HA -0.267 4.373 4.640 0.000 0.000 0.191 21 D C 1.059 177.448 176.300 0.147 0.000 1.036 21 D CA 2.153 56.186 54.000 0.054 0.000 1.030 21 D CB -1.329 39.506 40.800 0.058 0.000 1.109 21 D HN 0.986 nan 8.370 nan 0.000 0.430 22 H N -1.349 117.780 119.070 0.098 0.000 2.352 22 H HA 0.037 4.593 4.556 0.000 0.000 0.299 22 H C 1.972 177.330 175.328 0.050 0.000 1.097 22 H CA 1.233 57.326 56.048 0.075 0.000 1.311 22 H CB 0.072 29.890 29.762 0.092 0.000 1.377 22 H HN 0.362 nan 8.280 nan 0.000 0.504 23 G N -0.298 108.607 108.800 0.175 0.000 2.321 23 G HA2 -0.206 3.754 3.960 0.000 0.000 0.174 23 G HA3 -0.206 3.754 3.960 0.000 0.000 0.174 23 G C 1.112 176.056 174.900 0.073 0.000 1.008 23 G CA 0.246 45.401 45.100 0.092 0.000 0.739 23 G HN 0.449 nan 8.290 nan 0.000 0.502 24 K N -0.182 120.275 120.400 0.094 0.000 2.160 24 K HA -0.094 4.226 4.320 0.000 0.000 0.206 24 K C 1.943 178.554 176.600 0.019 0.000 1.047 24 K CA 1.954 58.286 56.287 0.074 0.000 0.930 24 K CB -0.552 32.001 32.500 0.088 0.000 0.720 24 K HN 0.176 nan 8.250 nan 0.000 0.450 25 T N 0.509 115.061 114.554 -0.003 0.000 2.777 25 T HA -0.128 4.222 4.350 0.000 0.000 0.266 25 T C 1.968 176.627 174.700 -0.068 0.000 1.040 25 T CA 1.936 64.011 62.100 -0.041 0.000 1.141 25 T CB -0.279 68.561 68.868 -0.046 0.000 0.868 25 T HN 0.522 nan 8.240 nan 0.000 0.444 26 T N 1.528 116.048 114.554 -0.057 0.000 2.937 26 T HA 0.026 4.376 4.350 0.000 0.000 0.260 26 T C 1.971 176.609 174.700 -0.104 0.000 1.051 26 T CA 0.671 62.719 62.100 -0.086 0.000 1.141 26 T CB -0.381 68.442 68.868 -0.074 0.000 0.879 26 T HN 0.207 nan 8.240 nan 0.000 0.459 27 L N 1.671 122.849 121.223 -0.076 0.000 2.081 27 L HA -0.057 4.283 4.340 0.000 0.000 0.212 27 L C 2.259 179.038 176.870 -0.152 0.000 1.080 27 L CA 2.361 57.126 54.840 -0.125 0.000 0.754 27 L CB -1.538 40.456 42.059 -0.107 0.000 0.893 27 L HN 0.199 nan 8.230 nan 0.000 0.433 28 T N 0.134 114.608 114.554 -0.134 0.000 2.803 28 T HA -0.143 4.207 4.350 0.000 0.000 0.269 28 T C 1.951 176.567 174.700 -0.140 0.000 1.052 28 T CA 1.387 63.371 62.100 -0.193 0.000 1.136 28 T CB -0.587 68.105 68.868 -0.293 0.000 0.864 28 T HN 0.613 nan 8.240 nan 0.000 0.467 29 A N 1.438 124.171 122.820 -0.145 0.000 1.873 29 A HA 0.208 4.528 4.320 0.000 0.000 0.215 29 A C 2.667 180.141 177.584 -0.183 0.000 1.186 29 A CA 1.728 53.667 52.037 -0.164 0.000 0.616 29 A CB -1.139 17.724 19.000 -0.229 0.000 0.823 29 A HN 0.501 nan 8.150 nan 0.000 0.442 30 A N 0.022 122.721 122.820 -0.201 0.000 1.858 30 A HA -0.067 4.253 4.320 0.000 0.000 0.216 30 A C 2.148 179.625 177.584 -0.179 0.000 1.190 30 A CA 1.487 53.407 52.037 -0.195 0.000 0.617 30 A CB -0.772 18.110 19.000 -0.196 0.000 0.827 30 A HN 0.475 nan 8.150 nan 0.000 0.443 31 L N -0.005 121.089 121.223 -0.215 0.000 2.034 31 L HA -0.280 4.060 4.340 0.000 0.000 0.217 31 L C 2.879 179.549 176.870 -0.333 0.000 1.077 31 L CA 2.179 56.817 54.840 -0.337 0.000 0.769 31 L CB -1.634 40.339 42.059 -0.144 0.000 0.890 31 L HN 0.738 nan 8.230 nan 0.000 0.435 32 T N -3.163 111.421 114.554 0.049 0.000 2.845 32 T HA -0.201 4.149 4.350 0.000 0.000 0.224 32 T C 1.362 176.114 174.700 0.087 0.000 1.102 32 T CA 0.849 63.060 62.100 0.185 0.000 1.937 32 T CB -0.794 68.213 68.868 0.231 0.000 1.225 32 T HN 0.153 nan 8.240 nan 0.000 0.383 33 Y N 1.377 121.646 120.300 -0.052 0.000 1.674 33 Y HA -0.373 4.177 4.550 0.000 0.000 0.120 33 Y C 2.746 178.603 175.900 -0.071 0.000 0.894 33 Y CA 1.921 59.987 58.100 -0.057 0.000 0.587 33 Y CB -1.691 36.725 38.460 -0.074 0.000 0.565 33 Y HN 0.186 nan 8.280 nan 0.000 0.702 34 V N -0.460 119.510 119.914 0.094 0.000 2.257 34 V HA -0.458 3.662 4.120 0.000 0.000 0.257 34 V C 2.309 178.347 176.094 -0.093 0.000 1.077 34 V CA 2.721 65.008 62.300 -0.022 0.000 1.063 34 V CB -1.714 29.993 31.823 -0.193 0.000 0.664 34 V HN 0.695 nan 8.190 nan 0.000 0.450 35 A N -0.765 121.926 122.820 -0.215 0.000 2.272 35 A HA 0.137 4.457 4.320 0.000 0.000 0.213 35 A C 2.121 179.681 177.584 -0.040 0.000 1.183 35 A CA 1.657 53.578 52.037 -0.194 0.000 0.719 35 A CB -0.554 18.288 19.000 -0.263 0.000 0.771 35 A HN 0.710 nan 8.150 nan 0.000 0.484 36 A N -0.976 121.831 122.820 -0.021 0.000 2.063 36 A HA 0.502 4.822 4.320 0.000 0.000 0.211 36 A C 2.274 179.867 177.584 0.014 0.000 1.177 36 A CA 1.131 53.159 52.037 -0.016 0.000 0.759 36 A CB -0.586 18.372 19.000 -0.069 0.000 0.857 36 A HN 0.807 nan 8.150 nan 0.000 0.468 37 A N 1.204 124.054 122.820 0.049 0.000 1.841 37 A HA -0.153 4.167 4.320 0.000 0.000 0.216 37 A C 1.717 179.352 177.584 0.084 0.000 1.199 37 A CA 1.764 53.846 52.037 0.076 0.000 0.621 37 A CB -0.449 18.626 19.000 0.126 0.000 0.835 37 A HN 0.500 nan 8.150 nan 0.000 0.445 38 E N 0.444 120.725 120.200 0.135 0.000 2.368 38 E HA 0.069 4.419 4.350 0.000 0.000 0.188 38 E C -1.025 175.634 176.600 0.098 0.000 1.061 38 E CA -0.180 56.293 56.400 0.121 0.000 0.933 38 E CB -0.533 29.269 29.700 0.171 0.000 1.091 38 E HN 0.464 nan 8.360 nan 0.000 0.458 39 N N 2.589 121.330 118.700 0.068 0.000 2.571 39 N HA 0.232 4.972 4.740 0.000 0.000 0.286 39 N C -2.845 172.677 175.510 0.020 0.000 1.138 39 N CA -1.104 51.974 53.050 0.045 0.000 0.859 39 N CB 2.251 40.765 38.487 0.046 0.000 1.414 39 N HN 0.068 nan 8.380 nan 0.000 0.529 40 P HA 0.052 nan 4.420 nan 0.000 0.269 40 P C -0.001 177.294 177.300 -0.008 0.000 1.215 40 P CA 0.044 63.146 63.100 0.004 0.000 0.780 40 P CB 0.591 32.295 31.700 0.007 0.000 0.898 41 N N 0.590 119.283 118.700 -0.012 0.000 2.525 41 N HA -0.109 4.631 4.740 0.000 0.000 0.283 41 N C -1.552 173.940 175.510 -0.030 0.000 1.259 41 N CA 0.588 53.627 53.050 -0.018 0.000 0.689 41 N CB -1.158 37.320 38.487 -0.015 0.000 0.899 41 N HN 0.176 nan 8.380 nan 0.000 0.541 68 V N 0.582 120.600 119.914 0.173 0.000 3.102 68 V HA 0.747 4.867 4.120 0.000 0.000 0.312 68 V C -0.672 175.456 176.094 0.057 0.000 1.135 68 V CA -0.951 61.419 62.300 0.116 0.000 1.022 68 V CB 2.675 34.497 31.823 -0.001 0.000 1.056 68 V HN 0.840 nan 8.190 nan 0.000 0.436 69 E N 2.194 122.371 120.200 -0.038 0.000 2.246 69 E HA 0.695 5.045 4.350 0.000 0.000 0.266 69 E C -1.790 174.725 176.600 -0.141 0.000 0.880 69 E CA -0.701 55.542 56.400 -0.262 0.000 0.762 69 E CB 2.179 31.647 29.700 -0.387 0.000 1.180 69 E HN 1.012 nan 8.360 nan 0.000 0.416 70 Y N -0.504 119.761 120.300 -0.058 0.000 2.625 70 Y HA 0.658 5.208 4.550 0.000 0.000 0.338 70 Y C -1.439 174.436 175.900 -0.042 0.000 1.123 70 Y CA -1.654 56.408 58.100 -0.064 0.000 1.046 70 Y CB 1.388 39.814 38.460 -0.056 0.000 1.299 70 Y HN 0.659 nan 8.280 nan 0.000 0.464 71 E N 0.129 120.504 120.200 0.292 0.000 2.307 71 E HA 0.414 4.764 4.350 0.000 0.000 0.280 71 E C -0.935 175.762 176.600 0.162 0.000 0.900 71 E CA -0.919 55.620 56.400 0.232 0.000 0.790 71 E CB 1.905 31.582 29.700 -0.039 0.000 1.261 71 E HN 0.878 nan 8.360 nan 0.000 0.405 72 T N -0.083 114.600 114.554 0.216 0.000 2.619 72 T HA 0.255 4.605 4.350 0.000 0.000 0.330 72 T C 1.056 175.841 174.700 0.142 0.000 1.037 72 T CA 0.099 62.282 62.100 0.139 0.000 1.005 72 T CB 0.814 69.790 68.868 0.180 0.000 1.084 72 T HN 0.666 nan 8.240 nan 0.000 0.521 73 A N -0.067 122.850 122.820 0.163 0.000 2.411 73 A HA 0.295 4.615 4.320 0.000 0.000 0.251 73 A C 1.367 179.017 177.584 0.109 0.000 1.317 73 A CA -0.156 51.958 52.037 0.129 0.000 0.904 73 A CB -0.638 18.446 19.000 0.140 0.000 0.993 73 A HN 0.882 nan 8.150 nan 0.000 0.504 74 K N -1.188 119.284 120.400 0.119 0.000 2.598 74 K HA 0.272 4.592 4.320 0.000 0.000 0.214 74 K C 0.226 176.876 176.600 0.084 0.000 1.575 74 K CA -0.102 56.244 56.287 0.098 0.000 1.042 74 K CB 0.880 33.444 32.500 0.107 0.000 1.338 74 K HN 0.270 nan 8.250 nan 0.000 0.590 75 R N 0.027 120.591 120.500 0.106 0.000 2.766 75 R HA 0.344 4.684 4.340 0.000 0.000 0.270 75 R C -1.400 174.954 176.300 0.089 0.000 1.035 75 R CA -0.978 55.148 56.100 0.043 0.000 0.911 75 R CB 1.123 31.371 30.300 -0.086 0.000 1.243 75 R HN -0.021 nan 8.270 nan 0.000 0.460 76 H N 0.391 119.401 119.070 -0.100 0.000 2.567 76 H HA 0.508 5.064 4.556 0.000 0.000 0.345 76 H C -1.326 173.952 175.328 -0.084 0.000 1.169 76 H CA -0.408 55.618 56.048 -0.035 0.000 1.227 76 H CB 1.206 30.930 29.762 -0.062 0.000 1.607 76 H HN 0.447 nan 8.280 nan 0.000 0.534 77 Y N 0.009 120.565 120.300 0.427 0.000 2.544 77 Y HA 0.274 4.824 4.550 0.000 0.000 0.342 77 Y C -0.489 175.419 175.900 0.014 0.000 1.062 77 Y CA -0.517 57.716 58.100 0.220 0.000 1.023 77 Y CB 2.322 40.766 38.460 -0.028 0.000 1.308 77 Y HN 0.465 nan 8.280 nan 0.000 0.457 78 S N 1.526 117.476 115.700 0.417 0.000 2.519 78 S HA 0.403 4.873 4.470 0.000 0.000 0.309 78 S C -1.651 173.036 174.600 0.144 0.000 1.100 78 S CA -0.614 57.775 58.200 0.316 0.000 1.059 78 S CB 0.692 64.229 63.200 0.561 0.000 1.008 78 S HN 0.692 nan 8.310 nan 0.000 0.478 79 H N 1.482 120.512 119.070 -0.066 0.000 2.600 79 H HA 0.648 5.204 4.556 0.000 0.000 0.357 79 H C -1.407 173.784 175.328 -0.228 0.000 1.106 79 H CA -0.827 55.135 56.048 -0.142 0.000 1.193 79 H CB 1.063 30.712 29.762 -0.189 0.000 1.594 79 H HN 0.387 nan 8.280 nan 0.000 0.526 80 V N 4.642 124.682 119.914 0.210 0.000 2.266 80 V HA 0.030 4.150 4.120 0.000 0.000 0.271 80 V C -0.269 175.936 176.094 0.185 0.000 1.032 80 V CA -0.771 61.489 62.300 -0.067 0.000 0.806 80 V CB 0.537 32.228 31.823 -0.221 0.000 1.052 80 V HN 0.807 nan 8.190 nan 0.000 0.449 81 D N 3.425 123.876 120.400 0.085 0.000 2.434 81 D HA 0.065 4.705 4.640 0.000 0.000 0.252 81 D C 0.230 176.589 176.300 0.099 0.000 1.185 81 D CA 0.198 54.228 54.000 0.050 0.000 0.886 81 D CB 0.589 41.358 40.800 -0.051 0.000 1.148 81 D HN 0.523 nan 8.370 nan 0.000 0.483 82 C N 5.876 125.247 119.300 0.119 0.000 2.520 82 C HA 0.314 4.774 4.460 0.000 0.000 0.376 82 C C -0.393 174.658 174.990 0.101 0.000 1.268 82 C CA -1.093 58.004 59.018 0.131 0.000 2.414 82 C CB 1.146 28.985 27.740 0.165 0.000 2.521 82 C HN 0.688 nan 8.230 nan 0.000 0.618 83 P HA 0.006 nan 4.420 nan 0.000 0.223 83 P C 0.749 178.122 177.300 0.120 0.000 1.151 83 P CA 1.526 64.666 63.100 0.066 0.000 0.787 83 P CB -0.038 31.718 31.700 0.094 0.000 0.788 84 G N 0.895 109.803 108.800 0.179 0.000 2.334 84 G HA2 -0.236 3.724 3.960 0.000 0.000 0.279 84 G HA3 -0.236 3.724 3.960 0.000 0.000 0.279 84 G C -0.424 174.494 174.900 0.030 0.000 0.918 84 G CA 0.788 45.902 45.100 0.024 0.000 1.314 84 G HN 0.726 nan 8.290 nan 0.000 0.463 85 H N -0.689 118.465 119.070 0.140 0.000 3.114 85 H HA 0.597 5.153 4.556 0.000 0.000 0.325 85 H C 0.220 175.689 175.328 0.235 0.000 1.206 85 H CA 0.486 56.613 56.048 0.132 0.000 1.316 85 H CB 0.573 30.480 29.762 0.241 0.000 1.981 85 H HN 0.955 nan 8.280 nan 0.000 0.527 86 A N 2.605 125.213 122.820 -0.353 0.000 2.504 86 A HA 0.318 4.638 4.320 0.000 0.000 0.242 86 A C 0.567 177.917 177.584 -0.390 0.000 1.100 86 A CA 1.164 53.033 52.037 -0.280 0.000 0.786 86 A CB -0.390 18.420 19.000 -0.317 0.000 1.050 86 A HN 1.034 nan 8.150 nan 0.000 0.512 87 D N -2.376 117.843 120.400 -0.302 0.000 3.507 87 D HA -0.259 4.381 4.640 0.000 0.000 0.208 87 D C 0.606 176.689 176.300 -0.361 0.000 1.223 87 D CA 2.718 56.472 54.000 -0.410 0.000 2.248 87 D CB -1.419 38.962 40.800 -0.697 0.000 1.247 87 D HN 0.596 nan 8.370 nan 0.000 0.475 88 Y N 0.912 121.244 120.300 0.053 0.000 2.546 88 Y HA 0.343 4.893 4.550 0.000 0.000 0.287 88 Y C 2.217 178.162 175.900 0.075 0.000 1.158 88 Y CA 0.203 58.355 58.100 0.086 0.000 1.307 88 Y CB -0.401 38.136 38.460 0.128 0.000 1.036 88 Y HN 0.242 nan 8.280 nan 0.000 0.532 89 I N 0.534 121.175 120.570 0.118 0.000 2.113 89 I HA -0.470 3.700 4.170 0.000 0.000 0.242 89 I C 2.194 178.341 176.117 0.050 0.000 1.057 89 I CA 1.792 63.115 61.300 0.038 0.000 1.314 89 I CB -0.458 37.495 38.000 -0.077 0.000 1.022 89 I HN 0.200 nan 8.210 nan 0.000 0.408 90 K N 0.181 120.620 120.400 0.064 0.000 2.189 90 K HA -0.255 4.065 4.320 0.000 0.000 0.207 90 K C 1.343 178.029 176.600 0.143 0.000 1.046 90 K CA 1.955 58.317 56.287 0.124 0.000 0.928 90 K CB -0.352 32.232 32.500 0.139 0.000 0.720 90 K HN 0.309 nan 8.250 nan 0.000 0.458 91 N N -0.656 118.130 118.700 0.144 0.000 2.205 91 N HA 0.112 4.852 4.740 0.000 0.000 0.201 91 N C 1.026 176.620 175.510 0.140 0.000 1.128 91 N CA -0.058 53.078 53.050 0.143 0.000 0.867 91 N CB 0.425 39.002 38.487 0.148 0.000 0.996 91 N HN 0.118 nan 8.380 nan 0.000 0.503 92 M N -0.364 119.315 119.600 0.131 0.000 2.325 92 M HA 0.114 4.594 4.480 0.000 0.000 0.265 92 M C 1.261 177.607 176.300 0.077 0.000 1.094 92 M CA 1.046 56.419 55.300 0.122 0.000 1.161 92 M CB 0.061 32.740 32.600 0.133 0.000 1.358 92 M HN 0.047 nan 8.290 nan 0.000 0.446 93 I N 0.446 121.039 120.570 0.039 0.000 2.264 93 I HA -0.275 3.895 4.170 0.000 0.000 0.248 93 I C 1.888 178.040 176.117 0.060 0.000 1.111 93 I CA 1.499 62.808 61.300 0.014 0.000 1.382 93 I CB -0.676 37.304 38.000 -0.033 0.000 1.060 93 I HN 0.306 nan 8.210 nan 0.000 0.418 94 T N 0.323 114.933 114.554 0.094 0.000 3.007 94 T HA -0.067 4.283 4.350 0.000 0.000 0.270 94 T C 1.755 176.516 174.700 0.102 0.000 1.107 94 T CA 1.204 63.367 62.100 0.106 0.000 1.118 94 T CB -0.328 68.609 68.868 0.115 0.000 0.889 94 T HN 0.607 nan 8.240 nan 0.000 0.506 95 G N 0.486 109.349 108.800 0.105 0.000 2.494 95 G HA2 0.195 4.155 3.960 0.000 0.000 0.216 95 G HA3 0.195 4.155 3.960 0.000 0.000 0.216 95 G C 1.681 176.627 174.900 0.078 0.000 1.140 95 G CA 0.603 45.771 45.100 0.113 0.000 0.801 95 G HN 0.527 nan 8.290 nan 0.000 0.536 96 A N 1.302 124.160 122.820 0.063 0.000 1.898 96 A HA 0.426 4.746 4.320 0.000 0.000 0.214 96 A C 2.740 180.352 177.584 0.046 0.000 1.183 96 A CA 1.773 53.838 52.037 0.047 0.000 0.622 96 A CB -0.693 18.327 19.000 0.033 0.000 0.824 96 A HN 0.652 nan 8.150 nan 0.000 0.444 97 A N -1.000 121.852 122.820 0.053 0.000 2.024 97 A HA -0.166 4.154 4.320 0.000 0.000 0.220 97 A C 1.803 179.415 177.584 0.048 0.000 1.164 97 A CA 1.500 53.569 52.037 0.052 0.000 0.643 97 A CB -0.354 18.685 19.000 0.066 0.000 0.806 97 A HN 0.581 nan 8.150 nan 0.000 0.451 98 Q N 0.140 119.974 119.800 0.056 0.000 2.936 98 Q HA 0.481 4.821 4.340 0.000 0.000 0.383 98 Q C -0.791 175.229 176.000 0.034 0.000 1.167 98 Q CA -0.254 55.582 55.803 0.055 0.000 1.038 98 Q CB -0.437 28.356 28.738 0.091 0.000 1.409 98 Q HN 0.749 nan 8.270 nan 0.000 0.448 99 M N -1.885 117.727 119.600 0.020 0.000 2.569 99 M HA 0.355 4.835 4.480 0.000 0.000 0.287 99 M C -1.441 174.863 176.300 0.006 0.000 1.130 99 M CA -0.764 54.538 55.300 0.003 0.000 0.885 99 M CB 1.094 33.690 32.600 -0.007 0.000 1.759 99 M HN -0.209 nan 8.290 nan 0.000 0.515 100 D N 0.924 121.325 120.400 0.001 0.000 2.367 100 D HA 0.309 4.949 4.640 0.000 0.000 0.207 100 D C 0.475 176.801 176.300 0.043 0.000 1.034 100 D CA 0.856 54.867 54.000 0.018 0.000 0.861 100 D CB 1.263 42.066 40.800 0.005 0.000 0.943 100 D HN 0.856 nan 8.370 nan 0.000 0.515 101 G N 0.017 108.833 108.800 0.025 0.000 2.755 101 G HA2 0.533 4.493 3.960 0.000 0.000 0.297 101 G HA3 0.533 4.493 3.960 0.000 0.000 0.297 101 G C -1.608 173.285 174.900 -0.011 0.000 1.441 101 G CA -0.437 44.680 45.100 0.029 0.000 0.964 101 G HN 0.102 nan 8.290 nan 0.000 0.540 102 A N 1.235 124.049 122.820 -0.010 0.000 2.317 102 A HA 0.799 5.119 4.320 0.000 0.000 0.327 102 A C -0.147 177.431 177.584 -0.011 0.000 1.178 102 A CA -0.665 51.360 52.037 -0.020 0.000 0.817 102 A CB 0.727 19.716 19.000 -0.018 0.000 1.189 102 A HN 0.696 nan 8.150 nan 0.000 0.489 103 I N 3.292 123.860 120.570 -0.002 0.000 2.523 103 I HA 0.123 4.293 4.170 0.000 0.000 0.281 103 I C -0.275 175.883 176.117 0.067 0.000 1.126 103 I CA -0.517 60.800 61.300 0.028 0.000 1.187 103 I CB 0.656 38.663 38.000 0.011 0.000 1.478 103 I HN 0.576 nan 8.210 nan 0.000 0.522 104 L N 6.896 128.154 121.223 0.057 0.000 2.698 104 L HA 0.070 4.410 4.340 0.000 0.000 0.272 104 L C 0.022 176.957 176.870 0.109 0.000 1.154 104 L CA 0.687 55.573 54.840 0.076 0.000 0.964 104 L CB 0.185 42.269 42.059 0.040 0.000 1.272 104 L HN 0.199 nan 8.230 nan 0.000 0.483 105 V N 5.802 125.801 119.914 0.141 0.000 2.686 105 V HA 0.572 4.692 4.120 0.000 0.000 0.295 105 V C 0.101 176.228 176.094 0.055 0.000 1.057 105 V CA -0.537 61.859 62.300 0.159 0.000 1.012 105 V CB 1.503 33.439 31.823 0.188 0.000 1.006 105 V HN 0.540 nan 8.190 nan 0.000 0.477 106 V N 2.261 122.107 119.914 -0.112 0.000 2.932 106 V HA 0.429 4.549 4.120 0.000 0.000 0.307 106 V C -0.217 175.615 176.094 -0.438 0.000 1.147 106 V CA -0.510 61.507 62.300 -0.472 0.000 0.951 106 V CB 2.244 33.899 31.823 -0.279 0.000 1.031 106 V HN 0.877 nan 8.190 nan 0.000 0.426 107 S N 1.916 117.243 115.700 -0.621 0.000 2.562 107 S HA 0.627 5.097 4.470 0.000 0.000 0.275 107 S C 1.235 175.721 174.600 -0.190 0.000 1.281 107 S CA 0.261 58.296 58.200 -0.276 0.000 1.045 107 S CB 1.683 64.803 63.200 -0.134 0.000 0.962 107 S HN 1.144 nan 8.310 nan 0.000 0.503 108 A N 4.617 127.359 122.820 -0.130 0.000 1.873 108 A HA 0.143 4.463 4.320 0.000 0.000 0.215 108 A C 2.298 179.843 177.584 -0.064 0.000 1.186 108 A CA 1.687 53.667 52.037 -0.095 0.000 0.616 108 A CB -1.405 17.552 19.000 -0.072 0.000 0.823 108 A HN 1.204 nan 8.150 nan 0.000 0.442 109 A N -0.680 122.111 122.820 -0.048 0.000 2.015 109 A HA -0.057 4.263 4.320 0.000 0.000 0.219 109 A C 1.581 179.153 177.584 -0.020 0.000 1.163 109 A CA 1.662 53.682 52.037 -0.027 0.000 0.646 109 A CB -0.274 18.716 19.000 -0.018 0.000 0.806 109 A HN 0.556 nan 8.150 nan 0.000 0.448 110 D N -2.298 118.088 120.400 -0.023 0.000 2.736 110 D HA 0.434 5.074 4.640 0.000 0.000 0.251 110 D C 1.440 177.729 176.300 -0.018 0.000 1.348 110 D CA 1.198 55.200 54.000 0.003 0.000 1.160 110 D CB -0.286 40.564 40.800 0.084 0.000 0.928 110 D HN 0.449 nan 8.370 nan 0.000 0.228 111 G N 0.829 109.610 108.800 -0.033 0.000 2.344 111 G HA2 -0.108 3.852 3.960 0.000 0.000 0.215 111 G HA3 -0.108 3.852 3.960 0.000 0.000 0.215 111 G C -2.458 172.459 174.900 0.027 0.000 1.293 111 G CA -0.248 44.822 45.100 -0.050 0.000 1.305 111 G HN 0.357 nan 8.290 nan 0.000 0.484 112 P HA 0.615 nan 4.420 nan 0.000 0.275 112 P C -0.817 176.497 177.300 0.023 0.000 1.227 112 P CA 0.434 63.561 63.100 0.046 0.000 0.781 112 P CB 1.579 33.297 31.700 0.030 0.000 0.906 113 M N 3.751 123.359 119.600 0.013 0.000 2.471 113 M HA 0.303 4.783 4.480 0.000 0.000 0.284 113 M C -2.151 174.158 176.300 0.015 0.000 1.203 113 M CA -2.029 53.188 55.300 -0.139 0.000 0.915 113 M CB 2.201 34.453 32.600 -0.580 0.000 1.734 113 M HN 0.049 nan 8.290 nan 0.000 0.485 114 P HA -0.211 nan 4.420 nan 0.000 0.213 114 P C 0.838 178.256 177.300 0.197 0.000 1.176 114 P CA 1.567 64.757 63.100 0.149 0.000 0.919 114 P CB 0.114 31.901 31.700 0.145 0.000 0.791 115 Q N -1.046 118.939 119.800 0.308 0.000 2.308 115 Q HA -0.138 4.202 4.340 0.000 0.000 0.209 115 Q C 1.950 178.005 176.000 0.092 0.000 0.985 115 Q CA 1.621 57.456 55.803 0.054 0.000 0.881 115 Q CB -1.272 27.227 28.738 -0.398 0.000 0.917 115 Q HN 0.370 nan 8.270 nan 0.000 0.443 116 T N 0.193 114.840 114.554 0.155 0.000 2.668 116 T HA -0.072 4.278 4.350 0.000 0.000 0.258 116 T C 1.818 176.568 174.700 0.084 0.000 1.051 116 T CA 0.747 62.923 62.100 0.127 0.000 1.155 116 T CB -0.180 68.778 68.868 0.150 0.000 0.864 116 T HN 0.274 nan 8.240 nan 0.000 0.413 117 R N 0.623 121.162 120.500 0.065 0.000 2.153 117 R HA -0.203 4.137 4.340 0.000 0.000 0.252 117 R C 2.463 178.757 176.300 -0.011 0.000 1.158 117 R CA 1.735 57.841 56.100 0.010 0.000 0.975 117 R CB -0.174 30.177 30.300 0.084 0.000 0.871 117 R HN 0.404 nan 8.270 nan 0.000 0.450 118 E N -0.454 119.794 120.200 0.080 0.000 2.011 118 E HA -0.103 4.247 4.350 0.000 0.000 0.191 118 E C 1.098 177.740 176.600 0.069 0.000 0.980 118 E CA 1.159 57.612 56.400 0.088 0.000 0.814 118 E CB -0.050 29.747 29.700 0.162 0.000 0.775 118 E HN 0.322 nan 8.360 nan 0.000 0.454 119 H N -0.484 118.579 119.070 -0.012 0.000 2.602 119 H HA 0.056 4.612 4.556 0.000 0.000 0.285 119 H C 0.812 176.133 175.328 -0.012 0.000 1.093 119 H CA 0.673 56.721 56.048 -0.001 0.000 1.201 119 H CB -0.216 29.559 29.762 0.021 0.000 1.294 119 H HN 0.216 nan 8.280 nan 0.000 0.633 120 I N -0.948 119.637 120.570 0.024 0.000 4.124 120 I HA -0.062 4.108 4.170 0.000 0.000 0.311 120 I C 1.734 177.816 176.117 -0.058 0.000 1.259 120 I CA 0.264 61.536 61.300 -0.045 0.000 1.315 120 I CB 0.356 38.264 38.000 -0.153 0.000 1.223 120 I HN 0.217 nan 8.210 nan 0.000 0.441 121 L N -0.605 120.552 121.223 -0.110 0.000 2.240 121 L HA 0.079 4.420 4.340 0.000 0.000 0.211 121 L C 1.894 178.794 176.870 0.049 0.000 1.106 121 L CA 1.204 56.049 54.840 0.009 0.000 0.793 121 L CB -0.492 41.636 42.059 0.115 0.000 0.927 121 L HN 0.090 nan 8.230 nan 0.000 0.446 122 L N 0.690 121.914 121.223 0.002 0.000 2.551 122 L HA 0.045 4.385 4.340 0.000 0.000 0.228 122 L C 2.763 179.651 176.870 0.031 0.000 1.153 122 L CA 0.526 55.355 54.840 -0.019 0.000 0.851 122 L CB -0.602 41.400 42.059 -0.094 0.000 0.959 122 L HN 0.432 nan 8.230 nan 0.000 0.451 123 A N 0.117 122.995 122.820 0.096 0.000 2.016 123 A HA -0.129 4.191 4.320 0.000 0.000 0.217 123 A C 2.374 180.109 177.584 0.252 0.000 1.162 123 A CA 0.971 53.109 52.037 0.169 0.000 0.662 123 A CB -0.173 18.943 19.000 0.194 0.000 0.812 123 A HN 0.288 nan 8.150 nan 0.000 0.450 124 R N -0.286 120.333 120.500 0.198 0.000 2.057 124 R HA -0.025 4.315 4.340 0.000 0.000 0.224 124 R C 2.260 178.572 176.300 0.020 0.000 1.136 124 R CA 1.397 57.527 56.100 0.050 0.000 0.968 124 R CB -0.481 29.742 30.300 -0.129 0.000 0.863 124 R HN 0.470 nan 8.270 nan 0.000 0.433 125 Q N 0.152 119.963 119.800 0.018 0.000 2.028 125 Q HA -0.150 4.190 4.340 0.000 0.000 0.213 125 Q C 0.637 176.640 176.000 0.005 0.000 1.017 125 Q CA 1.784 57.589 55.803 0.002 0.000 0.875 125 Q CB -0.873 27.858 28.738 -0.012 0.000 0.962 125 Q HN 0.224 nan 8.270 nan 0.000 0.413 126 V N 1.613 121.537 119.914 0.016 0.000 2.071 126 V HA 0.206 4.326 4.120 0.000 0.000 0.254 126 V C 1.379 177.495 176.094 0.036 0.000 1.456 126 V CA 0.454 62.768 62.300 0.023 0.000 1.383 126 V CB -0.726 31.110 31.823 0.023 0.000 1.433 126 V HN 0.626 nan 8.190 nan 0.000 0.499 127 G N 3.713 112.528 108.800 0.025 0.000 2.700 127 G HA2 -0.334 3.626 3.960 0.000 0.000 0.350 127 G HA3 -0.334 3.626 3.960 0.000 0.000 0.350 127 G C 0.526 175.461 174.900 0.059 0.000 1.250 127 G CA 0.442 45.557 45.100 0.026 0.000 0.978 127 G HN 1.445 nan 8.290 nan 0.000 0.551 128 V N 0.874 120.818 119.914 0.049 0.000 4.697 128 V HA -0.114 4.006 4.120 0.000 0.000 0.409 128 V C -1.512 174.629 176.094 0.078 0.000 0.683 128 V CA 0.941 63.277 62.300 0.060 0.000 1.630 128 V CB -1.369 30.495 31.823 0.068 0.000 1.964 128 V HN 0.993 nan 8.190 nan 0.000 0.478 129 P HA 0.569 nan 4.420 nan 0.000 0.290 129 P C -0.339 176.936 177.300 -0.041 0.000 1.276 129 P CA -0.020 63.024 63.100 -0.094 0.000 0.808 129 P CB 0.835 32.418 31.700 -0.195 0.000 0.966 130 Y N -0.247 120.054 120.300 0.002 0.000 2.515 130 Y HA -0.211 4.339 4.550 0.000 0.000 0.021 130 Y C 0.124 175.939 175.900 -0.142 0.000 1.710 130 Y CA -0.059 57.977 58.100 -0.107 0.000 1.413 130 Y CB -1.019 37.263 38.460 -0.295 0.000 2.059 130 Y HN 0.285 nan 8.280 nan 0.000 0.255 131 I N 1.793 122.420 120.570 0.095 0.000 2.627 131 I HA 0.384 4.554 4.170 0.000 0.000 0.288 131 I C -1.234 174.958 176.117 0.125 0.000 1.202 131 I CA -0.921 60.372 61.300 -0.012 0.000 1.050 131 I CB 1.950 39.778 38.000 -0.287 0.000 1.264 131 I HN 0.265 nan 8.210 nan 0.000 0.429 132 V N 6.756 126.741 119.914 0.119 0.000 2.294 132 V HA 0.267 4.387 4.120 0.000 0.000 0.272 132 V C 0.245 176.381 176.094 0.069 0.000 1.027 132 V CA -0.652 61.709 62.300 0.101 0.000 0.823 132 V CB 1.484 33.379 31.823 0.119 0.000 1.030 132 V HN 0.416 nan 8.190 nan 0.000 0.457 133 V N 5.561 125.502 119.914 0.044 0.000 2.637 133 V HA 0.238 4.358 4.120 0.000 0.000 0.296 133 V C -0.238 175.920 176.094 0.107 0.000 1.046 133 V CA -0.019 62.313 62.300 0.054 0.000 1.066 133 V CB 0.959 32.786 31.823 0.007 0.000 0.968 133 V HN 0.719 nan 8.190 nan 0.000 0.483 134 F N 5.935 125.869 119.950 -0.026 0.000 2.434 134 F HA 0.486 5.013 4.527 0.000 0.000 0.367 134 F C 0.142 175.919 175.800 -0.038 0.000 1.093 134 F CA -0.854 57.131 58.000 -0.026 0.000 1.085 134 F CB 1.238 40.227 39.000 -0.018 0.000 1.322 134 F HN 0.488 nan 8.300 nan 0.000 0.452 135 M N 6.010 125.290 119.600 -0.534 0.000 2.760 135 M HA 0.078 4.558 4.480 0.000 0.000 0.314 135 M C -0.339 175.525 176.300 -0.728 0.000 1.582 135 M CA 0.249 55.269 55.300 -0.467 0.000 1.484 135 M CB -0.515 31.896 32.600 -0.314 0.000 1.621 135 M HN 0.740 nan 8.290 nan 0.000 0.470 136 N N 3.132 121.544 118.700 -0.480 0.000 2.405 136 N HA 0.257 4.997 4.740 0.000 0.000 0.269 136 N C -0.136 175.300 175.510 -0.124 0.000 1.249 136 N CA 0.160 53.083 53.050 -0.212 0.000 0.974 136 N CB 0.718 39.377 38.487 0.287 0.000 1.204 136 N HN 0.609 nan 8.380 nan 0.000 0.565 137 K N -1.441 118.936 120.400 -0.038 0.000 3.426 137 K HA -0.201 4.119 4.320 0.000 0.000 0.315 137 K C 1.169 177.725 176.600 -0.074 0.000 1.293 137 K CA 0.803 57.054 56.287 -0.060 0.000 0.955 137 K CB -2.196 30.270 32.500 -0.056 0.000 1.238 137 K HN 0.366 nan 8.250 nan 0.000 0.441 138 V N 0.463 120.327 119.914 -0.084 0.000 2.280 138 V HA -0.287 3.833 4.120 0.000 0.000 0.258 138 V C 1.258 177.367 176.094 0.026 0.000 1.081 138 V CA 2.431 64.705 62.300 -0.044 0.000 1.070 138 V CB -0.554 31.271 31.823 0.002 0.000 0.666 138 V HN 0.414 nan 8.190 nan 0.000 0.450 139 D N 0.856 121.258 120.400 0.004 0.000 2.498 139 D HA 0.340 4.980 4.640 0.000 0.000 0.229 139 D C -0.254 176.007 176.300 -0.065 0.000 1.188 139 D CA 0.294 54.268 54.000 -0.042 0.000 1.028 139 D CB -0.189 40.359 40.800 -0.419 0.000 1.087 139 D HN 0.074 nan 8.370 nan 0.000 0.510 140 M N 2.570 122.159 119.600 -0.018 0.000 2.366 140 M HA 0.090 4.570 4.480 0.000 0.000 0.287 140 M C -0.888 175.406 176.300 -0.010 0.000 1.083 140 M CA -0.962 54.323 55.300 -0.025 0.000 0.934 140 M CB 1.489 34.066 32.600 -0.039 0.000 1.852 140 M HN 0.207 nan 8.290 nan 0.000 0.502 141 V N 1.174 121.084 119.914 -0.006 0.000 4.451 141 V HA -0.203 3.917 4.120 0.000 0.000 0.475 141 V C -0.159 175.937 176.094 0.003 0.000 0.684 141 V CA 0.725 63.023 62.300 -0.002 0.000 1.843 141 V CB -1.249 30.570 31.823 -0.007 0.000 2.191 141 V HN 1.025 nan 8.190 nan 0.000 0.499 142 D N 3.455 123.861 120.400 0.009 0.000 2.399 142 D HA 0.552 5.192 4.640 0.000 0.000 0.241 142 D C -0.308 175.994 176.300 0.003 0.000 1.133 142 D CA 0.849 54.856 54.000 0.011 0.000 0.890 142 D CB 1.362 42.172 40.800 0.016 0.000 1.201 142 D HN 1.127 nan 8.370 nan 0.000 0.432 143 D N 1.395 121.796 120.400 0.000 0.000 2.734 143 D HA 0.207 4.847 4.640 0.000 0.000 0.224 143 D C -2.363 173.934 176.300 -0.006 0.000 1.222 143 D CA -0.977 53.021 54.000 -0.003 0.000 0.761 143 D CB 1.406 42.203 40.800 -0.006 0.000 1.569 143 D HN 0.128 nan 8.370 nan 0.000 0.477 144 P HA -0.042 nan 4.420 nan 0.000 0.208 144 P C 0.988 178.282 177.300 -0.010 0.000 1.200 144 P CA 0.799 63.894 63.100 -0.007 0.000 0.924 144 P CB 0.267 31.964 31.700 -0.006 0.000 0.774 145 E N -0.813 119.382 120.200 -0.009 0.000 1.963 145 E HA -0.246 4.104 4.350 0.000 0.000 0.215 145 E C 1.825 178.416 176.600 -0.014 0.000 0.993 145 E CA 1.214 57.608 56.400 -0.010 0.000 0.880 145 E CB -0.958 28.738 29.700 -0.007 0.000 0.811 145 E HN -0.137 nan 8.360 nan 0.000 0.539 146 L N 0.559 121.773 121.223 -0.014 0.000 2.402 146 L HA -0.373 3.967 4.340 0.000 0.000 0.240 146 L C 2.221 179.074 176.870 -0.027 0.000 1.135 146 L CA 2.192 57.020 54.840 -0.019 0.000 0.830 146 L CB -1.111 40.937 42.059 -0.018 0.000 0.988 146 L HN 0.377 nan 8.230 nan 0.000 0.428 147 L N -1.025 120.181 121.223 -0.027 0.000 1.997 147 L HA -0.287 4.053 4.340 0.000 0.000 0.216 147 L C 2.285 179.133 176.870 -0.037 0.000 1.074 147 L CA 2.597 57.416 54.840 -0.036 0.000 0.763 147 L CB -1.679 40.363 42.059 -0.028 0.000 0.890 147 L HN 0.551 nan 8.230 nan 0.000 0.434 148 D N -0.837 119.547 120.400 -0.028 0.000 2.354 148 D HA -0.023 4.617 4.640 0.000 0.000 0.209 148 D C 2.117 178.406 176.300 -0.019 0.000 1.015 148 D CA 0.204 54.189 54.000 -0.024 0.000 0.867 148 D CB 0.619 41.408 40.800 -0.019 0.000 0.933 148 D HN 0.259 nan 8.370 nan 0.000 0.520 149 L N -0.356 120.857 121.223 -0.018 0.000 2.270 149 L HA 0.015 4.355 4.340 0.000 0.000 0.210 149 L C 1.806 178.667 176.870 -0.014 0.000 1.104 149 L CA 1.127 55.960 54.840 -0.012 0.000 0.804 149 L CB -0.376 41.677 42.059 -0.010 0.000 0.937 149 L HN -0.242 nan 8.230 nan 0.000 0.450 150 V N 0.133 120.032 119.914 -0.025 0.000 2.407 150 V HA -0.132 3.988 4.120 0.000 0.000 0.245 150 V C 2.430 178.507 176.094 -0.028 0.000 1.041 150 V CA 1.668 63.949 62.300 -0.031 0.000 1.040 150 V CB -0.623 31.168 31.823 -0.053 0.000 0.671 150 V HN 0.487 nan 8.190 nan 0.000 0.455 151 E N -0.530 119.651 120.200 -0.031 0.000 2.463 151 E HA -0.244 4.106 4.350 0.000 0.000 0.201 151 E C 1.876 178.472 176.600 -0.007 0.000 1.045 151 E CA 1.072 57.458 56.400 -0.025 0.000 0.872 151 E CB -0.074 29.609 29.700 -0.029 0.000 0.797 151 E HN 0.481 nan 8.360 nan 0.000 0.538 152 M N 0.176 119.775 119.600 -0.002 0.000 2.466 152 M HA -0.008 4.472 4.480 0.000 0.000 0.265 152 M C 1.203 177.514 176.300 0.019 0.000 1.122 152 M CA 1.390 56.696 55.300 0.009 0.000 1.157 152 M CB 0.521 33.125 32.600 0.006 0.000 1.352 152 M HN -0.133 nan 8.290 nan 0.000 0.464 153 E N -0.956 119.253 120.200 0.015 0.000 2.481 153 E HA -0.010 4.340 4.350 0.000 0.000 0.195 153 E C 1.490 178.112 176.600 0.037 0.000 1.047 153 E CA 0.218 56.634 56.400 0.027 0.000 0.867 153 E CB 0.299 30.009 29.700 0.018 0.000 0.858 153 E HN 0.338 nan 8.360 nan 0.000 0.513 154 V N 0.649 120.579 119.914 0.027 0.000 2.607 154 V HA -0.086 4.034 4.120 0.000 0.000 0.228 154 V C 2.006 178.131 176.094 0.051 0.000 1.106 154 V CA 0.742 63.061 62.300 0.032 0.000 1.141 154 V CB -0.382 31.445 31.823 0.006 0.000 0.808 154 V HN 0.067 nan 8.190 nan 0.000 0.501 155 R N 0.697 121.221 120.500 0.040 0.000 2.154 155 R HA -0.236 4.104 4.340 0.000 0.000 0.248 155 R C 2.023 178.368 176.300 0.075 0.000 1.155 155 R CA 1.848 57.980 56.100 0.054 0.000 0.979 155 R CB -0.517 29.805 30.300 0.037 0.000 0.869 155 R HN 0.625 nan 8.270 nan 0.000 0.452 156 D N 0.504 120.945 120.400 0.067 0.000 2.194 156 D HA -0.120 4.520 4.640 0.000 0.000 0.204 156 D C 1.547 177.913 176.300 0.111 0.000 0.964 156 D CA 0.703 54.748 54.000 0.074 0.000 0.846 156 D CB 0.238 41.071 40.800 0.056 0.000 0.962 156 D HN 0.114 nan 8.370 nan 0.000 0.490 157 L N 0.504 121.804 121.223 0.129 0.000 2.558 157 L HA 0.179 4.519 4.340 0.000 0.000 0.225 157 L C 2.046 179.080 176.870 0.274 0.000 1.128 157 L CA 0.461 55.421 54.840 0.200 0.000 0.868 157 L CB -0.059 42.093 42.059 0.154 0.000 1.006 157 L HN 0.020 nan 8.230 nan 0.000 0.454 158 L N -1.274 120.074 121.223 0.208 0.000 2.145 158 L HA -0.006 4.334 4.340 0.000 0.000 0.201 158 L C 2.004 179.065 176.870 0.317 0.000 1.075 158 L CA 0.527 55.514 54.840 0.245 0.000 0.773 158 L CB -0.496 41.658 42.059 0.158 0.000 0.936 158 L HN 0.217 nan 8.230 nan 0.000 0.451 159 N N 0.067 118.899 118.700 0.221 0.000 2.396 159 N HA -0.194 4.546 4.740 0.000 0.000 0.180 159 N C 1.748 177.343 175.510 0.141 0.000 1.028 159 N CA 0.739 53.893 53.050 0.174 0.000 0.893 159 N CB 0.020 38.574 38.487 0.112 0.000 0.967 159 N HN 0.397 nan 8.380 nan 0.000 0.440 160 Q N -0.337 119.560 119.800 0.162 0.000 2.443 160 Q HA -0.133 4.207 4.340 0.000 0.000 0.213 160 Q C -0.115 175.791 176.000 -0.157 0.000 0.982 160 Q CA 1.182 56.996 55.803 0.019 0.000 0.894 160 Q CB 0.107 28.879 28.738 0.057 0.000 0.947 160 Q HN 0.395 nan 8.270 nan 0.000 0.480 161 Y N 0.488 120.827 120.300 0.065 0.000 2.634 161 Y HA 0.237 4.787 4.550 0.000 0.000 0.292 161 Y C -0.750 175.104 175.900 -0.077 0.000 0.996 161 Y CA -0.678 57.437 58.100 0.025 0.000 1.165 161 Y CB 0.270 38.792 38.460 0.103 0.000 1.194 161 Y HN 0.057 nan 8.280 nan 0.000 0.585 162 E N 0.291 120.511 120.200 0.034 0.000 2.202 162 E HA -0.259 4.091 4.350 0.000 0.000 0.169 162 E C -0.932 175.607 176.600 -0.102 0.000 1.536 162 E CA 0.624 56.999 56.400 -0.043 0.000 0.664 162 E CB -1.075 28.554 29.700 -0.118 0.000 1.064 162 E HN 0.264 nan 8.360 nan 0.000 0.327 163 F N -0.170 119.833 119.950 0.087 0.000 2.664 163 F HA 0.350 4.877 4.527 0.000 0.000 0.329 163 F C -1.776 174.076 175.800 0.088 0.000 1.090 163 F CA -2.266 55.782 58.000 0.080 0.000 0.978 163 F CB 1.117 40.175 39.000 0.096 0.000 1.378 163 F HN -0.202 nan 8.300 nan 0.000 0.495 164 P HA 0.063 nan 4.420 nan 0.000 0.277 164 P C 0.830 178.245 177.300 0.191 0.000 1.617 164 P CA 0.448 63.703 63.100 0.257 0.000 0.829 164 P CB -0.671 31.215 31.700 0.310 0.000 1.774 165 G N 0.439 109.355 108.800 0.193 0.000 2.601 165 G HA2 -0.209 3.751 3.960 0.000 0.000 0.214 165 G HA3 -0.209 3.751 3.960 0.000 0.000 0.214 165 G C 0.927 175.883 174.900 0.094 0.000 1.132 165 G CA 0.457 45.642 45.100 0.141 0.000 0.761 165 G HN 0.296 nan 8.290 nan 0.000 0.550 166 D N -0.236 120.218 120.400 0.090 0.000 2.531 166 D HA 0.036 4.676 4.640 0.000 0.000 0.263 166 D C 0.512 176.838 176.300 0.043 0.000 1.057 166 D CA 0.353 54.389 54.000 0.060 0.000 0.909 166 D CB 0.317 41.152 40.800 0.059 0.000 1.236 166 D HN 0.395 nan 8.370 nan 0.000 0.494 167 E N 1.282 121.519 120.200 0.062 0.000 2.674 167 E HA 0.293 4.643 4.350 0.000 0.000 0.240 167 E C -0.691 175.895 176.600 -0.024 0.000 1.213 167 E CA -0.181 56.237 56.400 0.029 0.000 1.357 167 E CB 1.471 31.216 29.700 0.075 0.000 1.467 167 E HN -0.148 nan 8.360 nan 0.000 0.448 168 V N 1.952 121.833 119.914 -0.055 0.000 2.459 168 V HA 0.295 4.415 4.120 0.000 0.000 0.295 168 V C -2.089 173.890 176.094 -0.192 0.000 1.029 168 V CA -2.450 59.777 62.300 -0.122 0.000 0.874 168 V CB 1.878 33.689 31.823 -0.019 0.000 0.985 168 V HN 0.258 nan 8.190 nan 0.000 0.438 169 P HA 0.021 nan 4.420 nan 0.000 0.240 169 P C -0.328 176.916 177.300 -0.092 0.000 1.594 169 P CA 0.282 63.239 63.100 -0.239 0.000 1.184 169 P CB -0.382 31.131 31.700 -0.312 0.000 1.915 170 V N 4.232 124.101 119.914 -0.075 0.000 2.405 170 V HA 0.065 4.185 4.120 0.000 0.000 0.264 170 V C 0.884 176.950 176.094 -0.048 0.000 1.048 170 V CA -0.078 62.190 62.300 -0.053 0.000 0.966 170 V CB -0.102 31.683 31.823 -0.062 0.000 1.015 170 V HN 0.205 nan 8.190 nan 0.000 0.477 171 I N 5.603 126.161 120.570 -0.020 0.000 2.783 171 I HA 0.582 4.752 4.170 0.000 0.000 0.312 171 I C 0.513 176.522 176.117 -0.181 0.000 0.988 171 I CA -0.341 60.961 61.300 0.004 0.000 1.182 171 I CB 1.195 39.341 38.000 0.242 0.000 1.368 171 I HN 0.492 nan 8.210 nan 0.000 0.511 172 R N 2.032 122.465 120.500 -0.111 0.000 2.533 172 R HA 0.685 5.025 4.340 0.000 0.000 0.288 172 R C -1.026 175.282 176.300 0.012 0.000 1.039 172 R CA -0.943 55.061 56.100 -0.161 0.000 0.909 172 R CB 2.021 32.266 30.300 -0.093 0.000 1.195 172 R HN 0.887 nan 8.270 nan 0.000 0.438 173 G N 1.420 110.263 108.800 0.070 0.000 2.482 173 G HA2 -0.108 3.852 3.960 0.000 0.000 0.201 173 G HA3 -0.108 3.852 3.960 0.000 0.000 0.201 173 G C -0.422 174.772 174.900 0.490 0.000 3.137 173 G CA -0.615 44.751 45.100 0.443 0.000 0.798 173 G HN 0.512 nan 8.290 nan 0.000 0.493 174 S N 0.877 116.754 115.700 0.295 0.000 2.810 174 S HA 0.282 4.752 4.470 0.000 0.000 0.329 174 S C 1.824 176.528 174.600 0.174 0.000 1.231 174 S CA 1.171 59.446 58.200 0.125 0.000 1.042 174 S CB 0.692 63.800 63.200 -0.153 0.000 0.756 174 S HN 1.991 nan 8.310 nan 0.000 0.504 175 A N 4.995 127.949 122.820 0.225 0.000 2.021 175 A HA 0.106 4.426 4.320 0.000 0.000 0.216 175 A C 1.905 179.466 177.584 -0.038 0.000 1.163 175 A CA 0.963 53.043 52.037 0.072 0.000 0.676 175 A CB -0.576 18.397 19.000 -0.045 0.000 0.818 175 A HN 1.001 nan 8.150 nan 0.000 0.453 176 L N -0.240 120.951 121.223 -0.053 0.000 1.971 176 L HA -0.210 4.130 4.340 0.000 0.000 0.215 176 L C 2.107 178.893 176.870 -0.140 0.000 1.072 176 L CA 2.072 56.849 54.840 -0.104 0.000 0.758 176 L CB -0.559 41.439 42.059 -0.101 0.000 0.889 176 L HN 0.280 nan 8.230 nan 0.000 0.433 177 L N -0.020 121.076 121.223 -0.211 0.000 2.127 177 L HA -0.161 4.179 4.340 0.000 0.000 0.211 177 L C 2.590 179.358 176.870 -0.169 0.000 1.089 177 L CA 1.937 56.599 54.840 -0.297 0.000 0.757 177 L CB -1.506 40.145 42.059 -0.680 0.000 0.899 177 L HN 0.428 nan 8.230 nan 0.000 0.434 178 A N -1.294 121.487 122.820 -0.064 0.000 2.072 178 A HA -0.004 4.316 4.320 0.000 0.000 0.216 178 A C 2.049 179.637 177.584 0.006 0.000 1.156 178 A CA 0.514 52.588 52.037 0.062 0.000 0.701 178 A CB -0.487 18.607 19.000 0.155 0.000 0.816 178 A HN 0.309 nan 8.150 nan 0.000 0.458 179 L N -0.469 120.704 121.223 -0.083 0.000 2.610 179 L HA 0.122 4.462 4.340 0.000 0.000 0.232 179 L C 1.226 177.996 176.870 -0.167 0.000 1.149 179 L CA 1.472 56.197 54.840 -0.191 0.000 0.872 179 L CB -0.291 41.598 42.059 -0.284 0.000 0.992 179 L HN 0.440 nan 8.230 nan 0.000 0.447 180 E N -2.036 118.133 120.200 -0.051 0.000 2.490 180 E HA -0.022 4.328 4.350 0.000 0.000 0.209 180 E C 1.521 178.175 176.600 0.090 0.000 0.971 180 E CA -0.012 56.406 56.400 0.030 0.000 0.988 180 E CB 0.413 30.112 29.700 -0.001 0.000 1.029 180 E HN 0.326 nan 8.360 nan 0.000 0.496 181 Q N 0.212 120.061 119.800 0.082 0.000 2.212 181 Q HA 0.054 4.394 4.340 0.000 0.000 0.199 181 Q C 1.702 177.789 176.000 0.146 0.000 0.950 181 Q CA 1.084 56.954 55.803 0.112 0.000 0.863 181 Q CB 0.319 29.137 28.738 0.133 0.000 0.944 181 Q HN 0.115 nan 8.270 nan 0.000 0.465 182 M N -1.223 118.482 119.600 0.174 0.000 2.506 182 M HA -0.013 4.467 4.480 0.000 0.000 0.260 182 M C 1.542 178.038 176.300 0.326 0.000 1.104 182 M CA 1.132 56.574 55.300 0.237 0.000 1.112 182 M CB -0.725 32.055 32.600 0.301 0.000 1.401 182 M HN 0.401 nan 8.290 nan 0.000 0.473 183 H N -0.059 119.120 119.070 0.181 0.000 2.428 183 H HA 0.001 4.557 4.556 0.000 0.000 0.296 183 H C 2.016 177.409 175.328 0.108 0.000 1.062 183 H CA 0.641 56.802 56.048 0.187 0.000 1.350 183 H CB 0.516 30.337 29.762 0.097 0.000 1.403 183 H HN 0.293 nan 8.280 nan 0.000 0.533 184 R N 0.649 121.239 120.500 0.150 0.000 2.096 184 R HA -0.130 4.210 4.340 0.000 0.000 0.229 184 R C 0.212 176.544 176.300 0.053 0.000 1.134 184 R CA 1.661 57.793 56.100 0.054 0.000 0.917 184 R CB -0.275 30.059 30.300 0.057 0.000 0.832 184 R HN 0.422 nan 8.270 nan 0.000 0.430 185 N N 0.704 119.451 118.700 0.078 0.000 2.483 185 N HA 0.168 4.908 4.740 0.000 0.000 0.267 185 N C -2.518 173.041 175.510 0.080 0.000 0.998 185 N CA -1.787 51.300 53.050 0.063 0.000 0.918 185 N CB 1.539 40.056 38.487 0.049 0.000 1.215 185 N HN -0.071 nan 8.380 nan 0.000 0.500 186 P HA -0.039 nan 4.420 nan 0.000 0.301 186 P C -0.996 176.321 177.300 0.027 0.000 1.560 186 P CA 0.492 63.615 63.100 0.038 0.000 0.784 186 P CB -0.292 31.408 31.700 0.001 0.000 1.715 187 K N -0.355 120.076 120.400 0.052 0.000 2.606 187 K HA 0.413 4.733 4.320 0.000 0.000 0.259 187 K C -1.122 175.520 176.600 0.070 0.000 1.001 187 K CA -0.368 55.950 56.287 0.051 0.000 0.881 187 K CB 1.938 34.458 32.500 0.034 0.000 1.288 187 K HN -0.229 nan 8.250 nan 0.000 0.452 188 T N 2.083 116.693 114.554 0.092 0.000 3.578 188 T HA 0.280 4.630 4.350 0.000 0.000 0.343 188 T C -0.246 174.531 174.700 0.128 0.000 1.126 188 T CA -0.819 61.342 62.100 0.102 0.000 1.092 188 T CB 1.376 70.320 68.868 0.127 0.000 1.160 188 T HN 0.383 nan 8.240 nan 0.000 0.469 189 R N 1.056 121.594 120.500 0.064 0.000 2.743 189 R HA 0.385 4.725 4.340 0.000 0.000 0.167 189 R C 0.552 176.786 176.300 -0.109 0.000 0.873 189 R CA -0.825 55.282 56.100 0.012 0.000 1.366 189 R CB 0.147 30.420 30.300 -0.045 0.000 0.940 189 R HN 0.297 nan 8.270 nan 0.000 0.545 190 R N 1.611 121.902 120.500 -0.349 0.000 3.400 190 R HA -0.017 4.323 4.340 0.000 0.000 0.194 190 R C -0.063 175.966 176.300 -0.452 0.000 1.676 190 R CA 0.679 56.375 56.100 -0.674 0.000 1.105 190 R CB -1.608 28.357 30.300 -0.558 0.000 1.241 190 R HN 0.880 nan 8.270 nan 0.000 0.643 191 G N 1.996 110.611 108.800 -0.308 0.000 2.387 191 G HA2 -0.280 3.680 3.960 0.000 0.000 0.270 191 G HA3 -0.280 3.680 3.960 0.000 0.000 0.270 191 G C 0.415 175.287 174.900 -0.047 0.000 0.957 191 G CA 0.036 45.084 45.100 -0.087 0.000 1.352 191 G HN 0.644 nan 8.290 nan 0.000 0.457 192 E N 0.028 120.236 120.200 0.013 0.000 2.472 192 E HA 0.046 4.396 4.350 0.000 0.000 0.196 192 E C 1.287 177.910 176.600 0.039 0.000 1.033 192 E CA -0.014 56.394 56.400 0.012 0.000 0.886 192 E CB 0.478 30.193 29.700 0.025 0.000 0.944 192 E HN 0.465 nan 8.360 nan 0.000 0.492 193 N N 1.032 119.779 118.700 0.079 0.000 2.696 193 N HA 0.004 4.744 4.740 0.000 0.000 0.308 193 N C -0.488 175.078 175.510 0.094 0.000 1.915 193 N CA 0.229 53.353 53.050 0.124 0.000 0.906 193 N CB 0.230 38.837 38.487 0.200 0.000 1.284 193 N HN 0.075 nan 8.380 nan 0.000 0.488 194 E N -0.333 119.820 120.200 -0.079 0.000 4.000 194 E HA -0.336 4.014 4.350 0.000 0.000 0.226 194 E C 0.355 176.820 176.600 -0.225 0.000 1.270 194 E CA 2.710 58.923 56.400 -0.312 0.000 2.118 194 E CB -1.246 28.009 29.700 -0.741 0.000 1.850 194 E HN 0.546 nan 8.360 nan 0.000 0.280 195 W N 0.958 122.303 121.300 0.076 0.000 2.364 195 W HA -0.019 4.641 4.660 0.000 0.000 0.281 195 W C 2.343 178.941 176.519 0.132 0.000 1.219 195 W CA 0.924 58.328 57.345 0.098 0.000 1.220 195 W CB -0.809 28.698 29.460 0.078 0.000 1.127 195 W HN 0.048 nan 8.180 nan 0.000 0.556 196 V N 0.836 120.946 119.914 0.328 0.000 2.343 196 V HA -0.327 3.793 4.120 0.000 0.000 0.247 196 V C 1.886 178.248 176.094 0.446 0.000 1.051 196 V CA 2.518 65.011 62.300 0.321 0.000 1.036 196 V CB -0.810 31.170 31.823 0.261 0.000 0.654 196 V HN 0.129 nan 8.190 nan 0.000 0.451 197 D N -0.508 120.066 120.400 0.291 0.000 2.277 197 D HA -0.095 4.545 4.640 0.000 0.000 0.208 197 D C 2.020 178.539 176.300 0.365 0.000 0.962 197 D CA 0.712 54.884 54.000 0.286 0.000 0.865 197 D CB -0.046 40.748 40.800 -0.011 0.000 0.939 197 D HN 0.351 nan 8.370 nan 0.000 0.510 198 K N -0.075 120.480 120.400 0.259 0.000 2.486 198 K HA 0.039 4.359 4.320 0.000 0.000 0.194 198 K C 0.963 177.726 176.600 0.271 0.000 1.033 198 K CA 0.134 56.560 56.287 0.233 0.000 1.004 198 K CB 0.510 33.136 32.500 0.209 0.000 0.798 198 K HN 0.277 nan 8.250 nan 0.000 0.495 199 I N -0.798 119.909 120.570 0.228 0.000 3.419 199 I HA -0.060 4.110 4.170 0.000 0.000 0.286 199 I C 0.895 176.879 176.117 -0.221 0.000 1.268 199 I CA 0.764 62.033 61.300 -0.052 0.000 1.414 199 I CB -0.593 37.301 38.000 -0.177 0.000 1.074 199 I HN 0.242 nan 8.210 nan 0.000 0.457 200 W N 1.114 122.407 121.300 -0.013 0.000 2.942 200 W HA 0.131 4.791 4.660 0.000 0.000 0.263 200 W C 2.139 178.654 176.519 -0.007 0.000 1.296 200 W CA -0.191 57.138 57.345 -0.026 0.000 1.504 200 W CB -0.429 29.020 29.460 -0.018 0.000 1.096 200 W HN 0.085 nan 8.180 nan 0.000 0.639 201 E N 0.289 120.620 120.200 0.218 0.000 2.331 201 E HA -0.196 4.154 4.350 0.000 0.000 0.199 201 E C 1.725 178.387 176.600 0.104 0.000 1.008 201 E CA 0.913 57.402 56.400 0.149 0.000 0.843 201 E CB -0.087 29.705 29.700 0.153 0.000 0.761 201 E HN 0.207 nan 8.360 nan 0.000 0.507 202 L N -0.456 120.800 121.223 0.054 0.000 2.269 202 L HA 0.065 4.405 4.340 0.000 0.000 0.200 202 L C 1.713 178.539 176.870 -0.074 0.000 1.069 202 L CA 0.842 55.666 54.840 -0.026 0.000 0.804 202 L CB 0.010 41.978 42.059 -0.152 0.000 0.987 202 L HN 0.035 nan 8.230 nan 0.000 0.468 203 L N -0.126 121.013 121.223 -0.140 0.000 2.700 203 L HA -0.104 4.236 4.340 0.000 0.000 0.240 203 L C 0.882 177.789 176.870 0.061 0.000 1.162 203 L CA 0.588 55.330 54.840 -0.163 0.000 0.874 203 L CB -0.310 41.472 42.059 -0.462 0.000 1.001 203 L HN 0.345 nan 8.230 nan 0.000 0.447 204 D N -2.035 118.421 120.400 0.094 0.000 2.331 204 D HA 0.147 4.787 4.640 0.000 0.000 0.300 204 D C 1.936 178.289 176.300 0.089 0.000 1.090 204 D CA 0.752 54.826 54.000 0.123 0.000 0.905 204 D CB 0.279 41.166 40.800 0.145 0.000 1.600 204 D HN 0.138 nan 8.370 nan 0.000 0.511 205 A N 0.763 123.623 122.820 0.067 0.000 2.067 205 A HA 0.073 4.393 4.320 0.000 0.000 0.217 205 A C 2.077 179.720 177.584 0.099 0.000 1.156 205 A CA 0.666 52.733 52.037 0.050 0.000 0.683 205 A CB -0.328 18.680 19.000 0.014 0.000 0.808 205 A HN 0.147 nan 8.150 nan 0.000 0.455 206 I N -1.088 119.534 120.570 0.087 0.000 2.731 206 I HA -0.075 4.095 4.170 0.000 0.000 0.260 206 I C 1.643 177.850 176.117 0.150 0.000 1.138 206 I CA 0.508 61.874 61.300 0.111 0.000 1.461 206 I CB -0.262 37.751 38.000 0.020 0.000 1.128 206 I HN 0.206 nan 8.210 nan 0.000 0.438 207 D N 1.204 121.699 120.400 0.157 0.000 2.087 207 D HA -0.109 4.531 4.640 0.000 0.000 0.192 207 D C 0.937 177.307 176.300 0.117 0.000 0.993 207 D CA 1.231 55.341 54.000 0.184 0.000 0.828 207 D CB -0.074 40.825 40.800 0.166 0.000 0.968 207 D HN 0.275 nan 8.370 nan 0.000 0.448 208 E N -0.512 119.751 120.200 0.105 0.000 2.421 208 E HA 0.014 4.364 4.350 0.000 0.000 0.253 208 E C 0.687 177.364 176.600 0.129 0.000 1.277 208 E CA -0.509 55.944 56.400 0.088 0.000 0.968 208 E CB 0.613 30.364 29.700 0.084 0.000 1.040 208 E HN 0.197 nan 8.360 nan 0.000 0.512 209 Y N -0.790 119.450 120.300 -0.100 0.000 2.740 209 Y HA -0.341 4.209 4.550 0.000 0.000 0.482 209 Y C 0.157 175.818 175.900 -0.399 0.000 1.156 209 Y CA 1.747 59.725 58.100 -0.202 0.000 2.839 209 Y CB -1.319 37.055 38.460 -0.143 0.000 0.979 209 Y HN 0.500 nan 8.280 nan 0.000 0.561 210 I N 4.890 125.221 120.570 -0.397 0.000 2.269 210 I HA 0.219 4.389 4.170 0.000 0.000 0.293 210 I C -1.676 174.311 176.117 -0.216 0.000 1.106 210 I CA -1.579 59.428 61.300 -0.489 0.000 1.248 210 I CB 0.590 38.484 38.000 -0.177 0.000 1.444 210 I HN 0.095 nan 8.210 nan 0.000 0.497 211 P HA 0.098 nan 4.420 nan 0.000 0.291 211 P C -0.336 176.949 177.300 -0.026 0.000 1.287 211 P CA -0.103 62.950 63.100 -0.079 0.000 0.767 211 P CB 0.564 32.236 31.700 -0.046 0.000 1.290 212 T N 1.155 115.700 114.554 -0.016 0.000 2.815 212 T HA 0.418 4.768 4.350 0.000 0.000 0.289 212 T C -1.776 172.920 174.700 -0.007 0.000 1.000 212 T CA -0.760 61.326 62.100 -0.024 0.000 0.958 212 T CB 0.819 69.660 68.868 -0.044 0.000 0.944 212 T HN 0.425 nan 8.240 nan 0.000 0.442 213 P HA 0.484 nan 4.420 nan 0.000 0.289 213 P C -0.308 176.987 177.300 -0.008 0.000 1.299 213 P CA -0.548 62.553 63.100 0.002 0.000 0.766 213 P CB 0.729 32.433 31.700 0.006 0.000 1.226 214 V N 0.055 119.966 119.914 -0.004 0.000 2.997 214 V HA 0.363 4.483 4.120 0.000 0.000 0.311 214 V C 0.131 176.221 176.094 -0.008 0.000 1.066 214 V CA -0.491 61.806 62.300 -0.005 0.000 1.039 214 V CB 0.927 32.749 31.823 -0.001 0.000 1.081 214 V HN 0.533 nan 8.190 nan 0.000 0.467 215 R N 1.923 122.420 120.500 -0.005 0.000 2.647 215 R HA 0.252 4.592 4.340 0.000 0.000 0.295 215 R C -0.732 175.568 176.300 -0.000 0.000 1.267 215 R CA -0.099 55.997 56.100 -0.006 0.000 1.386 215 R CB -0.048 30.249 30.300 -0.006 0.000 1.309 215 R HN 1.009 nan 8.270 nan 0.000 0.692 216 D N -0.532 119.869 120.400 0.000 0.000 8.089 216 D HA -0.188 4.452 4.640 0.000 0.000 0.148 216 D C 1.246 177.554 176.300 0.012 0.000 1.326 216 D CA 0.470 54.473 54.000 0.005 0.000 0.871 216 D CB 0.385 41.186 40.800 0.002 0.000 1.699 216 D HN 0.215 nan 8.370 nan 0.000 0.977 217 V N -0.943 118.984 119.914 0.020 0.000 3.129 217 V HA -0.085 4.035 4.120 0.000 0.000 0.259 217 V C 1.329 177.445 176.094 0.037 0.000 1.116 217 V CA 1.164 63.485 62.300 0.035 0.000 1.127 217 V CB -0.211 31.635 31.823 0.038 0.000 0.742 217 V HN 0.298 nan 8.190 nan 0.000 0.474 218 D N 0.390 120.806 120.400 0.026 0.000 2.378 218 D HA 0.011 4.651 4.640 0.000 0.000 0.222 218 D C 1.181 177.497 176.300 0.027 0.000 0.980 218 D CA 0.705 54.720 54.000 0.025 0.000 0.907 218 D CB 0.067 40.877 40.800 0.017 0.000 0.899 218 D HN 0.389 nan 8.370 nan 0.000 0.527 219 K N 0.255 120.672 120.400 0.028 0.000 2.179 219 K HA 0.300 4.620 4.320 0.000 0.000 0.238 219 K C -1.707 174.922 176.600 0.049 0.000 1.033 219 K CA -1.697 54.606 56.287 0.028 0.000 0.926 219 K CB -0.254 32.254 32.500 0.013 0.000 1.151 219 K HN -0.175 nan 8.250 nan 0.000 0.492 220 P HA 0.011 nan 4.420 nan 0.000 0.309 220 P C -0.394 177.001 177.300 0.158 0.000 1.423 220 P CA 0.330 63.483 63.100 0.089 0.000 0.814 220 P CB 0.161 31.902 31.700 0.068 0.000 1.900 221 F N -1.463 118.487 119.950 0.001 0.000 2.620 221 F HA 0.733 5.260 4.527 0.000 0.000 0.320 221 F C -1.438 174.362 175.800 -0.000 0.000 1.069 221 F CA -0.922 57.078 58.000 -0.000 0.000 0.953 221 F CB 1.451 40.449 39.000 -0.003 0.000 1.322 221 F HN 0.090 nan 8.300 nan 0.000 0.479 222 L N 3.852 124.335 121.223 -1.234 0.000 3.150 222 L HA 0.580 4.920 4.340 0.000 0.000 0.231 222 L C -2.155 174.244 176.870 -0.786 0.000 0.994 222 L CA -0.443 53.977 54.840 -0.699 0.000 1.050 222 L CB 1.710 43.590 42.059 -0.299 0.000 1.506 222 L HN 0.864 nan 8.230 nan 0.000 0.420 223 M N 3.283 122.643 119.600 -0.399 0.000 2.497 223 M HA 0.517 4.997 4.480 0.000 0.000 0.189 223 M C -2.984 173.255 176.300 -0.102 0.000 0.906 223 M CA -0.556 54.601 55.300 -0.239 0.000 0.749 223 M CB 1.170 33.623 32.600 -0.246 0.000 2.521 223 M HN 0.266 nan 8.290 nan 0.000 0.410 224 P HA 0.129 nan 4.420 nan 0.000 0.268 224 P C -0.661 176.624 177.300 -0.025 0.000 1.208 224 P CA -0.175 62.908 63.100 -0.028 0.000 0.777 224 P CB 0.838 32.538 31.700 0.001 0.000 0.875 225 V N 3.429 123.328 119.914 -0.026 0.000 2.383 225 V HA 0.066 4.186 4.120 0.000 0.000 0.275 225 V C 1.490 177.560 176.094 -0.041 0.000 1.036 225 V CA 0.202 62.476 62.300 -0.044 0.000 0.889 225 V CB 0.606 32.401 31.823 -0.048 0.000 0.985 225 V HN 0.568 nan 8.190 nan 0.000 0.459 226 E N 2.677 122.838 120.200 -0.065 0.000 2.099 226 E HA 0.096 4.446 4.350 0.000 0.000 0.191 226 E C 0.153 176.708 176.600 -0.076 0.000 0.962 226 E CA 0.359 56.728 56.400 -0.051 0.000 0.826 226 E CB 0.489 30.159 29.700 -0.050 0.000 0.788 226 E HN 0.693 nan 8.360 nan 0.000 0.461 227 D N -0.786 119.514 120.400 -0.167 0.000 2.812 227 D HA 0.369 5.009 4.640 0.000 0.000 0.318 227 D C -1.658 174.473 176.300 -0.282 0.000 1.234 227 D CA -0.675 53.223 54.000 -0.171 0.000 0.989 227 D CB 2.651 43.363 40.800 -0.146 0.000 1.442 227 D HN -0.192 nan 8.370 nan 0.000 0.537 228 V N 1.632 121.416 119.914 -0.217 0.000 2.711 228 V HA 0.489 4.609 4.120 0.000 0.000 0.304 228 V C -0.528 175.617 176.094 0.084 0.000 1.097 228 V CA -0.750 61.444 62.300 -0.177 0.000 0.906 228 V CB 1.542 33.332 31.823 -0.055 0.000 1.015 228 V HN 0.440 nan 8.190 nan 0.000 0.427 229 F N 1.518 121.457 119.950 -0.018 0.000 2.585 229 F HA 0.862 5.389 4.527 0.000 0.000 0.350 229 F C 0.575 176.367 175.800 -0.013 0.000 1.074 229 F CA -0.940 57.049 58.000 -0.018 0.000 1.032 229 F CB 2.594 41.579 39.000 -0.024 0.000 1.330 229 F HN 0.529 nan 8.300 nan 0.000 0.495 230 T N -0.180 114.496 114.554 0.202 0.000 2.933 230 T HA 0.741 5.091 4.350 0.000 0.000 0.305 230 T C -1.225 173.511 174.700 0.061 0.000 1.092 230 T CA -0.741 61.417 62.100 0.096 0.000 1.008 230 T CB 2.040 70.944 68.868 0.059 0.000 1.102 230 T HN 0.418 nan 8.240 nan 0.000 0.469 231 I N 0.043 120.639 120.570 0.044 0.000 3.006 231 I HA 0.352 4.522 4.170 0.000 0.000 0.306 231 I C -0.116 176.010 176.117 0.015 0.000 1.250 231 I CA -0.920 60.395 61.300 0.026 0.000 0.996 231 I CB 1.725 39.745 38.000 0.034 0.000 1.261 231 I HN 0.659 nan 8.210 nan 0.000 0.442 232 T N 3.448 118.007 114.554 0.007 0.000 2.759 232 T HA 0.343 4.693 4.350 0.000 0.000 0.273 232 T C 1.124 175.827 174.700 0.006 0.000 0.938 232 T CA 1.456 63.558 62.100 0.005 0.000 1.197 232 T CB -0.193 68.675 68.868 0.000 0.000 0.887 232 T HN 1.157 nan 8.240 nan 0.000 0.540 233 G N 3.978 112.782 108.800 0.006 0.000 2.358 233 G HA2 -0.263 3.697 3.960 0.000 0.000 0.224 233 G HA3 -0.263 3.697 3.960 0.000 0.000 0.224 233 G C 1.360 176.265 174.900 0.008 0.000 1.073 233 G CA 0.001 45.105 45.100 0.006 0.000 0.635 233 G HN 0.506 nan 8.290 nan 0.000 0.509 234 R N 0.769 121.276 120.500 0.012 0.000 2.005 234 R HA 0.527 4.867 4.340 0.000 0.000 0.213 234 R C 1.938 178.248 176.300 0.017 0.000 1.308 234 R CA 2.418 58.527 56.100 0.015 0.000 1.022 234 R CB -1.158 29.154 30.300 0.021 0.000 0.883 234 R HN 1.679 nan 8.270 nan 0.000 0.470 235 G N -0.435 108.381 108.800 0.027 0.000 2.541 235 G HA2 -0.217 3.743 3.960 0.000 0.000 0.208 235 G HA3 -0.217 3.743 3.960 0.000 0.000 0.208 235 G C -0.885 174.041 174.900 0.043 0.000 1.191 235 G CA -0.149 44.968 45.100 0.029 0.000 1.217 235 G HN 0.253 nan 8.290 nan 0.000 0.566 236 T N 1.394 115.966 114.554 0.030 0.000 2.769 236 T HA 0.490 4.840 4.350 0.000 0.000 0.293 236 T C 0.052 174.761 174.700 0.015 0.000 0.931 236 T CA 0.223 62.339 62.100 0.027 0.000 1.139 236 T CB 1.232 70.106 68.868 0.009 0.000 0.881 236 T HN 0.815 nan 8.240 nan 0.000 0.532 237 V N 2.819 122.743 119.914 0.016 0.000 2.628 237 V HA 0.748 4.868 4.120 0.000 0.000 0.306 237 V C 0.067 176.082 176.094 -0.131 0.000 1.045 237 V CA -0.987 61.300 62.300 -0.021 0.000 0.905 237 V CB 1.812 33.663 31.823 0.048 0.000 0.997 237 V HN 1.013 nan 8.190 nan 0.000 0.436 238 A N 3.052 125.799 122.820 -0.122 0.000 2.304 238 A HA 0.812 5.132 4.320 0.000 0.000 0.323 238 A C 0.085 177.553 177.584 -0.192 0.000 1.195 238 A CA -0.421 51.519 52.037 -0.162 0.000 0.826 238 A CB 1.050 20.006 19.000 -0.074 0.000 1.184 238 A HN 0.911 nan 8.150 nan 0.000 0.496 239 T N -0.335 114.050 114.554 -0.282 0.000 2.824 239 T HA 0.839 5.189 4.350 0.000 0.000 0.280 239 T C 0.041 174.661 174.700 -0.133 0.000 0.995 239 T CA -0.135 61.819 62.100 -0.243 0.000 1.009 239 T CB 1.554 70.179 68.868 -0.405 0.000 0.955 239 T HN 2.150 nan 8.240 nan 0.000 0.452 240 G N 1.295 110.058 108.800 -0.061 0.000 2.358 240 G HA2 0.371 4.331 3.960 0.000 0.000 0.301 240 G HA3 0.371 4.331 3.960 0.000 0.000 0.301 240 G C -1.423 173.484 174.900 0.012 0.000 1.539 240 G CA -1.258 43.832 45.100 -0.018 0.000 0.893 240 G HN 0.864 nan 8.290 nan 0.000 0.636 241 R N 0.687 121.200 120.500 0.021 0.000 2.490 241 R HA 0.507 4.847 4.340 0.000 0.000 0.280 241 R C -0.083 176.202 176.300 -0.025 0.000 1.077 241 R CA -0.547 55.566 56.100 0.022 0.000 1.065 241 R CB 0.419 30.736 30.300 0.029 0.000 1.003 241 R HN 0.428 nan 8.270 nan 0.000 0.470 242 I N 3.756 124.313 120.570 -0.022 0.000 2.441 242 I HA 0.006 4.176 4.170 0.000 0.000 0.287 242 I C 0.830 176.879 176.117 -0.114 0.000 1.049 242 I CA 0.039 61.276 61.300 -0.106 0.000 1.381 242 I CB 1.590 39.580 38.000 -0.018 0.000 1.409 242 I HN 0.768 nan 8.210 nan 0.000 0.523 243 E N 4.576 124.660 120.200 -0.192 0.000 2.132 243 E HA 0.081 4.431 4.350 0.000 0.000 0.193 243 E C 0.006 176.537 176.600 -0.114 0.000 0.951 243 E CA 0.685 57.009 56.400 -0.127 0.000 0.843 243 E CB 0.414 30.041 29.700 -0.121 0.000 0.807 243 E HN 0.563 nan 8.360 nan 0.000 0.467 244 R N -1.424 118.970 120.500 -0.176 0.000 2.725 244 R HA 0.634 4.974 4.340 0.000 0.000 0.277 244 R C 0.440 176.719 176.300 -0.036 0.000 0.987 244 R CA -0.310 55.737 56.100 -0.089 0.000 0.901 244 R CB 1.449 31.710 30.300 -0.065 0.000 1.207 244 R HN 0.163 nan 8.270 nan 0.000 0.463 245 G N 1.942 110.775 108.800 0.057 0.000 2.547 245 G HA2 -0.317 3.643 3.960 0.000 0.000 0.271 245 G HA3 -0.317 3.643 3.960 0.000 0.000 0.271 245 G C -1.137 173.902 174.900 0.232 0.000 1.209 245 G CA 0.488 45.679 45.100 0.152 0.000 0.959 245 G HN 1.046 nan 8.290 nan 0.000 0.563 246 K N -1.849 118.752 120.400 0.334 0.000 2.597 246 K HA 0.691 5.011 4.320 0.000 0.000 0.282 246 K C -0.745 175.868 176.600 0.021 0.000 0.975 246 K CA -0.673 55.770 56.287 0.260 0.000 0.867 246 K CB 2.002 34.571 32.500 0.115 0.000 1.465 246 K HN 1.648 nan 8.250 nan 0.000 0.417 247 V N -1.706 118.139 119.914 -0.114 0.000 3.001 247 V HA 0.787 4.907 4.120 0.000 0.000 0.314 247 V C -0.972 175.029 176.094 -0.156 0.000 1.099 247 V CA -0.844 61.242 62.300 -0.357 0.000 0.989 247 V CB 1.567 32.973 31.823 -0.696 0.000 1.040 247 V HN 1.021 nan 8.190 nan 0.000 0.434 248 K N 0.487 120.794 120.400 -0.155 0.000 2.578 248 K HA 0.670 4.990 4.320 0.000 0.000 0.287 248 K C -1.429 175.119 176.600 -0.088 0.000 1.010 248 K CA -0.943 55.292 56.287 -0.087 0.000 0.889 248 K CB 1.880 34.345 32.500 -0.059 0.000 1.514 248 K HN 0.437 nan 8.250 nan 0.000 0.424 249 V N 0.910 120.790 119.914 -0.057 0.000 2.599 249 V HA 0.298 4.418 4.120 0.000 0.000 0.300 249 V C 1.214 177.277 176.094 -0.052 0.000 1.034 249 V CA 1.563 63.832 62.300 -0.051 0.000 1.115 249 V CB -0.010 31.794 31.823 -0.032 0.000 0.934 249 V HN 1.101 nan 8.190 nan 0.000 0.485 250 G N 3.212 111.978 108.800 -0.056 0.000 2.145 250 G HA2 -0.130 3.830 3.960 0.000 0.000 0.176 250 G HA3 -0.130 3.830 3.960 0.000 0.000 0.176 250 G C -0.416 174.445 174.900 -0.064 0.000 1.013 250 G CA -0.277 44.792 45.100 -0.050 0.000 0.689 250 G HN 0.670 nan 8.290 nan 0.000 0.506 251 D N 0.710 121.057 120.400 -0.088 0.000 2.375 251 D HA 0.429 5.069 4.640 0.000 0.000 0.247 251 D C 0.215 176.456 176.300 -0.098 0.000 1.061 251 D CA -0.310 53.624 54.000 -0.110 0.000 0.834 251 D CB 1.412 42.100 40.800 -0.186 0.000 1.247 251 D HN 0.426 nan 8.370 nan 0.000 0.489 252 E N 0.519 120.675 120.200 -0.074 0.000 2.331 252 E HA 0.431 4.781 4.350 0.000 0.000 0.272 252 E C -0.102 176.467 176.600 -0.052 0.000 1.036 252 E CA -0.670 55.699 56.400 -0.052 0.000 0.864 252 E CB 1.775 31.455 29.700 -0.032 0.000 1.035 252 E HN 0.282 nan 8.360 nan 0.000 0.408 253 V N -0.538 119.357 119.914 -0.032 0.000 3.188 253 V HA 0.511 4.631 4.120 0.000 0.000 0.305 253 V C -1.150 174.952 176.094 0.014 0.000 1.232 253 V CA -0.968 61.332 62.300 0.000 0.000 1.043 253 V CB 2.206 34.028 31.823 -0.000 0.000 1.068 253 V HN 0.625 nan 8.190 nan 0.000 0.439 254 E N 2.249 122.470 120.200 0.035 0.000 2.171 254 E HA 0.586 4.936 4.350 0.000 0.000 0.271 254 E C -1.089 175.519 176.600 0.013 0.000 0.916 254 E CA -0.680 55.728 56.400 0.013 0.000 0.774 254 E CB 2.689 32.392 29.700 0.004 0.000 1.128 254 E HN 0.696 nan 8.360 nan 0.000 0.403 255 I N 3.518 124.085 120.570 -0.006 0.000 2.316 255 I HA 0.140 4.310 4.170 0.000 0.000 0.286 255 I C -0.656 175.440 176.117 -0.035 0.000 1.107 255 I CA -0.597 60.695 61.300 -0.014 0.000 1.219 255 I CB 0.501 38.492 38.000 -0.015 0.000 1.455 255 I HN 0.161 nan 8.210 nan 0.000 0.498 256 V N 4.158 124.045 119.914 -0.045 0.000 2.334 256 V HA 0.717 4.837 4.120 0.000 0.000 0.267 256 V C 0.689 176.732 176.094 -0.084 0.000 1.040 256 V CA -0.434 61.822 62.300 -0.074 0.000 0.866 256 V CB 0.877 32.646 31.823 -0.090 0.000 1.019 256 V HN 0.870 nan 8.190 nan 0.000 0.468 257 G N 4.495 113.242 108.800 -0.087 0.000 3.411 257 G HA2 0.518 4.478 3.960 0.000 0.000 0.298 257 G HA3 0.518 4.478 3.960 0.000 0.000 0.298 257 G C -1.025 173.825 174.900 -0.083 0.000 3.379 257 G CA -0.637 44.408 45.100 -0.090 0.000 0.608 257 G HN 0.661 nan 8.290 nan 0.000 0.292 258 L N -0.809 120.355 121.223 -0.098 0.000 0.591 258 L HA 0.159 4.499 4.340 0.000 0.000 0.356 258 L C 1.206 178.037 176.870 -0.064 0.000 1.007 258 L CA 2.020 56.811 54.840 -0.083 0.000 1.223 258 L CB -1.091 40.925 42.059 -0.072 0.000 0.022 258 L HN 2.795 nan 8.230 nan 0.000 0.093 259 A N -1.171 121.616 122.820 -0.055 0.000 3.277 259 A HA 0.111 4.431 4.320 0.000 0.000 0.654 259 A C -0.825 176.732 177.584 -0.046 0.000 0.495 259 A CA 0.076 52.086 52.037 -0.044 0.000 0.233 259 A CB -2.414 16.564 19.000 -0.037 0.000 3.774 259 A HN 1.094 nan 8.150 nan 0.000 0.535 260 P HA -0.212 nan 4.420 nan 0.000 0.271 260 P C 0.281 177.554 177.300 -0.046 0.000 1.272 260 P CA 1.870 64.948 63.100 -0.037 0.000 1.296 260 P CB -0.047 31.634 31.700 -0.031 0.000 0.698 261 E N -1.891 118.283 120.200 -0.044 0.000 2.336 261 E HA 0.325 4.675 4.350 0.000 0.000 0.267 261 E C -0.568 176.001 176.600 -0.052 0.000 0.906 261 E CA -0.403 55.965 56.400 -0.053 0.000 0.781 261 E CB 0.693 30.366 29.700 -0.046 0.000 1.261 261 E HN 0.477 nan 8.360 nan 0.000 0.436 262 T N -0.570 113.947 114.554 -0.062 0.000 2.903 262 T HA -0.038 4.312 4.350 0.000 0.000 0.299 262 T C 0.388 175.064 174.700 -0.039 0.000 1.041 262 T CA 0.024 62.091 62.100 -0.056 0.000 1.138 262 T CB 0.399 69.231 68.868 -0.061 0.000 1.040 262 T HN 0.435 nan 8.240 nan 0.000 0.524 263 R N 2.500 122.981 120.500 -0.032 0.000 2.337 263 R HA 0.334 4.674 4.340 0.000 0.000 0.319 263 R C 0.379 176.668 176.300 -0.019 0.000 0.954 263 R CA -0.957 55.128 56.100 -0.024 0.000 0.840 263 R CB 0.815 31.101 30.300 -0.023 0.000 1.164 263 R HN 0.900 nan 8.270 nan 0.000 0.472 264 R N 2.611 123.100 120.500 -0.018 0.000 2.298 264 R HA 0.380 4.720 4.340 0.000 0.000 0.310 264 R C -1.115 175.176 176.300 -0.015 0.000 1.068 264 R CA -0.276 55.815 56.100 -0.015 0.000 0.957 264 R CB 1.169 31.460 30.300 -0.015 0.000 1.003 264 R HN 0.485 nan 8.270 nan 0.000 0.454 265 T N 1.251 115.795 114.554 -0.016 0.000 2.853 265 T HA 0.299 4.649 4.350 0.000 0.000 0.311 265 T C -0.532 174.152 174.700 -0.027 0.000 1.307 265 T CA -0.826 61.262 62.100 -0.019 0.000 1.019 265 T CB 1.797 70.655 68.868 -0.017 0.000 1.264 265 T HN 0.344 nan 8.240 nan 0.000 0.497 266 V N 1.411 121.308 119.914 -0.030 0.000 2.617 266 V HA 0.552 4.672 4.120 0.000 0.000 0.298 266 V C 0.240 176.307 176.094 -0.045 0.000 1.048 266 V CA -0.768 61.508 62.300 -0.041 0.000 0.964 266 V CB 1.748 33.549 31.823 -0.035 0.000 1.004 266 V HN 0.737 nan 8.190 nan 0.000 0.466 267 V N 3.982 123.857 119.914 -0.066 0.000 2.465 267 V HA 0.357 4.477 4.120 0.000 0.000 0.279 267 V C 1.048 177.110 176.094 -0.052 0.000 1.045 267 V CA 0.953 63.214 62.300 -0.065 0.000 0.938 267 V CB 1.571 33.331 31.823 -0.105 0.000 0.986 267 V HN 1.111 nan 8.190 nan 0.000 0.467 268 T N 3.779 118.312 114.554 -0.035 0.000 3.003 268 T HA 0.398 4.748 4.350 0.000 0.000 0.261 268 T C 0.429 175.118 174.700 -0.019 0.000 1.003 268 T CA 0.509 62.593 62.100 -0.026 0.000 0.917 268 T CB -0.307 68.550 68.868 -0.018 0.000 1.084 268 T HN 1.003 nan 8.240 nan 0.000 0.522 269 G N 0.863 109.652 108.800 -0.019 0.000 2.737 269 G HA2 0.562 4.522 3.960 0.000 0.000 0.290 269 G HA3 0.562 4.522 3.960 0.000 0.000 0.290 269 G C -1.402 173.493 174.900 -0.008 0.000 1.482 269 G CA -0.401 44.695 45.100 -0.008 0.000 1.017 269 G HN 0.265 nan 8.290 nan 0.000 0.529 270 V N 2.079 121.990 119.914 -0.006 0.000 2.327 270 V HA 0.475 4.596 4.120 0.000 0.000 0.272 270 V C -0.436 175.665 176.094 0.012 0.000 1.019 270 V CA -0.766 61.534 62.300 -0.000 0.000 0.814 270 V CB 0.853 32.669 31.823 -0.013 0.000 1.040 270 V HN 0.757 nan 8.190 nan 0.000 0.440 271 E N 4.061 124.273 120.200 0.021 0.000 2.246 271 E HA 0.585 4.935 4.350 0.000 0.000 0.266 271 E C -0.861 175.761 176.600 0.036 0.000 0.880 271 E CA -0.572 55.847 56.400 0.031 0.000 0.762 271 E CB 2.906 32.627 29.700 0.035 0.000 1.180 271 E HN 0.659 nan 8.360 nan 0.000 0.416 272 M N 3.255 122.884 119.600 0.049 0.000 2.404 272 M HA 0.287 4.767 4.480 0.000 0.000 0.338 272 M C -0.708 175.671 176.300 0.132 0.000 1.150 272 M CA -0.346 54.990 55.300 0.061 0.000 1.016 272 M CB 0.872 33.508 32.600 0.060 0.000 1.672 272 M HN 0.625 nan 8.290 nan 0.000 0.448 273 H N 5.129 124.235 119.070 0.060 0.000 2.400 273 H HA -0.176 4.380 4.556 0.000 0.000 0.310 273 H C 0.471 175.835 175.328 0.060 0.000 0.923 273 H CA 1.340 57.432 56.048 0.073 0.000 1.024 273 H CB -0.766 29.045 29.762 0.082 0.000 1.611 273 H HN 0.939 nan 8.280 nan 0.000 0.332 274 R N -1.567 118.993 120.500 0.100 0.000 4.059 274 R HA -0.234 4.106 4.340 0.000 0.000 0.421 274 R C 0.119 176.461 176.300 0.070 0.000 1.034 274 R CA 2.000 58.147 56.100 0.078 0.000 1.621 274 R CB -0.402 29.943 30.300 0.076 0.000 2.247 274 R HN 0.277 nan 8.270 nan 0.000 0.540 275 K N 0.621 121.073 120.400 0.085 0.000 2.318 275 K HA 0.291 4.611 4.320 0.000 0.000 0.249 275 K C -0.256 176.377 176.600 0.056 0.000 0.942 275 K CA -0.578 55.748 56.287 0.065 0.000 0.808 275 K CB 1.644 34.183 32.500 0.065 0.000 1.189 275 K HN -0.140 nan 8.250 nan 0.000 0.428 276 T N 2.388 116.966 114.554 0.040 0.000 2.849 276 T HA -0.053 4.297 4.350 0.000 0.000 0.289 276 T C 0.002 174.720 174.700 0.030 0.000 1.010 276 T CA 0.243 62.361 62.100 0.030 0.000 1.161 276 T CB -0.067 68.814 68.868 0.021 0.000 0.989 276 T HN 0.130 nan 8.240 nan 0.000 0.523 277 L N 4.702 125.940 121.223 0.024 0.000 2.322 277 L HA 0.333 4.673 4.340 0.000 0.000 0.281 277 L C 1.033 177.909 176.870 0.011 0.000 1.014 277 L CA -0.379 54.471 54.840 0.018 0.000 0.815 277 L CB 1.630 43.700 42.059 0.019 0.000 1.247 277 L HN 0.609 nan 8.230 nan 0.000 0.421 278 Q N 2.672 122.477 119.800 0.008 0.000 2.016 278 Q HA -0.105 4.235 4.340 0.000 0.000 0.200 278 Q C 0.646 176.645 176.000 -0.002 0.000 0.978 278 Q CA 1.741 57.545 55.803 0.003 0.000 0.833 278 Q CB 0.375 29.116 28.738 0.004 0.000 0.895 278 Q HN 0.707 nan 8.270 nan 0.000 0.427 279 E N -1.367 118.835 120.200 0.004 0.000 2.572 279 E HA 0.234 4.584 4.350 0.000 0.000 0.220 279 E C -0.276 176.337 176.600 0.022 0.000 0.945 279 E CA 0.176 56.578 56.400 0.003 0.000 1.070 279 E CB 0.825 30.529 29.700 0.007 0.000 1.090 279 E HN 0.388 nan 8.360 nan 0.000 0.506 280 G N 2.611 111.428 108.800 0.029 0.000 2.580 280 G HA2 -0.222 3.738 3.960 0.000 0.000 0.289 280 G HA3 -0.222 3.738 3.960 0.000 0.000 0.289 280 G C 0.259 175.217 174.900 0.097 0.000 0.118 280 G CA 0.977 46.110 45.100 0.054 0.000 1.158 280 G HN 0.275 nan 8.290 nan 0.000 0.544 281 I N 0.790 121.412 120.570 0.086 0.000 4.019 281 I HA 0.870 5.040 4.170 0.000 0.000 0.257 281 I C 0.976 177.150 176.117 0.094 0.000 1.421 281 I CA -1.052 60.310 61.300 0.103 0.000 0.967 281 I CB 0.252 38.293 38.000 0.067 0.000 1.591 281 I HN 0.803 nan 8.210 nan 0.000 0.671 282 A N 0.561 123.418 122.820 0.062 0.000 2.451 282 A HA 0.513 4.833 4.320 0.000 0.000 0.266 282 A C 0.884 178.482 177.584 0.023 0.000 1.119 282 A CA 0.290 52.340 52.037 0.022 0.000 0.786 282 A CB -1.319 17.680 19.000 -0.003 0.000 1.061 282 A HN 2.012 nan 8.150 nan 0.000 0.503 283 G N 2.270 111.086 108.800 0.026 0.000 2.145 283 G HA2 -0.065 3.895 3.960 0.000 0.000 0.145 283 G HA3 -0.065 3.895 3.960 0.000 0.000 0.145 283 G C -0.685 174.273 174.900 0.097 0.000 1.017 283 G CA 0.032 45.144 45.100 0.020 0.000 0.682 283 G HN 1.021 nan 8.290 nan 0.000 0.504 284 D N 0.311 120.789 120.400 0.129 0.000 2.602 284 D HA 0.192 4.832 4.640 0.000 0.000 0.245 284 D C -0.746 175.632 176.300 0.129 0.000 1.325 284 D CA -0.641 53.474 54.000 0.191 0.000 0.952 284 D CB 0.416 41.297 40.800 0.135 0.000 1.317 284 D HN 0.197 nan 8.370 nan 0.000 0.577 285 N N 1.454 120.241 118.700 0.146 0.000 2.555 285 N HA 0.193 4.933 4.740 0.000 0.000 0.244 285 N C 0.075 175.605 175.510 0.034 0.000 1.114 285 N CA -0.199 52.904 53.050 0.087 0.000 0.963 285 N CB 1.835 40.392 38.487 0.116 0.000 1.276 285 N HN 0.310 nan 8.380 nan 0.000 0.510 286 V N 1.082 121.015 119.914 0.031 0.000 3.096 286 V HA 0.736 4.856 4.120 0.000 0.000 0.319 286 V C 0.451 176.540 176.094 -0.009 0.000 1.082 286 V CA -0.433 61.875 62.300 0.013 0.000 1.022 286 V CB 1.581 33.426 31.823 0.037 0.000 1.103 286 V HN 0.477 nan 8.190 nan 0.000 0.455 287 G N 2.208 111.004 108.800 -0.006 0.000 2.319 287 G HA2 0.549 4.509 3.960 0.000 0.000 0.308 287 G HA3 0.549 4.509 3.960 0.000 0.000 0.308 287 G C -0.949 173.947 174.900 -0.006 0.000 1.117 287 G CA -0.337 44.749 45.100 -0.022 0.000 0.903 287 G HN 0.894 nan 8.290 nan 0.000 0.436 288 V N 3.964 123.868 119.914 -0.017 0.000 2.350 288 V HA 0.243 4.363 4.120 0.000 0.000 0.276 288 V C 0.061 176.149 176.094 -0.011 0.000 1.028 288 V CA -0.711 61.586 62.300 -0.004 0.000 0.860 288 V CB 1.354 33.187 31.823 0.018 0.000 0.990 288 V HN 0.656 nan 8.190 nan 0.000 0.453 289 L N 6.996 128.215 121.223 -0.007 0.000 2.295 289 L HA 0.443 4.783 4.340 0.000 0.000 0.288 289 L C -0.326 176.537 176.870 -0.012 0.000 1.079 289 L CA 0.254 55.092 54.840 -0.004 0.000 0.830 289 L CB 0.439 42.499 42.059 0.003 0.000 1.200 289 L HN 0.529 nan 8.230 nan 0.000 0.438 290 L N 5.625 126.842 121.223 -0.011 0.000 2.325 290 L HA 0.361 4.701 4.340 0.000 0.000 0.284 290 L C 0.629 177.492 176.870 -0.012 0.000 1.089 290 L CA -0.284 54.548 54.840 -0.014 0.000 0.836 290 L CB 0.537 42.589 42.059 -0.012 0.000 1.184 290 L HN 0.619 nan 8.230 nan 0.000 0.444 291 R N 3.415 123.906 120.500 -0.015 0.000 2.587 291 R HA 0.011 4.351 4.340 0.000 0.000 0.268 291 R C 1.055 177.349 176.300 -0.010 0.000 0.978 291 R CA 0.865 56.958 56.100 -0.012 0.000 1.097 291 R CB 0.226 30.517 30.300 -0.016 0.000 0.917 291 R HN 0.839 nan 8.270 nan 0.000 0.414 292 G N 2.974 111.769 108.800 -0.007 0.000 2.451 292 G HA2 -0.238 3.722 3.960 0.000 0.000 0.296 292 G HA3 -0.238 3.722 3.960 0.000 0.000 0.296 292 G C -0.019 174.877 174.900 -0.006 0.000 0.922 292 G CA 0.613 45.709 45.100 -0.006 0.000 1.074 292 G HN 0.787 nan 8.290 nan 0.000 0.509 293 V N -3.247 116.665 119.914 -0.004 0.000 3.182 293 V HA 0.995 5.115 4.120 0.000 0.000 0.311 293 V C 0.423 176.516 176.094 -0.001 0.000 1.221 293 V CA -0.142 62.156 62.300 -0.004 0.000 1.060 293 V CB 1.727 33.546 31.823 -0.007 0.000 1.164 293 V HN 1.195 nan 8.190 nan 0.000 0.466 294 S N -0.340 115.359 115.700 -0.002 0.000 2.704 294 S HA 0.538 5.008 4.470 0.000 0.000 0.305 294 S C 0.449 175.051 174.600 0.003 0.000 1.107 294 S CA -0.727 57.474 58.200 0.002 0.000 0.993 294 S CB 1.880 65.080 63.200 -0.000 0.000 1.110 294 S HN 0.893 nan 8.310 nan 0.000 0.534 295 R N -0.037 120.468 120.500 0.009 0.000 2.313 295 R HA 0.099 4.439 4.340 0.000 0.000 0.199 295 R C 1.039 177.343 176.300 0.006 0.000 0.958 295 R CA 0.474 56.582 56.100 0.012 0.000 1.047 295 R CB -0.104 30.212 30.300 0.026 0.000 0.955 295 R HN 0.797 nan 8.270 nan 0.000 0.481 296 E N 0.211 120.412 120.200 0.001 0.000 2.045 296 E HA -0.099 4.251 4.350 0.000 0.000 0.190 296 E C 1.221 177.816 176.600 -0.009 0.000 0.968 296 E CA 0.555 56.953 56.400 -0.003 0.000 0.813 296 E CB 0.022 29.720 29.700 -0.003 0.000 0.780 296 E HN 0.365 nan 8.360 nan 0.000 0.455 297 E N 0.768 120.961 120.200 -0.011 0.000 2.448 297 E HA -0.117 4.233 4.350 0.000 0.000 0.203 297 E C 0.069 176.657 176.600 -0.019 0.000 1.046 297 E CA 0.503 56.894 56.400 -0.016 0.000 0.871 297 E CB 0.159 29.850 29.700 -0.015 0.000 0.790 297 E HN 0.001 nan 8.360 nan 0.000 0.545 298 V N 1.850 121.753 119.914 -0.018 0.000 2.361 298 V HA 0.158 4.278 4.120 0.000 0.000 0.252 298 V C -0.127 175.950 176.094 -0.028 0.000 0.986 298 V CA -0.469 61.817 62.300 -0.024 0.000 1.033 298 V CB 0.525 32.334 31.823 -0.024 0.000 1.282 298 V HN 0.014 nan 8.190 nan 0.000 0.514 299 E N 1.324 121.508 120.200 -0.026 0.000 2.267 299 E HA 0.555 4.905 4.350 0.000 0.000 0.258 299 E C 0.480 177.061 176.600 -0.032 0.000 1.074 299 E CA -0.713 55.672 56.400 -0.025 0.000 0.915 299 E CB 1.569 31.258 29.700 -0.018 0.000 1.186 299 E HN 0.479 nan 8.360 nan 0.000 0.439 300 R N -0.289 120.194 120.500 -0.028 0.000 3.532 300 R HA -0.050 4.290 4.340 0.000 0.000 0.241 300 R C 1.290 177.575 176.300 -0.024 0.000 0.883 300 R CA 0.804 56.889 56.100 -0.025 0.000 1.154 300 R CB -0.728 29.566 30.300 -0.010 0.000 0.967 300 R HN 0.814 nan 8.270 nan 0.000 0.456 301 G N 0.016 108.809 108.800 -0.012 0.000 2.454 301 G HA2 -0.347 3.613 3.960 0.000 0.000 0.323 301 G HA3 -0.347 3.613 3.960 0.000 0.000 0.323 301 G C -0.019 174.861 174.900 -0.033 0.000 0.933 301 G CA 1.216 46.309 45.100 -0.012 0.000 0.803 301 G HN 0.476 nan 8.290 nan 0.000 0.511 302 Q N -2.103 117.675 119.800 -0.035 0.000 2.298 302 Q HA 0.792 5.132 4.340 0.000 0.000 0.181 302 Q C -0.458 175.518 176.000 -0.039 0.000 1.004 302 Q CA -0.832 54.944 55.803 -0.045 0.000 1.050 302 Q CB 1.964 30.678 28.738 -0.040 0.000 1.254 302 Q HN 0.199 nan 8.270 nan 0.000 0.531 303 V N 0.898 120.789 119.914 -0.037 0.000 2.852 303 V HA 0.280 4.400 4.120 0.000 0.000 0.300 303 V C -1.758 174.332 176.094 -0.006 0.000 1.205 303 V CA -0.550 61.730 62.300 -0.033 0.000 0.940 303 V CB 1.986 33.779 31.823 -0.050 0.000 1.047 303 V HN 0.459 nan 8.190 nan 0.000 0.429 304 L N 5.267 126.506 121.223 0.026 0.000 2.294 304 L HA 0.919 5.259 4.340 0.000 0.000 0.283 304 L C 0.201 177.194 176.870 0.204 0.000 1.015 304 L CA -0.206 54.710 54.840 0.126 0.000 0.831 304 L CB 1.298 43.482 42.059 0.207 0.000 1.217 304 L HN 0.768 nan 8.230 nan 0.000 0.420 305 A N 3.606 126.544 122.820 0.196 0.000 2.486 305 A HA 0.556 4.876 4.320 0.000 0.000 0.277 305 A C -0.800 176.928 177.584 0.239 0.000 1.282 305 A CA -0.776 51.406 52.037 0.242 0.000 0.784 305 A CB 1.299 20.336 19.000 0.062 0.000 1.350 305 A HN 0.614 nan 8.150 nan 0.000 0.454 306 K N 0.400 120.919 120.400 0.197 0.000 2.448 306 K HA 0.212 4.532 4.320 0.000 0.000 0.278 306 K C -2.352 174.286 176.600 0.064 0.000 1.009 306 K CA -1.177 55.182 56.287 0.121 0.000 0.995 306 K CB 0.135 32.697 32.500 0.102 0.000 0.917 306 K HN 0.166 nan 8.250 nan 0.000 0.481 307 P HA -0.054 nan 4.420 nan 0.000 0.252 307 P C -0.081 177.229 177.300 0.017 0.000 1.183 307 P CA 1.081 64.192 63.100 0.018 0.000 0.973 307 P CB 0.137 31.840 31.700 0.005 0.000 0.990 308 G N 1.839 110.648 108.800 0.015 0.000 2.260 308 G HA2 -0.182 3.778 3.960 0.000 0.000 0.179 308 G HA3 -0.182 3.778 3.960 0.000 0.000 0.179 308 G C 0.324 175.236 174.900 0.020 0.000 1.002 308 G CA -0.221 44.888 45.100 0.014 0.000 0.677 308 G HN 0.575 nan 8.290 nan 0.000 0.486 309 S N 0.602 116.318 115.700 0.027 0.000 2.411 309 S HA 0.668 5.138 4.470 0.000 0.000 0.294 309 S C 0.388 174.996 174.600 0.013 0.000 1.115 309 S CA 0.242 58.458 58.200 0.028 0.000 1.071 309 S CB -0.162 63.065 63.200 0.044 0.000 0.967 309 S HN 1.339 nan 8.310 nan 0.000 0.488 310 I N 3.045 123.624 120.570 0.014 0.000 8.970 310 I HA -0.190 3.980 4.170 0.000 0.000 0.126 310 I C 0.066 176.167 176.117 -0.027 0.000 1.865 310 I CA 1.462 62.764 61.300 0.005 0.000 2.038 310 I CB -0.796 37.191 38.000 -0.021 0.000 3.930 310 I HN 0.812 nan 8.210 nan 0.000 0.169 311 T N 3.258 117.772 114.554 -0.066 0.000 2.843 311 T HA 0.795 5.145 4.350 0.000 0.000 0.302 311 T C -3.050 171.364 174.700 -0.477 0.000 1.232 311 T CA -1.666 60.292 62.100 -0.237 0.000 1.009 311 T CB 2.725 71.450 68.868 -0.238 0.000 1.254 311 T HN 0.543 nan 8.240 nan 0.000 0.504 312 P HA 0.301 nan 4.420 nan 0.000 0.271 312 P C -1.148 175.758 177.300 -0.656 0.000 1.220 312 P CA 0.009 62.850 63.100 -0.431 0.000 0.768 312 P CB 0.174 31.715 31.700 -0.265 0.000 0.848 313 H N 1.767 120.741 119.070 -0.160 0.000 3.017 313 H HA 0.152 4.708 4.556 0.000 0.000 0.340 313 H C 1.012 176.246 175.328 -0.157 0.000 1.014 313 H CA -0.280 55.685 56.048 -0.137 0.000 1.341 313 H CB 1.850 31.524 29.762 -0.147 0.000 1.739 313 H HN 0.367 nan 8.280 nan 0.000 0.506 314 T N -0.618 113.956 114.554 0.033 0.000 3.051 314 T HA 0.197 4.547 4.350 0.000 0.000 0.255 314 T C 0.584 175.340 174.700 0.093 0.000 1.085 314 T CA 0.284 62.390 62.100 0.010 0.000 1.109 314 T CB 0.803 69.670 68.868 -0.001 0.000 0.921 314 T HN 0.228 nan 8.240 nan 0.000 0.488 315 K N 1.108 121.596 120.400 0.147 0.000 2.324 315 K HA 0.634 4.954 4.320 0.000 0.000 0.253 315 K C -1.583 175.203 176.600 0.309 0.000 0.932 315 K CA -1.026 55.372 56.287 0.185 0.000 0.799 315 K CB 2.072 34.630 32.500 0.097 0.000 1.154 315 K HN 0.378 nan 8.250 nan 0.000 0.425 316 F N -1.149 118.796 119.950 -0.008 0.000 2.708 316 F HA 0.337 4.864 4.527 0.000 0.000 0.309 316 F C -0.864 174.972 175.800 0.060 0.000 1.120 316 F CA -1.110 56.893 58.000 0.005 0.000 0.978 316 F CB 0.740 39.733 39.000 -0.010 0.000 1.283 316 F HN 0.395 nan 8.300 nan 0.000 0.439 317 E N 1.651 121.840 120.200 -0.018 0.000 2.369 317 E HA 0.756 5.106 4.350 0.000 0.000 0.255 317 E C -0.821 175.749 176.600 -0.049 0.000 1.172 317 E CA -0.592 55.756 56.400 -0.087 0.000 0.932 317 E CB 1.434 31.135 29.700 0.001 0.000 1.040 317 E HN 1.028 nan 8.360 nan 0.000 0.454 318 A N 1.062 123.834 122.820 -0.081 0.000 2.590 318 A HA 0.195 4.515 4.320 0.000 0.000 0.309 318 A C -0.919 176.577 177.584 -0.147 0.000 1.039 318 A CA -0.660 51.383 52.037 0.009 0.000 0.824 318 A CB 1.207 20.373 19.000 0.277 0.000 1.247 318 A HN 0.325 nan 8.150 nan 0.000 0.394 319 S N 1.766 117.396 115.700 -0.117 0.000 2.405 319 S HA 0.525 4.995 4.470 0.000 0.000 0.291 319 S C 0.162 174.660 174.600 -0.171 0.000 1.137 319 S CA -0.176 57.935 58.200 -0.148 0.000 1.061 319 S CB -0.520 62.628 63.200 -0.086 0.000 1.001 319 S HN 1.128 nan 8.310 nan 0.000 0.507 320 V N 5.131 124.916 119.914 -0.215 0.000 3.096 320 V HA 0.475 4.595 4.120 0.000 0.000 0.319 320 V C -0.707 175.410 176.094 0.037 0.000 1.082 320 V CA -0.897 61.332 62.300 -0.118 0.000 1.022 320 V CB 1.455 33.208 31.823 -0.117 0.000 1.103 320 V HN 0.797 nan 8.190 nan 0.000 0.455 321 Y N 1.166 121.441 120.300 -0.041 0.000 2.646 321 Y HA 0.564 5.114 4.550 0.000 0.000 0.334 321 Y C -0.386 175.538 175.900 0.041 0.000 1.004 321 Y CA -1.064 57.030 58.100 -0.010 0.000 1.301 321 Y CB 0.826 39.262 38.460 -0.039 0.000 1.093 321 Y HN 0.350 nan 8.280 nan 0.000 0.530 322 V N 6.927 126.681 119.914 -0.266 0.000 2.509 322 V HA -0.110 4.010 4.120 0.000 0.000 0.297 322 V C 0.362 176.044 176.094 -0.687 0.000 1.014 322 V CA 0.206 62.347 62.300 -0.264 0.000 1.127 322 V CB 0.087 31.912 31.823 0.004 0.000 0.925 322 V HN 0.609 nan 8.190 nan 0.000 0.480 323 L N 6.915 127.818 121.223 -0.535 0.000 2.433 323 L HA 0.211 4.551 4.340 0.000 0.000 0.275 323 L C 0.745 177.474 176.870 -0.235 0.000 1.128 323 L CA 0.621 55.178 54.840 -0.471 0.000 0.875 323 L CB 0.252 42.190 42.059 -0.203 0.000 1.171 323 L HN 0.649 nan 8.230 nan 0.000 0.463 324 K N 3.385 123.681 120.400 -0.173 0.000 2.339 324 K HA -0.113 4.207 4.320 0.000 0.000 0.260 324 K C 1.139 177.723 176.600 -0.027 0.000 0.989 324 K CA 0.442 56.694 56.287 -0.057 0.000 0.888 324 K CB 0.461 32.964 32.500 0.004 0.000 0.983 324 K HN 0.687 nan 8.250 nan 0.000 0.515 325 K N 1.020 121.422 120.400 0.003 0.000 2.217 325 K HA -0.122 4.198 4.320 0.000 0.000 0.202 325 K C 0.781 177.387 176.600 0.010 0.000 1.051 325 K CA 1.417 57.718 56.287 0.025 0.000 0.952 325 K CB 0.220 32.759 32.500 0.067 0.000 0.736 325 K HN 0.438 nan 8.250 nan 0.000 0.453 326 E N 0.807 121.010 120.200 0.005 0.000 2.481 326 E HA -0.048 4.302 4.350 0.000 0.000 0.195 326 E C 0.459 177.049 176.600 -0.017 0.000 1.047 326 E CA 0.631 57.028 56.400 -0.005 0.000 0.867 326 E CB 0.377 30.073 29.700 -0.005 0.000 0.858 326 E HN 0.388 nan 8.360 nan 0.000 0.513 327 E N -0.856 119.340 120.200 -0.007 0.000 2.463 327 E HA 0.218 4.568 4.350 0.000 0.000 0.193 327 E C 0.892 177.491 176.600 -0.001 0.000 1.041 327 E CA 0.323 56.721 56.400 -0.002 0.000 0.879 327 E CB 0.623 30.341 29.700 0.030 0.000 0.997 327 E HN 0.284 nan 8.360 nan 0.000 0.478 328 G N 0.831 109.623 108.800 -0.013 0.000 2.254 328 G HA2 -0.251 3.709 3.960 0.000 0.000 0.225 328 G HA3 -0.251 3.709 3.960 0.000 0.000 0.225 328 G C 0.719 175.593 174.900 -0.044 0.000 1.003 328 G CA -0.251 44.839 45.100 -0.017 0.000 0.622 328 G HN 0.487 nan 8.290 nan 0.000 0.507 329 G N 0.090 108.863 108.800 -0.044 0.000 2.580 329 G HA2 0.476 4.436 3.960 0.000 0.000 0.225 329 G HA3 0.476 4.436 3.960 0.000 0.000 0.225 329 G C 0.350 175.219 174.900 -0.053 0.000 1.521 329 G CA -0.337 44.727 45.100 -0.060 0.000 1.068 329 G HN 0.533 nan 8.290 nan 0.000 0.564 330 R N 0.370 120.848 120.500 -0.037 0.000 2.502 330 R HA 0.058 4.398 4.340 0.000 0.000 0.292 330 R C 0.344 176.710 176.300 0.110 0.000 0.998 330 R CA 0.434 56.550 56.100 0.027 0.000 1.056 330 R CB -0.025 30.266 30.300 -0.015 0.000 0.939 330 R HN 0.885 nan 8.270 nan 0.000 0.411 331 H N -0.210 118.840 119.070 -0.033 0.000 2.488 331 H HA 0.206 4.762 4.556 0.000 0.000 0.294 331 H C 0.469 175.788 175.328 -0.015 0.000 1.088 331 H CA 0.111 56.147 56.048 -0.021 0.000 1.086 331 H CB 0.523 30.277 29.762 -0.014 0.000 1.569 331 H HN 0.729 nan 8.280 nan 0.000 0.548 332 T N -4.433 110.130 114.554 0.015 0.000 3.602 332 T HA 0.498 4.848 4.350 0.000 0.000 0.287 332 T C 1.100 175.785 174.700 -0.025 0.000 0.967 332 T CA 0.292 62.347 62.100 -0.075 0.000 1.111 332 T CB 0.819 69.615 68.868 -0.119 0.000 1.156 332 T HN 0.728 nan 8.240 nan 0.000 0.470 333 G N 1.914 110.711 108.800 -0.006 0.000 2.447 333 G HA2 0.385 4.345 3.960 0.000 0.000 0.220 333 G HA3 0.385 4.345 3.960 0.000 0.000 0.220 333 G C -0.932 173.955 174.900 -0.021 0.000 1.261 333 G CA -0.077 45.044 45.100 0.035 0.000 1.000 333 G HN 1.559 nan 8.290 nan 0.000 0.515 334 F N -2.518 117.133 119.950 -0.498 0.000 3.122 334 F HA 0.859 5.386 4.527 0.000 0.000 0.325 334 F C -1.270 174.145 175.800 -0.643 0.000 1.162 334 F CA -2.396 55.032 58.000 -0.953 0.000 0.876 334 F CB 0.410 38.673 39.000 -1.228 0.000 1.429 334 F HN 1.050 nan 8.300 nan 0.000 0.484 335 F N -0.028 119.861 119.950 -0.103 0.000 2.588 335 F HA 0.692 5.219 4.527 0.000 0.000 0.310 335 F C 0.045 175.852 175.800 0.012 0.000 1.082 335 F CA -1.441 56.477 58.000 -0.136 0.000 0.929 335 F CB 1.188 40.152 39.000 -0.060 0.000 1.254 335 F HN 0.737 nan 8.300 nan 0.000 0.455 336 S N 0.225 115.992 115.700 0.113 0.000 2.642 336 S HA 0.358 4.828 4.470 0.000 0.000 0.308 336 S C 0.923 175.625 174.600 0.169 0.000 1.255 336 S CA 0.340 58.603 58.200 0.105 0.000 1.057 336 S CB 0.116 63.355 63.200 0.064 0.000 0.785 336 S HN 2.168 nan 8.310 nan 0.000 0.500 337 G N 1.478 110.368 108.800 0.150 0.000 2.255 337 G HA2 -0.230 3.730 3.960 0.000 0.000 0.196 337 G HA3 -0.230 3.730 3.960 0.000 0.000 0.196 337 G C -0.120 174.873 174.900 0.154 0.000 0.998 337 G CA -0.108 45.076 45.100 0.141 0.000 0.656 337 G HN 1.045 nan 8.290 nan 0.000 0.490 338 Y N 2.078 122.398 120.300 0.034 0.000 2.459 338 Y HA 0.526 5.076 4.550 0.000 0.000 0.349 338 Y C 0.977 176.837 175.900 -0.066 0.000 1.266 338 Y CA 0.215 58.289 58.100 -0.044 0.000 1.483 338 Y CB 0.445 38.871 38.460 -0.056 0.000 1.362 338 Y HN 0.219 nan 8.280 nan 0.000 0.628 339 R N 4.620 124.697 120.500 -0.705 0.000 2.928 339 R HA 0.223 4.563 4.340 0.000 0.000 0.248 339 R C -2.680 173.219 176.300 -0.669 0.000 1.796 339 R CA -1.406 54.406 56.100 -0.479 0.000 1.477 339 R CB 0.824 30.998 30.300 -0.209 0.000 1.484 339 R HN 0.480 nan 8.270 nan 0.000 0.623 340 P HA 0.150 nan 4.420 nan 0.000 0.329 340 P C -0.786 176.203 177.300 -0.519 0.000 1.319 340 P CA -0.326 62.365 63.100 -0.682 0.000 0.742 340 P CB 0.720 32.049 31.700 -0.617 0.000 1.564 341 Q N -1.244 118.273 119.800 -0.471 0.000 2.310 341 Q HA 0.506 4.846 4.340 0.000 0.000 0.270 341 Q C -1.108 174.710 176.000 -0.303 0.000 1.025 341 Q CA -0.098 55.527 55.803 -0.296 0.000 0.772 341 Q CB 0.978 29.668 28.738 -0.081 0.000 1.253 341 Q HN 0.227 nan 8.270 nan 0.000 0.450 342 F N 1.432 121.387 119.950 0.007 0.000 2.399 342 F HA 0.460 4.987 4.527 0.000 0.000 0.334 342 F C -0.371 175.389 175.800 -0.066 0.000 1.097 342 F CA -0.881 57.110 58.000 -0.014 0.000 1.076 342 F CB 0.749 39.604 39.000 -0.242 0.000 1.162 342 F HN 0.395 nan 8.300 nan 0.000 0.495 343 Y N 2.689 122.996 120.300 0.011 0.000 2.575 343 Y HA 0.418 4.968 4.550 0.000 0.000 0.326 343 Y C -0.966 174.948 175.900 0.023 0.000 0.979 343 Y CA -1.433 56.702 58.100 0.059 0.000 1.286 343 Y CB 0.280 38.767 38.460 0.045 0.000 1.093 343 Y HN 0.360 nan 8.280 nan 0.000 0.501 344 F N 3.515 123.573 119.950 0.180 0.000 2.411 344 F HA 0.443 4.970 4.527 0.000 0.000 0.355 344 F C 1.136 176.999 175.800 0.104 0.000 1.117 344 F CA -0.722 57.364 58.000 0.144 0.000 1.139 344 F CB 0.864 39.879 39.000 0.024 0.000 1.120 344 F HN 0.531 nan 8.300 nan 0.000 0.493 345 R N 0.164 120.823 120.500 0.265 0.000 2.036 345 R HA -0.294 4.046 4.340 0.000 0.000 0.114 345 R C 1.041 177.428 176.300 0.144 0.000 0.935 345 R CA 2.254 58.454 56.100 0.166 0.000 1.706 345 R CB -1.765 28.609 30.300 0.124 0.000 0.434 345 R HN 0.712 nan 8.270 nan 0.000 0.665 346 T N -2.917 111.717 114.554 0.132 0.000 3.332 346 T HA 0.285 4.635 4.350 0.000 0.000 0.304 346 T C 0.031 174.793 174.700 0.103 0.000 0.971 346 T CA 0.003 62.171 62.100 0.113 0.000 0.954 346 T CB 0.816 69.726 68.868 0.070 0.000 1.175 346 T HN 0.308 nan 8.240 nan 0.000 0.519 347 T N 2.938 117.563 114.554 0.118 0.000 2.910 347 T HA 0.624 4.974 4.350 0.000 0.000 0.279 347 T C -1.241 173.432 174.700 -0.046 0.000 0.989 347 T CA -0.555 61.577 62.100 0.053 0.000 0.968 347 T CB 1.387 70.295 68.868 0.067 0.000 1.135 347 T HN 0.524 nan 8.240 nan 0.000 0.562 348 D N -0.102 120.175 120.400 -0.205 0.000 2.318 348 D HA 0.367 5.007 4.640 0.000 0.000 0.233 348 D C -0.852 175.249 176.300 -0.332 0.000 1.348 348 D CA -0.534 53.076 54.000 -0.650 0.000 0.983 348 D CB 0.301 40.638 40.800 -0.772 0.000 1.416 348 D HN 0.414 nan 8.370 nan 0.000 0.558 349 V N -0.253 119.553 119.914 -0.181 0.000 3.113 349 V HA 0.844 4.964 4.120 0.000 0.000 0.316 349 V C 0.103 176.251 176.094 0.091 0.000 1.125 349 V CA -0.799 61.491 62.300 -0.016 0.000 1.026 349 V CB 1.631 33.483 31.823 0.048 0.000 1.080 349 V HN 0.483 nan 8.190 nan 0.000 0.444 350 T N 1.124 115.733 114.554 0.092 0.000 2.779 350 T HA 0.802 5.152 4.350 0.000 0.000 0.280 350 T C 0.129 174.944 174.700 0.192 0.000 0.987 350 T CA -0.013 62.160 62.100 0.123 0.000 0.966 350 T CB 1.226 70.103 68.868 0.014 0.000 0.933 350 T HN 1.349 nan 8.240 nan 0.000 0.442 351 G N 0.905 109.935 108.800 0.384 0.000 2.605 351 G HA2 0.613 4.573 3.960 0.000 0.000 0.296 351 G HA3 0.613 4.573 3.960 0.000 0.000 0.296 351 G C -1.180 173.847 174.900 0.212 0.000 1.304 351 G CA -0.702 44.555 45.100 0.261 0.000 0.941 351 G HN 0.667 nan 8.290 nan 0.000 0.475 352 V N 0.740 120.715 119.914 0.101 0.000 2.406 352 V HA 0.293 4.413 4.120 0.000 0.000 0.272 352 V C 0.155 176.293 176.094 0.072 0.000 1.043 352 V CA -0.579 61.759 62.300 0.065 0.000 0.915 352 V CB 1.304 33.150 31.823 0.039 0.000 0.988 352 V HN 0.466 nan 8.190 nan 0.000 0.466 353 V N 5.111 125.058 119.914 0.055 0.000 2.368 353 V HA 0.251 4.371 4.120 0.000 0.000 0.266 353 V C 0.170 176.257 176.094 -0.012 0.000 1.045 353 V CA -0.310 61.980 62.300 -0.017 0.000 0.899 353 V CB 1.084 32.810 31.823 -0.162 0.000 1.006 353 V HN 0.929 nan 8.190 nan 0.000 0.470 354 Q N 5.159 124.974 119.800 0.025 0.000 2.509 354 Q HA 0.419 4.759 4.340 0.000 0.000 0.236 354 Q C -0.706 175.343 176.000 0.082 0.000 1.073 354 Q CA -0.086 55.747 55.803 0.049 0.000 0.867 354 Q CB 0.773 29.542 28.738 0.052 0.000 1.181 354 Q HN 0.749 nan 8.270 nan 0.000 0.526 355 L N 5.832 127.094 121.223 0.064 0.000 2.513 355 L HA 0.222 4.562 4.340 0.000 0.000 0.272 355 L C -1.866 175.063 176.870 0.098 0.000 1.187 355 L CA -1.614 53.295 54.840 0.116 0.000 0.895 355 L CB 0.435 42.531 42.059 0.062 0.000 1.147 355 L HN 0.487 nan 8.230 nan 0.000 0.483 356 P HA 0.054 nan 4.420 nan 0.000 0.263 356 P C -2.313 175.019 177.300 0.054 0.000 1.195 356 P CA -0.784 62.361 63.100 0.075 0.000 0.762 356 P CB -0.056 31.688 31.700 0.073 0.000 0.799 357 P HA -0.242 nan 4.420 nan 0.000 0.262 357 P C 1.153 178.468 177.300 0.026 0.000 1.118 357 P CA 2.261 65.378 63.100 0.029 0.000 0.754 357 P CB -0.272 31.442 31.700 0.023 0.000 0.706 358 G N 1.407 110.219 108.800 0.019 0.000 2.420 358 G HA2 -0.274 3.686 3.960 0.000 0.000 0.221 358 G HA3 -0.274 3.686 3.960 0.000 0.000 0.221 358 G C 0.120 175.027 174.900 0.012 0.000 1.117 358 G CA -0.066 45.042 45.100 0.013 0.000 0.657 358 G HN 0.801 nan 8.290 nan 0.000 0.512 359 V N 0.643 120.572 119.914 0.026 0.000 2.400 359 V HA 0.603 4.723 4.120 0.000 0.000 0.263 359 V C 0.567 176.658 176.094 -0.005 0.000 1.026 359 V CA 0.734 63.048 62.300 0.024 0.000 1.077 359 V CB 0.161 32.030 31.823 0.077 0.000 1.054 359 V HN 0.628 nan 8.190 nan 0.000 0.477 360 E N 3.579 123.759 120.200 -0.035 0.000 3.892 360 E HA 0.384 4.734 4.350 0.000 0.000 0.327 360 E C 0.332 176.859 176.600 -0.121 0.000 0.690 360 E CA -1.013 55.361 56.400 -0.044 0.000 1.780 360 E CB 0.175 29.863 29.700 -0.021 0.000 2.148 360 E HN 0.607 nan 8.360 nan 0.000 0.465 361 M N 2.725 122.283 119.600 -0.070 0.000 3.324 361 M HA 0.017 4.497 4.480 0.000 0.000 0.233 361 M C -1.292 174.870 176.300 -0.229 0.000 1.662 361 M CA 0.253 55.492 55.300 -0.101 0.000 1.709 361 M CB -0.530 32.076 32.600 0.011 0.000 1.349 361 M HN 0.011 nan 8.290 nan 0.000 0.514 362 V N 6.526 126.163 119.914 -0.461 0.000 2.338 362 V HA 0.144 4.264 4.120 0.000 0.000 0.255 362 V C 0.883 176.756 176.094 -0.369 0.000 1.082 362 V CA -0.226 61.850 62.300 -0.372 0.000 0.951 362 V CB -0.565 31.063 31.823 -0.325 0.000 1.102 362 V HN 0.792 nan 8.190 nan 0.000 0.489 363 M N 5.444 124.945 119.600 -0.165 0.000 2.043 363 M HA 0.236 4.716 4.480 0.000 0.000 0.272 363 M C -1.937 174.360 176.300 -0.005 0.000 1.279 363 M CA -0.977 54.281 55.300 -0.070 0.000 1.109 363 M CB -0.091 32.483 32.600 -0.043 0.000 1.377 363 M HN 0.274 nan 8.290 nan 0.000 0.469 364 P HA 0.079 nan 4.420 nan 0.000 0.275 364 P C 0.341 177.614 177.300 -0.045 0.000 1.270 364 P CA 0.274 63.362 63.100 -0.021 0.000 0.791 364 P CB 0.236 31.927 31.700 -0.015 0.000 1.089 365 G N -1.146 107.589 108.800 -0.108 0.000 2.225 365 G HA2 -0.217 3.743 3.960 0.000 0.000 0.272 365 G HA3 -0.217 3.743 3.960 0.000 0.000 0.272 365 G C -0.284 174.631 174.900 0.024 0.000 0.996 365 G CA 0.295 45.368 45.100 -0.044 0.000 0.710 365 G HN 0.525 nan 8.290 nan 0.000 0.522 366 D N 0.148 120.532 120.400 -0.028 0.000 2.248 366 D HA 0.312 4.952 4.640 0.000 0.000 0.246 366 D C 0.159 176.503 176.300 0.074 0.000 1.027 366 D CA -0.439 53.587 54.000 0.043 0.000 0.853 366 D CB 0.844 41.660 40.800 0.026 0.000 1.243 366 D HN 0.403 nan 8.370 nan 0.000 0.462 367 N N 0.225 119.007 118.700 0.137 0.000 2.487 367 N HA 0.532 5.272 4.740 0.000 0.000 0.292 367 N C -0.308 175.245 175.510 0.072 0.000 1.108 367 N CA -0.646 52.490 53.050 0.144 0.000 0.956 367 N CB 2.096 40.667 38.487 0.140 0.000 1.176 367 N HN 0.105 nan 8.380 nan 0.000 0.484 368 V N -0.053 119.877 119.914 0.027 0.000 3.149 368 V HA 0.603 4.723 4.120 0.000 0.000 0.310 368 V C -0.521 175.496 176.094 -0.129 0.000 1.353 368 V CA -0.654 61.646 62.300 0.000 0.000 1.040 368 V CB 1.967 33.870 31.823 0.133 0.000 1.136 368 V HN 0.697 nan 8.190 nan 0.000 0.477 369 T N 2.142 116.600 114.554 -0.159 0.000 4.009 369 T HA 0.540 4.890 4.350 0.000 0.000 0.323 369 T C -1.050 173.595 174.700 -0.093 0.000 0.760 369 T CA -0.278 61.695 62.100 -0.211 0.000 0.987 369 T CB 0.287 69.108 68.868 -0.080 0.000 1.070 369 T HN 0.652 nan 8.240 nan 0.000 0.471 370 F N -0.616 119.360 119.950 0.044 0.000 2.953 370 F HA 0.973 5.500 4.527 0.000 0.000 0.360 370 F C -0.136 175.641 175.800 -0.037 0.000 1.249 370 F CA -1.298 56.720 58.000 0.030 0.000 1.063 370 F CB 0.413 39.464 39.000 0.084 0.000 1.500 370 F HN 0.165 nan 8.300 nan 0.000 0.517 371 T N 0.597 115.388 114.554 0.396 0.000 2.916 371 T HA 0.707 5.057 4.350 0.000 0.000 0.292 371 T C -1.168 173.559 174.700 0.046 0.000 1.055 371 T CA -0.616 61.525 62.100 0.067 0.000 1.009 371 T CB 2.261 71.135 68.868 0.009 0.000 1.118 371 T HN 0.538 nan 8.240 nan 0.000 0.497 372 V N 1.235 120.980 119.914 -0.282 0.000 2.715 372 V HA 0.586 4.706 4.120 0.000 0.000 0.310 372 V C -0.035 176.023 176.094 -0.060 0.000 1.054 372 V CA -0.709 61.453 62.300 -0.230 0.000 0.928 372 V CB 1.892 33.370 31.823 -0.574 0.000 1.007 372 V HN 0.997 nan 8.190 nan 0.000 0.437 373 E N 2.677 122.867 120.200 -0.017 0.000 4.129 373 E HA 0.381 4.731 4.350 0.000 0.000 0.222 373 E C -0.714 175.894 176.600 0.013 0.000 1.179 373 E CA -0.358 56.056 56.400 0.024 0.000 1.334 373 E CB 0.519 30.236 29.700 0.029 0.000 1.202 373 E HN 0.648 nan 8.360 nan 0.000 0.428 374 L N 2.755 123.969 121.223 -0.014 0.000 2.667 374 L HA -0.110 4.230 4.340 0.000 0.000 0.296 374 L C 1.719 178.584 176.870 -0.009 0.000 1.252 374 L CA 0.526 55.358 54.840 -0.014 0.000 0.891 374 L CB 0.118 42.134 42.059 -0.071 0.000 1.141 374 L HN 0.622 nan 8.230 nan 0.000 0.501 375 I N -0.809 119.763 120.570 0.004 0.000 3.528 375 I HA 0.013 4.183 4.170 0.000 0.000 0.298 375 I C 0.068 176.171 176.117 -0.022 0.000 1.281 375 I CA 0.591 61.887 61.300 -0.006 0.000 1.269 375 I CB -0.465 37.535 38.000 -0.001 0.000 1.013 375 I HN 0.531 nan 8.210 nan 0.000 0.512 376 K N 2.775 123.151 120.400 -0.039 0.000 2.615 376 K HA 0.421 4.741 4.320 0.000 0.000 0.249 376 K C -2.709 173.836 176.600 -0.091 0.000 0.977 376 K CA -1.717 54.535 56.287 -0.058 0.000 0.833 376 K CB 1.855 34.321 32.500 -0.056 0.000 1.208 376 K HN -0.143 nan 8.250 nan 0.000 0.443 377 P HA -0.077 nan 4.420 nan 0.000 0.263 377 P C -0.432 176.765 177.300 -0.172 0.000 1.175 377 P CA -0.135 62.891 63.100 -0.123 0.000 0.761 377 P CB 0.677 32.313 31.700 -0.107 0.000 0.794 378 V N -0.579 119.191 119.914 -0.241 0.000 3.007 378 V HA 0.795 4.915 4.120 0.000 0.000 0.311 378 V C -0.345 175.552 176.094 -0.328 0.000 1.120 378 V CA -1.505 60.608 62.300 -0.313 0.000 0.980 378 V CB 1.758 33.292 31.823 -0.481 0.000 1.033 378 V HN 0.593 nan 8.190 nan 0.000 0.429 379 A N 4.255 126.905 122.820 -0.283 0.000 2.444 379 A HA 0.670 4.990 4.320 0.000 0.000 0.287 379 A C -0.260 177.178 177.584 -0.244 0.000 1.195 379 A CA 0.049 51.956 52.037 -0.217 0.000 0.858 379 A CB -1.013 17.898 19.000 -0.147 0.000 1.117 379 A HN 0.915 nan 8.150 nan 0.000 0.521 380 L N 1.783 122.910 121.223 -0.161 0.000 2.323 380 L HA 0.610 4.950 4.340 0.000 0.000 0.265 380 L C 0.743 177.608 176.870 -0.009 0.000 1.012 380 L CA -0.517 54.230 54.840 -0.156 0.000 0.820 380 L CB 2.112 43.998 42.059 -0.287 0.000 1.334 380 L HN 0.885 nan 8.230 nan 0.000 0.427 381 E N 0.603 120.791 120.200 -0.021 0.000 3.293 381 E HA 0.139 4.489 4.350 0.000 0.000 0.174 381 E C -0.617 175.988 176.600 0.008 0.000 0.958 381 E CA -0.487 55.917 56.400 0.007 0.000 1.352 381 E CB 0.697 30.404 29.700 0.012 0.000 1.066 381 E HN 0.619 nan 8.360 nan 0.000 0.448 382 E N 0.319 120.518 120.200 -0.001 0.000 4.005 382 E HA -0.253 4.097 4.350 0.000 0.000 0.367 382 E C 0.490 177.123 176.600 0.055 0.000 1.259 382 E CA 1.446 57.867 56.400 0.036 0.000 1.228 382 E CB -0.790 28.913 29.700 0.006 0.000 0.621 382 E HN 1.012 nan 8.360 nan 0.000 0.354 383 G N 2.595 111.450 108.800 0.091 0.000 2.140 383 G HA2 -0.210 3.750 3.960 0.000 0.000 0.211 383 G HA3 -0.210 3.750 3.960 0.000 0.000 0.211 383 G C -0.419 174.524 174.900 0.072 0.000 1.013 383 G CA -0.053 45.087 45.100 0.066 0.000 0.705 383 G HN 0.633 nan 8.290 nan 0.000 0.508 384 L N 1.020 122.318 121.223 0.125 0.000 2.307 384 L HA 0.758 5.098 4.340 0.000 0.000 0.284 384 L C 0.757 177.740 176.870 0.188 0.000 1.023 384 L CA -1.288 53.639 54.840 0.146 0.000 0.810 384 L CB 0.810 42.969 42.059 0.168 0.000 1.231 384 L HN 0.238 nan 8.230 nan 0.000 0.423 385 R N 4.703 125.267 120.500 0.107 0.000 2.643 385 R HA 0.547 4.887 4.340 0.000 0.000 0.270 385 R C -0.968 175.416 176.300 0.140 0.000 1.061 385 R CA 0.262 56.379 56.100 0.029 0.000 1.107 385 R CB 0.504 30.803 30.300 -0.002 0.000 0.999 385 R HN 0.711 nan 8.270 nan 0.000 0.460 386 F N -1.731 118.218 119.950 -0.002 0.000 2.773 386 F HA 0.738 5.265 4.527 0.000 0.000 0.314 386 F C -1.740 174.024 175.800 -0.060 0.000 1.160 386 F CA -1.282 56.636 58.000 -0.136 0.000 0.920 386 F CB 1.103 39.754 39.000 -0.583 0.000 1.323 386 F HN 0.537 nan 8.300 nan 0.000 0.457 387 A N 1.084 124.119 122.820 0.358 0.000 2.435 387 A HA 0.900 5.220 4.320 0.000 0.000 0.296 387 A C -1.532 176.263 177.584 0.352 0.000 1.147 387 A CA -1.005 51.185 52.037 0.254 0.000 0.775 387 A CB 1.670 20.720 19.000 0.083 0.000 1.340 387 A HN 0.794 nan 8.150 nan 0.000 0.427 388 I N 1.352 122.031 120.570 0.181 0.000 2.466 388 I HA 0.334 4.504 4.170 0.000 0.000 0.279 388 I C 0.197 176.264 176.117 -0.084 0.000 1.033 388 I CA -0.162 61.135 61.300 -0.005 0.000 1.123 388 I CB 1.395 39.410 38.000 0.025 0.000 1.237 388 I HN 0.689 nan 8.210 nan 0.000 0.460 389 R N 3.707 124.157 120.500 -0.084 0.000 2.719 389 R HA 0.671 5.011 4.340 0.000 0.000 0.233 389 R C -0.404 175.838 176.300 -0.097 0.000 1.257 389 R CA -0.860 55.182 56.100 -0.097 0.000 1.109 389 R CB 1.268 31.477 30.300 -0.152 0.000 1.447 389 R HN 0.391 nan 8.270 nan 0.000 0.537 390 E N -0.444 119.712 120.200 -0.074 0.000 3.664 390 E HA 0.087 4.437 4.350 0.000 0.000 0.378 390 E C -0.974 175.597 176.600 -0.047 0.000 1.032 390 E CA 0.539 56.900 56.400 -0.065 0.000 0.817 390 E CB 0.932 30.600 29.700 -0.053 0.000 1.281 390 E HN 0.764 nan 8.360 nan 0.000 0.488 391 G N 2.708 111.484 108.800 -0.040 0.000 2.272 391 G HA2 -0.036 3.924 3.960 0.000 0.000 0.280 391 G HA3 -0.036 3.924 3.960 0.000 0.000 0.280 391 G C 0.913 175.784 174.900 -0.048 0.000 1.067 391 G CA 1.077 46.154 45.100 -0.037 0.000 0.902 391 G HN 1.681 nan 8.290 nan 0.000 0.500 392 G N -1.037 107.730 108.800 -0.054 0.000 2.198 392 G HA2 0.024 3.984 3.960 0.000 0.000 0.257 392 G HA3 0.024 3.984 3.960 0.000 0.000 0.257 392 G C 0.279 175.132 174.900 -0.078 0.000 1.042 392 G CA 1.365 46.424 45.100 -0.068 0.000 0.791 392 G HN 2.261 nan 8.290 nan 0.000 0.502 393 R N -2.039 118.408 120.500 -0.087 0.000 2.692 393 R HA 0.629 4.969 4.340 0.000 0.000 0.269 393 R C -0.875 175.364 176.300 -0.102 0.000 1.030 393 R CA -0.655 55.393 56.100 -0.087 0.000 0.882 393 R CB 0.350 30.602 30.300 -0.079 0.000 1.250 393 R HN 0.068 nan 8.270 nan 0.000 0.465 394 T N 1.565 116.062 114.554 -0.094 0.000 2.817 394 T HA 0.215 4.565 4.350 0.000 0.000 0.293 394 T C 1.010 175.661 174.700 -0.082 0.000 0.964 394 T CA -0.256 61.785 62.100 -0.098 0.000 1.085 394 T CB 1.585 70.407 68.868 -0.076 0.000 0.921 394 T HN 0.557 nan 8.240 nan 0.000 0.502 395 V N 1.027 120.889 119.914 -0.087 0.000 3.455 395 V HA 0.670 4.790 4.120 0.000 0.000 0.250 395 V C 0.590 176.626 176.094 -0.096 0.000 1.230 395 V CA 1.042 63.286 62.300 -0.094 0.000 1.105 395 V CB 0.001 31.760 31.823 -0.107 0.000 0.850 395 V HN 0.965 nan 8.190 nan 0.000 0.461 396 G N -0.572 108.194 108.800 -0.056 0.000 2.632 396 G HA2 0.702 4.662 3.960 0.000 0.000 0.292 396 G HA3 0.702 4.662 3.960 0.000 0.000 0.292 396 G C -1.389 173.537 174.900 0.044 0.000 1.465 396 G CA -0.254 44.829 45.100 -0.029 0.000 0.824 396 G HN 1.003 nan 8.290 nan 0.000 0.509 397 A N -0.158 122.704 122.820 0.071 0.000 2.291 397 A HA 0.934 5.254 4.320 0.000 0.000 0.311 397 A C 0.356 177.889 177.584 -0.084 0.000 1.224 397 A CA 0.084 52.145 52.037 0.040 0.000 0.821 397 A CB 1.202 20.273 19.000 0.118 0.000 1.172 397 A HN 1.843 nan 8.150 nan 0.000 0.494 398 G N -0.390 108.174 108.800 -0.393 0.000 2.605 398 G HA2 0.639 4.599 3.960 0.000 0.000 0.296 398 G HA3 0.639 4.599 3.960 0.000 0.000 0.296 398 G C -1.508 172.700 174.900 -1.152 0.000 1.304 398 G CA -0.609 44.022 45.100 -0.782 0.000 0.941 398 G HN 1.562 nan 8.290 nan 0.000 0.475 399 V N 1.424 120.930 119.914 -0.681 0.000 2.532 399 V HA 0.426 4.546 4.120 0.000 0.000 0.294 399 V C -0.050 176.061 176.094 0.029 0.000 1.036 399 V CA -0.620 61.491 62.300 -0.314 0.000 0.876 399 V CB 1.311 33.043 31.823 -0.151 0.000 1.012 399 V HN 0.784 nan 8.190 nan 0.000 0.432 400 V N 6.289 126.425 119.914 0.370 0.000 2.780 400 V HA -0.046 4.074 4.120 0.000 0.000 0.301 400 V C 1.539 177.787 176.094 0.256 0.000 1.168 400 V CA 1.750 64.376 62.300 0.542 0.000 1.305 400 V CB 0.502 32.594 31.823 0.449 0.000 0.858 400 V HN 1.079 nan 8.190 nan 0.000 0.502 401 T N 3.642 118.333 114.554 0.229 0.000 3.087 401 T HA 0.168 4.518 4.350 0.000 0.000 0.237 401 T C 0.574 175.329 174.700 0.093 0.000 0.990 401 T CA 0.693 62.857 62.100 0.107 0.000 1.160 401 T CB 0.177 69.076 68.868 0.052 0.000 0.923 401 T HN 0.728 nan 8.240 nan 0.000 0.442 402 K N 0.241 120.711 120.400 0.117 0.000 2.575 402 K HA 0.481 4.801 4.320 0.000 0.000 0.279 402 K C -2.084 174.577 176.600 0.102 0.000 0.969 402 K CA -0.632 55.696 56.287 0.069 0.000 0.868 402 K CB 1.502 34.023 32.500 0.036 0.000 1.457 402 K HN 0.043 nan 8.250 nan 0.000 0.426 403 I N 5.172 125.747 120.570 0.008 0.000 2.330 403 I HA 0.107 4.277 4.170 0.000 0.000 0.289 403 I C 1.288 177.403 176.117 -0.003 0.000 1.001 403 I CA -0.796 60.502 61.300 -0.002 0.000 1.193 403 I CB 1.407 39.231 38.000 -0.294 0.000 1.345 403 I HN 0.614 nan 8.210 nan 0.000 0.461 404 L N 4.835 126.098 121.223 0.066 0.000 2.017 404 L HA -0.025 4.315 4.340 0.000 0.000 0.208 404 L C 0.981 177.880 176.870 0.049 0.000 1.073 404 L CA 1.927 56.797 54.840 0.051 0.000 0.745 404 L CB -0.693 41.402 42.059 0.060 0.000 0.894 404 L HN 0.668 nan 8.230 nan 0.000 0.432 405 E N 0.000 120.245 120.200 0.075 0.000 2.725 405 E HA 0.000 4.350 4.350 0.000 0.000 0.291 405 E CA 0.000 56.459 56.400 0.098 0.000 0.976 405 E CB 0.000 29.745 29.700 0.076 0.000 0.812 405 E HN 0.000 nan 8.360 nan 0.000 0.440