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 6csc_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASSTNLKDVL ASLIPKEQAR IKTFRQQHGN TAVGQITVDM SYGGMRGMKG DATA SEQUENCE LIYETSVLDP DEGIRFRGFS IPECQKLLPK AGGGEEPLPE GLFWLLVTGQ DATA SEQUENCE IPTPEQVSWV SKEWAKRAAL PSHVVTMLDN FPTNLHPMSQ LSAAITALNS DATA SEQUENCE ESNFARAYAE GINRTKYWEF VYEDAMDLIA KLPCVAAKIY RNLYRAGSSI DATA SEQUENCE GAIDSKLDWS HNFTNMLGYT DPQFTELMRL YLTIHSDHEG GNVSAHTSHL DATA SEQUENCE VGSALSDPYL SFAAAMNGLA GPLHGLANQE VLLWLSQLQK DLGADASDEK DATA SEQUENCE LRDYIWNTLN SGRVVPGYGH AVLRKTDPRY TCQREFALKH LPSDPMFKLV DATA SEQUENCE AQLYKIVPNV LLEQGKAKNP WPNVDAHSGV LLQYYGMTEM NYYTVLFGVS DATA SEQUENCE RALGVLAQLI WSRALGFPLE RPKSMSTAGL EKLSAGG 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.615 177.584 0.051 0.000 1.274 1 A CA 0.000 52.057 52.037 0.033 0.000 0.836 1 A CB 0.000 19.023 19.000 0.039 0.000 0.831 2 S N -0.611 115.104 115.700 0.025 0.000 2.564 2 S HA 0.794 5.265 4.470 0.002 0.000 0.274 2 S C -0.594 173.987 174.600 -0.031 0.000 1.124 2 S CA 0.212 58.426 58.200 0.022 0.000 0.869 2 S CB 1.944 65.150 63.200 0.010 0.000 1.105 2 S HN 1.683 nan 8.310 nan 0.000 0.472 3 S N -0.454 115.225 115.700 -0.035 0.000 2.611 3 S HA 0.494 4.965 4.470 0.002 0.000 0.268 3 S C 0.898 175.431 174.600 -0.112 0.000 1.156 3 S CA 0.165 58.316 58.200 -0.082 0.000 0.817 3 S CB 0.690 63.855 63.200 -0.058 0.000 1.122 3 S HN 0.821 nan 8.310 nan 0.000 0.466 4 T N 0.306 114.730 114.554 -0.217 0.000 2.674 4 T HA -0.067 4.284 4.350 0.002 0.000 0.265 4 T C 0.762 175.001 174.700 -0.768 0.000 1.039 4 T CA 1.508 63.347 62.100 -0.434 0.000 1.150 4 T CB -0.922 67.676 68.868 -0.449 0.000 0.864 4 T HN 0.646 nan 8.240 nan 0.000 0.427 5 N N 1.650 119.968 118.700 -0.635 0.000 2.399 5 N HA 0.100 4.841 4.740 0.002 0.000 0.259 5 N C 1.169 176.397 175.510 -0.470 0.000 1.160 5 N CA -0.067 52.516 53.050 -0.778 0.000 0.946 5 N CB 0.617 38.935 38.487 -0.282 0.000 1.156 5 N HN 0.412 nan 8.380 nan 0.000 0.489 6 L N 3.717 124.596 121.223 -0.574 0.000 1.997 6 L HA -0.262 4.079 4.340 0.002 0.000 0.216 6 L C 2.322 179.004 176.870 -0.314 0.000 1.074 6 L CA 1.657 56.254 54.840 -0.404 0.000 0.763 6 L CB -0.151 41.926 42.059 0.030 0.000 0.890 6 L HN 0.627 nan 8.230 nan 0.000 0.434 7 K N -0.304 119.936 120.400 -0.267 0.000 2.044 7 K HA -0.245 4.077 4.320 0.002 0.000 0.210 7 K C 1.685 178.159 176.600 -0.210 0.000 1.049 7 K CA 2.131 58.147 56.287 -0.452 0.000 0.927 7 K CB -0.045 32.142 32.500 -0.522 0.000 0.713 7 K HN 0.400 nan 8.250 nan 0.000 0.443 8 D N -0.045 120.261 120.400 -0.157 0.000 2.097 8 D HA -0.140 4.501 4.640 0.002 0.000 0.197 8 D C 2.034 178.257 176.300 -0.129 0.000 0.984 8 D CA 1.136 55.072 54.000 -0.106 0.000 0.826 8 D CB -0.364 40.384 40.800 -0.086 0.000 0.973 8 D HN 0.038 nan 8.370 nan 0.000 0.460 9 V N 1.537 121.352 119.914 -0.164 0.000 2.252 9 V HA -0.260 3.861 4.120 0.002 0.000 0.249 9 V C 2.755 178.720 176.094 -0.215 0.000 1.056 9 V CA 1.348 63.552 62.300 -0.159 0.000 1.022 9 V CB -0.604 31.118 31.823 -0.168 0.000 0.641 9 V HN 0.172 nan 8.190 nan 0.000 0.445 10 L N -0.206 120.822 121.223 -0.325 0.000 1.989 10 L HA -0.233 4.109 4.340 0.002 0.000 0.211 10 L C 2.761 179.320 176.870 -0.519 0.000 1.071 10 L CA 1.815 56.365 54.840 -0.483 0.000 0.749 10 L CB -0.839 40.806 42.059 -0.690 0.000 0.890 10 L HN 0.380 nan 8.230 nan 0.000 0.431 11 A N 0.047 122.661 122.820 -0.343 0.000 1.915 11 A HA -0.315 4.006 4.320 0.002 0.000 0.220 11 A C 2.457 179.955 177.584 -0.144 0.000 1.198 11 A CA 2.718 54.669 52.037 -0.144 0.000 0.647 11 A CB -0.957 18.088 19.000 0.076 0.000 0.825 11 A HN 0.585 nan 8.150 nan 0.000 0.456 12 S N -0.128 115.502 115.700 -0.117 0.000 2.348 12 S HA -0.142 4.329 4.470 0.002 0.000 0.221 12 S C 1.874 176.428 174.600 -0.077 0.000 1.033 12 S CA 1.421 59.575 58.200 -0.076 0.000 1.010 12 S CB -0.821 62.346 63.200 -0.057 0.000 0.891 12 S HN 0.365 nan 8.310 nan 0.000 0.442 13 L N 1.255 122.423 121.223 -0.091 0.000 2.013 13 L HA -0.125 4.216 4.340 0.002 0.000 0.212 13 L C 2.478 179.356 176.870 0.013 0.000 1.073 13 L CA 1.499 56.328 54.840 -0.019 0.000 0.753 13 L CB -0.579 41.494 42.059 0.023 0.000 0.890 13 L HN 0.280 nan 8.230 nan 0.000 0.432 14 I N -0.552 119.934 120.570 -0.140 0.000 2.091 14 I HA -0.334 3.837 4.170 0.002 0.000 0.240 14 I C -0.542 175.549 176.117 -0.042 0.000 1.046 14 I CA 1.981 63.166 61.300 -0.191 0.000 1.306 14 I CB -1.392 36.246 38.000 -0.603 0.000 1.018 14 I HN 0.260 nan 8.210 nan 0.000 0.404 15 P HA -0.152 nan 4.420 nan 0.000 0.218 15 P C 1.065 178.375 177.300 0.016 0.000 1.149 15 P CA 1.417 64.513 63.100 -0.007 0.000 0.817 15 P CB -0.167 31.530 31.700 -0.006 0.000 0.785 16 K N -0.202 120.207 120.400 0.015 0.000 2.155 16 K HA -0.124 4.198 4.320 0.002 0.000 0.203 16 K C 1.927 178.543 176.600 0.026 0.000 1.052 16 K CA 0.997 57.294 56.287 0.017 0.000 0.948 16 K CB -0.446 32.057 32.500 0.005 0.000 0.728 16 K HN 0.086 nan 8.250 nan 0.000 0.448 17 E N 2.139 122.368 120.200 0.049 0.000 2.031 17 E HA -0.146 4.205 4.350 0.002 0.000 0.193 17 E C 2.112 178.755 176.600 0.071 0.000 0.994 17 E CA 1.445 57.877 56.400 0.053 0.000 0.800 17 E CB -0.097 29.679 29.700 0.127 0.000 0.752 17 E HN 0.261 nan 8.360 nan 0.000 0.447 18 Q N -0.282 119.569 119.800 0.085 0.000 2.112 18 Q HA -0.225 4.116 4.340 0.002 0.000 0.206 18 Q C 2.176 178.223 176.000 0.079 0.000 0.987 18 Q CA 1.606 57.459 55.803 0.085 0.000 0.858 18 Q CB -0.330 28.444 28.738 0.060 0.000 0.905 18 Q HN 0.337 nan 8.270 nan 0.000 0.420 19 A N 1.256 124.112 122.820 0.060 0.000 1.873 19 A HA -0.174 4.147 4.320 0.002 0.000 0.215 19 A C 2.101 179.726 177.584 0.069 0.000 1.186 19 A CA 1.059 53.129 52.037 0.055 0.000 0.616 19 A CB -0.419 18.604 19.000 0.038 0.000 0.823 19 A HN 0.169 nan 8.150 nan 0.000 0.442 20 R N -0.833 119.705 120.500 0.064 0.000 2.088 20 R HA -0.157 4.184 4.340 0.002 0.000 0.232 20 R C 1.976 178.362 176.300 0.143 0.000 1.136 20 R CA 1.854 57.999 56.100 0.074 0.000 0.926 20 R CB -0.652 29.666 30.300 0.030 0.000 0.837 20 R HN 0.464 nan 8.270 nan 0.000 0.429 21 I N 1.674 122.334 120.570 0.149 0.000 2.185 21 I HA -0.342 3.830 4.170 0.002 0.000 0.246 21 I C 2.424 178.659 176.117 0.197 0.000 1.088 21 I CA 1.484 62.919 61.300 0.226 0.000 1.347 21 I CB -0.737 37.390 38.000 0.212 0.000 1.041 21 I HN 0.217 nan 8.210 nan 0.000 0.415 22 K N 0.169 120.651 120.400 0.137 0.000 2.032 22 K HA -0.198 4.123 4.320 0.002 0.000 0.209 22 K C 1.997 178.649 176.600 0.088 0.000 1.048 22 K CA 2.148 58.493 56.287 0.096 0.000 0.927 22 K CB -0.206 32.339 32.500 0.076 0.000 0.712 22 K HN 0.334 nan 8.250 nan 0.000 0.441 23 T N 1.029 115.651 114.554 0.114 0.000 2.857 23 T HA -0.108 4.243 4.350 0.002 0.000 0.266 23 T C 1.378 176.180 174.700 0.171 0.000 1.048 23 T CA 1.024 63.192 62.100 0.113 0.000 1.139 23 T CB -0.361 68.568 68.868 0.102 0.000 0.874 23 T HN 0.271 nan 8.240 nan 0.000 0.455 24 F N 2.620 122.603 119.950 0.055 0.000 2.069 24 F HA -0.051 4.478 4.527 0.003 0.000 0.298 24 F C 2.341 178.201 175.800 0.100 0.000 1.113 24 F CA 1.213 59.261 58.000 0.079 0.000 1.214 24 F CB -0.523 38.504 39.000 0.045 0.000 0.978 24 F HN -0.089 nan 8.300 nan 0.000 0.474 25 R N -0.149 120.218 120.500 -0.222 0.000 2.159 25 R HA -0.220 4.121 4.340 0.002 0.000 0.237 25 R C 2.340 178.537 176.300 -0.172 0.000 1.131 25 R CA 1.558 57.473 56.100 -0.308 0.000 0.982 25 R CB -0.395 29.837 30.300 -0.113 0.000 0.868 25 R HN 0.496 nan 8.270 nan 0.000 0.453 26 Q N 0.132 119.890 119.800 -0.070 0.000 2.046 26 Q HA -0.213 4.129 4.340 0.002 0.000 0.200 26 Q C 1.894 177.850 176.000 -0.073 0.000 0.975 26 Q CA 1.557 57.334 55.803 -0.043 0.000 0.836 26 Q CB 0.165 28.905 28.738 0.003 0.000 0.896 26 Q HN 0.148 nan 8.270 nan 0.000 0.428 27 Q N -0.857 118.910 119.800 -0.054 0.000 2.049 27 Q HA -0.062 4.279 4.340 0.002 0.000 0.198 27 Q C 0.807 176.591 176.000 -0.359 0.000 0.971 27 Q CA 1.415 57.130 55.803 -0.145 0.000 0.833 27 Q CB 0.303 29.033 28.738 -0.013 0.000 0.896 27 Q HN 0.498 nan 8.270 nan 0.000 0.434 28 H N -1.996 116.960 119.070 -0.190 0.000 2.581 28 H HA 0.308 4.865 4.556 0.002 0.000 0.275 28 H C 1.196 176.353 175.328 -0.285 0.000 1.126 28 H CA 0.414 56.326 56.048 -0.226 0.000 1.097 28 H CB 0.609 30.247 29.762 -0.207 0.000 1.626 28 H HN 0.332 nan 8.280 nan 0.000 0.565 29 G N 2.050 110.739 108.800 -0.186 0.000 2.462 29 G HA2 -0.278 3.684 3.960 0.002 0.000 0.220 29 G HA3 -0.278 3.684 3.960 0.002 0.000 0.220 29 G C 1.488 176.333 174.900 -0.092 0.000 1.121 29 G CA 0.776 45.780 45.100 -0.161 0.000 0.758 29 G HN 0.421 nan 8.290 nan 0.000 0.559 30 N N -0.057 118.599 118.700 -0.072 0.000 2.280 30 N HA 0.010 4.751 4.740 0.002 0.000 0.192 30 N C 0.160 175.659 175.510 -0.018 0.000 1.109 30 N CA 0.094 53.117 53.050 -0.045 0.000 0.855 30 N CB -0.434 38.025 38.487 -0.048 0.000 0.974 30 N HN -0.064 nan 8.380 nan 0.000 0.482 31 T N 1.701 116.261 114.554 0.010 0.000 2.751 31 T HA 0.366 4.717 4.350 0.002 0.000 0.290 31 T C 0.325 175.051 174.700 0.044 0.000 0.919 31 T CA -0.360 61.784 62.100 0.073 0.000 1.136 31 T CB 0.287 69.312 68.868 0.261 0.000 0.875 31 T HN 0.378 nan 8.240 nan 0.000 0.532 32 A N 3.454 126.291 122.820 0.029 0.000 2.522 32 A HA 0.267 4.589 4.320 0.002 0.000 0.256 32 A C 1.501 179.095 177.584 0.017 0.000 1.086 32 A CA -0.421 51.625 52.037 0.014 0.000 0.763 32 A CB -0.053 18.952 19.000 0.008 0.000 1.024 32 A HN 0.964 nan 8.150 nan 0.000 0.502 33 V N 1.024 120.942 119.914 0.007 0.000 3.660 33 V HA 0.618 4.739 4.120 0.002 0.000 0.276 33 V C 0.735 176.827 176.094 -0.005 0.000 1.317 33 V CA 0.792 63.094 62.300 0.004 0.000 1.097 33 V CB -0.779 31.047 31.823 0.005 0.000 0.863 33 V HN 1.767 nan 8.190 nan 0.000 0.438 34 G N 0.262 109.058 108.800 -0.006 0.000 2.328 34 G HA2 0.351 4.313 3.960 0.002 0.000 0.295 34 G HA3 0.351 4.313 3.960 0.002 0.000 0.295 34 G C -0.571 174.324 174.900 -0.009 0.000 1.413 34 G CA -0.167 44.928 45.100 -0.009 0.000 0.817 34 G HN 0.479 nan 8.290 nan 0.000 0.546 35 Q N -0.524 119.271 119.800 -0.008 0.000 3.429 35 Q HA 0.260 4.601 4.340 0.002 0.000 0.195 35 Q C 0.115 176.110 176.000 -0.008 0.000 1.219 35 Q CA 0.721 56.520 55.803 -0.006 0.000 1.349 35 Q CB 0.248 28.982 28.738 -0.007 0.000 1.461 35 Q HN 1.228 nan 8.270 nan 0.000 0.734 36 I N -0.211 120.355 120.570 -0.005 0.000 2.655 36 I HA -0.017 4.155 4.170 0.002 0.000 0.258 36 I C -0.691 175.427 176.117 0.002 0.000 1.462 36 I CA -0.103 61.193 61.300 -0.006 0.000 1.412 36 I CB 0.398 38.391 38.000 -0.012 0.000 1.753 36 I HN 0.873 nan 8.210 nan 0.000 0.378 37 T N 0.102 114.662 114.554 0.009 0.000 2.938 37 T HA 0.612 4.963 4.350 0.002 0.000 0.285 37 T C 1.103 175.827 174.700 0.040 0.000 1.028 37 T CA -0.645 61.468 62.100 0.022 0.000 1.005 37 T CB 2.434 71.316 68.868 0.024 0.000 1.157 37 T HN 0.081 nan 8.240 nan 0.000 0.550 38 V N 0.967 120.919 119.914 0.063 0.000 2.392 38 V HA -0.136 3.985 4.120 0.002 0.000 0.249 38 V C 2.451 178.658 176.094 0.188 0.000 1.059 38 V CA 2.055 64.430 62.300 0.124 0.000 1.051 38 V CB -0.855 31.054 31.823 0.142 0.000 0.658 38 V HN 0.866 nan 8.190 nan 0.000 0.455 39 D N -0.142 120.332 120.400 0.123 0.000 2.144 39 D HA -0.128 4.514 4.640 0.002 0.000 0.199 39 D C 2.195 178.557 176.300 0.103 0.000 0.984 39 D CA 1.389 55.459 54.000 0.117 0.000 0.834 39 D CB -0.197 40.638 40.800 0.057 0.000 0.955 39 D HN 0.412 nan 8.370 nan 0.000 0.465 40 M N -0.283 119.353 119.600 0.060 0.000 2.229 40 M HA -0.084 4.397 4.480 0.002 0.000 0.264 40 M C 2.364 178.674 176.300 0.018 0.000 1.063 40 M CA 0.731 56.049 55.300 0.030 0.000 1.114 40 M CB -0.100 32.504 32.600 0.007 0.000 1.387 40 M HN -0.184 nan 8.290 nan 0.000 0.420 41 S N -0.476 115.227 115.700 0.004 0.000 2.355 41 S HA -0.111 4.360 4.470 0.002 0.000 0.222 41 S C 1.709 176.242 174.600 -0.113 0.000 1.031 41 S CA 1.269 59.420 58.200 -0.081 0.000 0.993 41 S CB -0.220 62.891 63.200 -0.148 0.000 0.859 41 S HN 0.421 nan 8.310 nan 0.000 0.453 42 Y N 0.813 121.110 120.300 -0.006 0.000 2.395 42 Y HA 0.166 4.717 4.550 0.003 0.000 0.293 42 Y C 2.291 178.186 175.900 -0.008 0.000 1.123 42 Y CA 0.605 58.701 58.100 -0.006 0.000 1.227 42 Y CB -0.370 38.087 38.460 -0.005 0.000 1.012 42 Y HN 0.329 nan 8.280 nan 0.000 0.552 43 G N -0.834 108.052 108.800 0.142 0.000 3.327 43 G HA2 0.303 4.264 3.960 0.002 0.000 0.240 43 G HA3 0.303 4.264 3.960 0.002 0.000 0.240 43 G C 1.165 176.083 174.900 0.031 0.000 1.222 43 G CA 0.205 45.349 45.100 0.073 0.000 0.871 43 G HN 0.493 nan 8.290 nan 0.000 0.525 44 G N 0.473 109.285 108.800 0.021 0.000 2.273 44 G HA2 -0.294 3.667 3.960 0.002 0.000 0.280 44 G HA3 -0.294 3.667 3.960 0.002 0.000 0.280 44 G C 0.847 175.737 174.900 -0.016 0.000 1.047 44 G CA 0.300 45.399 45.100 -0.002 0.000 0.869 44 G HN 0.971 nan 8.290 nan 0.000 0.502 45 M N -3.121 116.469 119.600 -0.017 0.000 2.818 45 M HA -0.177 4.304 4.480 0.002 0.000 0.194 45 M C 0.946 177.225 176.300 -0.035 0.000 0.586 45 M CA 1.285 56.567 55.300 -0.030 0.000 0.664 45 M CB -0.834 31.739 32.600 -0.044 0.000 2.418 45 M HN 0.376 nan 8.290 nan 0.000 0.517 46 R N 1.279 121.766 120.500 -0.021 0.000 2.473 46 R HA 0.319 4.660 4.340 0.002 0.000 0.315 46 R C 1.324 177.613 176.300 -0.018 0.000 0.972 46 R CA 1.661 57.749 56.100 -0.020 0.000 1.047 46 R CB -0.110 30.185 30.300 -0.009 0.000 0.932 46 R HN 0.543 nan 8.270 nan 0.000 0.411 47 G N 2.759 111.543 108.800 -0.027 0.000 2.179 47 G HA2 -0.295 3.666 3.960 0.002 0.000 0.260 47 G HA3 -0.295 3.666 3.960 0.002 0.000 0.260 47 G C -0.000 174.880 174.900 -0.033 0.000 0.977 47 G CA 0.337 45.422 45.100 -0.025 0.000 0.641 47 G HN 0.514 nan 8.290 nan 0.000 0.533 48 M N 1.207 120.782 119.600 -0.043 0.000 2.157 48 M HA 0.430 4.911 4.480 0.002 0.000 0.354 48 M C 0.377 176.638 176.300 -0.065 0.000 1.170 48 M CA -0.479 54.793 55.300 -0.047 0.000 1.060 48 M CB 1.310 33.883 32.600 -0.045 0.000 1.615 48 M HN 0.246 nan 8.290 nan 0.000 0.460 49 K N 1.608 121.973 120.400 -0.059 0.000 2.264 49 K HA 0.586 4.907 4.320 0.002 0.000 0.277 49 K C 0.008 176.565 176.600 -0.073 0.000 1.067 49 K CA -0.527 55.717 56.287 -0.072 0.000 0.900 49 K CB 0.798 33.262 32.500 -0.060 0.000 1.124 49 K HN 0.971 nan 8.250 nan 0.000 0.469 50 G N 4.440 113.181 108.800 -0.098 0.000 4.988 50 G HA2 0.280 4.241 3.960 0.002 0.000 0.227 50 G HA3 0.280 4.241 3.960 0.002 0.000 0.227 50 G C -1.227 173.605 174.900 -0.113 0.000 0.955 50 G CA -0.303 44.744 45.100 -0.088 0.000 0.784 50 G HN 0.573 nan 8.290 nan 0.000 0.537 51 L N 0.789 121.934 121.223 -0.130 0.000 2.549 51 L HA 0.524 4.866 4.340 0.002 0.000 0.259 51 L C -1.312 175.495 176.870 -0.105 0.000 0.934 51 L CA -1.015 53.729 54.840 -0.160 0.000 0.865 51 L CB 2.410 44.307 42.059 -0.270 0.000 1.352 51 L HN -0.085 nan 8.230 nan 0.000 0.410 52 I N 3.869 124.387 120.570 -0.087 0.000 2.336 52 I HA 0.284 4.455 4.170 0.002 0.000 0.292 52 I C -1.160 175.095 176.117 0.231 0.000 0.991 52 I CA -0.326 60.988 61.300 0.022 0.000 1.227 52 I CB 1.197 39.173 38.000 -0.040 0.000 1.366 52 I HN 0.513 nan 8.210 nan 0.000 0.466 53 Y N 5.819 126.157 120.300 0.063 0.000 2.315 53 Y HA 0.266 4.817 4.550 0.002 0.000 0.324 53 Y C 0.963 176.905 175.900 0.069 0.000 1.062 53 Y CA -0.434 57.733 58.100 0.112 0.000 1.159 53 Y CB 1.450 39.926 38.460 0.026 0.000 1.145 53 Y HN 0.561 nan 8.280 nan 0.000 0.442 54 E N 1.186 121.326 120.200 -0.100 0.000 2.170 54 E HA -0.102 4.249 4.350 0.002 0.000 0.191 54 E C 1.860 178.360 176.600 -0.166 0.000 0.981 54 E CA 1.522 57.829 56.400 -0.155 0.000 0.830 54 E CB -0.066 29.454 29.700 -0.299 0.000 0.775 54 E HN 0.868 nan 8.360 nan 0.000 0.470 55 T N -0.220 114.201 114.554 -0.222 0.000 2.746 55 T HA -0.092 4.259 4.350 0.002 0.000 0.267 55 T C 1.292 176.070 174.700 0.129 0.000 1.039 55 T CA 1.158 63.223 62.100 -0.059 0.000 1.142 55 T CB -0.122 68.713 68.868 -0.056 0.000 0.866 55 T HN 0.109 nan 8.240 nan 0.000 0.444 56 S N -0.608 115.233 115.700 0.234 0.000 2.588 56 S HA 0.720 5.191 4.470 0.002 0.000 0.275 56 S C -1.355 173.311 174.600 0.110 0.000 1.130 56 S CA -1.022 57.281 58.200 0.173 0.000 0.855 56 S CB 2.504 65.811 63.200 0.179 0.000 1.116 56 S HN 0.275 nan 8.310 nan 0.000 0.472 57 V N 1.712 121.606 119.914 -0.034 0.000 2.623 57 V HA 0.480 4.602 4.120 0.002 0.000 0.304 57 V C -0.879 175.116 176.094 -0.165 0.000 1.054 57 V CA -0.661 61.591 62.300 -0.081 0.000 0.882 57 V CB 1.762 33.542 31.823 -0.071 0.000 1.002 57 V HN 0.921 nan 8.190 nan 0.000 0.424 58 L N 4.084 125.186 121.223 -0.201 0.000 2.272 58 L HA 0.540 4.881 4.340 0.002 0.000 0.289 58 L C -0.490 176.276 176.870 -0.173 0.000 1.032 58 L CA -0.153 54.533 54.840 -0.257 0.000 0.810 58 L CB 1.328 43.166 42.059 -0.368 0.000 1.205 58 L HN 0.772 nan 8.230 nan 0.000 0.422 59 D N 7.304 127.613 120.400 -0.152 0.000 2.317 59 D HA 0.206 4.847 4.640 0.002 0.000 0.234 59 D C -1.805 174.432 176.300 -0.105 0.000 1.112 59 D CA -1.838 52.094 54.000 -0.112 0.000 0.840 59 D CB 2.110 42.851 40.800 -0.098 0.000 1.078 59 D HN 0.307 nan 8.370 nan 0.000 0.486 60 P HA -0.103 nan 4.420 nan 0.000 0.220 60 P C 0.464 177.729 177.300 -0.059 0.000 1.144 60 P CA 0.977 64.040 63.100 -0.061 0.000 0.800 60 P CB 0.567 32.248 31.700 -0.031 0.000 0.772 61 D N -1.298 119.063 120.400 -0.065 0.000 2.423 61 D HA 0.024 4.666 4.640 0.002 0.000 0.212 61 D C 1.509 177.761 176.300 -0.081 0.000 1.060 61 D CA 0.503 54.463 54.000 -0.067 0.000 0.872 61 D CB 0.520 41.287 40.800 -0.055 0.000 1.012 61 D HN 0.192 nan 8.370 nan 0.000 0.503 62 E N -0.338 119.812 120.200 -0.083 0.000 2.421 62 E HA 0.343 4.694 4.350 0.002 0.000 0.209 62 E C 0.629 177.177 176.600 -0.087 0.000 0.871 62 E CA 0.248 56.599 56.400 -0.081 0.000 1.064 62 E CB 1.682 31.339 29.700 -0.072 0.000 1.075 62 E HN 0.188 nan 8.360 nan 0.000 0.513 63 G N 0.548 109.286 108.800 -0.104 0.000 2.422 63 G HA2 -0.172 3.789 3.960 0.002 0.000 0.607 63 G HA3 -0.172 3.789 3.960 0.002 0.000 0.607 63 G C -1.099 173.710 174.900 -0.152 0.000 1.270 63 G CA -0.565 44.470 45.100 -0.109 0.000 0.992 63 G HN 0.115 nan 8.290 nan 0.000 0.499 64 I N 0.669 121.139 120.570 -0.167 0.000 2.634 64 I HA 0.590 4.761 4.170 0.002 0.000 0.284 64 I C 0.474 176.384 176.117 -0.345 0.000 1.124 64 I CA -0.545 60.574 61.300 -0.303 0.000 1.417 64 I CB 0.603 38.391 38.000 -0.353 0.000 1.396 64 I HN 0.521 nan 8.210 nan 0.000 0.571 65 R N 6.570 126.876 120.500 -0.324 0.000 2.393 65 R HA 0.284 4.625 4.340 0.002 0.000 0.315 65 R C 0.062 176.233 176.300 -0.214 0.000 0.952 65 R CA -0.414 55.555 56.100 -0.219 0.000 0.842 65 R CB 0.994 31.215 30.300 -0.130 0.000 1.163 65 R HN 0.585 nan 8.270 nan 0.000 0.450 66 F N 1.743 121.763 119.950 0.115 0.000 1.990 66 F HA 0.050 4.578 4.527 0.002 0.000 0.293 66 F C 1.683 177.547 175.800 0.107 0.000 1.244 66 F CA 1.010 59.096 58.000 0.142 0.000 1.153 66 F CB 0.016 39.121 39.000 0.176 0.000 0.975 66 F HN 0.112 nan 8.300 nan 0.000 0.492 67 R N 0.242 120.960 120.500 0.363 0.000 3.585 67 R HA 0.317 4.658 4.340 0.002 0.000 0.324 67 R C 0.211 176.454 176.300 -0.095 0.000 1.372 67 R CA 0.520 56.699 56.100 0.133 0.000 1.291 67 R CB 0.123 30.495 30.300 0.120 0.000 1.470 67 R HN 0.756 nan 8.270 nan 0.000 0.633 68 G N 0.227 108.937 108.800 -0.150 0.000 2.184 68 G HA2 -0.239 3.723 3.960 0.002 0.000 0.206 68 G HA3 -0.239 3.723 3.960 0.002 0.000 0.206 68 G C -0.152 174.504 174.900 -0.407 0.000 0.995 68 G CA -0.626 44.271 45.100 -0.339 0.000 0.651 68 G HN 0.245 nan 8.290 nan 0.000 0.511 69 F N 2.276 122.262 119.950 0.060 0.000 2.425 69 F HA 0.700 5.228 4.527 0.002 0.000 0.331 69 F C 1.006 176.862 175.800 0.093 0.000 1.085 69 F CA -0.362 57.689 58.000 0.084 0.000 1.028 69 F CB 1.862 40.937 39.000 0.126 0.000 1.177 69 F HN 0.231 nan 8.300 nan 0.000 0.487 70 S N 2.315 118.184 115.700 0.281 0.000 2.672 70 S HA 0.461 4.932 4.470 0.002 0.000 0.276 70 S C 1.173 175.915 174.600 0.236 0.000 1.207 70 S CA -0.749 57.554 58.200 0.172 0.000 1.002 70 S CB 0.862 64.114 63.200 0.088 0.000 0.998 70 S HN 0.627 nan 8.310 nan 0.000 0.542 71 I N 1.453 122.140 120.570 0.194 0.000 2.087 71 I HA -0.123 4.048 4.170 0.002 0.000 0.240 71 I C -0.643 175.552 176.117 0.130 0.000 1.054 71 I CA 1.476 62.901 61.300 0.209 0.000 1.311 71 I CB -1.562 36.528 38.000 0.149 0.000 1.024 71 I HN 0.542 nan 8.210 nan 0.000 0.402 72 P HA -0.174 nan 4.420 nan 0.000 0.216 72 P C 1.332 178.671 177.300 0.066 0.000 1.150 72 P CA 1.584 64.722 63.100 0.062 0.000 0.837 72 P CB -0.094 31.635 31.700 0.047 0.000 0.786 73 E N -0.986 119.275 120.200 0.101 0.000 2.047 73 E HA -0.146 4.205 4.350 0.002 0.000 0.191 73 E C 2.114 178.727 176.600 0.021 0.000 0.987 73 E CA 1.215 57.677 56.400 0.104 0.000 0.799 73 E CB -0.604 29.242 29.700 0.243 0.000 0.752 73 E HN 0.186 nan 8.360 nan 0.000 0.449 74 C N 0.918 120.254 119.300 0.060 0.000 2.425 74 C HA -0.114 4.348 4.460 0.002 0.000 0.277 74 C C 2.645 177.621 174.990 -0.024 0.000 1.280 74 C CA 0.422 59.429 59.018 -0.018 0.000 1.744 74 C CB -0.694 27.090 27.740 0.073 0.000 1.989 74 C HN 0.468 nan 8.230 nan 0.000 0.491 75 Q N 0.914 120.726 119.800 0.019 0.000 2.181 75 Q HA -0.212 4.129 4.340 0.002 0.000 0.205 75 Q C 2.241 178.240 176.000 -0.002 0.000 0.980 75 Q CA 1.703 57.515 55.803 0.016 0.000 0.862 75 Q CB 0.006 28.764 28.738 0.033 0.000 0.905 75 Q HN 0.810 nan 8.270 nan 0.000 0.429 76 K N -1.493 118.899 120.400 -0.013 0.000 2.214 76 K HA 0.007 4.328 4.320 0.002 0.000 0.201 76 K C 1.985 178.556 176.600 -0.049 0.000 1.049 76 K CA 0.043 56.318 56.287 -0.021 0.000 0.978 76 K CB -0.179 32.316 32.500 -0.009 0.000 0.842 76 K HN -0.054 nan 8.250 nan 0.000 0.474 77 L N 1.555 122.725 121.223 -0.088 0.000 2.056 77 L HA 0.025 4.366 4.340 0.002 0.000 0.207 77 L C 0.756 177.550 176.870 -0.126 0.000 1.078 77 L CA 1.135 55.893 54.840 -0.136 0.000 0.749 77 L CB -0.745 41.151 42.059 -0.270 0.000 0.901 77 L HN 0.144 nan 8.230 nan 0.000 0.433 78 L N 0.370 121.523 121.223 -0.116 0.000 2.485 78 L HA 0.130 4.471 4.340 0.002 0.000 0.275 78 L C -1.886 174.948 176.870 -0.060 0.000 1.207 78 L CA -1.402 53.384 54.840 -0.089 0.000 0.855 78 L CB -0.817 41.200 42.059 -0.071 0.000 1.114 78 L HN -0.037 nan 8.230 nan 0.000 0.485 79 P HA 0.183 nan 4.420 nan 0.000 0.271 79 P C -0.960 176.328 177.300 -0.020 0.000 1.218 79 P CA -0.268 62.805 63.100 -0.045 0.000 0.780 79 P CB 0.612 32.275 31.700 -0.063 0.000 0.901 80 K N 0.906 121.298 120.400 -0.012 0.000 2.295 80 K HA 0.712 5.034 4.320 0.002 0.000 0.239 80 K C -0.191 176.415 176.600 0.010 0.000 0.991 80 K CA -1.064 55.225 56.287 0.003 0.000 0.845 80 K CB 1.347 33.850 32.500 0.004 0.000 1.197 80 K HN 0.422 nan 8.250 nan 0.000 0.441 81 A N 0.546 123.377 122.820 0.019 0.000 2.466 81 A HA 0.337 4.658 4.320 0.002 0.000 0.238 81 A C 0.739 178.334 177.584 0.020 0.000 1.074 81 A CA 0.378 52.431 52.037 0.027 0.000 0.774 81 A CB -0.417 18.599 19.000 0.028 0.000 1.015 81 A HN 0.714 nan 8.150 nan 0.000 0.498 82 G N 0.151 108.967 108.800 0.026 0.000 2.298 82 G HA2 0.496 4.457 3.960 0.002 0.000 0.284 82 G HA3 0.496 4.457 3.960 0.002 0.000 0.284 82 G C 1.098 176.008 174.900 0.018 0.000 1.013 82 G CA 0.669 45.781 45.100 0.020 0.000 1.365 82 G HN 2.327 nan 8.290 nan 0.000 0.415 83 G N 0.872 109.679 108.800 0.011 0.000 2.138 83 G HA2 0.129 4.090 3.960 0.002 0.000 0.193 83 G HA3 0.129 4.090 3.960 0.002 0.000 0.193 83 G C 0.645 175.549 174.900 0.007 0.000 0.998 83 G CA 0.137 45.243 45.100 0.009 0.000 0.668 83 G HN 1.398 nan 8.290 nan 0.000 0.516 84 G N -1.344 107.460 108.800 0.007 0.000 2.705 84 G HA2 0.685 4.646 3.960 0.002 0.000 0.299 84 G HA3 0.685 4.646 3.960 0.002 0.000 0.299 84 G C 0.365 175.274 174.900 0.016 0.000 1.315 84 G CA 0.313 45.417 45.100 0.007 0.000 1.045 84 G HN 0.136 nan 8.290 nan 0.000 0.517 85 E N -0.943 119.274 120.200 0.028 0.000 2.467 85 E HA 0.049 4.400 4.350 0.002 0.000 0.213 85 E C -0.226 176.401 176.600 0.045 0.000 0.823 85 E CA -0.015 56.407 56.400 0.037 0.000 1.233 85 E CB 0.732 30.467 29.700 0.058 0.000 1.233 85 E HN 0.420 nan 8.360 nan 0.000 0.585 86 E N 2.948 123.179 120.200 0.052 0.000 2.283 86 E HA 0.237 4.589 4.350 0.002 0.000 0.278 86 E C -2.363 174.255 176.600 0.029 0.000 1.027 86 E CA -2.510 53.920 56.400 0.051 0.000 0.843 86 E CB 0.508 30.245 29.700 0.063 0.000 1.062 86 E HN -0.009 nan 8.360 nan 0.000 0.401 87 P HA 0.085 nan 4.420 nan 0.000 0.269 87 P C -0.292 177.029 177.300 0.035 0.000 1.209 87 P CA -0.018 63.091 63.100 0.016 0.000 0.776 87 P CB 0.496 32.197 31.700 0.002 0.000 0.876 88 L N 4.811 126.061 121.223 0.044 0.000 2.312 88 L HA 0.303 4.645 4.340 0.002 0.000 0.281 88 L C -1.163 175.775 176.870 0.114 0.000 1.070 88 L CA -1.945 52.947 54.840 0.087 0.000 0.805 88 L CB 0.790 42.901 42.059 0.086 0.000 1.174 88 L HN 0.227 nan 8.230 nan 0.000 0.434 89 P HA -0.165 nan 4.420 nan 0.000 0.217 89 P C 0.984 178.416 177.300 0.220 0.000 1.148 89 P CA 1.105 64.341 63.100 0.226 0.000 0.828 89 P CB 0.342 32.265 31.700 0.372 0.000 0.783 90 E N -0.375 119.927 120.200 0.170 0.000 2.085 90 E HA -0.129 4.222 4.350 0.002 0.000 0.194 90 E C 2.350 179.026 176.600 0.128 0.000 0.994 90 E CA 1.721 58.121 56.400 0.000 0.000 0.801 90 E CB -1.282 28.330 29.700 -0.147 0.000 0.743 90 E HN 0.253 nan 8.360 nan 0.000 0.453 91 G N 0.745 109.606 108.800 0.101 0.000 2.418 91 G HA2 -0.255 3.707 3.960 0.002 0.000 0.217 91 G HA3 -0.255 3.707 3.960 0.002 0.000 0.217 91 G C 1.576 176.570 174.900 0.157 0.000 1.158 91 G CA 0.786 45.947 45.100 0.101 0.000 0.771 91 G HN 0.235 nan 8.290 nan 0.000 0.545 92 L N -0.470 120.821 121.223 0.113 0.000 2.042 92 L HA 0.046 4.387 4.340 0.002 0.000 0.210 92 L C 2.479 179.447 176.870 0.164 0.000 1.076 92 L CA 1.778 56.656 54.840 0.063 0.000 0.749 92 L CB -0.427 41.592 42.059 -0.067 0.000 0.893 92 L HN 0.214 nan 8.230 nan 0.000 0.432 93 F N -0.862 119.150 119.950 0.103 0.000 2.134 93 F HA -0.271 4.258 4.527 0.002 0.000 0.299 93 F C 2.190 178.081 175.800 0.152 0.000 1.097 93 F CA 1.876 59.960 58.000 0.141 0.000 1.264 93 F CB -0.594 38.537 39.000 0.217 0.000 1.001 93 F HN 0.344 nan 8.300 nan 0.000 0.479 94 W N 1.014 122.350 121.300 0.061 0.000 2.355 94 W HA -0.237 4.424 4.660 0.003 0.000 0.309 94 W C 2.160 178.641 176.519 -0.063 0.000 1.206 94 W CA 1.783 59.108 57.345 -0.034 0.000 1.284 94 W CB -0.956 28.528 29.460 0.040 0.000 1.145 94 W HN 0.225 nan 8.180 nan 0.000 0.502 95 L N 1.081 122.455 121.223 0.251 0.000 2.012 95 L HA -0.218 4.124 4.340 0.002 0.000 0.210 95 L C 2.363 179.278 176.870 0.075 0.000 1.073 95 L CA 1.867 56.818 54.840 0.184 0.000 0.748 95 L CB -1.447 40.702 42.059 0.150 0.000 0.891 95 L HN -0.061 nan 8.230 nan 0.000 0.431 96 L N -1.222 120.015 121.223 0.022 0.000 2.046 96 L HA -0.147 4.195 4.340 0.002 0.000 0.208 96 L C 2.468 179.284 176.870 -0.091 0.000 1.077 96 L CA 1.547 56.386 54.840 -0.001 0.000 0.747 96 L CB -0.818 41.252 42.059 0.018 0.000 0.896 96 L HN 0.139 nan 8.230 nan 0.000 0.432 97 V N -0.973 118.803 119.914 -0.229 0.000 2.255 97 V HA -0.241 3.881 4.120 0.002 0.000 0.243 97 V C 2.536 178.608 176.094 -0.036 0.000 1.038 97 V CA 2.096 64.284 62.300 -0.186 0.000 1.008 97 V CB -0.813 30.682 31.823 -0.547 0.000 0.645 97 V HN 0.686 nan 8.190 nan 0.000 0.449 98 T N -2.595 111.824 114.554 -0.225 0.000 3.054 98 T HA 0.196 4.547 4.350 0.002 0.000 0.259 98 T C 1.598 176.272 174.700 -0.043 0.000 1.092 98 T CA 1.184 63.194 62.100 -0.151 0.000 1.121 98 T CB 0.426 69.119 68.868 -0.292 0.000 0.912 98 T HN 1.074 nan 8.240 nan 0.000 0.489 99 G N 1.045 109.833 108.800 -0.020 0.000 2.162 99 G HA2 -0.218 3.744 3.960 0.002 0.000 0.260 99 G HA3 -0.218 3.744 3.960 0.002 0.000 0.260 99 G C -0.228 174.746 174.900 0.123 0.000 0.976 99 G CA 0.357 45.465 45.100 0.014 0.000 0.655 99 G HN 0.759 nan 8.290 nan 0.000 0.533 100 Q N -0.577 119.328 119.800 0.175 0.000 2.413 100 Q HA 0.631 4.972 4.340 0.002 0.000 0.276 100 Q C -0.212 175.946 176.000 0.263 0.000 1.099 100 Q CA -1.113 54.827 55.803 0.229 0.000 0.814 100 Q CB 2.507 31.370 28.738 0.207 0.000 1.379 100 Q HN 0.231 nan 8.270 nan 0.000 0.436 101 I N 3.679 124.338 120.570 0.147 0.000 2.471 101 I HA 0.197 4.369 4.170 0.002 0.000 0.286 101 I C -2.156 173.946 176.117 -0.025 0.000 1.079 101 I CA -1.648 59.663 61.300 0.019 0.000 1.398 101 I CB 0.948 38.873 38.000 -0.125 0.000 1.403 101 I HN 0.493 nan 8.210 nan 0.000 0.530 102 P HA 0.228 nan 4.420 nan 0.000 0.276 102 P C -0.585 176.530 177.300 -0.308 0.000 1.252 102 P CA -0.261 62.585 63.100 -0.424 0.000 0.802 102 P CB 0.667 32.029 31.700 -0.563 0.000 1.035 103 T N -2.746 111.582 114.554 -0.376 0.000 2.897 103 T HA 0.369 4.720 4.350 0.002 0.000 0.278 103 T C -1.892 172.668 174.700 -0.233 0.000 0.981 103 T CA -1.879 60.071 62.100 -0.249 0.000 0.973 103 T CB 0.278 69.014 68.868 -0.220 0.000 1.092 103 T HN 0.109 nan 8.240 nan 0.000 0.543 104 P HA 0.002 nan 4.420 nan 0.000 0.217 104 P C 1.405 178.634 177.300 -0.118 0.000 1.151 104 P CA 0.964 63.995 63.100 -0.116 0.000 0.828 104 P CB 0.071 31.726 31.700 -0.076 0.000 0.788 105 E N 0.096 120.216 120.200 -0.134 0.000 2.051 105 E HA -0.241 4.111 4.350 0.002 0.000 0.192 105 E C 2.197 178.712 176.600 -0.142 0.000 0.991 105 E CA 1.120 57.454 56.400 -0.109 0.000 0.799 105 E CB -0.376 29.260 29.700 -0.106 0.000 0.748 105 E HN 0.104 nan 8.360 nan 0.000 0.449 106 Q N -0.231 119.383 119.800 -0.311 0.000 2.112 106 Q HA -0.186 4.155 4.340 0.002 0.000 0.206 106 Q C 2.219 178.034 176.000 -0.308 0.000 0.987 106 Q CA 1.947 57.416 55.803 -0.557 0.000 0.858 106 Q CB 0.047 28.130 28.738 -1.092 0.000 0.905 106 Q HN 0.230 nan 8.270 nan 0.000 0.420 107 V N -0.255 119.520 119.914 -0.232 0.000 2.358 107 V HA -0.249 3.872 4.120 0.002 0.000 0.246 107 V C 2.103 178.175 176.094 -0.038 0.000 1.047 107 V CA 1.920 64.160 62.300 -0.100 0.000 1.035 107 V CB -0.467 31.299 31.823 -0.094 0.000 0.658 107 V HN 0.329 nan 8.190 nan 0.000 0.452 108 S N -1.141 114.548 115.700 -0.018 0.000 2.370 108 S HA -0.287 4.184 4.470 0.002 0.000 0.226 108 S C 1.512 176.144 174.600 0.053 0.000 1.033 108 S CA 1.937 60.143 58.200 0.010 0.000 1.011 108 S CB -0.560 62.650 63.200 0.017 0.000 0.852 108 S HN 0.791 nan 8.310 nan 0.000 0.457 109 W N 2.465 123.703 121.300 -0.103 0.000 2.338 109 W HA -0.167 4.494 4.660 0.002 0.000 0.304 109 W C 1.928 178.382 176.519 -0.108 0.000 1.212 109 W CA 1.073 58.377 57.345 -0.067 0.000 1.264 109 W CB -0.553 28.889 29.460 -0.029 0.000 1.142 109 W HN 0.006 nan 8.180 nan 0.000 0.512 110 V N 0.721 120.636 119.914 0.001 0.000 2.287 110 V HA -0.370 3.752 4.120 0.002 0.000 0.248 110 V C 2.427 178.067 176.094 -0.757 0.000 1.053 110 V CA 2.384 64.376 62.300 -0.513 0.000 1.027 110 V CB -1.369 30.179 31.823 -0.459 0.000 0.646 110 V HN 0.218 nan 8.190 nan 0.000 0.447 111 S N -0.534 114.926 115.700 -0.400 0.000 2.365 111 S HA -0.305 4.167 4.470 0.002 0.000 0.225 111 S C 1.995 176.520 174.600 -0.126 0.000 1.039 111 S CA 1.862 59.957 58.200 -0.174 0.000 1.033 111 S CB -0.372 62.809 63.200 -0.031 0.000 0.887 111 S HN 0.553 nan 8.310 nan 0.000 0.447 112 K N 0.496 120.783 120.400 -0.189 0.000 2.057 112 K HA -0.135 4.187 4.320 0.002 0.000 0.207 112 K C 2.322 178.789 176.600 -0.222 0.000 1.049 112 K CA 1.399 57.587 56.287 -0.165 0.000 0.931 112 K CB -0.120 32.276 32.500 -0.173 0.000 0.714 112 K HN 0.215 nan 8.250 nan 0.000 0.440 113 E N -0.408 119.525 120.200 -0.444 0.000 2.152 113 E HA -0.155 4.196 4.350 0.002 0.000 0.192 113 E C 1.423 177.954 176.600 -0.115 0.000 0.983 113 E CA 1.024 57.155 56.400 -0.449 0.000 0.818 113 E CB 0.008 29.150 29.700 -0.929 0.000 0.758 113 E HN 0.294 nan 8.360 nan 0.000 0.467 114 W N 0.220 121.354 121.300 -0.276 0.000 2.518 114 W HA 0.258 4.919 4.660 0.002 0.000 0.273 114 W C 2.158 178.639 176.519 -0.063 0.000 1.247 114 W CA 0.698 57.921 57.345 -0.204 0.000 1.288 114 W CB -1.039 28.240 29.460 -0.300 0.000 1.107 114 W HN 0.193 nan 8.180 nan 0.000 0.586 115 A N 0.786 123.704 122.820 0.163 0.000 1.858 115 A HA -0.217 4.105 4.320 0.002 0.000 0.216 115 A C 2.088 179.707 177.584 0.059 0.000 1.190 115 A CA 1.955 54.057 52.037 0.108 0.000 0.617 115 A CB -0.745 18.291 19.000 0.060 0.000 0.827 115 A HN 0.208 nan 8.150 nan 0.000 0.443 116 K N -0.422 119.990 120.400 0.019 0.000 2.034 116 K HA -0.201 4.120 4.320 0.002 0.000 0.214 116 K C 1.986 178.597 176.600 0.017 0.000 1.051 116 K CA 1.918 58.207 56.287 0.003 0.000 0.931 116 K CB -0.268 32.214 32.500 -0.030 0.000 0.715 116 K HN 0.442 nan 8.250 nan 0.000 0.446 117 R N 0.525 121.040 120.500 0.025 0.000 2.323 117 R HA 0.098 4.440 4.340 0.002 0.000 0.198 117 R C 0.460 176.774 176.300 0.023 0.000 0.988 117 R CA 0.126 56.240 56.100 0.024 0.000 1.041 117 R CB 0.036 30.346 30.300 0.017 0.000 0.926 117 R HN 0.052 nan 8.270 nan 0.000 0.476 118 A N 1.962 124.802 122.820 0.032 0.000 2.545 118 A HA 0.510 4.831 4.320 0.002 0.000 0.297 118 A C -0.114 177.480 177.584 0.017 0.000 1.340 118 A CA 0.022 52.075 52.037 0.026 0.000 1.016 118 A CB -0.079 18.947 19.000 0.043 0.000 1.122 118 A HN 0.299 nan 8.150 nan 0.000 0.537 119 A N 2.828 125.654 122.820 0.011 0.000 2.513 119 A HA 0.611 4.932 4.320 0.002 0.000 0.296 119 A C -1.348 176.232 177.584 -0.007 0.000 1.052 119 A CA -0.448 51.591 52.037 0.004 0.000 0.714 119 A CB 0.804 19.809 19.000 0.009 0.000 1.279 119 A HN 0.642 nan 8.150 nan 0.000 0.397 120 L N 3.433 124.642 121.223 -0.022 0.000 2.322 120 L HA 0.699 5.040 4.340 0.002 0.000 0.279 120 L C -1.912 174.913 176.870 -0.075 0.000 1.036 120 L CA -1.494 53.314 54.840 -0.054 0.000 0.807 120 L CB 1.145 43.172 42.059 -0.053 0.000 1.226 120 L HN 0.569 nan 8.230 nan 0.000 0.433 121 P HA 0.288 nan 4.420 nan 0.000 0.279 121 P C 0.429 177.629 177.300 -0.167 0.000 1.252 121 P CA -0.497 62.530 63.100 -0.121 0.000 0.811 121 P CB 0.864 32.508 31.700 -0.093 0.000 1.035 122 S N 1.716 117.384 115.700 -0.054 0.000 2.359 122 S HA -0.318 4.153 4.470 0.002 0.000 0.223 122 S C 1.829 176.394 174.600 -0.060 0.000 1.039 122 S CA 1.982 60.160 58.200 -0.036 0.000 1.042 122 S CB -1.944 61.266 63.200 0.017 0.000 0.915 122 S HN 0.755 nan 8.310 nan 0.000 0.439 123 H N 1.258 120.300 119.070 -0.045 0.000 2.390 123 H HA -0.020 4.538 4.556 0.002 0.000 0.298 123 H C 1.796 177.083 175.328 -0.068 0.000 1.106 123 H CA 1.464 57.479 56.048 -0.056 0.000 1.297 123 H CB -0.882 28.849 29.762 -0.050 0.000 1.375 123 H HN 0.275 nan 8.280 nan 0.000 0.509 124 V N 0.973 120.539 119.914 -0.581 0.000 2.270 124 V HA -0.249 3.872 4.120 0.002 0.000 0.245 124 V C 2.699 178.676 176.094 -0.195 0.000 1.043 124 V CA 1.531 63.618 62.300 -0.356 0.000 1.014 124 V CB -0.597 31.005 31.823 -0.368 0.000 0.645 124 V HN 0.419 nan 8.190 nan 0.000 0.447 125 V N -0.173 119.643 119.914 -0.163 0.000 2.252 125 V HA -0.334 3.787 4.120 0.002 0.000 0.249 125 V C 2.582 178.607 176.094 -0.114 0.000 1.056 125 V CA 2.747 64.985 62.300 -0.105 0.000 1.022 125 V CB -1.288 30.489 31.823 -0.076 0.000 0.641 125 V HN 0.591 nan 8.190 nan 0.000 0.445 126 T N -0.258 114.232 114.554 -0.106 0.000 2.635 126 T HA -0.344 4.007 4.350 0.002 0.000 0.267 126 T C 1.846 176.435 174.700 -0.184 0.000 1.040 126 T CA 2.525 64.561 62.100 -0.105 0.000 1.156 126 T CB -0.340 68.490 68.868 -0.063 0.000 0.863 126 T HN 0.450 nan 8.240 nan 0.000 0.430 127 M N 0.342 119.799 119.600 -0.239 0.000 2.065 127 M HA -0.094 4.387 4.480 0.002 0.000 0.259 127 M C 2.077 177.923 176.300 -0.758 0.000 1.069 127 M CA 1.742 56.769 55.300 -0.455 0.000 1.110 127 M CB -0.322 32.068 32.600 -0.351 0.000 1.328 127 M HN 0.232 nan 8.290 nan 0.000 0.405 128 L N 0.016 120.975 121.223 -0.440 0.000 2.012 128 L HA -0.263 4.078 4.340 0.002 0.000 0.210 128 L C 1.777 178.547 176.870 -0.166 0.000 1.073 128 L CA 1.333 56.022 54.840 -0.252 0.000 0.748 128 L CB -1.096 40.955 42.059 -0.013 0.000 0.891 128 L HN 0.303 nan 8.230 nan 0.000 0.431 129 D N -0.269 120.046 120.400 -0.142 0.000 2.384 129 D HA -0.116 4.525 4.640 0.002 0.000 0.222 129 D C 1.484 177.730 176.300 -0.090 0.000 0.976 129 D CA 0.715 54.665 54.000 -0.083 0.000 0.915 129 D CB -0.199 40.561 40.800 -0.067 0.000 0.896 129 D HN 0.337 nan 8.370 nan 0.000 0.523 130 N N -0.447 118.144 118.700 -0.182 0.000 2.220 130 N HA -0.006 4.736 4.740 0.002 0.000 0.195 130 N C -0.118 175.389 175.510 -0.005 0.000 1.123 130 N CA -0.146 52.831 53.050 -0.122 0.000 0.874 130 N CB 0.524 38.921 38.487 -0.151 0.000 0.995 130 N HN 0.023 nan 8.380 nan 0.000 0.498 131 F N 2.966 122.912 119.950 -0.006 0.000 2.471 131 F HA 0.285 4.813 4.527 0.002 0.000 0.353 131 F C -1.377 174.414 175.800 -0.015 0.000 1.113 131 F CA -2.580 55.418 58.000 -0.005 0.000 1.262 131 F CB -0.127 38.872 39.000 -0.002 0.000 1.146 131 F HN -0.058 nan 8.300 nan 0.000 0.578 132 P HA 0.131 nan 4.420 nan 0.000 0.277 132 P C 0.555 177.878 177.300 0.039 0.000 1.240 132 P CA -0.228 62.924 63.100 0.088 0.000 0.798 132 P CB 0.506 32.243 31.700 0.062 0.000 0.979 133 T N -2.232 112.326 114.554 0.007 0.000 3.072 133 T HA -0.129 4.222 4.350 0.002 0.000 0.266 133 T C 1.058 175.742 174.700 -0.027 0.000 1.127 133 T CA 1.151 63.233 62.100 -0.030 0.000 1.107 133 T CB -1.169 67.674 68.868 -0.040 0.000 0.910 133 T HN 0.616 nan 8.240 nan 0.000 0.513 134 N N -0.049 118.647 118.700 -0.007 0.000 2.336 134 N HA 0.125 4.866 4.740 0.002 0.000 0.189 134 N C 0.305 175.813 175.510 -0.004 0.000 1.113 134 N CA -0.486 52.565 53.050 0.002 0.000 0.858 134 N CB -0.207 38.288 38.487 0.012 0.000 0.970 134 N HN 0.245 nan 8.380 nan 0.000 0.471 135 L N 2.349 123.550 121.223 -0.037 0.000 2.325 135 L HA 0.186 4.527 4.340 0.002 0.000 0.284 135 L C -0.067 176.771 176.870 -0.052 0.000 1.089 135 L CA -0.573 54.216 54.840 -0.086 0.000 0.836 135 L CB -0.449 41.463 42.059 -0.244 0.000 1.184 135 L HN 0.252 nan 8.230 nan 0.000 0.444 136 H N 7.066 126.090 119.070 -0.076 0.000 3.115 136 H HA -0.006 4.552 4.556 0.002 0.000 0.324 136 H C -1.601 173.710 175.328 -0.029 0.000 1.007 136 H CA -0.207 55.824 56.048 -0.028 0.000 1.385 136 H CB 0.880 30.634 29.762 -0.014 0.000 1.351 136 H HN 0.564 nan 8.280 nan 0.000 0.592 137 P HA -0.264 nan 4.420 nan 0.000 0.216 137 P C 1.452 178.853 177.300 0.168 0.000 1.150 137 P CA 1.427 64.540 63.100 0.021 0.000 0.843 137 P CB 0.150 31.900 31.700 0.083 0.000 0.787 138 M N -1.017 118.844 119.600 0.435 0.000 2.175 138 M HA -0.072 4.410 4.480 0.002 0.000 0.264 138 M C 2.006 178.350 176.300 0.073 0.000 1.063 138 M CA 1.660 57.084 55.300 0.206 0.000 1.119 138 M CB -1.684 30.983 32.600 0.113 0.000 1.377 138 M HN -0.080 nan 8.290 nan 0.000 0.415 139 S N 0.380 116.113 115.700 0.054 0.000 2.383 139 S HA -0.138 4.334 4.470 0.002 0.000 0.227 139 S C 1.857 176.380 174.600 -0.128 0.000 1.026 139 S CA 0.935 59.098 58.200 -0.062 0.000 0.981 139 S CB -0.289 62.852 63.200 -0.099 0.000 0.818 139 S HN 0.534 nan 8.310 nan 0.000 0.472 140 Q N 0.534 120.237 119.800 -0.161 0.000 2.050 140 Q HA -0.115 4.226 4.340 0.002 0.000 0.202 140 Q C 2.346 178.407 176.000 0.102 0.000 0.980 140 Q CA 1.278 56.992 55.803 -0.149 0.000 0.840 140 Q CB -0.498 28.211 28.738 -0.049 0.000 0.898 140 Q HN 0.418 nan 8.270 nan 0.000 0.424 141 L N 0.564 121.844 121.223 0.095 0.000 1.994 141 L HA -0.180 4.161 4.340 0.002 0.000 0.208 141 L C 2.470 179.406 176.870 0.110 0.000 1.071 141 L CA 2.174 57.088 54.840 0.122 0.000 0.745 141 L CB -0.918 41.200 42.059 0.099 0.000 0.892 141 L HN 0.093 nan 8.230 nan 0.000 0.431 142 S N -0.707 115.024 115.700 0.051 0.000 2.353 142 S HA -0.215 4.257 4.470 0.002 0.000 0.222 142 S C 2.146 176.795 174.600 0.080 0.000 1.035 142 S CA 1.463 59.680 58.200 0.029 0.000 1.025 142 S CB -0.634 62.550 63.200 -0.027 0.000 0.902 142 S HN 0.689 nan 8.310 nan 0.000 0.440 143 A N 1.173 124.048 122.820 0.093 0.000 1.933 143 A HA 0.200 4.521 4.320 0.002 0.000 0.218 143 A C 2.431 180.137 177.584 0.202 0.000 1.175 143 A CA 1.871 54.002 52.037 0.156 0.000 0.628 143 A CB -1.284 17.839 19.000 0.206 0.000 0.814 143 A HN 0.755 nan 8.150 nan 0.000 0.444 144 A N 0.143 123.097 122.820 0.223 0.000 1.877 144 A HA -0.082 4.239 4.320 0.002 0.000 0.216 144 A C 2.092 179.764 177.584 0.147 0.000 1.186 144 A CA 1.524 53.669 52.037 0.180 0.000 0.620 144 A CB -0.643 18.464 19.000 0.178 0.000 0.822 144 A HN 0.490 nan 8.150 nan 0.000 0.443 145 I N -0.304 120.375 120.570 0.183 0.000 2.163 145 I HA -0.263 3.908 4.170 0.002 0.000 0.243 145 I C 2.626 178.877 176.117 0.224 0.000 1.085 145 I CA 1.849 63.297 61.300 0.246 0.000 1.347 145 I CB -0.821 37.386 38.000 0.344 0.000 1.044 145 I HN 0.250 nan 8.210 nan 0.000 0.408 146 T N 0.786 115.443 114.554 0.172 0.000 2.684 146 T HA -0.221 4.131 4.350 0.002 0.000 0.267 146 T C 1.995 176.762 174.700 0.112 0.000 1.036 146 T CA 1.659 63.845 62.100 0.142 0.000 1.148 146 T CB -0.415 68.518 68.868 0.108 0.000 0.863 146 T HN 0.512 nan 8.240 nan 0.000 0.436 147 A N 0.778 123.666 122.820 0.113 0.000 2.121 147 A HA 0.073 4.395 4.320 0.002 0.000 0.218 147 A C 1.987 179.652 177.584 0.135 0.000 1.154 147 A CA 0.777 52.892 52.037 0.129 0.000 0.679 147 A CB -0.532 18.562 19.000 0.156 0.000 0.795 147 A HN 0.350 nan 8.150 nan 0.000 0.458 148 L N 1.064 122.297 121.223 0.016 0.000 2.552 148 L HA -0.042 4.299 4.340 0.002 0.000 0.227 148 L C 2.006 178.629 176.870 -0.412 0.000 1.146 148 L CA 1.203 55.950 54.840 -0.155 0.000 0.858 148 L CB -1.103 40.865 42.059 -0.152 0.000 0.969 148 L HN 0.671 nan 8.230 nan 0.000 0.451 149 N N -1.443 117.126 118.700 -0.217 0.000 2.520 149 N HA -0.163 4.578 4.740 0.002 0.000 0.185 149 N C 1.482 176.894 175.510 -0.164 0.000 1.068 149 N CA 0.973 53.892 53.050 -0.219 0.000 0.911 149 N CB 0.139 38.655 38.487 0.048 0.000 0.961 149 N HN 0.176 nan 8.380 nan 0.000 0.446 150 S N 0.604 116.236 115.700 -0.113 0.000 2.419 150 S HA -0.062 4.409 4.470 0.002 0.000 0.235 150 S C 1.290 175.840 174.600 -0.083 0.000 1.019 150 S CA 0.894 59.044 58.200 -0.083 0.000 0.982 150 S CB -0.043 63.116 63.200 -0.069 0.000 0.789 150 S HN 0.472 nan 8.310 nan 0.000 0.490 151 E N 0.820 120.929 120.200 -0.152 0.000 2.385 151 E HA 0.101 4.453 4.350 0.002 0.000 0.194 151 E C 0.778 177.354 176.600 -0.040 0.000 1.013 151 E CA -0.064 56.264 56.400 -0.119 0.000 0.866 151 E CB -0.169 29.403 29.700 -0.214 0.000 0.832 151 E HN 0.323 nan 8.360 nan 0.000 0.500 152 S N 1.926 117.607 115.700 -0.031 0.000 2.673 152 S HA -0.040 4.432 4.470 0.002 0.000 0.308 152 S C 1.005 175.699 174.600 0.156 0.000 1.246 152 S CA -0.058 58.272 58.200 0.215 0.000 1.077 152 S CB 0.128 63.527 63.200 0.332 0.000 0.814 152 S HN 0.160 nan 8.310 nan 0.000 0.503 153 N N 3.912 122.748 118.700 0.226 0.000 2.333 153 N HA -0.064 4.677 4.740 0.002 0.000 0.178 153 N C 1.361 176.923 175.510 0.088 0.000 1.018 153 N CA 0.866 54.016 53.050 0.165 0.000 0.882 153 N CB -0.221 38.431 38.487 0.275 0.000 0.984 153 N HN 0.764 nan 8.380 nan 0.000 0.434 154 F N 2.846 122.859 119.950 0.105 0.000 2.113 154 F HA -0.016 4.512 4.527 0.002 0.000 0.297 154 F C 2.444 178.222 175.800 -0.036 0.000 1.103 154 F CA 1.105 59.128 58.000 0.039 0.000 1.248 154 F CB -0.497 38.558 39.000 0.093 0.000 0.999 154 F HN -0.050 nan 8.300 nan 0.000 0.475 155 A N 1.151 123.846 122.820 -0.207 0.000 1.869 155 A HA -0.283 4.038 4.320 0.002 0.000 0.218 155 A C 2.449 179.870 177.584 -0.272 0.000 1.203 155 A CA 2.191 54.074 52.037 -0.256 0.000 0.638 155 A CB -1.206 17.780 19.000 -0.023 0.000 0.831 155 A HN 0.491 nan 8.150 nan 0.000 0.450 156 R N -0.778 119.610 120.500 -0.187 0.000 2.122 156 R HA -0.223 4.119 4.340 0.002 0.000 0.236 156 R C 2.481 178.611 176.300 -0.284 0.000 1.129 156 R CA 1.905 57.897 56.100 -0.180 0.000 0.925 156 R CB -0.604 29.616 30.300 -0.133 0.000 0.850 156 R HN 0.512 nan 8.270 nan 0.000 0.431 157 A N 0.116 122.664 122.820 -0.452 0.000 1.873 157 A HA -0.280 4.041 4.320 0.002 0.000 0.218 157 A C 2.061 179.350 177.584 -0.492 0.000 1.193 157 A CA 1.826 53.483 52.037 -0.634 0.000 0.629 157 A CB -1.217 16.966 19.000 -1.362 0.000 0.826 157 A HN 0.658 nan 8.150 nan 0.000 0.447 158 Y N 0.697 120.571 120.300 -0.709 0.000 2.069 158 Y HA -0.254 4.297 4.550 0.002 0.000 0.278 158 Y C 2.676 178.395 175.900 -0.303 0.000 1.175 158 Y CA 1.863 59.624 58.100 -0.565 0.000 1.134 158 Y CB -0.718 37.191 38.460 -0.917 0.000 0.965 158 Y HN 0.324 nan 8.280 nan 0.000 0.498 159 A N 0.095 122.839 122.820 -0.126 0.000 1.978 159 A HA -0.217 4.104 4.320 0.002 0.000 0.220 159 A C 1.937 179.415 177.584 -0.176 0.000 1.170 159 A CA 1.880 53.859 52.037 -0.098 0.000 0.636 159 A CB -0.707 18.262 19.000 -0.052 0.000 0.810 159 A HN 0.682 nan 8.150 nan 0.000 0.448 160 E N -1.143 118.933 120.200 -0.207 0.000 2.463 160 E HA 0.267 4.618 4.350 0.002 0.000 0.191 160 E C 0.773 177.262 176.600 -0.185 0.000 1.083 160 E CA 0.180 56.475 56.400 -0.174 0.000 0.872 160 E CB -0.307 29.294 29.700 -0.165 0.000 0.966 160 E HN 0.734 nan 8.360 nan 0.000 0.491 161 G N 2.428 111.072 108.800 -0.260 0.000 2.256 161 G HA2 -0.277 3.684 3.960 0.002 0.000 0.272 161 G HA3 -0.277 3.684 3.960 0.002 0.000 0.272 161 G C 0.274 175.072 174.900 -0.171 0.000 1.076 161 G CA 0.384 45.339 45.100 -0.242 0.000 0.882 161 G HN 0.378 nan 8.290 nan 0.000 0.497 162 I N -2.433 118.039 120.570 -0.164 0.000 3.004 162 I HA 0.432 4.603 4.170 0.002 0.000 0.287 162 I C 0.626 176.768 176.117 0.042 0.000 1.144 162 I CA -0.989 60.301 61.300 -0.017 0.000 1.353 162 I CB 0.656 38.697 38.000 0.069 0.000 1.417 162 I HN 0.133 nan 8.210 nan 0.000 0.602 163 N N 2.440 121.150 118.700 0.017 0.000 2.514 163 N HA 0.103 4.844 4.740 0.002 0.000 0.277 163 N C 0.802 176.114 175.510 -0.330 0.000 1.126 163 N CA -0.379 52.615 53.050 -0.093 0.000 0.978 163 N CB 0.884 39.335 38.487 -0.060 0.000 1.106 163 N HN 0.611 nan 8.380 nan 0.000 0.461 164 R N 0.753 120.894 120.500 -0.599 0.000 2.174 164 R HA -0.184 4.158 4.340 0.002 0.000 0.253 164 R C 1.721 177.651 176.300 -0.617 0.000 1.165 164 R CA 2.187 57.580 56.100 -1.177 0.000 0.984 164 R CB -0.702 29.286 30.300 -0.520 0.000 0.873 164 R HN 0.729 nan 8.270 nan 0.000 0.456 165 T N -0.966 113.443 114.554 -0.241 0.000 2.777 165 T HA -0.085 4.266 4.350 0.002 0.000 0.266 165 T C 1.635 176.355 174.700 0.034 0.000 1.040 165 T CA 0.923 63.003 62.100 -0.034 0.000 1.141 165 T CB -0.053 68.815 68.868 -0.001 0.000 0.868 165 T HN 0.262 nan 8.240 nan 0.000 0.444 166 K N -0.242 120.156 120.400 -0.005 0.000 2.432 166 K HA 0.060 4.381 4.320 0.002 0.000 0.196 166 K C 1.841 178.536 176.600 0.159 0.000 1.038 166 K CA 0.203 56.473 56.287 -0.028 0.000 0.986 166 K CB -0.240 32.322 32.500 0.103 0.000 0.782 166 K HN 0.292 nan 8.250 nan 0.000 0.485 167 Y N 1.807 122.230 120.300 0.204 0.000 2.096 167 Y HA -0.321 4.230 4.550 0.002 0.000 0.278 167 Y C 2.233 178.274 175.900 0.235 0.000 1.192 167 Y CA 1.038 59.362 58.100 0.372 0.000 1.143 167 Y CB -1.245 37.414 38.460 0.332 0.000 0.963 167 Y HN 0.390 nan 8.280 nan 0.000 0.505 168 W N 0.950 122.394 121.300 0.239 0.000 2.364 168 W HA -0.182 4.479 4.660 0.002 0.000 0.281 168 W C 1.356 177.885 176.519 0.017 0.000 1.219 168 W CA 1.377 58.742 57.345 0.034 0.000 1.220 168 W CB -0.935 28.451 29.460 -0.123 0.000 1.127 168 W HN 0.213 nan 8.180 nan 0.000 0.556 169 E N 0.371 120.062 120.200 -0.849 0.000 2.110 169 E HA -0.159 4.193 4.350 0.002 0.000 0.193 169 E C 1.850 178.176 176.600 -0.457 0.000 0.988 169 E CA 1.774 57.533 56.400 -1.067 0.000 0.804 169 E CB -0.509 28.327 29.700 -1.440 0.000 0.745 169 E HN 0.270 nan 8.360 nan 0.000 0.458 170 F N -0.618 119.349 119.950 0.029 0.000 2.473 170 F HA -0.047 4.482 4.527 0.002 0.000 0.294 170 F C 2.075 177.989 175.800 0.190 0.000 1.103 170 F CA 0.245 58.343 58.000 0.165 0.000 1.442 170 F CB -0.224 38.933 39.000 0.261 0.000 1.097 170 F HN -0.128 nan 8.300 nan 0.000 0.547 171 V N -0.519 119.565 119.914 0.284 0.000 2.358 171 V HA -0.318 3.803 4.120 0.002 0.000 0.246 171 V C 2.171 178.342 176.094 0.129 0.000 1.047 171 V CA 1.818 64.178 62.300 0.099 0.000 1.035 171 V CB -0.884 30.906 31.823 -0.054 0.000 0.658 171 V HN 0.421 nan 8.190 nan 0.000 0.452 172 Y N 1.299 121.656 120.300 0.094 0.000 2.207 172 Y HA -0.242 4.309 4.550 0.002 0.000 0.287 172 Y C 2.534 178.494 175.900 0.100 0.000 1.156 172 Y CA 2.018 60.189 58.100 0.119 0.000 1.182 172 Y CB -0.023 38.550 38.460 0.187 0.000 0.979 172 Y HN 0.261 nan 8.280 nan 0.000 0.521 173 E N 0.269 120.528 120.200 0.099 0.000 2.028 173 E HA -0.169 4.182 4.350 0.002 0.000 0.190 173 E C 1.873 178.471 176.600 -0.003 0.000 0.984 173 E CA 1.350 57.776 56.400 0.042 0.000 0.800 173 E CB -0.523 29.280 29.700 0.172 0.000 0.758 173 E HN 0.551 nan 8.360 nan 0.000 0.448 174 D N 0.845 121.284 120.400 0.066 0.000 2.123 174 D HA -0.128 4.513 4.640 0.002 0.000 0.196 174 D C 1.813 177.985 176.300 -0.213 0.000 0.992 174 D CA 1.591 55.593 54.000 0.004 0.000 0.833 174 D CB -0.240 40.601 40.800 0.069 0.000 0.954 174 D HN 0.163 nan 8.370 nan 0.000 0.455 175 A N 0.665 123.369 122.820 -0.194 0.000 1.873 175 A HA -0.159 4.162 4.320 0.002 0.000 0.215 175 A C 2.184 179.596 177.584 -0.287 0.000 1.186 175 A CA 1.311 53.203 52.037 -0.242 0.000 0.616 175 A CB -0.393 18.541 19.000 -0.111 0.000 0.823 175 A HN 0.092 nan 8.150 nan 0.000 0.442 176 M N 0.009 119.447 119.600 -0.270 0.000 2.080 176 M HA -0.164 4.317 4.480 0.002 0.000 0.260 176 M C 1.579 177.744 176.300 -0.224 0.000 1.068 176 M CA 1.705 56.871 55.300 -0.222 0.000 1.109 176 M CB -1.555 30.881 32.600 -0.273 0.000 1.342 176 M HN 0.347 nan 8.290 nan 0.000 0.405 177 D N 0.517 120.831 120.400 -0.143 0.000 2.104 177 D HA -0.141 4.501 4.640 0.002 0.000 0.194 177 D C 2.004 178.237 176.300 -0.111 0.000 0.994 177 D CA 0.956 54.920 54.000 -0.060 0.000 0.830 177 D CB -0.456 40.393 40.800 0.082 0.000 0.959 177 D HN 0.207 nan 8.370 nan 0.000 0.452 178 L N 0.723 121.814 121.223 -0.219 0.000 2.017 178 L HA -0.146 4.195 4.340 0.002 0.000 0.208 178 L C 1.899 178.539 176.870 -0.384 0.000 1.073 178 L CA 1.367 56.032 54.840 -0.291 0.000 0.745 178 L CB -0.562 41.156 42.059 -0.568 0.000 0.894 178 L HN -0.072 nan 8.230 nan 0.000 0.432 179 I N 0.536 120.762 120.570 -0.574 0.000 2.194 179 I HA -0.271 3.901 4.170 0.002 0.000 0.246 179 I C 2.733 178.466 176.117 -0.640 0.000 1.093 179 I CA 1.431 62.225 61.300 -0.843 0.000 1.355 179 I CB -2.256 34.730 38.000 -1.690 0.000 1.046 179 I HN 0.367 nan 8.210 nan 0.000 0.413 180 A N 0.505 122.989 122.820 -0.560 0.000 1.930 180 A HA -0.196 4.126 4.320 0.002 0.000 0.217 180 A C 2.353 179.902 177.584 -0.059 0.000 1.175 180 A CA 1.538 53.441 52.037 -0.224 0.000 0.627 180 A CB -0.445 18.478 19.000 -0.130 0.000 0.815 180 A HN 0.407 nan 8.150 nan 0.000 0.443 181 K N -0.725 119.629 120.400 -0.078 0.000 2.116 181 K HA 0.056 4.377 4.320 0.002 0.000 0.203 181 K C 1.688 178.247 176.600 -0.068 0.000 1.052 181 K CA 0.565 56.829 56.287 -0.038 0.000 0.952 181 K CB -0.253 32.255 32.500 0.013 0.000 0.729 181 K HN 0.237 nan 8.250 nan 0.000 0.446 182 L N 1.645 122.804 121.223 -0.108 0.000 2.030 182 L HA -0.209 4.132 4.340 0.002 0.000 0.222 182 L C -0.945 175.758 176.870 -0.277 0.000 1.082 182 L CA 2.154 56.904 54.840 -0.151 0.000 0.785 182 L CB -1.599 40.352 42.059 -0.179 0.000 0.895 182 L HN 0.112 nan 8.230 nan 0.000 0.439 183 P HA -0.071 nan 4.420 nan 0.000 0.217 183 P C 2.161 179.328 177.300 -0.223 0.000 1.151 183 P CA 1.272 63.927 63.100 -0.740 0.000 0.828 183 P CB -0.213 30.797 31.700 -1.151 0.000 0.788 184 C N -0.697 118.535 119.300 -0.113 0.000 2.413 184 C HA -0.093 4.369 4.460 0.002 0.000 0.276 184 C C 2.882 177.894 174.990 0.036 0.000 1.236 184 C CA 0.883 59.897 59.018 -0.006 0.000 1.735 184 C CB -1.541 26.192 27.740 -0.011 0.000 2.031 184 C HN 0.099 nan 8.230 nan 0.000 0.474 185 V N 1.182 121.106 119.914 0.017 0.000 2.307 185 V HA -0.187 3.934 4.120 0.002 0.000 0.245 185 V C 2.696 178.870 176.094 0.133 0.000 1.045 185 V CA 2.233 64.572 62.300 0.066 0.000 1.024 185 V CB -1.306 30.555 31.823 0.064 0.000 0.651 185 V HN 0.598 nan 8.190 nan 0.000 0.449 186 A N 0.044 122.939 122.820 0.124 0.000 1.902 186 A HA -0.123 4.198 4.320 0.002 0.000 0.217 186 A C 2.432 180.285 177.584 0.450 0.000 1.181 186 A CA 2.139 54.342 52.037 0.277 0.000 0.623 186 A CB -0.847 18.257 19.000 0.174 0.000 0.818 186 A HN 0.573 nan 8.150 nan 0.000 0.443 187 A N -0.167 122.889 122.820 0.394 0.000 1.908 187 A HA -0.197 4.124 4.320 0.002 0.000 0.218 187 A C 2.091 179.827 177.584 0.254 0.000 1.181 187 A CA 2.345 54.591 52.037 0.349 0.000 0.627 187 A CB -0.453 18.714 19.000 0.277 0.000 0.818 187 A HN 0.508 nan 8.150 nan 0.000 0.445 188 K N -0.112 120.400 120.400 0.185 0.000 2.097 188 K HA -0.040 4.282 4.320 0.002 0.000 0.206 188 K C 1.654 178.332 176.600 0.129 0.000 1.049 188 K CA 1.509 57.871 56.287 0.125 0.000 0.933 188 K CB -0.413 32.137 32.500 0.084 0.000 0.717 188 K HN 0.512 nan 8.250 nan 0.000 0.442 189 I N -0.313 120.376 120.570 0.198 0.000 2.179 189 I HA -0.286 3.885 4.170 0.002 0.000 0.242 189 I C 2.045 178.221 176.117 0.099 0.000 1.088 189 I CA 1.322 62.737 61.300 0.191 0.000 1.357 189 I CB -0.319 37.862 38.000 0.302 0.000 1.051 189 I HN 0.224 nan 8.210 nan 0.000 0.409 190 Y N 1.550 121.861 120.300 0.019 0.000 2.145 190 Y HA -0.297 4.254 4.550 0.002 0.000 0.286 190 Y C 2.664 178.483 175.900 -0.135 0.000 1.145 190 Y CA 1.585 59.563 58.100 -0.203 0.000 1.148 190 Y CB -0.181 38.055 38.460 -0.372 0.000 0.981 190 Y HN -0.063 nan 8.280 nan 0.000 0.507 191 R N 0.916 121.442 120.500 0.043 0.000 2.097 191 R HA -0.201 4.141 4.340 0.002 0.000 0.236 191 R C 2.048 178.268 176.300 -0.133 0.000 1.135 191 R CA 2.184 58.272 56.100 -0.020 0.000 0.934 191 R CB -1.217 29.111 30.300 0.046 0.000 0.846 191 R HN 0.581 nan 8.270 nan 0.000 0.431 192 N N -0.418 118.216 118.700 -0.110 0.000 2.061 192 N HA -0.181 4.561 4.740 0.002 0.000 0.193 192 N C 1.680 177.048 175.510 -0.237 0.000 1.030 192 N CA 1.515 54.491 53.050 -0.123 0.000 0.856 192 N CB -0.155 38.300 38.487 -0.053 0.000 1.023 192 N HN 0.117 nan 8.380 nan 0.000 0.424 193 L N -0.898 120.058 121.223 -0.445 0.000 2.068 193 L HA -0.079 4.263 4.340 0.002 0.000 0.204 193 L C 1.095 177.506 176.870 -0.765 0.000 1.076 193 L CA 0.923 55.317 54.840 -0.744 0.000 0.753 193 L CB -0.153 41.106 42.059 -1.334 0.000 0.910 193 L HN 0.223 nan 8.230 nan 0.000 0.439 194 Y N -1.658 118.418 120.300 -0.374 0.000 2.481 194 Y HA 0.255 4.806 4.550 0.002 0.000 0.247 194 Y C 1.052 176.762 175.900 -0.318 0.000 1.151 194 Y CA -0.475 57.383 58.100 -0.404 0.000 1.238 194 Y CB 0.325 38.377 38.460 -0.681 0.000 1.179 194 Y HN -0.072 nan 8.280 nan 0.000 0.524 195 R N 0.607 121.006 120.500 -0.168 0.000 2.727 195 R HA 0.490 4.831 4.340 0.002 0.000 0.410 195 R C 0.609 176.868 176.300 -0.069 0.000 1.101 195 R CA 0.099 56.145 56.100 -0.091 0.000 1.045 195 R CB 0.241 30.511 30.300 -0.049 0.000 1.380 195 R HN 0.136 nan 8.270 nan 0.000 0.587 196 A N 0.819 123.593 122.820 -0.076 0.000 2.665 196 A HA -0.220 4.102 4.320 0.002 0.000 0.301 196 A C 1.271 178.826 177.584 -0.048 0.000 1.509 196 A CA 1.227 53.229 52.037 -0.057 0.000 0.789 196 A CB -2.050 16.925 19.000 -0.041 0.000 1.024 196 A HN 0.847 nan 8.150 nan 0.000 0.460 197 G N -1.391 107.375 108.800 -0.058 0.000 2.233 197 G HA2 -0.066 3.895 3.960 0.002 0.000 0.270 197 G HA3 -0.066 3.895 3.960 0.002 0.000 0.270 197 G C 0.655 175.542 174.900 -0.022 0.000 1.011 197 G CA 1.277 46.353 45.100 -0.040 0.000 0.762 197 G HN 2.535 nan 8.290 nan 0.000 0.511 198 S N -0.679 115.011 115.700 -0.017 0.000 2.580 198 S HA 0.552 5.023 4.470 0.002 0.000 0.266 198 S C 0.810 175.415 174.600 0.008 0.000 1.354 198 S CA 0.356 58.553 58.200 -0.005 0.000 1.008 198 S CB 1.589 64.787 63.200 -0.002 0.000 0.898 198 S HN 1.817 nan 8.310 nan 0.000 0.555 199 S N 0.300 116.007 115.700 0.011 0.000 2.584 199 S HA 0.234 4.706 4.470 0.002 0.000 0.273 199 S C 1.047 175.667 174.600 0.032 0.000 1.311 199 S CA -0.695 57.516 58.200 0.018 0.000 1.034 199 S CB -0.029 63.178 63.200 0.011 0.000 0.939 199 S HN 0.920 nan 8.310 nan 0.000 0.513 200 I N 1.363 121.958 120.570 0.042 0.000 3.444 200 I HA 0.345 4.516 4.170 0.002 0.000 0.287 200 I C 1.119 177.264 176.117 0.046 0.000 1.302 200 I CA 0.270 61.605 61.300 0.058 0.000 1.368 200 I CB -1.559 36.484 38.000 0.072 0.000 1.048 200 I HN 0.975 nan 8.210 nan 0.000 0.487 201 G N 1.530 110.349 108.800 0.031 0.000 2.601 201 G HA2 -0.110 3.851 3.960 0.002 0.000 0.252 201 G HA3 -0.110 3.851 3.960 0.002 0.000 0.252 201 G C -0.235 174.678 174.900 0.021 0.000 1.294 201 G CA -0.017 45.097 45.100 0.023 0.000 0.912 201 G HN 1.035 nan 8.290 nan 0.000 0.574 202 A N -1.197 121.633 122.820 0.016 0.000 2.309 202 A HA 0.786 5.107 4.320 0.002 0.000 0.317 202 A C -0.016 177.576 177.584 0.013 0.000 1.134 202 A CA -0.617 51.429 52.037 0.014 0.000 0.866 202 A CB 1.072 20.077 19.000 0.008 0.000 1.329 202 A HN 1.109 nan 8.150 nan 0.000 0.477 203 I N 1.625 122.204 120.570 0.015 0.000 2.441 203 I HA 0.200 4.371 4.170 0.002 0.000 0.287 203 I C -0.290 175.830 176.117 0.006 0.000 1.049 203 I CA -0.292 61.019 61.300 0.018 0.000 1.381 203 I CB 1.034 39.052 38.000 0.030 0.000 1.409 203 I HN 0.561 nan 8.210 nan 0.000 0.523 204 D N 4.402 124.797 120.400 -0.007 0.000 2.454 204 D HA 0.163 4.804 4.640 0.002 0.000 0.225 204 D C 0.968 177.265 176.300 -0.006 0.000 1.081 204 D CA -0.226 53.761 54.000 -0.021 0.000 0.864 204 D CB 1.009 41.773 40.800 -0.060 0.000 1.040 204 D HN 0.473 nan 8.370 nan 0.000 0.517 205 S N 3.189 118.892 115.700 0.004 0.000 2.444 205 S HA -0.245 4.226 4.470 0.002 0.000 0.244 205 S C 1.505 176.109 174.600 0.006 0.000 1.025 205 S CA 1.066 59.272 58.200 0.009 0.000 0.995 205 S CB 0.090 63.292 63.200 0.004 0.000 0.781 205 S HN 0.354 nan 8.310 nan 0.000 0.496 206 K N 0.362 120.761 120.400 -0.002 0.000 2.356 206 K HA 0.374 4.696 4.320 0.002 0.000 0.195 206 K C 0.509 177.111 176.600 0.004 0.000 1.037 206 K CA 0.048 56.335 56.287 -0.000 0.000 1.014 206 K CB -0.035 32.463 32.500 -0.004 0.000 0.815 206 K HN 0.377 nan 8.250 nan 0.000 0.507 207 L N 1.733 122.950 121.223 -0.010 0.000 2.468 207 L HA 0.143 4.484 4.340 0.002 0.000 0.254 207 L C 0.438 177.360 176.870 0.086 0.000 1.171 207 L CA -0.787 54.049 54.840 -0.006 0.000 0.809 207 L CB 0.431 42.398 42.059 -0.154 0.000 1.155 207 L HN 0.283 nan 8.230 nan 0.000 0.473 208 D N -0.986 119.507 120.400 0.154 0.000 2.313 208 D HA -0.087 4.554 4.640 0.002 0.000 0.247 208 D C 0.608 177.096 176.300 0.312 0.000 1.094 208 D CA -0.531 53.596 54.000 0.213 0.000 0.925 208 D CB 1.279 42.196 40.800 0.196 0.000 1.188 208 D HN 0.615 nan 8.370 nan 0.000 0.430 209 W N 2.091 123.485 121.300 0.155 0.000 2.318 209 W HA -0.257 4.405 4.660 0.002 0.000 0.313 209 W C 2.284 178.900 176.519 0.162 0.000 1.221 209 W CA 2.455 59.906 57.345 0.176 0.000 1.266 209 W CB -0.467 29.170 29.460 0.295 0.000 1.150 209 W HN 0.465 nan 8.180 nan 0.000 0.496 210 S N -1.800 114.093 115.700 0.322 0.000 2.383 210 S HA -0.283 4.188 4.470 0.002 0.000 0.227 210 S C 1.652 176.327 174.600 0.124 0.000 1.026 210 S CA 1.547 59.821 58.200 0.123 0.000 0.981 210 S CB -1.083 62.175 63.200 0.097 0.000 0.818 210 S HN 0.585 nan 8.310 nan 0.000 0.472 211 H N 1.432 120.534 119.070 0.053 0.000 2.353 211 H HA -0.015 4.543 4.556 0.002 0.000 0.300 211 H C 2.111 177.460 175.328 0.035 0.000 1.090 211 H CA 1.365 57.429 56.048 0.027 0.000 1.327 211 H CB -0.143 29.644 29.762 0.041 0.000 1.383 211 H HN 0.417 nan 8.280 nan 0.000 0.508 212 N N -0.580 118.214 118.700 0.157 0.000 2.223 212 N HA -0.158 4.583 4.740 0.002 0.000 0.185 212 N C 1.524 177.099 175.510 0.109 0.000 1.016 212 N CA 0.622 53.715 53.050 0.072 0.000 0.863 212 N CB -0.040 38.486 38.487 0.065 0.000 0.983 212 N HN 0.216 nan 8.380 nan 0.000 0.429 213 F N 1.870 121.743 119.950 -0.128 0.000 2.084 213 F HA -0.141 4.387 4.527 0.002 0.000 0.296 213 F C 2.659 178.400 175.800 -0.099 0.000 1.111 213 F CA 1.644 59.518 58.000 -0.210 0.000 1.224 213 F CB -1.247 37.504 39.000 -0.415 0.000 0.991 213 F HN 0.042 nan 8.300 nan 0.000 0.471 214 T N -1.793 112.690 114.554 -0.119 0.000 2.788 214 T HA -0.210 4.141 4.350 0.002 0.000 0.268 214 T C 1.824 176.558 174.700 0.058 0.000 1.044 214 T CA 1.758 63.782 62.100 -0.127 0.000 1.139 214 T CB -1.131 67.691 68.868 -0.077 0.000 0.867 214 T HN 0.418 nan 8.240 nan 0.000 0.454 215 N N 1.228 119.997 118.700 0.115 0.000 2.058 215 N HA -0.017 4.724 4.740 0.002 0.000 0.191 215 N C 2.047 177.604 175.510 0.079 0.000 1.037 215 N CA 1.670 54.783 53.050 0.106 0.000 0.848 215 N CB -0.368 38.160 38.487 0.069 0.000 1.021 215 N HN 0.385 nan 8.380 nan 0.000 0.422 216 M N 0.402 120.050 119.600 0.081 0.000 2.279 216 M HA -0.101 4.380 4.480 0.002 0.000 0.264 216 M C 1.708 178.063 176.300 0.092 0.000 1.062 216 M CA 1.084 56.441 55.300 0.095 0.000 1.099 216 M CB -0.170 32.505 32.600 0.125 0.000 1.394 216 M HN 0.179 nan 8.290 nan 0.000 0.426 217 L N -0.483 120.751 121.223 0.019 0.000 2.240 217 L HA 0.046 4.387 4.340 0.002 0.000 0.211 217 L C 1.409 178.392 176.870 0.188 0.000 1.106 217 L CA 0.812 55.648 54.840 -0.006 0.000 0.793 217 L CB -0.330 41.528 42.059 -0.335 0.000 0.927 217 L HN 0.619 nan 8.230 nan 0.000 0.446 218 G N -1.543 107.350 108.800 0.155 0.000 2.135 218 G HA2 -0.259 3.702 3.960 0.002 0.000 0.183 218 G HA3 -0.259 3.702 3.960 0.002 0.000 0.183 218 G C -0.383 174.516 174.900 -0.002 0.000 1.004 218 G CA -0.667 44.480 45.100 0.079 0.000 0.677 218 G HN 0.145 nan 8.290 nan 0.000 0.512 219 Y N 0.695 120.987 120.300 -0.013 0.000 2.331 219 Y HA 0.545 5.096 4.550 0.002 0.000 0.338 219 Y C 1.580 177.514 175.900 0.057 0.000 0.992 219 Y CA 0.011 58.110 58.100 -0.003 0.000 1.121 219 Y CB 2.092 40.575 38.460 0.038 0.000 1.184 219 Y HN 0.235 nan 8.280 nan 0.000 0.469 220 T N -2.772 111.852 114.554 0.117 0.000 2.971 220 T HA 0.054 4.406 4.350 0.002 0.000 0.252 220 T C 0.247 175.002 174.700 0.091 0.000 1.022 220 T CA -0.185 61.973 62.100 0.097 0.000 0.980 220 T CB 0.033 68.931 68.868 0.050 0.000 1.044 220 T HN 0.455 nan 8.240 nan 0.000 0.501 221 D N 3.597 124.066 120.400 0.114 0.000 2.450 221 D HA 0.106 4.747 4.640 0.002 0.000 0.247 221 D C -1.383 174.965 176.300 0.081 0.000 1.162 221 D CA -1.824 52.242 54.000 0.111 0.000 0.879 221 D CB 1.780 42.678 40.800 0.165 0.000 1.163 221 D HN 0.072 nan 8.370 nan 0.000 0.472 222 P HA -0.105 nan 4.420 nan 0.000 0.223 222 P C 1.080 178.337 177.300 -0.072 0.000 1.151 222 P CA 0.679 63.747 63.100 -0.053 0.000 0.787 222 P CB 0.490 32.165 31.700 -0.042 0.000 0.788 223 Q N -1.127 118.656 119.800 -0.027 0.000 2.119 223 Q HA -0.078 4.263 4.340 0.002 0.000 0.201 223 Q C 1.802 177.644 176.000 -0.263 0.000 0.972 223 Q CA 1.157 56.903 55.803 -0.095 0.000 0.847 223 Q CB -1.242 27.519 28.738 0.039 0.000 0.903 223 Q HN 0.145 nan 8.270 nan 0.000 0.433 224 F N 0.195 119.852 119.950 -0.489 0.000 2.206 224 F HA -0.106 4.422 4.527 0.002 0.000 0.298 224 F C 1.894 177.461 175.800 -0.388 0.000 1.090 224 F CA 1.588 59.209 58.000 -0.632 0.000 1.323 224 F CB -0.518 38.255 39.000 -0.377 0.000 1.028 224 F HN 0.010 nan 8.300 nan 0.000 0.492 225 T N 0.219 114.598 114.554 -0.291 0.000 2.720 225 T HA -0.199 4.152 4.350 0.002 0.000 0.268 225 T C 1.846 176.347 174.700 -0.331 0.000 1.037 225 T CA 1.704 63.590 62.100 -0.357 0.000 1.144 225 T CB -0.282 68.382 68.868 -0.340 0.000 0.864 225 T HN 0.301 nan 8.240 nan 0.000 0.444 226 E N 0.617 120.672 120.200 -0.241 0.000 2.077 226 E HA -0.081 4.271 4.350 0.002 0.000 0.193 226 E C 2.272 178.776 176.600 -0.160 0.000 0.989 226 E CA 0.766 57.084 56.400 -0.135 0.000 0.800 226 E CB -0.379 29.286 29.700 -0.058 0.000 0.746 226 E HN 0.306 nan 8.360 nan 0.000 0.452 227 L N 0.778 121.818 121.223 -0.306 0.000 2.042 227 L HA -0.176 4.165 4.340 0.002 0.000 0.210 227 L C 2.231 178.821 176.870 -0.467 0.000 1.076 227 L CA 1.620 56.138 54.840 -0.537 0.000 0.749 227 L CB -0.409 41.255 42.059 -0.658 0.000 0.893 227 L HN 0.074 nan 8.230 nan 0.000 0.432 228 M N -0.641 118.609 119.600 -0.583 0.000 2.117 228 M HA -0.169 4.312 4.480 0.002 0.000 0.262 228 M C 2.407 178.602 176.300 -0.175 0.000 1.065 228 M CA 1.600 56.616 55.300 -0.473 0.000 1.114 228 M CB -0.835 31.407 32.600 -0.597 0.000 1.361 228 M HN 0.344 nan 8.290 nan 0.000 0.408 229 R N -0.253 120.169 120.500 -0.130 0.000 2.091 229 R HA -0.188 4.154 4.340 0.002 0.000 0.238 229 R C 2.159 178.473 176.300 0.024 0.000 1.136 229 R CA 1.264 57.363 56.100 -0.002 0.000 0.959 229 R CB -0.879 29.424 30.300 0.006 0.000 0.856 229 R HN 0.246 nan 8.270 nan 0.000 0.437 230 L N 0.113 121.318 121.223 -0.030 0.000 2.017 230 L HA -0.196 4.146 4.340 0.002 0.000 0.208 230 L C 2.247 179.125 176.870 0.014 0.000 1.073 230 L CA 1.663 56.485 54.840 -0.030 0.000 0.745 230 L CB -0.740 41.248 42.059 -0.119 0.000 0.894 230 L HN 0.079 nan 8.230 nan 0.000 0.432 231 Y N -0.029 120.187 120.300 -0.140 0.000 2.097 231 Y HA -0.244 4.307 4.550 0.002 0.000 0.282 231 Y C 2.243 178.183 175.900 0.066 0.000 1.152 231 Y CA 2.169 60.231 58.100 -0.063 0.000 1.136 231 Y CB -0.491 37.830 38.460 -0.232 0.000 0.975 231 Y HN 0.193 nan 8.280 nan 0.000 0.498 232 L N -1.164 120.264 121.223 0.342 0.000 2.201 232 L HA -0.200 4.141 4.340 0.002 0.000 0.212 232 L C 2.263 179.280 176.870 0.245 0.000 1.105 232 L CA 1.579 56.613 54.840 0.323 0.000 0.775 232 L CB -0.827 41.422 42.059 0.317 0.000 0.913 232 L HN 0.204 nan 8.230 nan 0.000 0.440 233 T N -0.134 114.513 114.554 0.155 0.000 2.809 233 T HA -0.082 4.269 4.350 0.002 0.000 0.260 233 T C 1.893 176.593 174.700 -0.001 0.000 1.039 233 T CA 0.965 63.102 62.100 0.061 0.000 1.141 233 T CB 0.008 68.887 68.868 0.019 0.000 0.869 233 T HN 0.248 nan 8.240 nan 0.000 0.437 234 I N 0.320 120.900 120.570 0.018 0.000 2.546 234 I HA -0.130 4.042 4.170 0.002 0.000 0.255 234 I C 1.360 177.424 176.117 -0.087 0.000 1.163 234 I CA 1.409 62.690 61.300 -0.031 0.000 1.457 234 I CB -0.018 37.887 38.000 -0.159 0.000 1.092 234 I HN 0.313 nan 8.210 nan 0.000 0.434 235 H N -0.530 118.470 119.070 -0.118 0.000 2.526 235 H HA 0.179 4.736 4.556 0.002 0.000 0.274 235 H C 2.140 177.583 175.328 0.192 0.000 0.999 235 H CA 0.244 56.210 56.048 -0.136 0.000 1.157 235 H CB 0.272 29.770 29.762 -0.441 0.000 1.407 235 H HN 0.159 nan 8.280 nan 0.000 0.568 236 S N 0.101 115.987 115.700 0.310 0.000 2.389 236 S HA -0.171 4.301 4.470 0.002 0.000 0.229 236 S C 0.639 175.502 174.600 0.437 0.000 1.048 236 S CA 1.929 60.324 58.200 0.324 0.000 1.117 236 S CB -0.036 63.240 63.200 0.127 0.000 1.020 236 S HN 0.512 nan 8.310 nan 0.000 0.430 237 D N -2.527 118.216 120.400 0.572 0.000 2.609 237 D HA 0.405 5.046 4.640 0.002 0.000 0.239 237 D C -1.012 175.638 176.300 0.584 0.000 1.229 237 D CA -0.493 53.858 54.000 0.584 0.000 0.808 237 D CB 1.128 42.298 40.800 0.616 0.000 1.448 237 D HN 0.203 nan 8.370 nan 0.000 0.433 238 H N 2.024 121.258 119.070 0.274 0.000 3.080 238 H HA 0.177 4.734 4.556 0.002 0.000 0.211 238 H C -0.620 174.727 175.328 0.032 0.000 1.359 238 H CA 0.030 56.157 56.048 0.133 0.000 1.322 238 H CB 0.414 30.288 29.762 0.185 0.000 2.164 238 H HN 0.721 nan 8.280 nan 0.000 0.526 239 E N -1.319 118.882 120.200 0.001 0.000 9.227 239 E HA -0.190 4.162 4.350 0.002 0.000 0.395 239 E C 0.009 176.202 176.600 -0.678 0.000 1.429 239 E CA 0.961 57.270 56.400 -0.152 0.000 2.482 239 E CB -1.128 28.471 29.700 -0.168 0.000 1.056 239 E HN 0.440 nan 8.360 nan 0.000 0.417 240 G N -0.385 107.732 108.800 -1.139 0.000 3.088 240 G HA2 0.330 4.291 3.960 0.002 0.000 0.217 240 G HA3 0.330 4.291 3.960 0.002 0.000 0.217 240 G C 0.966 175.528 174.900 -0.564 0.000 1.159 240 G CA 0.370 44.622 45.100 -1.413 0.000 0.760 240 G HN 0.785 nan 8.290 nan 0.000 0.550 241 G N 0.752 109.314 108.800 -0.398 0.000 2.712 241 G HA2 -0.011 3.951 3.960 0.002 0.000 0.212 241 G HA3 -0.011 3.951 3.960 0.002 0.000 0.212 241 G C 0.758 175.539 174.900 -0.199 0.000 1.142 241 G CA 0.055 44.964 45.100 -0.319 0.000 0.789 241 G HN 0.609 nan 8.290 nan 0.000 0.535 242 N N -0.154 118.462 118.700 -0.141 0.000 2.453 242 N HA 0.141 4.882 4.740 0.002 0.000 0.253 242 N C 1.179 176.622 175.510 -0.112 0.000 1.252 242 N CA -0.110 52.868 53.050 -0.121 0.000 0.917 242 N CB 1.216 39.732 38.487 0.048 0.000 1.117 242 N HN -0.161 nan 8.380 nan 0.000 0.442 243 V N 0.826 120.549 119.914 -0.318 0.000 2.278 243 V HA -0.343 3.779 4.120 0.002 0.000 0.251 243 V C 2.394 178.511 176.094 0.038 0.000 1.062 243 V CA 2.524 64.729 62.300 -0.159 0.000 1.038 243 V CB -1.350 30.314 31.823 -0.265 0.000 0.646 243 V HN 0.919 nan 8.190 nan 0.000 0.447 244 S N 1.260 117.076 115.700 0.193 0.000 2.344 244 S HA -0.173 4.298 4.470 0.002 0.000 0.217 244 S C 2.207 176.894 174.600 0.146 0.000 1.033 244 S CA 1.345 59.639 58.200 0.156 0.000 1.017 244 S CB -0.994 62.271 63.200 0.108 0.000 0.941 244 S HN 0.642 nan 8.310 nan 0.000 0.430 245 A N 2.201 125.124 122.820 0.172 0.000 1.884 245 A HA -0.284 4.037 4.320 0.002 0.000 0.219 245 A C 2.229 179.941 177.584 0.214 0.000 1.197 245 A CA 2.132 54.274 52.037 0.176 0.000 0.637 245 A CB -1.700 17.288 19.000 -0.019 0.000 0.827 245 A HN 0.821 nan 8.150 nan 0.000 0.450 246 H N -1.159 117.912 119.070 0.002 0.000 2.353 246 H HA -0.119 4.438 4.556 0.002 0.000 0.300 246 H C 2.182 177.568 175.328 0.097 0.000 1.090 246 H CA 1.628 57.686 56.048 0.017 0.000 1.327 246 H CB 0.111 29.837 29.762 -0.061 0.000 1.383 246 H HN 0.477 nan 8.280 nan 0.000 0.508 247 T N -0.136 114.432 114.554 0.023 0.000 2.746 247 T HA -0.195 4.156 4.350 0.002 0.000 0.267 247 T C 2.360 177.085 174.700 0.040 0.000 1.039 247 T CA 1.636 63.704 62.100 -0.054 0.000 1.142 247 T CB -0.376 68.467 68.868 -0.041 0.000 0.866 247 T HN 0.553 nan 8.240 nan 0.000 0.444 248 S N 0.846 116.620 115.700 0.123 0.000 2.382 248 S HA -0.209 4.262 4.470 0.002 0.000 0.228 248 S C 1.879 176.594 174.600 0.192 0.000 1.027 248 S CA 1.653 59.947 58.200 0.157 0.000 0.991 248 S CB -0.727 62.608 63.200 0.225 0.000 0.823 248 S HN 0.717 nan 8.310 nan 0.000 0.469 249 H N 1.069 120.246 119.070 0.178 0.000 2.326 249 H HA 0.061 4.618 4.556 0.002 0.000 0.301 249 H C 2.052 177.471 175.328 0.151 0.000 1.081 249 H CA 1.651 57.834 56.048 0.225 0.000 1.334 249 H CB -0.348 29.619 29.762 0.342 0.000 1.385 249 H HN 0.381 nan 8.280 nan 0.000 0.504 250 L N -0.099 121.259 121.223 0.224 0.000 2.027 250 L HA -0.091 4.250 4.340 0.002 0.000 0.206 250 L C 2.121 179.011 176.870 0.034 0.000 1.074 250 L CA 1.380 56.277 54.840 0.095 0.000 0.745 250 L CB -0.721 41.287 42.059 -0.086 0.000 0.898 250 L HN 0.228 nan 8.230 nan 0.000 0.433 251 V N 0.425 120.351 119.914 0.020 0.000 2.358 251 V HA -0.154 3.967 4.120 0.002 0.000 0.246 251 V C 2.652 178.746 176.094 0.001 0.000 1.047 251 V CA 1.731 64.037 62.300 0.009 0.000 1.035 251 V CB -1.570 30.260 31.823 0.012 0.000 0.658 251 V HN 0.641 nan 8.190 nan 0.000 0.452 252 G N 0.141 108.939 108.800 -0.004 0.000 2.422 252 G HA2 -0.291 3.670 3.960 0.002 0.000 0.218 252 G HA3 -0.291 3.670 3.960 0.002 0.000 0.218 252 G C 1.824 176.685 174.900 -0.066 0.000 1.146 252 G CA 1.297 46.366 45.100 -0.053 0.000 0.769 252 G HN 0.646 nan 8.290 nan 0.000 0.547 253 S N 0.688 116.359 115.700 -0.048 0.000 2.493 253 S HA 0.191 4.662 4.470 0.002 0.000 0.243 253 S C 2.118 176.729 174.600 0.018 0.000 0.991 253 S CA 1.345 59.540 58.200 -0.009 0.000 0.957 253 S CB -0.203 63.012 63.200 0.025 0.000 0.756 253 S HN 0.605 nan 8.310 nan 0.000 0.521 254 A N 0.665 123.484 122.820 -0.001 0.000 2.307 254 A HA 0.604 4.926 4.320 0.002 0.000 0.218 254 A C 1.221 178.784 177.584 -0.035 0.000 1.228 254 A CA 0.128 52.164 52.037 -0.001 0.000 0.857 254 A CB -0.593 18.407 19.000 -0.001 0.000 0.897 254 A HN 0.781 nan 8.150 nan 0.000 0.495 255 L N -1.309 119.881 121.223 -0.054 0.000 4.613 255 L HA -0.180 4.162 4.340 0.002 0.000 0.409 255 L C 0.265 177.122 176.870 -0.022 0.000 1.100 255 L CA 0.096 54.884 54.840 -0.087 0.000 1.029 255 L CB -2.682 39.274 42.059 -0.172 0.000 2.137 255 L HN 0.293 nan 8.230 nan 0.000 0.713 256 S N 0.633 116.320 115.700 -0.022 0.000 2.564 256 S HA 0.268 4.740 4.470 0.002 0.000 0.278 256 S C 0.502 175.138 174.600 0.060 0.000 1.333 256 S CA -0.014 58.204 58.200 0.030 0.000 1.048 256 S CB 1.186 64.399 63.200 0.022 0.000 0.900 256 S HN 0.467 nan 8.310 nan 0.000 0.505 257 D N 2.839 123.347 120.400 0.180 0.000 2.335 257 D HA 0.071 4.713 4.640 0.002 0.000 0.236 257 D C -1.947 174.404 176.300 0.085 0.000 1.297 257 D CA -0.894 53.237 54.000 0.219 0.000 0.906 257 D CB 0.032 41.068 40.800 0.394 0.000 1.164 257 D HN 0.128 nan 8.370 nan 0.000 0.469 258 P HA -0.095 nan 4.420 nan 0.000 0.221 258 P C 0.688 177.965 177.300 -0.038 0.000 1.150 258 P CA 1.093 64.147 63.100 -0.077 0.000 0.800 258 P CB -0.111 31.460 31.700 -0.215 0.000 0.787 259 Y N -0.660 119.708 120.300 0.114 0.000 2.163 259 Y HA -0.108 4.443 4.550 0.002 0.000 0.288 259 Y C 2.376 178.370 175.900 0.156 0.000 1.136 259 Y CA 1.105 59.289 58.100 0.140 0.000 1.147 259 Y CB -1.293 37.231 38.460 0.107 0.000 0.987 259 Y HN -0.175 nan 8.280 nan 0.000 0.509 260 L N -0.528 120.853 121.223 0.263 0.000 2.046 260 L HA -0.232 4.110 4.340 0.002 0.000 0.208 260 L C 2.611 179.551 176.870 0.116 0.000 1.077 260 L CA 1.790 56.727 54.840 0.162 0.000 0.747 260 L CB -0.936 41.197 42.059 0.123 0.000 0.896 260 L HN 0.333 nan 8.230 nan 0.000 0.432 261 S N -0.117 115.652 115.700 0.114 0.000 2.368 261 S HA -0.240 4.232 4.470 0.002 0.000 0.225 261 S C 1.993 176.665 174.600 0.121 0.000 1.030 261 S CA 0.966 59.222 58.200 0.094 0.000 0.999 261 S CB -0.875 62.369 63.200 0.073 0.000 0.844 261 S HN 0.348 nan 8.310 nan 0.000 0.459 262 F N 3.096 123.059 119.950 0.022 0.000 2.102 262 F HA 0.142 4.671 4.527 0.002 0.000 0.298 262 F C 2.607 178.429 175.800 0.037 0.000 1.105 262 F CA 0.826 58.841 58.000 0.024 0.000 1.239 262 F CB -1.027 37.968 39.000 -0.009 0.000 0.991 262 F HN 0.296 nan 8.300 nan 0.000 0.474 263 A N 0.359 123.162 122.820 -0.028 0.000 1.940 263 A HA -0.090 4.231 4.320 0.002 0.000 0.219 263 A C 2.417 179.912 177.584 -0.149 0.000 1.176 263 A CA 1.860 53.839 52.037 -0.097 0.000 0.631 263 A CB -1.576 17.463 19.000 0.064 0.000 0.814 263 A HN 0.502 nan 8.150 nan 0.000 0.446 264 A N -0.133 122.636 122.820 -0.084 0.000 1.902 264 A HA 0.142 4.464 4.320 0.002 0.000 0.217 264 A C 2.486 179.999 177.584 -0.119 0.000 1.181 264 A CA 2.062 54.054 52.037 -0.075 0.000 0.623 264 A CB -0.988 17.994 19.000 -0.031 0.000 0.818 264 A HN 1.106 nan 8.150 nan 0.000 0.443 265 A N -0.967 121.752 122.820 -0.169 0.000 1.972 265 A HA -0.121 4.200 4.320 0.002 0.000 0.219 265 A C 2.138 179.565 177.584 -0.260 0.000 1.169 265 A CA 1.896 53.825 52.037 -0.180 0.000 0.635 265 A CB -0.456 18.439 19.000 -0.174 0.000 0.810 265 A HN 0.439 nan 8.150 nan 0.000 0.446 266 M N 0.048 119.411 119.600 -0.395 0.000 2.175 266 M HA -0.114 4.368 4.480 0.002 0.000 0.264 266 M C 1.673 177.851 176.300 -0.203 0.000 1.063 266 M CA 1.175 56.264 55.300 -0.352 0.000 1.119 266 M CB -1.760 30.607 32.600 -0.389 0.000 1.377 266 M HN 0.545 nan 8.290 nan 0.000 0.415 267 N N -0.060 118.547 118.700 -0.156 0.000 2.223 267 N HA -0.105 4.636 4.740 0.002 0.000 0.185 267 N C 1.797 177.256 175.510 -0.085 0.000 1.016 267 N CA 1.051 54.037 53.050 -0.106 0.000 0.863 267 N CB -0.145 38.295 38.487 -0.079 0.000 0.983 267 N HN 0.429 nan 8.380 nan 0.000 0.429 268 G N 1.412 110.170 108.800 -0.071 0.000 2.394 268 G HA2 -0.165 3.796 3.960 0.002 0.000 0.215 268 G HA3 -0.165 3.796 3.960 0.002 0.000 0.215 268 G C 1.480 176.403 174.900 0.038 0.000 1.165 268 G CA 0.080 45.181 45.100 0.002 0.000 0.784 268 G HN 0.122 nan 8.290 nan 0.000 0.535 269 L N 1.364 122.530 121.223 -0.096 0.000 2.127 269 L HA 0.114 4.455 4.340 0.002 0.000 0.211 269 L C 2.826 179.544 176.870 -0.254 0.000 1.089 269 L CA 1.835 56.475 54.840 -0.334 0.000 0.757 269 L CB -0.265 41.513 42.059 -0.469 0.000 0.899 269 L HN 0.217 nan 8.230 nan 0.000 0.434 270 A N -0.743 121.979 122.820 -0.163 0.000 2.235 270 A HA 0.285 4.606 4.320 0.002 0.000 0.208 270 A C 1.333 178.851 177.584 -0.109 0.000 1.172 270 A CA 0.445 52.395 52.037 -0.146 0.000 0.786 270 A CB -1.342 17.560 19.000 -0.162 0.000 0.804 270 A HN 0.416 nan 8.150 nan 0.000 0.479 271 G N -0.027 108.740 108.800 -0.055 0.000 2.406 271 G HA2 0.398 4.360 3.960 0.002 0.000 0.251 271 G HA3 0.398 4.360 3.960 0.002 0.000 0.251 271 G C -1.380 173.525 174.900 0.009 0.000 1.271 271 G CA -0.910 44.182 45.100 -0.013 0.000 0.859 271 G HN 0.085 nan 8.290 nan 0.000 0.540 272 P HA -0.087 nan 4.420 nan 0.000 0.219 272 P C 1.661 178.987 177.300 0.043 0.000 1.146 272 P CA 0.787 63.900 63.100 0.021 0.000 0.808 272 P CB 0.242 31.949 31.700 0.012 0.000 0.779 273 L N -3.346 117.906 121.223 0.047 0.000 2.558 273 L HA 0.050 4.391 4.340 0.002 0.000 0.225 273 L C 1.778 178.717 176.870 0.114 0.000 1.128 273 L CA 0.395 55.266 54.840 0.051 0.000 0.868 273 L CB -0.465 41.603 42.059 0.015 0.000 1.006 273 L HN 0.155 nan 8.230 nan 0.000 0.454 274 H N -0.556 118.507 119.070 -0.011 0.000 3.892 274 H HA 0.306 4.864 4.556 0.002 0.000 0.288 274 H C 1.524 176.867 175.328 0.024 0.000 1.526 274 H CA 0.341 56.380 56.048 -0.015 0.000 1.387 274 H CB -0.082 29.644 29.762 -0.060 0.000 0.780 274 H HN -0.146 nan 8.280 nan 0.000 0.713 275 G N 0.560 109.109 108.800 -0.418 0.000 2.462 275 G HA2 -0.222 3.739 3.960 0.002 0.000 0.220 275 G HA3 -0.222 3.739 3.960 0.002 0.000 0.220 275 G C 1.488 176.410 174.900 0.036 0.000 1.121 275 G CA 0.977 45.892 45.100 -0.308 0.000 0.758 275 G HN 0.375 nan 8.290 nan 0.000 0.559 276 L N 1.191 122.416 121.223 0.005 0.000 2.349 276 L HA 0.069 4.410 4.340 0.002 0.000 0.220 276 L C 3.033 179.983 176.870 0.134 0.000 1.130 276 L CA 1.434 56.315 54.840 0.069 0.000 0.791 276 L CB -0.417 41.648 42.059 0.010 0.000 0.918 276 L HN 0.261 nan 8.230 nan 0.000 0.444 277 A N -0.693 122.212 122.820 0.141 0.000 1.948 277 A HA -0.335 3.987 4.320 0.002 0.000 0.220 277 A C 2.131 179.841 177.584 0.210 0.000 1.177 277 A CA 2.140 54.271 52.037 0.156 0.000 0.636 277 A CB -0.953 18.133 19.000 0.144 0.000 0.815 277 A HN 0.670 nan 8.150 nan 0.000 0.449 278 N N -0.969 117.893 118.700 0.270 0.000 2.103 278 N HA -0.355 4.386 4.740 0.002 0.000 0.200 278 N C 2.122 177.859 175.510 0.379 0.000 1.016 278 N CA 2.184 55.434 53.050 0.334 0.000 0.890 278 N CB -0.198 38.525 38.487 0.394 0.000 1.075 278 N HN 0.775 nan 8.380 nan 0.000 0.506 279 Q N 0.577 120.577 119.800 0.333 0.000 2.016 279 Q HA -0.187 4.155 4.340 0.002 0.000 0.200 279 Q C 1.658 177.786 176.000 0.215 0.000 0.978 279 Q CA 1.316 57.272 55.803 0.255 0.000 0.833 279 Q CB 0.016 28.872 28.738 0.198 0.000 0.895 279 Q HN 0.427 nan 8.270 nan 0.000 0.427 280 E N 0.206 120.523 120.200 0.195 0.000 2.085 280 E HA -0.175 4.177 4.350 0.002 0.000 0.194 280 E C 2.244 178.991 176.600 0.245 0.000 0.994 280 E CA 1.459 57.970 56.400 0.186 0.000 0.801 280 E CB -0.445 29.331 29.700 0.127 0.000 0.743 280 E HN 0.268 nan 8.360 nan 0.000 0.453 281 V N 1.584 121.644 119.914 0.243 0.000 2.380 281 V HA -0.248 3.873 4.120 0.002 0.000 0.251 281 V C 2.477 178.797 176.094 0.376 0.000 1.063 281 V CA 1.529 64.012 62.300 0.304 0.000 1.055 281 V CB -0.507 31.477 31.823 0.269 0.000 0.657 281 V HN 0.116 nan 8.190 nan 0.000 0.455 282 L N -1.310 120.109 121.223 0.327 0.000 2.095 282 L HA -0.062 4.279 4.340 0.002 0.000 0.204 282 L C 2.207 179.218 176.870 0.235 0.000 1.080 282 L CA 1.194 56.211 54.840 0.295 0.000 0.759 282 L CB -0.277 41.981 42.059 0.332 0.000 0.914 282 L HN 0.178 nan 8.230 nan 0.000 0.439 283 L N -1.554 119.799 121.223 0.217 0.000 2.042 283 L HA -0.256 4.086 4.340 0.002 0.000 0.210 283 L C 2.167 179.185 176.870 0.247 0.000 1.076 283 L CA 1.759 56.709 54.840 0.184 0.000 0.749 283 L CB -1.662 40.499 42.059 0.171 0.000 0.893 283 L HN 0.478 nan 8.230 nan 0.000 0.432 284 W N 0.192 121.563 121.300 0.119 0.000 2.363 284 W HA -0.195 4.466 4.660 0.003 0.000 0.296 284 W C 2.397 178.997 176.519 0.136 0.000 1.212 284 W CA 1.348 58.776 57.345 0.140 0.000 1.260 284 W CB -0.146 29.406 29.460 0.153 0.000 1.131 284 W HN 0.052 nan 8.180 nan 0.000 0.530 285 L N -0.243 121.133 121.223 0.255 0.000 2.141 285 L HA -0.202 4.140 4.340 0.002 0.000 0.209 285 L C 2.550 179.385 176.870 -0.059 0.000 1.094 285 L CA 1.385 56.253 54.840 0.046 0.000 0.763 285 L CB -0.949 41.221 42.059 0.185 0.000 0.908 285 L HN -0.159 nan 8.230 nan 0.000 0.437 286 S N -0.814 114.896 115.700 0.016 0.000 2.345 286 S HA -0.171 4.301 4.470 0.002 0.000 0.220 286 S C 1.935 176.495 174.600 -0.066 0.000 1.031 286 S CA 0.888 59.083 58.200 -0.009 0.000 0.996 286 S CB -0.188 63.031 63.200 0.031 0.000 0.882 286 S HN 0.388 nan 8.310 nan 0.000 0.445 287 Q N 0.658 120.422 119.800 -0.059 0.000 2.077 287 Q HA -0.145 4.196 4.340 0.002 0.000 0.206 287 Q C 2.307 178.188 176.000 -0.198 0.000 0.989 287 Q CA 1.075 56.833 55.803 -0.075 0.000 0.853 287 Q CB -0.831 27.899 28.738 -0.013 0.000 0.907 287 Q HN 0.405 nan 8.270 nan 0.000 0.418 288 L N 1.433 122.423 121.223 -0.389 0.000 1.997 288 L HA -0.257 4.084 4.340 0.002 0.000 0.216 288 L C 2.212 178.804 176.870 -0.463 0.000 1.074 288 L CA 1.961 56.368 54.840 -0.721 0.000 0.763 288 L CB -1.054 40.435 42.059 -0.950 0.000 0.890 288 L HN 0.249 nan 8.230 nan 0.000 0.434 289 Q N -0.646 118.983 119.800 -0.286 0.000 2.061 289 Q HA -0.272 4.069 4.340 0.002 0.000 0.204 289 Q C 2.335 178.249 176.000 -0.143 0.000 0.984 289 Q CA 2.070 57.763 55.803 -0.183 0.000 0.846 289 Q CB -0.192 28.483 28.738 -0.105 0.000 0.902 289 Q HN 0.516 nan 8.270 nan 0.000 0.421 290 K N 0.290 120.620 120.400 -0.118 0.000 2.127 290 K HA -0.218 4.103 4.320 0.002 0.000 0.208 290 K C 1.361 177.912 176.600 -0.081 0.000 1.047 290 K CA 1.853 58.094 56.287 -0.077 0.000 0.927 290 K CB 0.061 32.527 32.500 -0.056 0.000 0.716 290 K HN 0.175 nan 8.250 nan 0.000 0.450 291 D N -0.315 120.013 120.400 -0.120 0.000 2.154 291 D HA -0.036 4.606 4.640 0.002 0.000 0.211 291 D C 1.727 177.966 176.300 -0.101 0.000 0.977 291 D CA 0.676 54.621 54.000 -0.092 0.000 0.869 291 D CB 0.046 40.790 40.800 -0.092 0.000 1.022 291 D HN -0.045 nan 8.370 nan 0.000 0.461 292 L N -0.021 121.099 121.223 -0.172 0.000 2.141 292 L HA 0.126 4.467 4.340 0.002 0.000 0.209 292 L C 1.383 178.190 176.870 -0.105 0.000 1.094 292 L CA 1.328 56.078 54.840 -0.150 0.000 0.763 292 L CB -1.583 40.336 42.059 -0.235 0.000 0.908 292 L HN 0.254 nan 8.230 nan 0.000 0.437 293 G N -1.469 107.267 108.800 -0.107 0.000 2.660 293 G HA2 -0.130 3.831 3.960 0.002 0.000 0.247 293 G HA3 -0.130 3.831 3.960 0.002 0.000 0.247 293 G C 0.636 175.491 174.900 -0.076 0.000 1.328 293 G CA 0.113 45.169 45.100 -0.074 0.000 0.884 293 G HN 0.288 nan 8.290 nan 0.000 0.531 294 A N -1.048 121.742 122.820 -0.051 0.000 1.855 294 A HA 0.292 4.614 4.320 0.002 0.000 0.213 294 A C 1.129 178.688 177.584 -0.040 0.000 1.195 294 A CA 2.253 54.265 52.037 -0.042 0.000 0.610 294 A CB -0.106 18.880 19.000 -0.023 0.000 0.837 294 A HN 0.720 nan 8.150 nan 0.000 0.444 295 D N 0.595 120.976 120.400 -0.033 0.000 2.540 295 D HA 0.528 5.169 4.640 0.002 0.000 0.251 295 D C -0.226 176.056 176.300 -0.031 0.000 1.159 295 D CA 0.151 54.135 54.000 -0.028 0.000 0.974 295 D CB 0.528 41.318 40.800 -0.016 0.000 0.996 295 D HN 0.387 nan 8.370 nan 0.000 0.512 296 A N 1.178 123.972 122.820 -0.043 0.000 2.340 296 A HA 0.517 4.838 4.320 0.002 0.000 0.268 296 A C 0.815 178.384 177.584 -0.026 0.000 1.100 296 A CA -0.550 51.461 52.037 -0.044 0.000 0.803 296 A CB 0.511 19.466 19.000 -0.074 0.000 1.043 296 A HN 0.357 nan 8.150 nan 0.000 0.488 297 S N 1.119 116.811 115.700 -0.014 0.000 2.601 297 S HA 0.240 4.712 4.470 0.002 0.000 0.271 297 S C 0.184 174.787 174.600 0.006 0.000 1.305 297 S CA -0.286 57.913 58.200 -0.002 0.000 1.022 297 S CB 0.936 64.139 63.200 0.005 0.000 0.940 297 S HN 0.589 nan 8.310 nan 0.000 0.525 298 D N 1.357 121.763 120.400 0.010 0.000 2.133 298 D HA -0.142 4.500 4.640 0.002 0.000 0.195 298 D C 1.698 178.018 176.300 0.033 0.000 0.997 298 D CA 1.776 55.787 54.000 0.018 0.000 0.840 298 D CB -0.315 40.496 40.800 0.017 0.000 0.947 298 D HN 0.836 nan 8.370 nan 0.000 0.452 299 E N 0.257 120.478 120.200 0.035 0.000 2.085 299 E HA -0.170 4.182 4.350 0.002 0.000 0.194 299 E C 1.992 178.631 176.600 0.064 0.000 0.994 299 E CA 1.000 57.430 56.400 0.050 0.000 0.801 299 E CB 0.119 29.841 29.700 0.037 0.000 0.743 299 E HN 0.222 nan 8.360 nan 0.000 0.453 300 K N 0.067 120.495 120.400 0.047 0.000 2.097 300 K HA -0.158 4.163 4.320 0.002 0.000 0.205 300 K C 2.115 178.763 176.600 0.079 0.000 1.050 300 K CA 0.612 56.931 56.287 0.053 0.000 0.938 300 K CB -0.099 32.412 32.500 0.018 0.000 0.718 300 K HN 0.036 nan 8.250 nan 0.000 0.442 301 L N 1.428 122.683 121.223 0.053 0.000 1.970 301 L HA -0.185 4.156 4.340 0.002 0.000 0.212 301 L C 2.405 179.354 176.870 0.131 0.000 1.071 301 L CA 1.645 56.526 54.840 0.067 0.000 0.751 301 L CB -0.486 41.592 42.059 0.033 0.000 0.889 301 L HN 0.058 nan 8.230 nan 0.000 0.432 302 R N -0.520 120.040 120.500 0.099 0.000 2.134 302 R HA -0.236 4.105 4.340 0.002 0.000 0.248 302 R C 1.963 178.376 176.300 0.189 0.000 1.143 302 R CA 2.208 58.373 56.100 0.108 0.000 0.957 302 R CB -0.377 30.000 30.300 0.128 0.000 0.867 302 R HN 0.481 nan 8.270 nan 0.000 0.441 303 D N -0.832 119.695 120.400 0.212 0.000 2.084 303 D HA -0.219 4.423 4.640 0.002 0.000 0.194 303 D C 1.648 178.081 176.300 0.222 0.000 0.990 303 D CA 1.302 55.446 54.000 0.240 0.000 0.826 303 D CB -0.647 40.251 40.800 0.164 0.000 0.971 303 D HN 0.317 nan 8.370 nan 0.000 0.453 304 Y N 1.330 121.677 120.300 0.077 0.000 2.193 304 Y HA -0.210 4.341 4.550 0.002 0.000 0.285 304 Y C 2.209 178.161 175.900 0.087 0.000 1.166 304 Y CA 1.189 59.318 58.100 0.050 0.000 1.181 304 Y CB -0.367 38.078 38.460 -0.025 0.000 0.976 304 Y HN -0.088 nan 8.280 nan 0.000 0.520 305 I N -1.404 119.226 120.570 0.099 0.000 2.179 305 I HA -0.343 3.828 4.170 0.002 0.000 0.242 305 I C 2.023 178.037 176.117 -0.171 0.000 1.088 305 I CA 1.732 63.008 61.300 -0.040 0.000 1.357 305 I CB -0.547 37.377 38.000 -0.127 0.000 1.051 305 I HN 0.279 nan 8.210 nan 0.000 0.409 306 W N 1.039 122.322 121.300 -0.027 0.000 2.363 306 W HA -0.191 4.470 4.660 0.002 0.000 0.296 306 W C 2.495 178.976 176.519 -0.064 0.000 1.212 306 W CA 0.649 57.969 57.345 -0.042 0.000 1.260 306 W CB -0.426 29.017 29.460 -0.027 0.000 1.131 306 W HN 0.127 nan 8.180 nan 0.000 0.530 307 N N -0.482 118.286 118.700 0.113 0.000 2.104 307 N HA -0.147 4.595 4.740 0.002 0.000 0.190 307 N C 1.557 177.046 175.510 -0.036 0.000 1.024 307 N CA 2.176 55.231 53.050 0.009 0.000 0.853 307 N CB -1.074 37.343 38.487 -0.118 0.000 1.008 307 N HN 0.054 nan 8.380 nan 0.000 0.424 308 T N 1.867 116.355 114.554 -0.109 0.000 2.777 308 T HA 0.017 4.368 4.350 0.002 0.000 0.266 308 T C 2.122 176.802 174.700 -0.033 0.000 1.040 308 T CA 0.632 62.693 62.100 -0.065 0.000 1.141 308 T CB -0.214 68.649 68.868 -0.009 0.000 0.868 308 T HN 0.130 nan 8.240 nan 0.000 0.444 309 L N 1.010 122.208 121.223 -0.041 0.000 1.994 309 L HA -0.136 4.205 4.340 0.002 0.000 0.208 309 L C 2.330 179.236 176.870 0.059 0.000 1.071 309 L CA 1.624 56.453 54.840 -0.018 0.000 0.745 309 L CB -0.819 41.197 42.059 -0.071 0.000 0.892 309 L HN 0.341 nan 8.230 nan 0.000 0.431 310 N N -0.092 118.676 118.700 0.113 0.000 2.223 310 N HA -0.173 4.569 4.740 0.002 0.000 0.185 310 N C 1.724 177.261 175.510 0.046 0.000 1.016 310 N CA 1.308 54.412 53.050 0.089 0.000 0.863 310 N CB -0.181 38.363 38.487 0.095 0.000 0.983 310 N HN 0.330 nan 8.380 nan 0.000 0.429 311 S N -0.040 115.679 115.700 0.031 0.000 2.595 311 S HA 0.087 4.558 4.470 0.002 0.000 0.235 311 S C 1.537 176.149 174.600 0.019 0.000 0.974 311 S CA 0.350 58.563 58.200 0.021 0.000 0.942 311 S CB -0.534 62.677 63.200 0.018 0.000 0.766 311 S HN 0.488 nan 8.310 nan 0.000 0.536 312 G N 0.674 109.486 108.800 0.018 0.000 2.176 312 G HA2 -0.275 3.686 3.960 0.002 0.000 0.252 312 G HA3 -0.275 3.686 3.960 0.002 0.000 0.252 312 G C 0.009 174.908 174.900 -0.002 0.000 1.024 312 G CA 0.120 45.227 45.100 0.011 0.000 0.755 312 G HN 0.630 nan 8.290 nan 0.000 0.507 313 R N -1.086 119.408 120.500 -0.010 0.000 2.787 313 R HA 0.715 5.056 4.340 0.002 0.000 0.271 313 R C 0.639 176.896 176.300 -0.071 0.000 0.993 313 R CA -0.240 55.844 56.100 -0.028 0.000 0.993 313 R CB 1.955 32.251 30.300 -0.007 0.000 1.155 313 R HN 0.566 nan 8.270 nan 0.000 0.486 314 V N -0.664 119.191 119.914 -0.098 0.000 2.716 314 V HA 0.479 4.600 4.120 0.002 0.000 0.304 314 V C 0.013 175.950 176.094 -0.261 0.000 1.053 314 V CA -0.934 61.280 62.300 -0.144 0.000 0.984 314 V CB 1.675 33.436 31.823 -0.103 0.000 1.021 314 V HN 0.380 nan 8.190 nan 0.000 0.467 315 V N 5.575 125.303 119.914 -0.310 0.000 2.470 315 V HA 0.260 4.381 4.120 0.002 0.000 0.276 315 V C -1.707 174.153 176.094 -0.390 0.000 1.040 315 V CA -0.911 61.079 62.300 -0.517 0.000 1.008 315 V CB 0.523 32.063 31.823 -0.471 0.000 0.990 315 V HN 0.935 nan 8.190 nan 0.000 0.477 316 P HA 0.259 nan 4.420 nan 0.000 0.275 316 P C 0.792 178.098 177.300 0.009 0.000 1.227 316 P CA 0.644 63.604 63.100 -0.234 0.000 0.781 316 P CB 1.101 32.655 31.700 -0.244 0.000 0.906 317 G N 0.662 109.502 108.800 0.067 0.000 2.148 317 G HA2 -0.245 3.716 3.960 0.002 0.000 0.254 317 G HA3 -0.245 3.716 3.960 0.002 0.000 0.254 317 G C -0.494 174.364 174.900 -0.071 0.000 0.981 317 G CA -0.030 45.110 45.100 0.066 0.000 0.670 317 G HN 0.495 nan 8.290 nan 0.000 0.528 318 Y N -0.116 120.174 120.300 -0.017 0.000 2.524 318 Y HA 0.589 5.140 4.550 0.002 0.000 0.344 318 Y C 0.906 176.808 175.900 0.003 0.000 1.012 318 Y CA 0.255 58.342 58.100 -0.023 0.000 1.068 318 Y CB 2.160 40.560 38.460 -0.099 0.000 1.249 318 Y HN 1.245 nan 8.280 nan 0.000 0.468 319 G N 1.828 110.724 108.800 0.161 0.000 2.781 319 G HA2 0.057 4.018 3.960 0.002 0.000 0.683 319 G HA3 0.057 4.018 3.960 0.002 0.000 0.683 319 G C -1.506 173.514 174.900 0.200 0.000 1.390 319 G CA -0.411 44.774 45.100 0.141 0.000 0.850 319 G HN 1.030 nan 8.290 nan 0.000 0.557 320 H N -0.796 118.312 119.070 0.063 0.000 3.020 320 H HA 0.487 5.045 4.556 0.002 0.000 0.303 320 H C 0.909 176.265 175.328 0.047 0.000 1.332 320 H CA 0.267 56.354 56.048 0.067 0.000 1.282 320 H CB 1.224 31.039 29.762 0.088 0.000 1.928 320 H HN 1.336 nan 8.280 nan 0.000 0.519 321 A N 2.551 125.267 122.820 -0.173 0.000 1.968 321 A HA 0.032 4.354 4.320 0.002 0.000 0.217 321 A C 1.370 179.015 177.584 0.101 0.000 1.169 321 A CA 2.062 54.072 52.037 -0.047 0.000 0.638 321 A CB -0.024 18.891 19.000 -0.141 0.000 0.812 321 A HN 0.258 nan 8.150 nan 0.000 0.446 322 V N -1.118 119.006 119.914 0.350 0.000 3.090 322 V HA 0.215 4.337 4.120 0.002 0.000 0.237 322 V C 0.906 177.094 176.094 0.156 0.000 1.209 322 V CA -0.169 62.260 62.300 0.216 0.000 1.209 322 V CB -0.308 31.601 31.823 0.143 0.000 0.971 322 V HN 0.398 nan 8.190 nan 0.000 0.477 323 L N 1.232 122.552 121.223 0.162 0.000 2.485 323 L HA 0.123 4.464 4.340 0.002 0.000 0.275 323 L C 1.354 178.263 176.870 0.066 0.000 1.207 323 L CA 0.320 55.137 54.840 -0.038 0.000 0.855 323 L CB 0.334 42.231 42.059 -0.269 0.000 1.114 323 L HN 0.177 nan 8.230 nan 0.000 0.485 324 R N 1.836 122.360 120.500 0.040 0.000 2.476 324 R HA 0.299 4.640 4.340 0.002 0.000 0.276 324 R C -0.262 176.102 176.300 0.106 0.000 0.941 324 R CA 0.043 56.197 56.100 0.091 0.000 1.088 324 R CB 0.377 30.710 30.300 0.054 0.000 1.216 324 R HN 0.468 nan 8.270 nan 0.000 0.533 325 K N -0.250 120.157 120.400 0.012 0.000 2.283 325 K HA 0.381 4.702 4.320 0.002 0.000 0.257 325 K C -0.388 176.155 176.600 -0.094 0.000 1.066 325 K CA -0.708 55.463 56.287 -0.193 0.000 0.891 325 K CB 0.799 33.144 32.500 -0.258 0.000 1.438 325 K HN -0.285 nan 8.250 nan 0.000 0.464 326 T N 2.031 116.440 114.554 -0.242 0.000 2.908 326 T HA -0.051 4.300 4.350 0.002 0.000 0.301 326 T C -0.023 174.651 174.700 -0.044 0.000 1.019 326 T CA 0.294 62.376 62.100 -0.030 0.000 1.152 326 T CB 0.059 68.922 68.868 -0.007 0.000 0.966 326 T HN 0.257 nan 8.240 nan 0.000 0.540 327 D N 4.337 124.721 120.400 -0.027 0.000 2.401 327 D HA 0.067 4.709 4.640 0.002 0.000 0.254 327 D C -1.194 175.114 176.300 0.013 0.000 1.192 327 D CA -2.121 51.861 54.000 -0.029 0.000 0.885 327 D CB 1.283 42.062 40.800 -0.035 0.000 1.147 327 D HN 0.162 nan 8.370 nan 0.000 0.478 328 P HA -0.161 nan 4.420 nan 0.000 0.217 328 P C 1.120 178.404 177.300 -0.027 0.000 1.148 328 P CA 1.154 64.246 63.100 -0.013 0.000 0.828 328 P CB 0.213 31.899 31.700 -0.024 0.000 0.783 329 R N -1.917 118.546 120.500 -0.061 0.000 2.115 329 R HA -0.153 4.188 4.340 0.002 0.000 0.230 329 R C 2.471 178.687 176.300 -0.140 0.000 1.111 329 R CA 1.117 57.134 56.100 -0.139 0.000 0.976 329 R CB -0.931 29.223 30.300 -0.244 0.000 0.870 329 R HN 0.266 nan 8.270 nan 0.000 0.445 330 Y N 1.651 121.852 120.300 -0.165 0.000 2.133 330 Y HA -0.217 4.335 4.550 0.002 0.000 0.287 330 Y C 2.278 178.076 175.900 -0.171 0.000 1.134 330 Y CA 1.970 59.986 58.100 -0.140 0.000 1.133 330 Y CB -0.415 37.978 38.460 -0.112 0.000 0.987 330 Y HN -0.103 nan 8.280 nan 0.000 0.502 331 T N -0.073 114.499 114.554 0.030 0.000 2.622 331 T HA -0.343 4.008 4.350 0.002 0.000 0.266 331 T C 2.089 176.700 174.700 -0.148 0.000 1.047 331 T CA 1.653 63.731 62.100 -0.035 0.000 1.159 331 T CB -1.337 67.551 68.868 0.034 0.000 0.863 331 T HN 0.679 nan 8.240 nan 0.000 0.422 332 C N 1.646 120.876 119.300 -0.116 0.000 2.375 332 C HA -0.221 4.241 4.460 0.002 0.000 0.274 332 C C 2.767 177.646 174.990 -0.184 0.000 1.190 332 C CA 1.591 60.543 59.018 -0.110 0.000 1.775 332 C CB -1.390 26.295 27.740 -0.092 0.000 2.067 332 C HN 0.587 nan 8.230 nan 0.000 0.463 333 Q N -0.579 119.008 119.800 -0.355 0.000 2.167 333 Q HA -0.156 4.185 4.340 0.002 0.000 0.202 333 Q C 2.519 178.094 176.000 -0.707 0.000 0.970 333 Q CA 1.277 56.769 55.803 -0.519 0.000 0.855 333 Q CB -0.346 27.995 28.738 -0.661 0.000 0.911 333 Q HN 0.725 nan 8.270 nan 0.000 0.438 334 R N 1.052 121.099 120.500 -0.754 0.000 2.075 334 R HA -0.180 4.161 4.340 0.002 0.000 0.232 334 R C 1.647 177.872 176.300 -0.126 0.000 1.126 334 R CA 1.365 57.235 56.100 -0.384 0.000 0.963 334 R CB 0.121 30.337 30.300 -0.140 0.000 0.858 334 R HN 0.114 nan 8.270 nan 0.000 0.435 335 E N -0.029 120.107 120.200 -0.106 0.000 2.058 335 E HA -0.215 4.137 4.350 0.002 0.000 0.194 335 E C 1.525 178.080 176.600 -0.075 0.000 0.997 335 E CA 1.701 58.065 56.400 -0.059 0.000 0.801 335 E CB -0.349 29.330 29.700 -0.035 0.000 0.746 335 E HN 0.352 nan 8.360 nan 0.000 0.450 336 F N 0.296 120.132 119.950 -0.190 0.000 2.171 336 F HA -0.119 4.410 4.527 0.002 0.000 0.300 336 F C 1.963 177.658 175.800 -0.175 0.000 1.090 336 F CA 1.431 59.363 58.000 -0.113 0.000 1.293 336 F CB -0.457 38.523 39.000 -0.035 0.000 1.013 336 F HN 0.064 nan 8.300 nan 0.000 0.486 337 A N 0.396 123.169 122.820 -0.078 0.000 1.873 337 A HA -0.125 4.197 4.320 0.002 0.000 0.215 337 A C 2.095 179.311 177.584 -0.612 0.000 1.186 337 A CA 1.451 53.177 52.037 -0.517 0.000 0.616 337 A CB -1.158 17.151 19.000 -1.151 0.000 0.823 337 A HN 0.357 nan 8.150 nan 0.000 0.442 338 L N -0.245 120.749 121.223 -0.382 0.000 2.051 338 L HA -0.206 4.136 4.340 0.002 0.000 0.214 338 L C 2.264 178.999 176.870 -0.224 0.000 1.076 338 L CA 2.281 57.037 54.840 -0.139 0.000 0.758 338 L CB -1.061 40.991 42.059 -0.012 0.000 0.890 338 L HN 0.414 nan 8.230 nan 0.000 0.433 339 K N -1.893 118.277 120.400 -0.383 0.000 2.098 339 K HA -0.039 4.282 4.320 0.002 0.000 0.203 339 K C 1.772 177.972 176.600 -0.668 0.000 1.051 339 K CA 1.010 56.957 56.287 -0.567 0.000 0.957 339 K CB -0.076 31.949 32.500 -0.793 0.000 0.738 339 K HN 0.457 nan 8.250 nan 0.000 0.447 340 H N -1.050 117.772 119.070 -0.413 0.000 2.750 340 H HA 0.238 4.796 4.556 0.002 0.000 0.263 340 H C 0.047 175.163 175.328 -0.353 0.000 0.964 340 H CA 0.182 56.023 56.048 -0.346 0.000 1.205 340 H CB 0.466 29.994 29.762 -0.390 0.000 1.454 340 H HN 0.000 nan 8.280 nan 0.000 0.503 341 L N -2.807 118.189 121.223 -0.377 0.000 2.928 341 L HA 0.435 4.776 4.340 0.002 0.000 0.318 341 L C -2.307 174.381 176.870 -0.303 0.000 1.305 341 L CA -1.287 53.215 54.840 -0.563 0.000 0.756 341 L CB 1.152 42.484 42.059 -1.212 0.000 1.155 341 L HN -0.204 nan 8.230 nan 0.000 0.561 342 P HA -0.174 nan 4.420 nan 0.000 0.218 342 P C 0.812 178.266 177.300 0.257 0.000 1.146 342 P CA 1.680 64.849 63.100 0.115 0.000 0.820 342 P CB 0.155 31.887 31.700 0.053 0.000 0.778 343 S N -2.322 113.458 115.700 0.134 0.000 2.593 343 S HA 0.140 4.611 4.470 0.002 0.000 0.236 343 S C 0.229 174.918 174.600 0.148 0.000 0.991 343 S CA -0.598 57.684 58.200 0.137 0.000 0.963 343 S CB -0.598 62.655 63.200 0.088 0.000 0.865 343 S HN 0.062 nan 8.310 nan 0.000 0.488 344 D N 3.358 123.864 120.400 0.177 0.000 2.458 344 D HA 0.165 4.806 4.640 0.002 0.000 0.243 344 D C -1.338 175.070 176.300 0.180 0.000 1.146 344 D CA -1.610 52.509 54.000 0.199 0.000 0.877 344 D CB 1.080 42.002 40.800 0.204 0.000 1.176 344 D HN -0.021 nan 8.370 nan 0.000 0.461 345 P HA -0.164 nan 4.420 nan 0.000 0.218 345 P C 1.374 178.713 177.300 0.066 0.000 1.148 345 P CA 1.083 64.226 63.100 0.071 0.000 0.822 345 P CB 0.050 31.780 31.700 0.052 0.000 0.784 346 M N -1.979 117.690 119.600 0.114 0.000 2.156 346 M HA -0.067 4.414 4.480 0.002 0.000 0.264 346 M C 1.977 178.361 176.300 0.140 0.000 1.067 346 M CA 1.460 56.829 55.300 0.114 0.000 1.131 346 M CB -0.557 32.131 32.600 0.147 0.000 1.368 346 M HN -0.234 nan 8.290 nan 0.000 0.416 347 F N 1.251 121.227 119.950 0.043 0.000 2.126 347 F HA -0.218 4.311 4.527 0.002 0.000 0.299 347 F C 1.774 177.588 175.800 0.023 0.000 1.096 347 F CA 1.892 59.906 58.000 0.023 0.000 1.255 347 F CB -0.515 38.497 39.000 0.019 0.000 0.997 347 F HN 0.045 nan 8.300 nan 0.000 0.479 348 K N 0.027 120.281 120.400 -0.245 0.000 2.097 348 K HA -0.143 4.178 4.320 0.002 0.000 0.206 348 K C 1.989 178.463 176.600 -0.209 0.000 1.049 348 K CA 1.534 57.615 56.287 -0.344 0.000 0.933 348 K CB -0.540 31.878 32.500 -0.137 0.000 0.717 348 K HN 0.383 nan 8.250 nan 0.000 0.442 349 L N 0.298 121.461 121.223 -0.099 0.000 2.093 349 L HA -0.110 4.231 4.340 0.002 0.000 0.208 349 L C 1.851 178.716 176.870 -0.009 0.000 1.085 349 L CA 1.366 56.178 54.840 -0.048 0.000 0.755 349 L CB -0.237 41.802 42.059 -0.033 0.000 0.904 349 L HN -0.106 nan 8.230 nan 0.000 0.435 350 V N 0.472 120.377 119.914 -0.015 0.000 2.332 350 V HA -0.310 3.811 4.120 0.002 0.000 0.248 350 V C 2.878 179.013 176.094 0.069 0.000 1.055 350 V CA 1.734 64.061 62.300 0.045 0.000 1.038 350 V CB -1.275 30.513 31.823 -0.059 0.000 0.651 350 V HN 0.649 nan 8.190 nan 0.000 0.450 351 A N -1.362 121.389 122.820 -0.116 0.000 1.902 351 A HA -0.305 4.017 4.320 0.002 0.000 0.217 351 A C 2.226 179.881 177.584 0.118 0.000 1.181 351 A CA 2.079 54.099 52.037 -0.029 0.000 0.623 351 A CB -0.525 18.269 19.000 -0.343 0.000 0.818 351 A HN 0.586 nan 8.150 nan 0.000 0.443 352 Q N -1.213 118.609 119.800 0.036 0.000 2.050 352 Q HA -0.153 4.188 4.340 0.002 0.000 0.202 352 Q C 1.959 178.021 176.000 0.105 0.000 0.980 352 Q CA 1.242 57.076 55.803 0.053 0.000 0.840 352 Q CB -0.190 28.554 28.738 0.010 0.000 0.898 352 Q HN 0.494 nan 8.270 nan 0.000 0.424 353 L N -0.001 121.313 121.223 0.151 0.000 2.079 353 L HA -0.207 4.134 4.340 0.002 0.000 0.210 353 L C 2.129 179.142 176.870 0.238 0.000 1.081 353 L CA 1.670 56.620 54.840 0.185 0.000 0.752 353 L CB -1.319 40.917 42.059 0.294 0.000 0.896 353 L HN 0.352 nan 8.230 nan 0.000 0.433 354 Y N 1.495 121.923 120.300 0.213 0.000 2.207 354 Y HA -0.301 4.251 4.550 0.002 0.000 0.287 354 Y C 2.418 178.425 175.900 0.179 0.000 1.156 354 Y CA 2.256 60.515 58.100 0.264 0.000 1.182 354 Y CB -0.206 38.448 38.460 0.324 0.000 0.979 354 Y HN 0.428 nan 8.280 nan 0.000 0.521 355 K N -1.388 119.026 120.400 0.024 0.000 2.314 355 K HA 0.028 4.350 4.320 0.002 0.000 0.198 355 K C 1.388 177.941 176.600 -0.079 0.000 1.045 355 K CA 1.190 57.430 56.287 -0.078 0.000 0.988 355 K CB -0.036 32.459 32.500 -0.008 0.000 0.783 355 K HN 0.225 nan 8.250 nan 0.000 0.484 356 I N 1.060 121.598 120.570 -0.053 0.000 2.729 356 I HA -0.067 4.104 4.170 0.002 0.000 0.256 356 I C 2.315 178.325 176.117 -0.177 0.000 1.115 356 I CA 0.398 61.649 61.300 -0.081 0.000 1.446 356 I CB -0.868 37.111 38.000 -0.035 0.000 1.176 356 I HN -0.092 nan 8.210 nan 0.000 0.446 357 V N 2.920 122.697 119.914 -0.229 0.000 2.250 357 V HA -0.191 3.930 4.120 0.002 0.000 0.250 357 V C -0.252 175.552 176.094 -0.483 0.000 1.060 357 V CA 2.467 64.498 62.300 -0.448 0.000 1.030 357 V CB -2.203 29.120 31.823 -0.834 0.000 0.643 357 V HN 0.261 nan 8.190 nan 0.000 0.445 358 P HA -0.103 nan 4.420 nan 0.000 0.219 358 P C 1.198 178.211 177.300 -0.478 0.000 1.146 358 P CA 1.332 64.048 63.100 -0.640 0.000 0.808 358 P CB -0.235 30.728 31.700 -1.228 0.000 0.779 359 N N -0.597 117.906 118.700 -0.328 0.000 2.250 359 N HA -0.053 4.689 4.740 0.002 0.000 0.181 359 N C 1.697 177.113 175.510 -0.156 0.000 1.017 359 N CA 1.004 53.939 53.050 -0.192 0.000 0.866 359 N CB -0.567 37.852 38.487 -0.113 0.000 0.985 359 N HN 0.044 nan 8.380 nan 0.000 0.429 360 V N 2.330 122.106 119.914 -0.231 0.000 2.358 360 V HA -0.139 3.982 4.120 0.002 0.000 0.246 360 V C 2.472 178.358 176.094 -0.348 0.000 1.047 360 V CA 1.138 63.251 62.300 -0.311 0.000 1.035 360 V CB -0.501 30.979 31.823 -0.570 0.000 0.658 360 V HN 0.222 nan 8.190 nan 0.000 0.452 361 L N -0.930 120.076 121.223 -0.361 0.000 2.093 361 L HA -0.158 4.183 4.340 0.002 0.000 0.208 361 L C 2.417 179.178 176.870 -0.182 0.000 1.085 361 L CA 1.332 55.993 54.840 -0.299 0.000 0.755 361 L CB -0.430 41.439 42.059 -0.318 0.000 0.904 361 L HN 0.314 nan 8.230 nan 0.000 0.435 362 L N -0.405 120.712 121.223 -0.176 0.000 2.017 362 L HA -0.243 4.098 4.340 0.002 0.000 0.208 362 L C 2.634 179.491 176.870 -0.022 0.000 1.073 362 L CA 1.434 56.215 54.840 -0.097 0.000 0.745 362 L CB -0.319 41.678 42.059 -0.102 0.000 0.894 362 L HN 0.288 nan 8.230 nan 0.000 0.432 363 E N -0.576 119.632 120.200 0.012 0.000 2.058 363 E HA -0.316 4.035 4.350 0.002 0.000 0.194 363 E C 2.099 178.798 176.600 0.166 0.000 0.997 363 E CA 1.351 57.821 56.400 0.115 0.000 0.801 363 E CB -0.111 29.729 29.700 0.234 0.000 0.746 363 E HN 0.447 nan 8.360 nan 0.000 0.450 364 Q N 0.171 120.065 119.800 0.157 0.000 2.364 364 Q HA -0.134 4.208 4.340 0.002 0.000 0.209 364 Q C 1.039 177.091 176.000 0.087 0.000 0.977 364 Q CA 1.092 57.013 55.803 0.197 0.000 0.885 364 Q CB -0.042 28.744 28.738 0.080 0.000 0.941 364 Q HN 0.412 nan 8.270 nan 0.000 0.464 365 G N 0.981 109.803 108.800 0.036 0.000 2.187 365 G HA2 -0.332 3.630 3.960 0.002 0.000 0.261 365 G HA3 -0.332 3.630 3.960 0.002 0.000 0.261 365 G C 0.619 175.525 174.900 0.009 0.000 1.000 365 G CA 0.968 46.080 45.100 0.020 0.000 0.718 365 G HN 0.441 nan 8.290 nan 0.000 0.519 366 K N -0.055 120.342 120.400 -0.005 0.000 2.172 366 K HA 0.497 4.818 4.320 0.002 0.000 0.203 366 K C 1.726 178.319 176.600 -0.011 0.000 1.040 366 K CA 0.543 56.826 56.287 -0.007 0.000 0.974 366 K CB 0.161 32.656 32.500 -0.009 0.000 0.857 366 K HN 0.543 nan 8.250 nan 0.000 0.464 367 A N 1.980 124.784 122.820 -0.027 0.000 2.492 367 A HA 0.012 4.334 4.320 0.002 0.000 0.254 367 A C 0.523 178.110 177.584 0.005 0.000 1.091 367 A CA 0.137 52.164 52.037 -0.016 0.000 0.768 367 A CB 0.385 19.363 19.000 -0.036 0.000 1.028 367 A HN 0.106 nan 8.150 nan 0.000 0.498 368 K N 1.021 121.436 120.400 0.025 0.000 2.209 368 K HA -0.105 4.217 4.320 0.002 0.000 0.204 368 K C 0.380 177.025 176.600 0.075 0.000 1.048 368 K CA 1.591 57.905 56.287 0.045 0.000 0.940 368 K CB -0.110 32.419 32.500 0.048 0.000 0.729 368 K HN 0.778 nan 8.250 nan 0.000 0.451 369 N N -0.576 118.174 118.700 0.084 0.000 2.491 369 N HA 0.184 4.926 4.740 0.002 0.000 0.274 369 N C -2.645 172.895 175.510 0.051 0.000 1.023 369 N CA -1.986 51.148 53.050 0.140 0.000 0.902 369 N CB 1.712 40.318 38.487 0.198 0.000 1.267 369 N HN -0.217 nan 8.380 nan 0.000 0.503 370 P HA 0.244 nan 4.420 nan 0.000 0.266 370 P C -0.784 176.220 177.300 -0.493 0.000 1.381 370 P CA -0.028 62.874 63.100 -0.330 0.000 0.940 370 P CB -0.201 31.215 31.700 -0.474 0.000 1.435 371 W N 1.907 123.291 121.300 0.139 0.000 2.497 371 W HA 0.449 5.110 4.660 0.002 0.000 0.359 371 W C -2.054 174.417 176.519 -0.081 0.000 1.131 371 W CA -2.499 54.909 57.345 0.105 0.000 1.280 371 W CB -0.013 29.466 29.460 0.031 0.000 1.319 371 W HN -0.226 nan 8.180 nan 0.000 0.626 372 P HA 0.101 nan 4.420 nan 0.000 0.274 372 P C -0.861 176.231 177.300 -0.347 0.000 1.231 372 P CA -0.295 62.309 63.100 -0.826 0.000 0.790 372 P CB 0.809 31.666 31.700 -1.404 0.000 0.951 373 N N -0.350 118.221 118.700 -0.214 0.000 2.531 373 N HA 0.184 4.925 4.740 0.002 0.000 0.290 373 N C 0.902 176.451 175.510 0.063 0.000 1.257 373 N CA -1.018 52.025 53.050 -0.012 0.000 0.863 373 N CB -0.151 38.407 38.487 0.120 0.000 1.320 373 N HN 0.051 nan 8.380 nan 0.000 0.538 374 V N 0.034 119.955 119.914 0.012 0.000 2.277 374 V HA -0.305 3.816 4.120 0.002 0.000 0.253 374 V C 0.846 176.956 176.094 0.026 0.000 1.067 374 V CA 2.462 64.725 62.300 -0.061 0.000 1.047 374 V CB -0.818 30.814 31.823 -0.317 0.000 0.649 374 V HN 0.695 nan 8.190 nan 0.000 0.447 375 D N 0.099 120.547 120.400 0.080 0.000 2.351 375 D HA -0.059 4.583 4.640 0.002 0.000 0.216 375 D C 1.913 178.322 176.300 0.180 0.000 0.968 375 D CA 1.280 55.370 54.000 0.149 0.000 0.899 375 D CB -0.145 40.774 40.800 0.198 0.000 0.907 375 D HN 0.635 nan 8.370 nan 0.000 0.514 376 A N -0.416 122.517 122.820 0.190 0.000 2.169 376 A HA -0.112 4.210 4.320 0.002 0.000 0.212 376 A C 1.748 179.496 177.584 0.275 0.000 1.153 376 A CA 0.829 53.004 52.037 0.231 0.000 0.756 376 A CB -0.086 19.000 19.000 0.143 0.000 0.813 376 A HN 0.175 nan 8.150 nan 0.000 0.471 377 H N -0.986 118.163 119.070 0.132 0.000 3.170 377 H HA 0.137 4.694 4.556 0.002 0.000 0.264 377 H C 1.990 177.321 175.328 0.005 0.000 1.113 377 H CA 0.956 57.010 56.048 0.010 0.000 1.194 377 H CB 0.452 30.005 29.762 -0.348 0.000 1.553 377 H HN 0.548 nan 8.280 nan 0.000 0.538 378 S N -1.059 114.753 115.700 0.186 0.000 2.362 378 S HA -0.017 4.454 4.470 0.002 0.000 0.221 378 S C 2.358 177.013 174.600 0.092 0.000 1.032 378 S CA 0.939 59.213 58.200 0.123 0.000 0.973 378 S CB -0.760 62.493 63.200 0.088 0.000 0.849 378 S HN 0.309 nan 8.310 nan 0.000 0.465 379 G N 2.182 111.037 108.800 0.092 0.000 2.442 379 G HA2 -0.176 3.785 3.960 0.002 0.000 0.219 379 G HA3 -0.176 3.785 3.960 0.002 0.000 0.219 379 G C 1.633 176.610 174.900 0.129 0.000 1.141 379 G CA 1.440 46.544 45.100 0.006 0.000 0.763 379 G HN 0.855 nan 8.290 nan 0.000 0.554 380 V N -0.253 119.783 119.914 0.203 0.000 2.469 380 V HA -0.137 3.984 4.120 0.002 0.000 0.251 380 V C 2.733 178.964 176.094 0.229 0.000 1.064 380 V CA 1.618 64.054 62.300 0.226 0.000 1.066 380 V CB -0.725 31.238 31.823 0.232 0.000 0.667 380 V HN 0.360 nan 8.190 nan 0.000 0.461 381 L N -0.514 120.834 121.223 0.209 0.000 2.027 381 L HA -0.078 4.264 4.340 0.002 0.000 0.206 381 L C 2.714 179.797 176.870 0.354 0.000 1.074 381 L CA 1.629 56.619 54.840 0.251 0.000 0.745 381 L CB -0.761 41.376 42.059 0.129 0.000 0.898 381 L HN 0.293 nan 8.230 nan 0.000 0.433 382 L N -0.348 120.981 121.223 0.177 0.000 1.970 382 L HA -0.252 4.089 4.340 0.002 0.000 0.212 382 L C 2.875 179.871 176.870 0.210 0.000 1.071 382 L CA 1.463 56.391 54.840 0.146 0.000 0.751 382 L CB -0.935 40.979 42.059 -0.242 0.000 0.889 382 L HN 0.384 nan 8.230 nan 0.000 0.432 383 Q N 0.209 120.136 119.800 0.211 0.000 2.082 383 Q HA -0.341 4.001 4.340 0.002 0.000 0.211 383 Q C 2.274 178.355 176.000 0.136 0.000 1.002 383 Q CA 2.610 58.544 55.803 0.219 0.000 0.868 383 Q CB -0.793 28.095 28.738 0.249 0.000 0.931 383 Q HN 0.577 nan 8.270 nan 0.000 0.414 384 Y N 0.218 120.531 120.300 0.022 0.000 2.151 384 Y HA -0.265 4.287 4.550 0.002 0.000 0.284 384 Y C 1.389 177.118 175.900 -0.285 0.000 1.166 384 Y CA 2.063 60.078 58.100 -0.141 0.000 1.163 384 Y CB -0.526 37.802 38.460 -0.221 0.000 0.974 384 Y HN 0.193 nan 8.280 nan 0.000 0.511 385 Y N 0.052 120.355 120.300 0.005 0.000 2.477 385 Y HA 0.245 4.796 4.550 0.002 0.000 0.303 385 Y C 1.861 177.642 175.900 -0.198 0.000 1.202 385 Y CA 0.471 58.478 58.100 -0.154 0.000 1.282 385 Y CB 0.017 38.399 38.460 -0.130 0.000 1.071 385 Y HN 0.306 nan 8.280 nan 0.000 0.510 386 G N 0.116 108.896 108.800 -0.034 0.000 2.213 386 G HA2 -0.346 3.615 3.960 0.002 0.000 0.236 386 G HA3 -0.346 3.615 3.960 0.002 0.000 0.236 386 G C 0.570 175.559 174.900 0.149 0.000 0.991 386 G CA 0.069 45.183 45.100 0.024 0.000 0.629 386 G HN 0.333 nan 8.290 nan 0.000 0.517 387 M N 3.505 123.179 119.600 0.123 0.000 3.011 387 M HA 0.407 4.888 4.480 0.002 0.000 0.292 387 M C 1.629 178.093 176.300 0.274 0.000 1.440 387 M CA 0.898 56.298 55.300 0.166 0.000 1.552 387 M CB -0.055 32.515 32.600 -0.049 0.000 1.187 387 M HN 0.308 nan 8.290 nan 0.000 0.520 388 T N -1.065 113.595 114.554 0.177 0.000 3.107 388 T HA 0.129 4.480 4.350 0.002 0.000 0.249 388 T C 0.306 174.986 174.700 -0.034 0.000 1.096 388 T CA -0.292 61.881 62.100 0.123 0.000 1.012 388 T CB -0.189 68.709 68.868 0.050 0.000 0.977 388 T HN 0.657 nan 8.240 nan 0.000 0.527 389 E N 3.324 123.454 120.200 -0.117 0.000 1.924 389 E HA 0.167 4.518 4.350 0.002 0.000 0.261 389 E C 1.384 177.706 176.600 -0.463 0.000 1.088 389 E CA -0.523 55.644 56.400 -0.387 0.000 0.909 389 E CB 0.442 29.538 29.700 -1.007 0.000 1.112 389 E HN 0.574 nan 8.360 nan 0.000 0.425 390 M N 0.797 119.974 119.600 -0.705 0.000 2.346 390 M HA -0.127 4.354 4.480 0.002 0.000 0.263 390 M C 0.458 176.446 176.300 -0.519 0.000 1.064 390 M CA 1.356 55.933 55.300 -1.205 0.000 1.083 390 M CB -0.687 31.452 32.600 -0.768 0.000 1.399 390 M HN 0.173 nan 8.290 nan 0.000 0.435 391 N N -0.420 118.160 118.700 -0.200 0.000 2.550 391 N HA -0.109 4.632 4.740 0.002 0.000 0.186 391 N C 1.137 176.671 175.510 0.040 0.000 1.110 391 N CA 0.718 53.741 53.050 -0.046 0.000 0.912 391 N CB -0.016 38.412 38.487 -0.098 0.000 0.968 391 N HN 0.447 nan 8.380 nan 0.000 0.448 392 Y N 0.015 120.321 120.300 0.011 0.000 2.497 392 Y HA 0.027 4.579 4.550 0.002 0.000 0.265 392 Y C 1.380 177.479 175.900 0.332 0.000 1.111 392 Y CA 0.194 58.423 58.100 0.215 0.000 1.288 392 Y CB -0.004 38.682 38.460 0.376 0.000 1.082 392 Y HN -0.017 nan 8.280 nan 0.000 0.536 393 Y N 0.359 120.757 120.300 0.163 0.000 2.139 393 Y HA -0.302 4.249 4.550 0.002 0.000 0.282 393 Y C 2.518 178.475 175.900 0.094 0.000 1.179 393 Y CA 1.670 59.839 58.100 0.115 0.000 1.161 393 Y CB -1.697 36.868 38.460 0.175 0.000 0.970 393 Y HN 0.101 nan 8.280 nan 0.000 0.511 394 T N -0.761 113.966 114.554 0.289 0.000 2.995 394 T HA -0.066 4.285 4.350 0.002 0.000 0.269 394 T C 2.251 177.009 174.700 0.096 0.000 1.091 394 T CA 0.945 63.180 62.100 0.224 0.000 1.128 394 T CB -0.621 68.343 68.868 0.159 0.000 0.891 394 T HN 0.134 nan 8.240 nan 0.000 0.492 395 V N 1.670 121.541 119.914 -0.071 0.000 2.343 395 V HA -0.124 3.997 4.120 0.002 0.000 0.247 395 V C 2.446 178.476 176.094 -0.107 0.000 1.051 395 V CA 1.467 63.651 62.300 -0.194 0.000 1.036 395 V CB -0.622 30.859 31.823 -0.570 0.000 0.654 395 V HN 0.478 nan 8.190 nan 0.000 0.451 396 L N -1.447 119.696 121.223 -0.133 0.000 2.093 396 L HA -0.147 4.194 4.340 0.002 0.000 0.208 396 L C 2.407 179.406 176.870 0.216 0.000 1.085 396 L CA 1.329 56.144 54.840 -0.043 0.000 0.755 396 L CB -0.626 41.228 42.059 -0.341 0.000 0.904 396 L HN 0.327 nan 8.230 nan 0.000 0.435 397 F N 1.358 121.362 119.950 0.090 0.000 2.134 397 F HA -0.092 4.437 4.527 0.002 0.000 0.299 397 F C 2.209 178.074 175.800 0.108 0.000 1.097 397 F CA 1.283 59.329 58.000 0.076 0.000 1.264 397 F CB -0.980 38.040 39.000 0.034 0.000 1.001 397 F HN -0.019 nan 8.300 nan 0.000 0.479 398 G N -0.090 108.875 108.800 0.275 0.000 2.418 398 G HA2 -0.194 3.767 3.960 0.002 0.000 0.217 398 G HA3 -0.194 3.767 3.960 0.002 0.000 0.217 398 G C 1.894 176.992 174.900 0.329 0.000 1.158 398 G CA 1.139 46.355 45.100 0.194 0.000 0.771 398 G HN 0.317 nan 8.290 nan 0.000 0.545 399 V N 0.722 120.764 119.914 0.214 0.000 2.392 399 V HA -0.188 3.933 4.120 0.002 0.000 0.249 399 V C 3.033 179.261 176.094 0.222 0.000 1.059 399 V CA 2.251 64.621 62.300 0.117 0.000 1.051 399 V CB -0.247 31.501 31.823 -0.124 0.000 0.658 399 V HN 0.490 nan 8.190 nan 0.000 0.455 400 S N -0.134 115.747 115.700 0.302 0.000 2.345 400 S HA -0.218 4.253 4.470 0.002 0.000 0.220 400 S C 2.176 176.999 174.600 0.371 0.000 1.031 400 S CA 1.618 60.033 58.200 0.359 0.000 0.996 400 S CB -0.281 63.146 63.200 0.379 0.000 0.882 400 S HN 0.477 nan 8.310 nan 0.000 0.445 401 R N 1.545 122.312 120.500 0.444 0.000 2.200 401 R HA 0.154 4.495 4.340 0.002 0.000 0.234 401 R C 1.994 178.528 176.300 0.390 0.000 1.127 401 R CA 1.469 57.831 56.100 0.436 0.000 0.989 401 R CB -1.066 29.474 30.300 0.401 0.000 0.869 401 R HN 0.425 nan 8.270 nan 0.000 0.459 402 A N 0.377 123.389 122.820 0.321 0.000 2.024 402 A HA -0.111 4.210 4.320 0.002 0.000 0.220 402 A C 2.042 179.660 177.584 0.057 0.000 1.164 402 A CA 1.459 53.525 52.037 0.048 0.000 0.643 402 A CB -0.511 18.201 19.000 -0.479 0.000 0.806 402 A HN 0.367 nan 8.150 nan 0.000 0.451 403 L N -0.807 120.496 121.223 0.134 0.000 1.976 403 L HA -0.114 4.227 4.340 0.002 0.000 0.209 403 L C 2.876 179.943 176.870 0.329 0.000 1.071 403 L CA 1.373 56.352 54.840 0.233 0.000 0.746 403 L CB -1.244 40.965 42.059 0.250 0.000 0.890 403 L HN 0.423 nan 8.230 nan 0.000 0.432 404 G N 0.445 109.446 108.800 0.335 0.000 2.453 404 G HA2 -0.244 3.718 3.960 0.002 0.000 0.215 404 G HA3 -0.244 3.718 3.960 0.002 0.000 0.215 404 G C 1.715 176.830 174.900 0.359 0.000 1.201 404 G CA 1.506 46.827 45.100 0.369 0.000 0.784 404 G HN 0.319 nan 8.290 nan 0.000 0.545 405 V N 0.042 120.193 119.914 0.395 0.000 2.324 405 V HA -0.169 3.953 4.120 0.002 0.000 0.250 405 V C 2.728 178.981 176.094 0.265 0.000 1.060 405 V CA 2.194 64.727 62.300 0.388 0.000 1.042 405 V CB -0.622 31.443 31.823 0.404 0.000 0.650 405 V HN 0.327 nan 8.190 nan 0.000 0.450 406 L N 0.435 121.780 121.223 0.203 0.000 2.156 406 L HA 0.097 4.438 4.340 0.002 0.000 0.208 406 L C 3.027 179.992 176.870 0.160 0.000 1.095 406 L CA 1.246 56.166 54.840 0.132 0.000 0.770 406 L CB -0.880 41.197 42.059 0.030 0.000 0.914 406 L HN 0.433 nan 8.230 nan 0.000 0.439 407 A N -0.049 122.888 122.820 0.195 0.000 1.933 407 A HA -0.270 4.051 4.320 0.002 0.000 0.218 407 A C 2.242 179.897 177.584 0.119 0.000 1.175 407 A CA 1.962 54.057 52.037 0.097 0.000 0.628 407 A CB -0.417 18.578 19.000 -0.009 0.000 0.814 407 A HN 0.405 nan 8.150 nan 0.000 0.444 408 Q N -0.911 118.931 119.800 0.069 0.000 2.212 408 Q HA 0.013 4.354 4.340 0.002 0.000 0.199 408 Q C 1.746 177.790 176.000 0.074 0.000 0.950 408 Q CA 1.104 56.904 55.803 -0.005 0.000 0.863 408 Q CB -0.455 28.045 28.738 -0.397 0.000 0.944 408 Q HN 0.439 nan 8.270 nan 0.000 0.465 409 L N 0.197 121.473 121.223 0.087 0.000 2.013 409 L HA -0.138 4.204 4.340 0.002 0.000 0.212 409 L C 1.979 178.841 176.870 -0.013 0.000 1.073 409 L CA 1.798 56.663 54.840 0.042 0.000 0.753 409 L CB -0.547 41.536 42.059 0.040 0.000 0.890 409 L HN 0.388 nan 8.230 nan 0.000 0.432 410 I N -2.310 118.254 120.570 -0.010 0.000 2.226 410 I HA -0.332 3.840 4.170 0.002 0.000 0.245 410 I C 2.163 178.154 176.117 -0.209 0.000 1.100 410 I CA 1.652 62.909 61.300 -0.072 0.000 1.374 410 I CB -0.422 37.523 38.000 -0.091 0.000 1.057 410 I HN 0.365 nan 8.210 nan 0.000 0.413 411 W N 0.899 122.101 121.300 -0.162 0.000 2.409 411 W HA -0.154 4.508 4.660 0.002 0.000 0.299 411 W C 2.901 179.191 176.519 -0.382 0.000 1.203 411 W CA 1.188 58.376 57.345 -0.262 0.000 1.298 411 W CB -0.252 29.058 29.460 -0.250 0.000 1.127 411 W HN -0.023 nan 8.180 nan 0.000 0.528 412 S N 0.053 115.662 115.700 -0.153 0.000 2.382 412 S HA -0.169 4.302 4.470 0.002 0.000 0.228 412 S C 1.768 176.169 174.600 -0.332 0.000 1.027 412 S CA 0.995 58.920 58.200 -0.457 0.000 0.991 412 S CB -0.279 62.839 63.200 -0.137 0.000 0.823 412 S HN 0.134 nan 8.310 nan 0.000 0.469 413 R N 1.742 122.165 120.500 -0.128 0.000 2.062 413 R HA 0.262 4.603 4.340 0.002 0.000 0.226 413 R C 2.567 178.896 176.300 0.048 0.000 1.125 413 R CA 1.232 57.342 56.100 0.018 0.000 0.966 413 R CB -1.544 28.793 30.300 0.061 0.000 0.861 413 R HN 0.436 nan 8.270 nan 0.000 0.433 414 A N 0.859 123.638 122.820 -0.068 0.000 1.940 414 A HA -0.103 4.218 4.320 0.002 0.000 0.219 414 A C 2.083 179.591 177.584 -0.126 0.000 1.176 414 A CA 1.286 53.202 52.037 -0.202 0.000 0.631 414 A CB -0.471 18.086 19.000 -0.738 0.000 0.814 414 A HN 0.234 nan 8.150 nan 0.000 0.446 415 L N -1.446 119.672 121.223 -0.175 0.000 2.607 415 L HA 0.233 4.574 4.340 0.002 0.000 0.228 415 L C 1.460 178.287 176.870 -0.070 0.000 1.123 415 L CA 0.396 55.144 54.840 -0.154 0.000 0.890 415 L CB -0.095 41.793 42.059 -0.286 0.000 1.103 415 L HN 0.572 nan 8.230 nan 0.000 0.468 416 G N 0.175 108.952 108.800 -0.039 0.000 2.198 416 G HA2 -0.283 3.678 3.960 0.002 0.000 0.257 416 G HA3 -0.283 3.678 3.960 0.002 0.000 0.257 416 G C 0.049 175.123 174.900 0.289 0.000 1.042 416 G CA -0.426 44.749 45.100 0.126 0.000 0.791 416 G HN 0.062 nan 8.290 nan 0.000 0.502 417 F N 0.879 120.898 119.950 0.115 0.000 2.563 417 F HA 0.361 4.890 4.527 0.002 0.000 0.363 417 F C -0.263 175.593 175.800 0.094 0.000 1.123 417 F CA -2.019 56.044 58.000 0.104 0.000 1.307 417 F CB 0.119 39.180 39.000 0.101 0.000 1.115 417 F HN 0.093 nan 8.300 nan 0.000 0.592 418 P HA 0.207 nan 4.420 nan 0.000 0.317 418 P C -0.728 176.665 177.300 0.156 0.000 1.307 418 P CA -0.653 62.563 63.100 0.194 0.000 0.749 418 P CB 0.859 32.644 31.700 0.142 0.000 1.377 419 L N 0.461 121.756 121.223 0.119 0.000 2.584 419 L HA 0.013 4.354 4.340 0.002 0.000 0.272 419 L C 0.684 177.611 176.870 0.094 0.000 1.195 419 L CA 0.399 55.295 54.840 0.094 0.000 0.920 419 L CB -0.726 41.380 42.059 0.077 0.000 1.173 419 L HN 0.348 nan 8.230 nan 0.000 0.489 420 E N 6.253 126.517 120.200 0.105 0.000 2.070 420 E HA 0.156 4.507 4.350 0.002 0.000 0.282 420 E C -0.654 175.996 176.600 0.083 0.000 1.104 420 E CA -0.390 56.083 56.400 0.122 0.000 0.876 420 E CB 0.291 30.108 29.700 0.195 0.000 1.055 420 E HN 0.408 nan 8.360 nan 0.000 0.401 421 R N 5.862 126.402 120.500 0.066 0.000 2.713 421 R HA 0.279 4.620 4.340 0.002 0.000 0.282 421 R C -2.535 173.786 176.300 0.035 0.000 1.472 421 R CA -1.316 54.811 56.100 0.045 0.000 1.060 421 R CB 0.965 31.288 30.300 0.038 0.000 1.237 421 R HN 0.616 nan 8.270 nan 0.000 0.484 422 P HA 0.371 nan 4.420 nan 0.000 0.293 422 P C -0.841 176.464 177.300 0.008 0.000 1.304 422 P CA -0.662 62.449 63.100 0.018 0.000 0.767 422 P CB 1.184 32.896 31.700 0.020 0.000 1.247 423 K N 0.719 121.118 120.400 -0.002 0.000 2.265 423 K HA 0.317 4.638 4.320 0.002 0.000 0.267 423 K C -0.034 176.553 176.600 -0.021 0.000 0.994 423 K CA -0.200 56.082 56.287 -0.009 0.000 0.860 423 K CB 1.210 33.704 32.500 -0.010 0.000 1.099 423 K HN 0.611 nan 8.250 nan 0.000 0.448 424 S N 3.606 119.292 115.700 -0.024 0.000 2.672 424 S HA 0.664 5.135 4.470 0.002 0.000 0.276 424 S C -0.264 174.311 174.600 -0.043 0.000 1.207 424 S CA -0.606 57.571 58.200 -0.038 0.000 1.002 424 S CB 0.988 64.169 63.200 -0.030 0.000 0.998 424 S HN 0.533 nan 8.310 nan 0.000 0.542 425 M N 2.506 122.068 119.600 -0.064 0.000 2.433 425 M HA 0.464 4.945 4.480 0.002 0.000 0.290 425 M C -0.521 175.736 176.300 -0.071 0.000 1.173 425 M CA -0.187 55.076 55.300 -0.063 0.000 0.905 425 M CB 2.361 34.910 32.600 -0.084 0.000 1.692 425 M HN 0.945 nan 8.290 nan 0.000 0.462 426 S N 0.843 116.518 115.700 -0.040 0.000 2.713 426 S HA 0.517 4.988 4.470 0.002 0.000 0.283 426 S C 0.659 175.255 174.600 -0.008 0.000 1.161 426 S CA -0.222 57.963 58.200 -0.026 0.000 0.999 426 S CB 1.051 64.249 63.200 -0.004 0.000 1.039 426 S HN 0.737 nan 8.310 nan 0.000 0.548 427 T N 1.628 116.205 114.554 0.038 0.000 2.708 427 T HA -0.075 4.277 4.350 0.002 0.000 0.266 427 T C 2.186 176.932 174.700 0.077 0.000 1.037 427 T CA 1.775 63.944 62.100 0.115 0.000 1.146 427 T CB -1.011 67.956 68.868 0.165 0.000 0.865 427 T HN 0.814 nan 8.240 nan 0.000 0.435 428 A N 1.340 124.190 122.820 0.050 0.000 1.873 428 A HA 0.001 4.322 4.320 0.002 0.000 0.218 428 A C 2.623 180.224 177.584 0.027 0.000 1.193 428 A CA 2.114 54.172 52.037 0.035 0.000 0.629 428 A CB -1.425 17.590 19.000 0.025 0.000 0.826 428 A HN 0.530 nan 8.150 nan 0.000 0.447 429 G N -0.756 108.055 108.800 0.018 0.000 2.422 429 G HA2 -0.074 3.888 3.960 0.002 0.000 0.218 429 G HA3 -0.074 3.888 3.960 0.002 0.000 0.218 429 G C 1.421 176.328 174.900 0.013 0.000 1.140 429 G CA 1.096 46.203 45.100 0.011 0.000 0.775 429 G HN 0.429 nan 8.290 nan 0.000 0.545 430 L N 0.889 122.123 121.223 0.018 0.000 2.017 430 L HA 0.041 4.382 4.340 0.002 0.000 0.208 430 L C 2.528 179.422 176.870 0.041 0.000 1.073 430 L CA 1.853 56.708 54.840 0.026 0.000 0.745 430 L CB -0.996 41.087 42.059 0.040 0.000 0.894 430 L HN 0.365 nan 8.230 nan 0.000 0.432 431 E N -0.408 119.822 120.200 0.050 0.000 2.023 431 E HA -0.317 4.034 4.350 0.002 0.000 0.196 431 E C 2.164 178.781 176.600 0.028 0.000 1.003 431 E CA 1.660 58.086 56.400 0.043 0.000 0.809 431 E CB -0.193 29.532 29.700 0.041 0.000 0.755 431 E HN 0.406 nan 8.360 nan 0.000 0.449 432 K N 1.024 121.438 120.400 0.023 0.000 2.089 432 K HA -0.186 4.135 4.320 0.002 0.000 0.210 432 K C 2.152 178.760 176.600 0.014 0.000 1.048 432 K CA 1.043 57.340 56.287 0.016 0.000 0.926 432 K CB -0.190 32.318 32.500 0.013 0.000 0.714 432 K HN 0.096 nan 8.250 nan 0.000 0.448 433 L N 0.283 121.515 121.223 0.015 0.000 2.079 433 L HA -0.195 4.146 4.340 0.002 0.000 0.210 433 L C 1.796 178.674 176.870 0.013 0.000 1.081 433 L CA 1.904 56.751 54.840 0.012 0.000 0.752 433 L CB -0.294 41.771 42.059 0.010 0.000 0.896 433 L HN 0.337 nan 8.230 nan 0.000 0.433 434 S N -1.402 114.309 115.700 0.019 0.000 2.384 434 S HA 0.283 4.754 4.470 0.002 0.000 0.217 434 S C 1.249 175.858 174.600 0.015 0.000 1.041 434 S CA 0.721 58.932 58.200 0.019 0.000 0.948 434 S CB 0.760 63.976 63.200 0.026 0.000 0.872 434 S HN 0.604 nan 8.310 nan 0.000 0.512 435 A N -0.613 122.217 122.820 0.016 0.000 2.422 435 A HA 0.461 4.782 4.320 0.002 0.000 0.219 435 A C 0.802 178.394 177.584 0.014 0.000 2.882 435 A CA 0.552 52.597 52.037 0.013 0.000 1.556 435 A CB -1.131 17.875 19.000 0.010 0.000 0.203 435 A HN 1.732 nan 8.150 nan 0.000 0.539 436 G N -1.632 107.179 108.800 0.018 0.000 2.712 436 G HA2 0.572 4.534 3.960 0.002 0.000 0.683 436 G HA3 0.572 4.534 3.960 0.002 0.000 0.683 436 G C 0.559 175.466 174.900 0.012 0.000 1.320 436 G CA 0.561 45.672 45.100 0.019 0.000 0.847 436 G HN 2.531 nan 8.290 nan 0.000 0.553 437 G N 0.000 108.805 108.800 0.008 0.000 5.446 437 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 437 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 437 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 437 G HN 0.000 nan 8.290 nan 0.000 0.925