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 2id5_1_D DATA FIRST_RESID 3 DATA SEQUENCE cPPRcEcSAQ DRAVLcHRKR FVAVPEGIPX XXRLLDLGKN RIKTLNQDEF DATA SEQUENCE ASFPHLEELE LNENIVSAVE PGAFNNLFNL RTLGLRSNRL KLIPLGVFTG DATA SEQUENCE LSNLTKLDIS ENKIVILLDY MFQDLYNLKS LEVGDNDLVY ISHRAFSGLN DATA SEQUENCE SLEQLTLEKC NLTSIPTEAL SHLHGLIVLR LRHLNINAIR DYSFKRLYRL DATA SEQUENCE KVLEISHWPY LDTMTPNCLY GLNLTSLSIT HCNLTAVPYL AVRHLVYLRF DATA SEQUENCE LNLSYNPIST IEGSMLHELL RLQEIQLVGG QLAVVEPYAF RGLNYLRVLN DATA SEQUENCE VSGNQLTTLE ESVFHSVGNL ETLILDSNPL AcDcRLLWVF RRRWRLNFNR DATA SEQUENCE QQPTcATPEF VQGKEFKDFP DVLLPNYFTc RRARIRDRKA QQVFVDEGHT DATA SEQUENCE VQFVcRADGD PPPAILWLSP RKHLVSAKSN GRLTVFPDGT LEVRYAQVQD DATA SEQUENCE NGTYLcIAAN AGGNDSMPAH LHVR 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 3 c HA 0.000 nan 4.570 nan 0.000 0.325 3 c C 0.000 174.112 174.090 0.037 0.000 1.270 3 c CA 0.000 56.346 56.329 0.028 0.000 1.963 3 c CB 0.000 42.527 42.510 0.029 0.000 2.134 4 P HA 0.162 nan 4.420 nan 0.000 0.263 4 P C -1.961 175.380 177.300 0.068 0.000 1.175 4 P CA -0.292 62.845 63.100 0.063 0.000 0.761 4 P CB 0.375 32.118 31.700 0.072 0.000 0.794 5 P HA -0.049 nan 4.420 nan 0.000 0.210 5 P C 1.476 178.820 177.300 0.073 0.000 1.192 5 P CA 1.066 64.206 63.100 0.066 0.000 0.913 5 P CB 0.114 31.854 31.700 0.066 0.000 0.774 6 R N -0.902 119.654 120.500 0.094 0.000 2.119 6 R HA 0.020 4.360 4.340 0.000 0.000 0.222 6 R C 0.161 176.525 176.300 0.106 0.000 1.088 6 R CA 0.457 56.612 56.100 0.090 0.000 0.984 6 R CB -0.465 29.889 30.300 0.089 0.000 0.884 6 R HN 0.203 nan 8.270 nan 0.000 0.447 7 c N 1.405 120.083 118.600 0.130 0.000 2.595 7 c HA 0.187 4.757 4.570 0.000 0.000 0.384 7 c C 0.350 174.498 174.090 0.097 0.000 1.289 7 c CA -0.810 55.596 56.329 0.129 0.000 2.372 7 c CB 0.927 43.516 42.510 0.132 0.000 2.593 7 c HN 0.358 nan 8.230 nan 0.000 0.639 8 E N 0.918 121.178 120.200 0.099 0.000 2.089 8 E HA 0.394 4.744 4.350 0.000 0.000 0.284 8 E C -0.285 176.359 176.600 0.074 0.000 1.023 8 E CA -0.224 56.224 56.400 0.080 0.000 0.819 8 E CB 0.238 29.986 29.700 0.080 0.000 1.076 8 E HN 0.831 nan 8.360 nan 0.000 0.396 9 c N 3.079 121.715 118.600 0.059 0.000 2.435 9 c HA 0.862 5.432 4.570 0.000 0.000 0.333 9 c C 0.140 174.255 174.090 0.042 0.000 1.202 9 c CA -0.756 55.604 56.329 0.052 0.000 1.830 9 c CB 1.105 43.644 42.510 0.048 0.000 2.326 9 c HN 0.659 nan 8.230 nan 0.000 0.507 10 S N 1.371 117.094 115.700 0.039 0.000 2.593 10 S HA 0.688 5.158 4.470 0.000 0.000 0.297 10 S C 0.793 175.409 174.600 0.026 0.000 1.112 10 S CA 0.117 58.336 58.200 0.031 0.000 1.043 10 S CB 1.592 64.811 63.200 0.030 0.000 1.054 10 S HN 1.476 nan 8.310 nan 0.000 0.516 11 A N 2.690 125.522 122.820 0.021 0.000 1.850 11 A HA 0.053 4.373 4.320 0.000 0.000 0.212 11 A C 1.980 179.573 177.584 0.015 0.000 1.208 11 A CA 1.502 53.549 52.037 0.017 0.000 0.609 11 A CB -1.351 17.657 19.000 0.014 0.000 0.860 11 A HN 0.881 nan 8.150 nan 0.000 0.448 12 Q N 0.619 120.427 119.800 0.014 0.000 2.028 12 Q HA -0.183 4.157 4.340 0.000 0.000 0.213 12 Q C -0.167 175.841 176.000 0.013 0.000 1.017 12 Q CA 2.237 58.047 55.803 0.012 0.000 0.875 12 Q CB -0.257 28.487 28.738 0.011 0.000 0.962 12 Q HN 0.592 nan 8.270 nan 0.000 0.413 13 D N -1.279 119.131 120.400 0.017 0.000 2.450 13 D HA 0.260 4.900 4.640 0.000 0.000 0.238 13 D C -0.553 175.762 176.300 0.025 0.000 1.020 13 D CA -0.690 53.321 54.000 0.019 0.000 1.010 13 D CB 0.819 41.630 40.800 0.020 0.000 1.342 13 D HN 0.128 nan 8.370 nan 0.000 0.530 14 R N 0.420 120.937 120.500 0.029 0.000 4.559 14 R HA 0.276 4.616 4.340 0.000 0.000 0.177 14 R C -0.199 176.126 176.300 0.043 0.000 1.875 14 R CA -0.106 56.016 56.100 0.037 0.000 1.509 14 R CB -0.366 29.961 30.300 0.045 0.000 1.395 14 R HN 0.205 nan 8.270 nan 0.000 0.830 15 A N 1.027 123.871 122.820 0.040 0.000 2.290 15 A HA 0.507 4.827 4.320 0.000 0.000 0.310 15 A C -0.269 177.347 177.584 0.053 0.000 1.202 15 A CA -0.468 51.596 52.037 0.045 0.000 0.837 15 A CB 1.161 20.185 19.000 0.040 0.000 1.139 15 A HN 0.236 nan 8.150 nan 0.000 0.509 16 V N 3.413 123.363 119.914 0.059 0.000 2.577 16 V HA 0.364 4.484 4.120 0.000 0.000 0.303 16 V C -0.533 175.609 176.094 0.079 0.000 1.042 16 V CA -0.160 62.179 62.300 0.066 0.000 0.872 16 V CB 1.624 33.485 31.823 0.063 0.000 0.998 16 V HN 0.765 nan 8.190 nan 0.000 0.423 17 L N 4.300 125.591 121.223 0.112 0.000 2.679 17 L HA 0.363 4.703 4.340 0.000 0.000 0.238 17 L C 0.156 177.167 176.870 0.236 0.000 1.330 17 L CA 0.009 54.974 54.840 0.209 0.000 0.935 17 L CB 1.071 43.259 42.059 0.215 0.000 1.243 17 L HN 0.701 nan 8.230 nan 0.000 0.484 18 c N 1.859 120.520 118.600 0.101 0.000 2.484 18 c HA 0.260 4.830 4.570 0.000 0.000 0.494 18 c C 0.789 174.923 174.090 0.073 0.000 1.052 18 c CA -0.308 56.086 56.329 0.108 0.000 1.307 18 c CB -1.507 41.046 42.510 0.071 0.000 1.464 18 c HN 0.505 nan 8.230 nan 0.000 0.564 19 H N 1.706 120.833 119.070 0.094 0.000 2.505 19 H HA 0.222 4.778 4.556 0.000 0.000 0.351 19 H C 0.782 176.162 175.328 0.087 0.000 1.151 19 H CA -0.272 55.825 56.048 0.082 0.000 1.339 19 H CB 0.597 30.392 29.762 0.054 0.000 1.483 19 H HN 0.406 nan 8.280 nan 0.000 0.558 20 R N 1.813 122.427 120.500 0.189 0.000 2.800 20 R HA -0.206 4.134 4.340 0.000 0.000 0.246 20 R C -0.719 175.629 176.300 0.080 0.000 0.855 20 R CA 0.536 56.707 56.100 0.118 0.000 0.631 20 R CB -1.248 29.112 30.300 0.100 0.000 1.386 20 R HN 0.740 nan 8.270 nan 0.000 0.519 21 K N 0.810 121.251 120.400 0.069 0.000 2.589 21 K HA 0.215 4.535 4.320 0.000 0.000 0.198 21 K C -0.022 176.433 176.600 -0.243 0.000 1.114 21 K CA -0.081 56.175 56.287 -0.052 0.000 1.070 21 K CB 0.645 33.156 32.500 0.017 0.000 0.860 21 K HN 0.449 nan 8.250 nan 0.000 0.536 22 R N 0.639 121.077 120.500 -0.102 0.000 3.651 22 R HA -0.167 4.173 4.340 0.000 0.000 0.292 22 R C -1.159 175.043 176.300 -0.164 0.000 1.161 22 R CA 0.174 56.204 56.100 -0.116 0.000 0.787 22 R CB -1.694 28.528 30.300 -0.130 0.000 1.249 22 R HN 0.068 nan 8.270 nan 0.000 0.476 23 F N -0.728 119.216 119.950 -0.009 0.000 2.506 23 F HA 0.055 4.583 4.527 0.000 0.000 0.371 23 F C 1.779 177.563 175.800 -0.027 0.000 1.078 23 F CA -0.031 57.957 58.000 -0.019 0.000 1.195 23 F CB 1.080 40.066 39.000 -0.024 0.000 1.099 23 F HN -0.190 nan 8.300 nan 0.000 0.548 24 V N 2.746 122.744 119.914 0.139 0.000 2.719 24 V HA 0.045 4.165 4.120 0.000 0.000 0.252 24 V C 1.115 177.239 176.094 0.051 0.000 1.065 24 V CA 1.364 63.704 62.300 0.066 0.000 1.086 24 V CB -1.080 30.759 31.823 0.028 0.000 0.700 24 V HN 0.827 nan 8.190 nan 0.000 0.467 25 A N -1.076 121.792 122.820 0.079 0.000 2.583 25 A HA 0.685 5.005 4.320 0.000 0.000 0.299 25 A C -0.759 176.757 177.584 -0.112 0.000 1.258 25 A CA -0.416 51.600 52.037 -0.036 0.000 0.682 25 A CB 0.920 19.883 19.000 -0.062 0.000 1.332 25 A HN -0.152 nan 8.150 nan 0.000 0.485 26 V N 3.162 122.914 119.914 -0.270 0.000 2.599 26 V HA 0.230 4.350 4.120 0.000 0.000 0.300 26 V C -1.522 174.378 176.094 -0.323 0.000 1.034 26 V CA -0.360 61.682 62.300 -0.429 0.000 1.115 26 V CB 0.409 31.837 31.823 -0.658 0.000 0.934 26 V HN 0.788 nan 8.190 nan 0.000 0.485 27 P HA 0.223 nan 4.420 nan 0.000 0.273 27 P C -0.810 176.465 177.300 -0.043 0.000 1.250 27 P CA -0.491 62.332 63.100 -0.462 0.000 0.793 27 P CB 0.661 31.871 31.700 -0.816 0.000 1.011 28 E N -1.449 118.790 120.200 0.065 0.000 2.207 28 E HA 0.521 4.871 4.350 0.000 0.000 0.270 28 E C 0.006 176.659 176.600 0.087 0.000 0.927 28 E CA -1.148 55.311 56.400 0.097 0.000 0.799 28 E CB 0.736 30.494 29.700 0.098 0.000 1.172 28 E HN 0.697 nan 8.360 nan 0.000 0.404 29 G N 2.757 111.594 108.800 0.061 0.000 2.326 29 G HA2 -0.138 3.822 3.960 0.000 0.000 0.286 29 G HA3 -0.138 3.822 3.960 0.000 0.000 0.286 29 G C -0.408 174.513 174.900 0.035 0.000 1.096 29 G CA 0.087 45.211 45.100 0.039 0.000 1.003 29 G HN 0.397 nan 8.290 nan 0.000 0.503 30 I N 0.061 120.640 120.570 0.016 0.000 2.466 30 I HA 0.390 4.560 4.170 0.000 0.000 0.289 30 I C -1.178 174.873 176.117 -0.109 0.000 1.026 30 I CA -2.569 58.741 61.300 0.017 0.000 1.078 30 I CB 0.715 38.828 38.000 0.190 0.000 1.249 30 I HN -0.025 nan 8.210 nan 0.000 0.429 36 L N 1.242 122.492 121.223 0.044 0.000 2.592 36 L HA 0.544 4.884 4.340 0.000 0.000 0.258 36 L C -2.205 174.691 176.870 0.044 0.000 0.926 36 L CA -0.883 53.978 54.840 0.035 0.000 0.885 36 L CB 2.289 44.368 42.059 0.033 0.000 1.380 36 L HN -0.101 nan 8.230 nan 0.000 0.415 37 L N 3.707 124.947 121.223 0.028 0.000 2.445 37 L HA 0.705 5.045 4.340 0.000 0.000 0.262 37 L C -1.782 175.084 176.870 -0.007 0.000 0.974 37 L CA -0.054 54.802 54.840 0.027 0.000 0.822 37 L CB 2.077 44.164 42.059 0.046 0.000 1.339 37 L HN 0.543 nan 8.230 nan 0.000 0.409 38 D N 4.110 124.495 120.400 -0.026 0.000 2.602 38 D HA 0.338 4.978 4.640 0.000 0.000 0.245 38 D C -1.118 175.079 176.300 -0.171 0.000 1.325 38 D CA -0.130 53.811 54.000 -0.098 0.000 0.952 38 D CB 1.757 42.505 40.800 -0.086 0.000 1.317 38 D HN 0.422 nan 8.370 nan 0.000 0.577 39 L N 3.317 124.451 121.223 -0.148 0.000 3.141 39 L HA 0.392 4.732 4.340 0.000 0.000 0.263 39 L C 1.159 177.951 176.870 -0.131 0.000 1.312 39 L CA -0.308 54.456 54.840 -0.126 0.000 1.012 39 L CB 0.987 43.008 42.059 -0.063 0.000 1.408 39 L HN 0.409 nan 8.230 nan 0.000 0.559 40 G N -0.275 108.349 108.800 -0.293 0.000 2.544 40 G HA2 0.274 4.234 3.960 0.000 0.000 0.242 40 G HA3 0.274 4.234 3.960 0.000 0.000 0.242 40 G C 0.214 175.085 174.900 -0.048 0.000 1.247 40 G CA -0.383 44.611 45.100 -0.177 0.000 0.840 40 G HN 0.401 nan 8.290 nan 0.000 0.578 41 K N 0.805 121.228 120.400 0.039 0.000 3.257 41 K HA -0.165 4.155 4.320 0.000 0.000 0.270 41 K C 0.254 176.894 176.600 0.067 0.000 0.984 41 K CA 0.609 56.938 56.287 0.071 0.000 0.739 41 K CB -1.097 31.474 32.500 0.118 0.000 1.351 41 K HN 0.620 nan 8.250 nan 0.000 0.463 42 N N 0.211 118.948 118.700 0.061 0.000 3.117 42 N HA 0.367 5.107 4.740 0.000 0.000 0.332 42 N C 0.414 175.960 175.510 0.061 0.000 1.385 42 N CA -0.594 52.507 53.050 0.085 0.000 0.683 42 N CB 0.697 39.265 38.487 0.136 0.000 1.272 42 N HN 0.057 nan 8.380 nan 0.000 0.522 43 R N 0.516 121.058 120.500 0.070 0.000 2.592 43 R HA 0.396 4.736 4.340 0.000 0.000 0.439 43 R C -0.591 175.733 176.300 0.041 0.000 0.995 43 R CA -0.279 55.847 56.100 0.043 0.000 1.141 43 R CB -0.201 30.114 30.300 0.026 0.000 1.495 43 R HN 0.495 nan 8.270 nan 0.000 0.579 44 I N 2.062 122.661 120.570 0.049 0.000 2.671 44 I HA -0.102 4.068 4.170 0.000 0.000 0.285 44 I C 1.494 177.619 176.117 0.014 0.000 1.148 44 I CA 0.642 61.959 61.300 0.029 0.000 1.386 44 I CB 0.629 38.645 38.000 0.025 0.000 1.406 44 I HN -0.105 nan 8.210 nan 0.000 0.540 45 K N 3.597 123.998 120.400 0.001 0.000 2.044 45 K HA 0.001 4.322 4.320 0.000 0.000 0.204 45 K C 0.690 177.282 176.600 -0.013 0.000 1.049 45 K CA 1.081 57.365 56.287 -0.005 0.000 0.945 45 K CB 0.048 32.542 32.500 -0.010 0.000 0.724 45 K HN 0.788 nan 8.250 nan 0.000 0.440 46 T N -1.717 112.820 114.554 -0.028 0.000 2.909 46 T HA 0.481 4.831 4.350 0.000 0.000 0.299 46 T C -0.523 174.141 174.700 -0.060 0.000 1.073 46 T CA -0.884 61.192 62.100 -0.039 0.000 0.999 46 T CB 1.622 70.461 68.868 -0.049 0.000 1.098 46 T HN -0.066 nan 8.240 nan 0.000 0.477 47 L N 3.205 124.390 121.223 -0.062 0.000 2.353 47 L HA 0.385 4.725 4.340 0.000 0.000 0.269 47 L C 0.313 177.094 176.870 -0.150 0.000 1.085 47 L CA -0.897 53.884 54.840 -0.099 0.000 0.938 47 L CB 0.099 42.126 42.059 -0.053 0.000 1.312 47 L HN 0.629 nan 8.230 nan 0.000 0.429 48 N N 1.882 120.480 118.700 -0.169 0.000 2.371 48 N HA 0.061 4.801 4.740 0.000 0.000 0.243 48 N C -0.076 175.324 175.510 -0.183 0.000 1.287 48 N CA -0.201 52.754 53.050 -0.158 0.000 0.911 48 N CB 0.548 38.947 38.487 -0.147 0.000 1.142 48 N HN 0.455 nan 8.380 nan 0.000 0.451 49 Q N 0.797 120.512 119.800 -0.141 0.000 2.283 49 Q HA -0.036 4.304 4.340 0.000 0.000 0.301 49 Q C -0.443 175.477 176.000 -0.132 0.000 1.063 49 Q CA 0.492 56.219 55.803 -0.127 0.000 0.952 49 Q CB 0.131 28.817 28.738 -0.086 0.000 1.166 49 Q HN 0.444 nan 8.270 nan 0.000 0.381 50 D N 0.965 121.291 120.400 -0.124 0.000 3.076 50 D HA -0.215 4.425 4.640 0.000 0.000 0.218 50 D C 0.509 176.720 176.300 -0.148 0.000 1.156 50 D CA 1.291 55.237 54.000 -0.090 0.000 0.921 50 D CB -0.891 39.876 40.800 -0.055 0.000 1.113 50 D HN 0.805 nan 8.370 nan 0.000 0.418 51 E N -1.416 118.611 120.200 -0.289 0.000 2.396 51 E HA -0.145 4.205 4.350 0.000 0.000 0.200 51 E C 0.819 176.891 176.600 -0.880 0.000 1.023 51 E CA 0.806 56.852 56.400 -0.590 0.000 0.857 51 E CB 0.009 29.243 29.700 -0.778 0.000 0.775 51 E HN 0.423 nan 8.360 nan 0.000 0.525 52 F N -1.840 118.004 119.950 -0.176 0.000 2.775 52 F HA 0.372 4.899 4.527 0.000 0.000 0.313 52 F C 1.363 177.225 175.800 0.104 0.000 1.121 52 F CA -0.077 57.872 58.000 -0.085 0.000 1.206 52 F CB 0.223 39.172 39.000 -0.084 0.000 1.052 52 F HN -0.041 nan 8.300 nan 0.000 0.524 53 A N 0.544 123.465 122.820 0.168 0.000 1.842 53 A HA -0.221 4.099 4.320 0.000 0.000 0.217 53 A C 2.114 179.783 177.584 0.142 0.000 1.206 53 A CA 2.269 54.380 52.037 0.123 0.000 0.630 53 A CB -1.180 17.855 19.000 0.058 0.000 0.839 53 A HN 0.306 nan 8.150 nan 0.000 0.447 54 S N -1.428 114.365 115.700 0.155 0.000 2.942 54 S HA 0.328 4.798 4.470 0.000 0.000 0.244 54 S C -0.162 174.432 174.600 -0.011 0.000 1.011 54 S CA -0.173 58.062 58.200 0.059 0.000 1.102 54 S CB -0.783 62.416 63.200 -0.001 0.000 0.812 54 S HN 0.307 nan 8.310 nan 0.000 0.486 55 F N 2.490 122.459 119.950 0.031 0.000 2.438 55 F HA 0.428 4.955 4.527 0.000 0.000 0.315 55 F C -2.470 173.346 175.800 0.028 0.000 1.258 55 F CA -2.118 55.920 58.000 0.064 0.000 1.180 55 F CB 1.103 40.200 39.000 0.162 0.000 1.412 55 F HN 0.173 nan 8.300 nan 0.000 0.544 56 P HA 0.290 nan 4.420 nan 0.000 0.289 56 P C -0.940 176.256 177.300 -0.174 0.000 1.300 56 P CA -0.332 62.658 63.100 -0.182 0.000 0.828 56 P CB 0.668 32.093 31.700 -0.459 0.000 1.235 57 H N -1.942 117.187 119.070 0.098 0.000 2.841 57 H HA -0.114 4.442 4.556 0.000 0.000 0.334 57 H C -0.831 174.534 175.328 0.063 0.000 1.119 57 H CA 0.337 56.431 56.048 0.076 0.000 1.109 57 H CB -2.399 27.398 29.762 0.058 0.000 1.614 57 H HN 0.318 nan 8.280 nan 0.000 0.397 58 L N 0.718 122.016 121.223 0.124 0.000 2.333 58 L HA 0.329 4.669 4.340 0.000 0.000 0.263 58 L C 1.320 178.220 176.870 0.051 0.000 1.014 58 L CA -0.459 54.429 54.840 0.079 0.000 0.820 58 L CB 2.083 44.171 42.059 0.049 0.000 1.352 58 L HN 0.221 nan 8.230 nan 0.000 0.421 59 E N 0.421 120.640 120.200 0.032 0.000 2.490 59 E HA 0.183 4.533 4.350 0.000 0.000 0.209 59 E C -0.492 176.101 176.600 -0.011 0.000 0.971 59 E CA 0.228 56.637 56.400 0.015 0.000 0.988 59 E CB 0.768 30.480 29.700 0.020 0.000 1.029 59 E HN 0.507 nan 8.360 nan 0.000 0.496 60 E N -0.493 119.696 120.200 -0.018 0.000 2.378 60 E HA 0.383 4.733 4.350 0.000 0.000 0.283 60 E C -2.127 174.441 176.600 -0.052 0.000 0.979 60 E CA -0.762 55.615 56.400 -0.038 0.000 0.795 60 E CB 1.052 30.740 29.700 -0.020 0.000 1.221 60 E HN 0.030 nan 8.360 nan 0.000 0.428 61 L N 3.299 124.469 121.223 -0.089 0.000 2.476 61 L HA 0.510 4.850 4.340 0.000 0.000 0.269 61 L C -1.689 175.121 176.870 -0.101 0.000 0.965 61 L CA -0.266 54.505 54.840 -0.115 0.000 0.845 61 L CB 1.688 43.621 42.059 -0.209 0.000 1.259 61 L HN 0.434 nan 8.230 nan 0.000 0.403 62 E N 6.560 126.718 120.200 -0.071 0.000 2.176 62 E HA 0.479 4.829 4.350 0.000 0.000 0.267 62 E C -0.639 175.932 176.600 -0.049 0.000 0.893 62 E CA -0.235 56.134 56.400 -0.052 0.000 0.761 62 E CB 2.342 32.024 29.700 -0.031 0.000 1.133 62 E HN 0.685 nan 8.360 nan 0.000 0.409 63 L N 2.200 123.408 121.223 -0.024 0.000 3.313 63 L HA 0.223 4.563 4.340 0.000 0.000 0.320 63 L C 0.089 176.968 176.870 0.015 0.000 1.304 63 L CA -0.412 54.430 54.840 0.004 0.000 0.920 63 L CB 0.181 42.269 42.059 0.049 0.000 1.357 63 L HN 0.191 nan 8.230 nan 0.000 0.602 64 N N 0.933 119.636 118.700 0.005 0.000 2.424 64 N HA 0.106 4.846 4.740 0.000 0.000 0.257 64 N C 0.480 176.005 175.510 0.025 0.000 1.250 64 N CA -0.063 52.998 53.050 0.019 0.000 0.946 64 N CB 0.764 39.264 38.487 0.021 0.000 1.175 64 N HN 0.136 nan 8.380 nan 0.000 0.477 65 E N -1.358 118.858 120.200 0.028 0.000 3.065 65 E HA -0.235 4.115 4.350 0.000 0.000 0.277 65 E C -0.335 176.283 176.600 0.031 0.000 1.008 65 E CA 0.795 57.213 56.400 0.030 0.000 0.864 65 E CB -1.197 28.527 29.700 0.040 0.000 1.439 65 E HN 0.543 nan 8.360 nan 0.000 0.445 66 N N -0.305 118.413 118.700 0.031 0.000 2.381 66 N HA 0.380 5.120 4.740 0.000 0.000 0.289 66 N C 0.403 175.930 175.510 0.028 0.000 1.288 66 N CA -0.057 53.013 53.050 0.034 0.000 0.960 66 N CB 0.389 38.900 38.487 0.040 0.000 1.116 66 N HN 0.025 nan 8.380 nan 0.000 0.557 67 I N 1.439 122.025 120.570 0.026 0.000 3.176 67 I HA 0.121 4.291 4.170 0.000 0.000 0.339 67 I C -0.880 175.247 176.117 0.017 0.000 1.505 67 I CA -0.153 61.158 61.300 0.019 0.000 0.969 67 I CB 0.420 38.429 38.000 0.014 0.000 1.636 67 I HN 0.074 nan 8.210 nan 0.000 0.523 68 V N 1.958 121.887 119.914 0.023 0.000 2.409 68 V HA -0.025 4.095 4.120 0.000 0.000 0.270 68 V C 1.404 177.506 176.094 0.013 0.000 1.019 68 V CA 0.645 62.957 62.300 0.021 0.000 1.066 68 V CB 0.701 32.547 31.823 0.038 0.000 1.021 68 V HN 0.545 nan 8.190 nan 0.000 0.476 69 S N 3.547 119.249 115.700 0.003 0.000 2.377 69 S HA 0.269 4.739 4.470 0.000 0.000 0.223 69 S C 0.734 175.329 174.600 -0.008 0.000 1.030 69 S CA 0.931 59.130 58.200 -0.003 0.000 0.970 69 S CB 0.154 63.350 63.200 -0.008 0.000 0.830 69 S HN 1.005 nan 8.310 nan 0.000 0.473 70 A N -0.071 122.740 122.820 -0.014 0.000 2.574 70 A HA 0.684 5.004 4.320 0.000 0.000 0.297 70 A C -1.422 176.142 177.584 -0.033 0.000 1.062 70 A CA -0.463 51.560 52.037 -0.025 0.000 0.686 70 A CB 1.742 20.724 19.000 -0.031 0.000 1.285 70 A HN 0.347 nan 8.150 nan 0.000 0.403 71 V N 1.989 121.877 119.914 -0.043 0.000 2.531 71 V HA 0.571 4.691 4.120 0.000 0.000 0.301 71 V C -0.808 175.235 176.094 -0.085 0.000 1.034 71 V CA -0.527 61.735 62.300 -0.063 0.000 0.865 71 V CB 1.581 33.380 31.823 -0.041 0.000 0.995 71 V HN 0.924 nan 8.190 nan 0.000 0.424 72 E N 6.720 126.860 120.200 -0.100 0.000 2.313 72 E HA 0.413 4.763 4.350 0.000 0.000 0.272 72 E C -2.519 174.016 176.600 -0.107 0.000 1.038 72 E CA -2.153 54.191 56.400 -0.095 0.000 0.863 72 E CB 1.118 30.764 29.700 -0.091 0.000 1.060 72 E HN 0.535 nan 8.360 nan 0.000 0.402 73 P HA 0.035 nan 4.420 nan 0.000 0.265 73 P C 0.162 177.418 177.300 -0.073 0.000 1.193 73 P CA 0.619 63.673 63.100 -0.077 0.000 0.765 73 P CB 0.325 31.992 31.700 -0.056 0.000 0.823 74 G N 2.357 111.122 108.800 -0.059 0.000 2.353 74 G HA2 -0.089 3.872 3.960 0.000 0.000 0.294 74 G HA3 -0.089 3.872 3.960 0.000 0.000 0.294 74 G C 0.837 175.673 174.900 -0.107 0.000 1.077 74 G CA 0.038 45.107 45.100 -0.051 0.000 1.098 74 G HN 0.664 nan 8.290 nan 0.000 0.511 75 A N -0.216 122.479 122.820 -0.209 0.000 1.901 75 A HA 0.566 4.886 4.320 0.000 0.000 0.210 75 A C 1.353 178.747 177.584 -0.316 0.000 1.208 75 A CA 1.266 53.074 52.037 -0.382 0.000 0.644 75 A CB 0.013 18.576 19.000 -0.728 0.000 0.863 75 A HN 0.756 nan 8.150 nan 0.000 0.454 76 F N 1.820 121.795 119.950 0.041 0.000 2.843 76 F HA 0.241 4.768 4.527 0.000 0.000 0.290 76 F C 0.060 175.821 175.800 -0.065 0.000 1.221 76 F CA -0.939 57.056 58.000 -0.009 0.000 1.413 76 F CB -0.910 38.044 39.000 -0.075 0.000 1.019 76 F HN 0.019 nan 8.300 nan 0.000 0.512 77 N N 1.717 120.446 118.700 0.049 0.000 2.492 77 N HA -0.017 4.723 4.740 0.000 0.000 0.262 77 N C 0.768 176.242 175.510 -0.059 0.000 1.202 77 N CA 0.313 53.345 53.050 -0.030 0.000 0.926 77 N CB 0.067 38.548 38.487 -0.011 0.000 1.078 77 N HN 0.282 nan 8.380 nan 0.000 0.454 78 N N 0.677 119.254 118.700 -0.206 0.000 2.815 78 N HA -0.194 4.546 4.740 0.000 0.000 0.248 78 N C -1.308 174.107 175.510 -0.158 0.000 1.110 78 N CA 0.161 53.120 53.050 -0.152 0.000 0.699 78 N CB -0.812 37.693 38.487 0.030 0.000 1.040 78 N HN 0.340 nan 8.380 nan 0.000 0.555 79 L N 1.153 122.192 121.223 -0.305 0.000 2.892 79 L HA 0.358 4.698 4.340 0.000 0.000 0.251 79 L C 0.764 177.538 176.870 -0.159 0.000 1.339 79 L CA -0.286 54.467 54.840 -0.144 0.000 0.900 79 L CB 0.041 42.057 42.059 -0.071 0.000 1.246 79 L HN 0.084 nan 8.230 nan 0.000 0.524 80 F N -0.700 119.265 119.950 0.025 0.000 2.365 80 F HA -0.079 4.448 4.527 0.000 0.000 0.300 80 F C 1.780 177.598 175.800 0.029 0.000 1.090 80 F CA 1.102 59.119 58.000 0.029 0.000 1.408 80 F CB -0.525 38.501 39.000 0.043 0.000 1.060 80 F HN 0.416 nan 8.300 nan 0.000 0.534 81 N N -0.199 118.622 118.700 0.201 0.000 2.446 81 N HA -0.007 4.733 4.740 0.000 0.000 0.179 81 N C 0.404 175.951 175.510 0.062 0.000 1.054 81 N CA -0.266 52.865 53.050 0.136 0.000 0.905 81 N CB 0.127 38.711 38.487 0.160 0.000 0.973 81 N HN 0.029 nan 8.380 nan 0.000 0.448 82 L N 1.313 122.549 121.223 0.022 0.000 2.485 82 L HA 0.015 4.355 4.340 0.000 0.000 0.275 82 L C 0.769 177.612 176.870 -0.045 0.000 1.207 82 L CA 0.944 55.766 54.840 -0.030 0.000 0.855 82 L CB 0.459 42.469 42.059 -0.081 0.000 1.114 82 L HN 0.038 nan 8.230 nan 0.000 0.485 83 R N 1.418 121.885 120.500 -0.055 0.000 2.519 83 R HA 0.259 4.600 4.340 0.000 0.000 0.375 83 R C -0.730 175.523 176.300 -0.079 0.000 0.926 83 R CA -0.078 55.985 56.100 -0.061 0.000 1.166 83 R CB 0.738 31.017 30.300 -0.035 0.000 1.626 83 R HN 0.680 nan 8.270 nan 0.000 0.529 84 T N 0.888 115.386 114.554 -0.094 0.000 2.993 84 T HA 0.443 4.793 4.350 0.000 0.000 0.312 84 T C -2.067 172.550 174.700 -0.139 0.000 1.115 84 T CA -0.471 61.567 62.100 -0.102 0.000 1.027 84 T CB 2.202 71.027 68.868 -0.071 0.000 1.116 84 T HN -0.064 nan 8.240 nan 0.000 0.464 85 L N 2.528 123.661 121.223 -0.151 0.000 2.436 85 L HA 0.854 5.194 4.340 0.000 0.000 0.268 85 L C -0.384 176.417 176.870 -0.115 0.000 0.974 85 L CA -0.056 54.674 54.840 -0.184 0.000 0.826 85 L CB 1.767 43.647 42.059 -0.299 0.000 1.291 85 L HN 0.773 nan 8.230 nan 0.000 0.406 86 G N 4.956 113.703 108.800 -0.088 0.000 2.422 86 G HA2 0.590 4.550 3.960 0.000 0.000 0.317 86 G HA3 0.590 4.550 3.960 0.000 0.000 0.317 86 G C -0.503 174.389 174.900 -0.013 0.000 1.210 86 G CA -0.304 44.772 45.100 -0.041 0.000 0.930 86 G HN 0.629 nan 8.290 nan 0.000 0.468 87 L N 2.062 123.293 121.223 0.013 0.000 3.431 87 L HA 0.308 4.648 4.340 0.000 0.000 0.316 87 L C 1.049 177.946 176.870 0.045 0.000 1.305 87 L CA -0.585 54.283 54.840 0.047 0.000 0.995 87 L CB 0.420 42.530 42.059 0.084 0.000 1.411 87 L HN 0.533 nan 8.230 nan 0.000 0.610 88 R N 0.654 121.170 120.500 0.028 0.000 2.570 88 R HA 0.122 4.462 4.340 0.000 0.000 0.277 88 R C 0.789 177.103 176.300 0.022 0.000 1.039 88 R CA 0.873 56.987 56.100 0.023 0.000 1.065 88 R CB 0.505 30.811 30.300 0.011 0.000 0.964 88 R HN 0.147 nan 8.270 nan 0.000 0.428 89 S N 2.374 118.086 115.700 0.019 0.000 3.797 89 S HA -0.145 4.325 4.470 0.000 0.000 0.374 89 S C -0.753 173.860 174.600 0.020 0.000 0.970 89 S CA 0.824 59.032 58.200 0.014 0.000 1.177 89 S CB -1.299 61.904 63.200 0.005 0.000 0.891 89 S HN 0.912 nan 8.310 nan 0.000 0.491 90 N N 0.583 119.299 118.700 0.027 0.000 2.992 90 N HA 0.450 5.191 4.740 0.000 0.000 0.338 90 N C 0.366 175.890 175.510 0.023 0.000 1.376 90 N CA -0.904 52.163 53.050 0.028 0.000 0.778 90 N CB 0.402 38.912 38.487 0.039 0.000 1.232 90 N HN 0.147 nan 8.380 nan 0.000 0.581 91 R N 0.759 121.272 120.500 0.021 0.000 2.652 91 R HA 0.379 4.719 4.340 0.000 0.000 0.372 91 R C -0.520 175.789 176.300 0.015 0.000 1.104 91 R CA -0.281 55.828 56.100 0.015 0.000 1.072 91 R CB -0.564 29.742 30.300 0.009 0.000 1.367 91 R HN 0.427 nan 8.270 nan 0.000 0.577 92 L N 1.547 122.783 121.223 0.022 0.000 2.500 92 L HA 0.101 4.441 4.340 0.000 0.000 0.272 92 L C 1.341 178.221 176.870 0.017 0.000 1.149 92 L CA 0.297 55.149 54.840 0.020 0.000 0.897 92 L CB 0.595 42.675 42.059 0.036 0.000 1.178 92 L HN -0.059 nan 8.230 nan 0.000 0.473 93 K N 3.329 123.732 120.400 0.005 0.000 2.314 93 K HA 0.159 4.479 4.320 0.000 0.000 0.198 93 K C -0.351 176.247 176.600 -0.002 0.000 1.045 93 K CA 0.473 56.762 56.287 0.002 0.000 0.988 93 K CB 0.328 32.825 32.500 -0.004 0.000 0.783 93 K HN 0.386 nan 8.250 nan 0.000 0.484 94 L N 0.039 121.256 121.223 -0.010 0.000 2.795 94 L HA 0.331 4.671 4.340 0.000 0.000 0.260 94 L C -1.719 175.125 176.870 -0.044 0.000 0.935 94 L CA -0.361 54.463 54.840 -0.027 0.000 0.985 94 L CB 1.229 43.269 42.059 -0.031 0.000 1.433 94 L HN -0.073 nan 8.230 nan 0.000 0.447 95 I N 6.986 127.520 120.570 -0.060 0.000 2.322 95 I HA 0.339 4.509 4.170 0.000 0.000 0.292 95 I C -1.726 174.297 176.117 -0.157 0.000 1.060 95 I CA -1.357 59.866 61.300 -0.128 0.000 1.309 95 I CB 0.567 38.471 38.000 -0.160 0.000 1.415 95 I HN 0.541 nan 8.210 nan 0.000 0.492 96 P HA 0.201 nan 4.420 nan 0.000 0.277 96 P C -0.432 176.785 177.300 -0.138 0.000 1.271 96 P CA -0.747 62.284 63.100 -0.115 0.000 0.795 96 P CB 0.654 32.301 31.700 -0.088 0.000 1.101 97 L N 0.291 121.464 121.223 -0.084 0.000 2.483 97 L HA 0.314 4.654 4.340 0.000 0.000 0.275 97 L C 1.560 178.391 176.870 -0.065 0.000 1.220 97 L CA 2.227 57.032 54.840 -0.059 0.000 0.833 97 L CB -0.738 41.308 42.059 -0.022 0.000 1.102 97 L HN 0.829 nan 8.230 nan 0.000 0.490 98 G N 1.961 110.739 108.800 -0.037 0.000 2.358 98 G HA2 -0.297 3.663 3.960 0.000 0.000 0.224 98 G HA3 -0.297 3.663 3.960 0.000 0.000 0.224 98 G C 0.917 175.795 174.900 -0.035 0.000 1.073 98 G CA 0.273 45.360 45.100 -0.022 0.000 0.635 98 G HN 0.624 nan 8.290 nan 0.000 0.509 99 V N 0.859 120.693 119.914 -0.134 0.000 2.317 99 V HA -0.173 3.947 4.120 0.000 0.000 0.251 99 V C 2.400 178.459 176.094 -0.058 0.000 1.065 99 V CA 2.872 65.066 62.300 -0.177 0.000 1.049 99 V CB -0.664 30.903 31.823 -0.427 0.000 0.651 99 V HN 0.400 nan 8.190 nan 0.000 0.450 100 F N 0.365 120.362 119.950 0.079 0.000 2.569 100 F HA 0.067 4.594 4.527 0.000 0.000 0.295 100 F C 1.714 177.526 175.800 0.020 0.000 1.115 100 F CA -0.059 57.968 58.000 0.045 0.000 1.450 100 F CB -1.401 37.621 39.000 0.037 0.000 1.107 100 F HN 0.163 nan 8.300 nan 0.000 0.563 101 T N -1.126 113.543 114.554 0.193 0.000 2.939 101 T HA 0.343 4.693 4.350 0.000 0.000 0.319 101 T C 1.584 176.327 174.700 0.072 0.000 1.082 101 T CA 0.412 62.583 62.100 0.119 0.000 1.133 101 T CB 0.695 69.620 68.868 0.096 0.000 1.019 101 T HN 0.558 nan 8.240 nan 0.000 0.548 102 G N 1.381 110.201 108.800 0.033 0.000 2.320 102 G HA2 -0.253 3.707 3.960 0.000 0.000 0.242 102 G HA3 -0.253 3.707 3.960 0.000 0.000 0.242 102 G C 0.461 175.291 174.900 -0.118 0.000 1.033 102 G CA 0.169 45.233 45.100 -0.060 0.000 0.620 102 G HN 0.751 nan 8.290 nan 0.000 0.517 103 L N 2.606 123.791 121.223 -0.063 0.000 2.928 103 L HA 0.323 4.663 4.340 0.000 0.000 0.236 103 L C 2.247 179.024 176.870 -0.156 0.000 1.290 103 L CA 0.623 55.401 54.840 -0.103 0.000 1.099 103 L CB 0.520 42.533 42.059 -0.075 0.000 1.437 103 L HN 0.419 nan 8.230 nan 0.000 0.493 104 S N -1.789 113.795 115.700 -0.193 0.000 2.515 104 S HA -0.041 4.429 4.470 0.000 0.000 0.231 104 S C 1.328 175.730 174.600 -0.330 0.000 0.987 104 S CA 0.416 58.350 58.200 -0.444 0.000 0.936 104 S CB -0.109 62.750 63.200 -0.568 0.000 0.766 104 S HN 0.486 nan 8.310 nan 0.000 0.528 105 N N 0.940 119.556 118.700 -0.141 0.000 2.336 105 N HA 0.234 4.974 4.740 0.000 0.000 0.189 105 N C -0.092 175.366 175.510 -0.087 0.000 1.113 105 N CA -0.064 52.944 53.050 -0.070 0.000 0.858 105 N CB -0.202 38.297 38.487 0.020 0.000 0.970 105 N HN 0.370 nan 8.380 nan 0.000 0.471 106 L N 0.824 121.969 121.223 -0.131 0.000 2.456 106 L HA 0.031 4.371 4.340 0.000 0.000 0.272 106 L C 1.276 178.072 176.870 -0.122 0.000 1.189 106 L CA 0.905 55.665 54.840 -0.133 0.000 0.846 106 L CB 0.763 42.720 42.059 -0.169 0.000 1.111 106 L HN -0.041 nan 8.230 nan 0.000 0.475 107 T N 2.556 117.048 114.554 -0.103 0.000 3.056 107 T HA 0.142 4.493 4.350 0.000 0.000 0.241 107 T C 0.205 174.844 174.700 -0.102 0.000 1.006 107 T CA 0.202 62.250 62.100 -0.088 0.000 1.115 107 T CB 0.137 68.967 68.868 -0.063 0.000 0.939 107 T HN 0.427 nan 8.240 nan 0.000 0.462 108 K N 1.016 121.351 120.400 -0.108 0.000 2.471 108 K HA 0.593 4.913 4.320 0.000 0.000 0.252 108 K C -2.181 174.347 176.600 -0.121 0.000 0.938 108 K CA -0.780 55.442 56.287 -0.107 0.000 0.796 108 K CB 1.750 34.201 32.500 -0.082 0.000 1.161 108 K HN 0.027 nan 8.250 nan 0.000 0.425 109 L N 3.192 124.338 121.223 -0.128 0.000 2.410 109 L HA 0.505 4.845 4.340 0.000 0.000 0.270 109 L C -1.616 175.204 176.870 -0.083 0.000 0.983 109 L CA -0.278 54.490 54.840 -0.119 0.000 0.822 109 L CB 1.876 43.843 42.059 -0.155 0.000 1.285 109 L HN 0.619 nan 8.230 nan 0.000 0.409 110 D N 4.423 124.794 120.400 -0.048 0.000 2.278 110 D HA 0.467 5.107 4.640 0.000 0.000 0.245 110 D C -0.071 176.243 176.300 0.024 0.000 1.052 110 D CA -0.173 53.816 54.000 -0.018 0.000 0.834 110 D CB 1.646 42.436 40.800 -0.017 0.000 1.194 110 D HN 0.502 nan 8.370 nan 0.000 0.481 111 I N 1.736 122.334 120.570 0.047 0.000 4.481 111 I HA -0.024 4.146 4.170 0.000 0.000 0.353 111 I C 0.481 176.648 176.117 0.082 0.000 1.296 111 I CA 0.026 61.386 61.300 0.099 0.000 1.228 111 I CB -0.296 37.814 38.000 0.182 0.000 1.725 111 I HN 0.282 nan 8.210 nan 0.000 0.608 112 S N 1.664 117.393 115.700 0.049 0.000 2.624 112 S HA 0.231 4.701 4.470 0.000 0.000 0.263 112 S C 0.838 175.453 174.600 0.025 0.000 1.287 112 S CA -0.174 58.048 58.200 0.037 0.000 0.990 112 S CB 0.704 63.915 63.200 0.018 0.000 0.950 112 S HN 0.398 nan 8.310 nan 0.000 0.561 113 E N -0.552 119.656 120.200 0.014 0.000 2.294 113 E HA -0.328 4.022 4.350 0.000 0.000 0.228 113 E C -0.271 176.337 176.600 0.013 0.000 1.253 113 E CA 0.795 57.196 56.400 0.002 0.000 0.716 113 E CB -2.439 27.248 29.700 -0.021 0.000 1.184 113 E HN 0.672 nan 8.360 nan 0.000 0.374 114 N N 0.569 119.285 118.700 0.028 0.000 2.718 114 N HA 0.227 4.967 4.740 0.000 0.000 0.298 114 N C 0.607 176.131 175.510 0.023 0.000 1.369 114 N CA -0.590 52.478 53.050 0.030 0.000 0.839 114 N CB 0.331 38.845 38.487 0.046 0.000 1.108 114 N HN 0.005 nan 8.380 nan 0.000 0.489 115 K N 0.873 121.288 120.400 0.025 0.000 2.469 115 K HA 0.397 4.717 4.320 0.000 0.000 0.204 115 K C -0.284 176.327 176.600 0.019 0.000 1.047 115 K CA -0.306 55.991 56.287 0.018 0.000 1.072 115 K CB 0.157 32.664 32.500 0.012 0.000 0.863 115 K HN 0.411 nan 8.250 nan 0.000 0.530 116 I N 1.540 122.127 120.570 0.028 0.000 2.683 116 I HA -0.117 4.053 4.170 0.000 0.000 0.286 116 I C 1.555 177.687 176.117 0.025 0.000 1.175 116 I CA -0.012 61.305 61.300 0.028 0.000 1.429 116 I CB 0.810 38.838 38.000 0.047 0.000 1.371 116 I HN -0.221 nan 8.210 nan 0.000 0.569 117 V N 6.506 126.431 119.914 0.019 0.000 2.795 117 V HA 0.159 4.279 4.120 0.000 0.000 0.243 117 V C 0.472 176.587 176.094 0.035 0.000 1.069 117 V CA 0.675 62.988 62.300 0.023 0.000 1.089 117 V CB -0.283 31.549 31.823 0.015 0.000 0.756 117 V HN 0.700 nan 8.190 nan 0.000 0.471 118 I N -1.803 118.782 120.570 0.025 0.000 2.802 118 I HA 0.556 4.726 4.170 0.000 0.000 0.298 118 I C -1.414 174.686 176.117 -0.028 0.000 1.176 118 I CA -0.880 60.439 61.300 0.030 0.000 1.025 118 I CB 2.462 40.504 38.000 0.070 0.000 1.243 118 I HN -0.152 nan 8.210 nan 0.000 0.424 119 L N 5.695 126.861 121.223 -0.094 0.000 2.295 119 L HA 0.554 4.895 4.340 0.000 0.000 0.281 119 L C -0.288 176.449 176.870 -0.223 0.000 1.018 119 L CA -0.446 54.298 54.840 -0.159 0.000 0.841 119 L CB 1.406 43.348 42.059 -0.195 0.000 1.218 119 L HN 0.521 nan 8.230 nan 0.000 0.424 120 L N 1.213 122.324 121.223 -0.186 0.000 2.448 120 L HA 0.377 4.717 4.340 0.000 0.000 0.258 120 L C 0.136 176.837 176.870 -0.282 0.000 1.104 120 L CA -0.992 53.730 54.840 -0.196 0.000 0.800 120 L CB 0.699 42.688 42.059 -0.117 0.000 1.241 120 L HN 0.466 nan 8.230 nan 0.000 0.472 121 D N 0.091 120.278 120.400 -0.355 0.000 2.488 121 D HA 0.020 4.660 4.640 0.000 0.000 0.238 121 D C -0.174 175.818 176.300 -0.514 0.000 1.138 121 D CA 0.633 54.237 54.000 -0.660 0.000 0.873 121 D CB 0.192 40.374 40.800 -1.030 0.000 1.183 121 D HN 0.424 nan 8.370 nan 0.000 0.458 122 Y N -1.187 119.068 120.300 -0.075 0.000 4.798 122 Y HA -0.336 4.215 4.550 0.000 0.000 0.237 122 Y C 1.882 177.749 175.900 -0.055 0.000 1.017 122 Y CA 0.193 58.276 58.100 -0.028 0.000 2.010 122 Y CB -2.501 35.955 38.460 -0.006 0.000 1.582 122 Y HN 0.456 nan 8.280 nan 0.000 0.621 123 M N -1.252 118.287 119.600 -0.102 0.000 2.103 123 M HA -0.247 4.233 4.480 0.000 0.000 0.255 123 M C 1.129 177.250 176.300 -0.297 0.000 1.074 123 M CA 2.282 57.379 55.300 -0.338 0.000 1.090 123 M CB -0.377 31.707 32.600 -0.859 0.000 1.325 123 M HN 0.347 nan 8.290 nan 0.000 0.403 124 F N -1.240 118.769 119.950 0.097 0.000 2.647 124 F HA 0.154 4.681 4.527 0.000 0.000 0.300 124 F C 1.983 177.799 175.800 0.026 0.000 1.106 124 F CA -0.157 57.829 58.000 -0.024 0.000 1.313 124 F CB -0.524 38.430 39.000 -0.077 0.000 1.007 124 F HN 0.178 nan 8.300 nan 0.000 0.536 125 Q N 0.701 120.639 119.800 0.229 0.000 2.297 125 Q HA -0.200 4.140 4.340 0.000 0.000 0.208 125 Q C 1.166 177.302 176.000 0.226 0.000 0.981 125 Q CA 1.422 57.358 55.803 0.221 0.000 0.876 125 Q CB -0.000 28.854 28.738 0.194 0.000 0.921 125 Q HN 0.403 nan 8.270 nan 0.000 0.446 126 D N -0.069 120.450 120.400 0.199 0.000 2.317 126 D HA -0.023 4.617 4.640 0.000 0.000 0.211 126 D C 0.209 176.520 176.300 0.018 0.000 0.966 126 D CA 0.514 54.625 54.000 0.184 0.000 0.876 126 D CB 0.252 41.175 40.800 0.204 0.000 0.927 126 D HN 0.257 nan 8.370 nan 0.000 0.519 127 L N 2.201 123.408 121.223 -0.025 0.000 2.598 127 L HA 0.140 4.480 4.340 0.000 0.000 0.241 127 L C 0.851 177.670 176.870 -0.086 0.000 1.244 127 L CA -0.550 54.192 54.840 -0.163 0.000 1.198 127 L CB -0.391 41.545 42.059 -0.206 0.000 1.448 127 L HN 0.035 nan 8.230 nan 0.000 0.406 128 Y N -2.045 118.270 120.300 0.025 0.000 2.509 128 Y HA 0.061 4.612 4.550 0.000 0.000 0.293 128 Y C 1.679 177.589 175.900 0.017 0.000 1.133 128 Y CA 0.210 58.329 58.100 0.032 0.000 1.283 128 Y CB -0.441 38.045 38.460 0.044 0.000 1.001 128 Y HN 0.334 nan 8.280 nan 0.000 0.555 129 N N 0.548 119.220 118.700 -0.047 0.000 2.236 129 N HA 0.076 4.816 4.740 0.000 0.000 0.196 129 N C -0.144 175.338 175.510 -0.047 0.000 1.114 129 N CA -0.109 52.937 53.050 -0.008 0.000 0.859 129 N CB 0.272 38.734 38.487 -0.042 0.000 0.982 129 N HN 0.265 nan 8.380 nan 0.000 0.493 130 L N 1.612 122.787 121.223 -0.081 0.000 2.525 130 L HA -0.048 4.292 4.340 0.000 0.000 0.278 130 L C 1.285 178.108 176.870 -0.078 0.000 1.218 130 L CA 0.860 55.638 54.840 -0.103 0.000 0.878 130 L CB 0.657 42.629 42.059 -0.145 0.000 1.127 130 L HN -0.079 nan 8.230 nan 0.000 0.492 131 K N 1.331 121.680 120.400 -0.085 0.000 2.387 131 K HA 0.192 4.512 4.320 0.000 0.000 0.197 131 K C -0.037 176.507 176.600 -0.093 0.000 1.127 131 K CA 0.554 56.798 56.287 -0.072 0.000 0.950 131 K CB 0.596 33.063 32.500 -0.054 0.000 1.017 131 K HN 0.769 nan 8.250 nan 0.000 0.519 132 S N 0.397 116.031 115.700 -0.110 0.000 2.569 132 S HA 0.650 5.120 4.470 0.000 0.000 0.280 132 S C -1.284 173.222 174.600 -0.156 0.000 1.111 132 S CA -0.981 57.144 58.200 -0.125 0.000 0.887 132 S CB 2.131 65.273 63.200 -0.097 0.000 1.095 132 S HN 0.056 nan 8.310 nan 0.000 0.476 133 L N 1.085 122.202 121.223 -0.177 0.000 2.528 133 L HA 0.569 4.909 4.340 0.000 0.000 0.267 133 L C -1.254 175.522 176.870 -0.156 0.000 0.961 133 L CA -0.126 54.589 54.840 -0.209 0.000 0.866 133 L CB 1.826 43.683 42.059 -0.338 0.000 1.248 133 L HN 0.901 nan 8.230 nan 0.000 0.404 134 E N 3.964 124.103 120.200 -0.102 0.000 2.175 134 E HA 0.687 5.037 4.350 0.000 0.000 0.278 134 E C -1.384 175.204 176.600 -0.019 0.000 0.969 134 E CA -0.637 55.732 56.400 -0.052 0.000 0.796 134 E CB 2.913 32.596 29.700 -0.029 0.000 1.104 134 E HN 0.437 nan 8.360 nan 0.000 0.395 135 V N 1.255 121.180 119.914 0.018 0.000 3.178 135 V HA 0.824 4.944 4.120 0.000 0.000 0.302 135 V C -1.208 174.936 176.094 0.083 0.000 1.262 135 V CA 0.355 62.701 62.300 0.076 0.000 1.030 135 V CB 2.020 33.925 31.823 0.136 0.000 1.074 135 V HN 0.882 nan 8.190 nan 0.000 0.438 136 G N 3.863 112.715 108.800 0.086 0.000 2.764 136 G HA2 0.469 4.429 3.960 0.000 0.000 0.678 136 G HA3 0.469 4.429 3.960 0.000 0.000 0.678 136 G C -1.564 173.360 174.900 0.040 0.000 1.341 136 G CA 0.029 45.169 45.100 0.067 0.000 0.836 136 G HN 1.776 nan 8.290 nan 0.000 0.632 137 D N -0.369 120.050 120.400 0.032 0.000 2.643 137 D HA 0.509 5.149 4.640 0.000 0.000 0.283 137 D C 0.802 177.109 176.300 0.012 0.000 1.242 137 D CA -0.861 53.148 54.000 0.016 0.000 0.863 137 D CB 0.312 41.124 40.800 0.021 0.000 1.382 137 D HN 0.152 nan 8.370 nan 0.000 0.444 138 N N -0.201 118.501 118.700 0.004 0.000 2.223 138 N HA -0.091 4.650 4.740 0.000 0.000 0.185 138 N C 0.415 175.932 175.510 0.012 0.000 1.016 138 N CA 1.012 54.066 53.050 0.006 0.000 0.863 138 N CB -0.247 38.241 38.487 0.001 0.000 0.983 138 N HN 0.430 nan 8.380 nan 0.000 0.429 139 D N 0.377 120.785 120.400 0.014 0.000 2.224 139 D HA -0.044 4.596 4.640 0.000 0.000 0.205 139 D C 0.581 176.894 176.300 0.022 0.000 0.965 139 D CA 0.051 54.061 54.000 0.016 0.000 0.852 139 D CB -0.218 40.591 40.800 0.014 0.000 0.947 139 D HN 0.139 nan 8.370 nan 0.000 0.494 140 L N 1.018 122.256 121.223 0.026 0.000 2.562 140 L HA -0.002 4.338 4.340 0.000 0.000 0.271 140 L C 0.890 177.782 176.870 0.037 0.000 1.167 140 L CA 0.312 55.172 54.840 0.033 0.000 0.917 140 L CB 1.031 43.111 42.059 0.035 0.000 1.187 140 L HN -0.200 nan 8.230 nan 0.000 0.482 141 V N 6.138 126.085 119.914 0.056 0.000 3.484 141 V HA 0.242 4.362 4.120 0.000 0.000 0.252 141 V C -0.775 175.407 176.094 0.147 0.000 1.282 141 V CA -0.094 62.250 62.300 0.074 0.000 1.104 141 V CB 0.346 32.202 31.823 0.056 0.000 0.868 141 V HN 0.797 nan 8.190 nan 0.000 0.457 142 Y N 0.039 120.321 120.300 -0.030 0.000 2.441 142 Y HA 0.626 5.176 4.550 0.000 0.000 0.334 142 Y C -1.018 174.845 175.900 -0.061 0.000 1.061 142 Y CA -1.524 56.549 58.100 -0.044 0.000 1.032 142 Y CB 1.699 40.124 38.460 -0.059 0.000 1.266 142 Y HN 0.035 nan 8.280 nan 0.000 0.441 143 I N 5.638 125.790 120.570 -0.698 0.000 2.389 143 I HA 0.379 4.549 4.170 0.000 0.000 0.288 143 I C -0.049 175.439 176.117 -1.048 0.000 0.999 143 I CA -0.711 60.189 61.300 -0.668 0.000 1.129 143 I CB 1.786 39.584 38.000 -0.337 0.000 1.288 143 I HN 0.707 nan 8.210 nan 0.000 0.444 144 S N 4.385 119.592 115.700 -0.823 0.000 2.614 144 S HA 0.224 4.694 4.470 0.000 0.000 0.265 144 S C 1.124 175.482 174.600 -0.404 0.000 1.303 144 S CA -0.372 57.437 58.200 -0.651 0.000 1.000 144 S CB 0.789 63.772 63.200 -0.361 0.000 0.935 144 S HN 0.562 nan 8.310 nan 0.000 0.551 145 H N 1.439 120.396 119.070 -0.189 0.000 2.387 145 H HA 0.051 4.607 4.556 0.000 0.000 0.299 145 H C 1.308 176.489 175.328 -0.244 0.000 1.090 145 H CA 1.537 57.526 56.048 -0.097 0.000 1.332 145 H CB -0.155 29.627 29.762 0.032 0.000 1.386 145 H HN 0.608 nan 8.280 nan 0.000 0.516 146 R N 0.568 120.898 120.500 -0.283 0.000 2.515 146 R HA 0.343 4.683 4.340 0.000 0.000 0.294 146 R C 1.621 177.654 176.300 -0.445 0.000 1.021 146 R CA 0.247 56.032 56.100 -0.524 0.000 1.081 146 R CB 0.518 30.496 30.300 -0.536 0.000 1.263 146 R HN 0.152 nan 8.270 nan 0.000 0.557 147 A N 0.375 122.948 122.820 -0.411 0.000 2.015 147 A HA -0.082 4.238 4.320 0.000 0.000 0.219 147 A C 1.072 178.471 177.584 -0.308 0.000 1.163 147 A CA 1.083 52.852 52.037 -0.447 0.000 0.646 147 A CB -0.121 18.504 19.000 -0.626 0.000 0.806 147 A HN 0.238 nan 8.150 nan 0.000 0.448 148 F N -0.199 119.773 119.950 0.036 0.000 2.695 148 F HA 0.268 4.795 4.527 0.000 0.000 0.303 148 F C 1.305 177.153 175.800 0.080 0.000 1.091 148 F CA -0.372 57.689 58.000 0.102 0.000 1.300 148 F CB -0.173 38.842 39.000 0.025 0.000 1.071 148 F HN 0.053 nan 8.300 nan 0.000 0.578 149 S N 0.275 116.053 115.700 0.130 0.000 2.525 149 S HA 0.394 4.864 4.470 0.000 0.000 0.285 149 S C 1.210 175.957 174.600 0.244 0.000 1.283 149 S CA 0.968 59.256 58.200 0.146 0.000 1.072 149 S CB 0.234 63.470 63.200 0.061 0.000 0.867 149 S HN 0.819 nan 8.310 nan 0.000 0.492 150 G N 3.677 112.617 108.800 0.233 0.000 2.253 150 G HA2 -0.180 3.780 3.960 0.000 0.000 0.209 150 G HA3 -0.180 3.780 3.960 0.000 0.000 0.209 150 G C 0.143 175.165 174.900 0.203 0.000 0.997 150 G CA -0.068 45.162 45.100 0.217 0.000 0.640 150 G HN 0.752 nan 8.290 nan 0.000 0.496 151 L N 2.368 123.703 121.223 0.185 0.000 2.437 151 L HA 0.273 4.613 4.340 0.000 0.000 0.243 151 L C 1.437 178.373 176.870 0.109 0.000 1.346 151 L CA -0.614 54.297 54.840 0.119 0.000 1.233 151 L CB -0.069 42.023 42.059 0.055 0.000 1.436 151 L HN 0.060 nan 8.230 nan 0.000 0.416 152 N N -0.382 118.401 118.700 0.139 0.000 2.348 152 N HA -0.131 4.609 4.740 0.000 0.000 0.185 152 N C 1.310 176.878 175.510 0.097 0.000 1.019 152 N CA 0.957 54.085 53.050 0.130 0.000 0.880 152 N CB 0.149 38.714 38.487 0.131 0.000 0.965 152 N HN 0.347 nan 8.380 nan 0.000 0.437 153 S N -0.323 115.423 115.700 0.075 0.000 2.559 153 S HA 0.211 4.681 4.470 0.000 0.000 0.226 153 S C 0.286 174.889 174.600 0.006 0.000 1.000 153 S CA -0.591 57.636 58.200 0.045 0.000 0.948 153 S CB 0.587 63.817 63.200 0.049 0.000 0.870 153 S HN 0.128 nan 8.310 nan 0.000 0.497 154 L N 2.651 123.867 121.223 -0.011 0.000 2.525 154 L HA 0.066 4.406 4.340 0.000 0.000 0.278 154 L C 0.926 177.764 176.870 -0.053 0.000 1.218 154 L CA 1.268 56.072 54.840 -0.060 0.000 0.878 154 L CB 0.409 42.407 42.059 -0.101 0.000 1.127 154 L HN 0.136 nan 8.230 nan 0.000 0.492 155 E N 1.904 122.064 120.200 -0.068 0.000 2.474 155 E HA 0.160 4.510 4.350 0.000 0.000 0.215 155 E C -0.503 176.050 176.600 -0.078 0.000 0.867 155 E CA 0.018 56.382 56.400 -0.059 0.000 1.135 155 E CB 0.615 30.287 29.700 -0.046 0.000 1.147 155 E HN 0.635 nan 8.360 nan 0.000 0.534 156 Q N 1.090 120.831 119.800 -0.098 0.000 2.323 156 Q HA 0.492 4.832 4.340 0.000 0.000 0.271 156 Q C -1.489 174.424 176.000 -0.145 0.000 1.048 156 Q CA -0.739 55.001 55.803 -0.106 0.000 0.792 156 Q CB 3.007 31.693 28.738 -0.087 0.000 1.280 156 Q HN -0.024 nan 8.270 nan 0.000 0.441 157 L N 1.114 122.243 121.223 -0.155 0.000 2.365 157 L HA 0.619 4.959 4.340 0.000 0.000 0.273 157 L C -1.170 175.628 176.870 -0.120 0.000 1.000 157 L CA 0.049 54.769 54.840 -0.200 0.000 0.819 157 L CB 2.460 44.324 42.059 -0.325 0.000 1.284 157 L HN 0.546 nan 8.230 nan 0.000 0.418 158 T N 5.707 120.203 114.554 -0.097 0.000 2.833 158 T HA 0.490 4.840 4.350 0.000 0.000 0.297 158 T C -0.945 173.755 174.700 -0.000 0.000 1.015 158 T CA -0.174 61.910 62.100 -0.027 0.000 0.963 158 T CB 0.956 69.816 68.868 -0.013 0.000 0.955 158 T HN 0.489 nan 8.240 nan 0.000 0.449 159 L N 4.753 126.003 121.223 0.045 0.000 2.265 159 L HA 0.559 4.899 4.340 0.000 0.000 0.289 159 L C -0.106 176.825 176.870 0.102 0.000 1.033 159 L CA -0.221 54.668 54.840 0.082 0.000 0.814 159 L CB 0.322 42.446 42.059 0.108 0.000 1.203 159 L HN 0.718 nan 8.230 nan 0.000 0.423 160 E N 3.778 124.028 120.200 0.084 0.000 2.314 160 E HA 0.488 4.838 4.350 0.000 0.000 0.272 160 E C -0.838 175.795 176.600 0.056 0.000 0.884 160 E CA -0.931 55.525 56.400 0.094 0.000 0.753 160 E CB 1.365 31.119 29.700 0.090 0.000 1.213 160 E HN 0.468 nan 8.360 nan 0.000 0.432 161 K N -0.157 120.282 120.400 0.064 0.000 3.251 161 K HA -0.115 4.205 4.320 0.000 0.000 0.282 161 K C -0.884 175.723 176.600 0.011 0.000 1.201 161 K CA 0.699 56.999 56.287 0.022 0.000 0.827 161 K CB -2.544 29.929 32.500 -0.046 0.000 1.286 161 K HN 0.670 nan 8.250 nan 0.000 0.503 162 C N 0.385 119.688 119.300 0.005 0.000 2.358 162 C HA 0.338 4.798 4.460 0.000 0.000 0.354 162 C C 1.101 176.083 174.990 -0.012 0.000 1.183 162 C CA -0.978 58.040 59.018 0.001 0.000 2.150 162 C CB 1.124 28.866 27.740 0.004 0.000 2.361 162 C HN 0.294 nan 8.230 nan 0.000 0.535 163 N N 1.469 120.171 118.700 0.002 0.000 3.052 163 N HA 0.310 5.050 4.740 0.000 0.000 0.302 163 N C -0.693 174.817 175.510 -0.000 0.000 1.332 163 N CA 0.143 53.195 53.050 0.004 0.000 1.129 163 N CB -0.341 38.155 38.487 0.016 0.000 1.436 163 N HN 0.541 nan 8.380 nan 0.000 0.536 164 L N -0.085 121.124 121.223 -0.024 0.000 2.326 164 L HA 0.244 4.584 4.340 0.000 0.000 0.278 164 L C 1.797 178.641 176.870 -0.043 0.000 1.092 164 L CA -0.347 54.481 54.840 -0.021 0.000 0.810 164 L CB 1.164 43.204 42.059 -0.032 0.000 1.153 164 L HN 0.218 nan 8.230 nan 0.000 0.439 165 T N -2.687 111.859 114.554 -0.013 0.000 3.067 165 T HA 0.067 4.417 4.350 0.000 0.000 0.261 165 T C 0.641 175.329 174.700 -0.018 0.000 1.110 165 T CA 0.459 62.550 62.100 -0.015 0.000 1.113 165 T CB 0.027 68.897 68.868 0.003 0.000 0.917 165 T HN 0.641 nan 8.240 nan 0.000 0.499 166 S N -0.280 115.409 115.700 -0.018 0.000 2.625 166 S HA 0.621 5.092 4.470 0.000 0.000 0.271 166 S C -0.867 173.724 174.600 -0.014 0.000 1.161 166 S CA -1.274 56.920 58.200 -0.009 0.000 0.820 166 S CB 0.708 63.919 63.200 0.018 0.000 1.137 166 S HN 0.262 nan 8.310 nan 0.000 0.470 167 I N 2.611 123.181 120.570 0.000 0.000 2.598 167 I HA 0.220 4.390 4.170 0.000 0.000 0.284 167 I C -1.787 174.334 176.117 0.007 0.000 1.140 167 I CA -1.576 59.729 61.300 0.008 0.000 1.420 167 I CB 0.600 38.574 38.000 -0.043 0.000 1.387 167 I HN 0.492 nan 8.210 nan 0.000 0.553 168 P HA 0.083 nan 4.420 nan 0.000 0.244 168 P C 0.512 177.857 177.300 0.075 0.000 1.769 168 P CA -0.131 63.010 63.100 0.067 0.000 1.102 168 P CB 0.203 31.958 31.700 0.092 0.000 1.937 169 T N 0.555 115.123 114.554 0.022 0.000 2.643 169 T HA -0.174 4.176 4.350 0.000 0.000 0.264 169 T C 1.570 176.288 174.700 0.029 0.000 1.045 169 T CA 1.303 63.397 62.100 -0.009 0.000 1.155 169 T CB -0.276 68.560 68.868 -0.054 0.000 0.863 169 T HN 0.395 nan 8.240 nan 0.000 0.420 170 E N 0.561 120.772 120.200 0.019 0.000 2.204 170 E HA -0.087 4.263 4.350 0.000 0.000 0.195 170 E C 2.340 179.034 176.600 0.156 0.000 0.990 170 E CA 0.765 57.156 56.400 -0.016 0.000 0.821 170 E CB -0.128 29.406 29.700 -0.276 0.000 0.750 170 E HN 0.467 nan 8.360 nan 0.000 0.477 171 A N 0.844 123.794 122.820 0.217 0.000 1.873 171 A HA -0.140 4.180 4.320 0.000 0.000 0.215 171 A C 2.105 179.913 177.584 0.374 0.000 1.186 171 A CA 0.986 53.194 52.037 0.285 0.000 0.616 171 A CB -0.592 18.523 19.000 0.193 0.000 0.823 171 A HN 0.256 nan 8.150 nan 0.000 0.442 172 L N 0.845 122.223 121.223 0.258 0.000 2.275 172 L HA -0.117 4.223 4.340 0.000 0.000 0.215 172 L C 2.684 179.584 176.870 0.049 0.000 1.119 172 L CA 1.178 56.109 54.840 0.152 0.000 0.790 172 L CB -0.407 41.718 42.059 0.111 0.000 0.919 172 L HN 0.589 nan 8.230 nan 0.000 0.443 173 S N -1.926 113.789 115.700 0.024 0.000 2.507 173 S HA -0.153 4.317 4.470 0.000 0.000 0.235 173 S C 1.691 176.062 174.600 -0.381 0.000 0.988 173 S CA 0.515 58.621 58.200 -0.157 0.000 0.944 173 S CB -0.561 62.552 63.200 -0.145 0.000 0.762 173 S HN 0.503 nan 8.310 nan 0.000 0.526 174 H N 0.803 119.758 119.070 -0.193 0.000 2.547 174 H HA 0.236 4.792 4.556 0.000 0.000 0.272 174 H C 0.292 175.410 175.328 -0.350 0.000 0.989 174 H CA 0.543 56.449 56.048 -0.236 0.000 1.214 174 H CB 0.067 29.852 29.762 0.038 0.000 1.389 174 H HN 0.428 nan 8.280 nan 0.000 0.577 175 L N 2.397 123.507 121.223 -0.188 0.000 2.536 175 L HA 0.080 4.420 4.340 0.000 0.000 0.242 175 L C 0.991 177.782 176.870 -0.132 0.000 1.280 175 L CA -0.256 54.514 54.840 -0.117 0.000 1.221 175 L CB -0.062 41.930 42.059 -0.112 0.000 1.449 175 L HN 0.215 nan 8.230 nan 0.000 0.405 176 H N 0.977 120.098 119.070 0.084 0.000 2.543 176 H HA -0.043 4.513 4.556 0.000 0.000 0.286 176 H C 1.787 177.197 175.328 0.136 0.000 1.037 176 H CA 1.091 57.220 56.048 0.136 0.000 1.250 176 H CB 0.280 30.197 29.762 0.258 0.000 1.373 176 H HN 0.651 nan 8.280 nan 0.000 0.580 177 G N 0.297 109.194 108.800 0.161 0.000 3.159 177 G HA2 0.102 4.062 3.960 0.000 0.000 0.232 177 G HA3 0.102 4.062 3.960 0.000 0.000 0.232 177 G C 0.441 175.362 174.900 0.035 0.000 1.116 177 G CA -0.342 44.819 45.100 0.101 0.000 0.767 177 G HN 0.071 nan 8.290 nan 0.000 0.547 178 L N 1.180 122.403 121.223 0.000 0.000 2.559 178 L HA 0.201 4.541 4.340 0.000 0.000 0.282 178 L C 1.145 177.993 176.870 -0.037 0.000 1.232 178 L CA 0.629 55.443 54.840 -0.043 0.000 0.885 178 L CB 0.638 42.650 42.059 -0.078 0.000 1.131 178 L HN 0.126 nan 8.230 nan 0.000 0.498 179 I N 3.281 123.821 120.570 -0.049 0.000 3.565 179 I HA 0.102 4.272 4.170 0.000 0.000 0.287 179 I C -0.286 175.792 176.117 -0.065 0.000 1.193 179 I CA 0.134 61.405 61.300 -0.049 0.000 1.402 179 I CB 0.401 38.375 38.000 -0.043 0.000 1.284 179 I HN 0.236 nan 8.210 nan 0.000 0.454 180 V N 3.195 123.067 119.914 -0.071 0.000 2.448 180 V HA 0.429 4.549 4.120 0.000 0.000 0.295 180 V C -0.971 175.075 176.094 -0.080 0.000 1.025 180 V CA -0.588 61.667 62.300 -0.074 0.000 0.859 180 V CB 2.230 34.012 31.823 -0.069 0.000 0.988 180 V HN 0.059 nan 8.190 nan 0.000 0.431 181 L N 6.500 127.676 121.223 -0.078 0.000 2.372 181 L HA 0.647 4.987 4.340 0.000 0.000 0.274 181 L C -0.340 176.516 176.870 -0.024 0.000 0.988 181 L CA -0.222 54.582 54.840 -0.061 0.000 0.833 181 L CB 1.455 43.474 42.059 -0.067 0.000 1.236 181 L HN 0.598 nan 8.230 nan 0.000 0.410 182 R N 6.504 127.008 120.500 0.007 0.000 2.310 182 R HA 0.578 4.918 4.340 0.000 0.000 0.324 182 R C -1.323 175.055 176.300 0.130 0.000 0.955 182 R CA -0.667 55.466 56.100 0.055 0.000 0.830 182 R CB 1.321 31.645 30.300 0.040 0.000 1.154 182 R HN 0.586 nan 8.270 nan 0.000 0.458 183 L N 4.700 126.058 121.223 0.224 0.000 2.313 183 L HA 0.491 4.831 4.340 0.000 0.000 0.273 183 L C -0.024 177.174 176.870 0.547 0.000 1.028 183 L CA -0.469 54.607 54.840 0.392 0.000 0.871 183 L CB 0.834 43.265 42.059 0.619 0.000 1.242 183 L HN 0.397 nan 8.230 nan 0.000 0.434 184 R N 0.891 121.613 120.500 0.370 0.000 2.664 184 R HA 0.522 4.862 4.340 0.000 0.000 0.286 184 R C -0.646 175.845 176.300 0.318 0.000 0.967 184 R CA -1.305 55.014 56.100 0.365 0.000 0.933 184 R CB 1.218 31.700 30.300 0.303 0.000 1.146 184 R HN 0.451 nan 8.270 nan 0.000 0.468 185 H N 0.396 119.597 119.070 0.219 0.000 2.680 185 H HA -0.167 4.389 4.556 0.000 0.000 0.328 185 H C -1.048 174.237 175.328 -0.071 0.000 1.139 185 H CA 0.444 56.536 56.048 0.072 0.000 1.124 185 H CB -1.393 28.360 29.762 -0.015 0.000 1.584 185 H HN 0.314 nan 8.280 nan 0.000 0.410 186 L N 0.099 121.188 121.223 -0.223 0.000 2.323 186 L HA 0.378 4.718 4.340 0.000 0.000 0.265 186 L C 1.045 177.710 176.870 -0.341 0.000 1.012 186 L CA -1.051 53.515 54.840 -0.456 0.000 0.820 186 L CB 1.352 42.826 42.059 -0.974 0.000 1.334 186 L HN 0.167 nan 8.230 nan 0.000 0.427 187 N N 0.751 119.346 118.700 -0.175 0.000 2.336 187 N HA 0.240 4.980 4.740 0.000 0.000 0.189 187 N C 0.156 175.734 175.510 0.113 0.000 1.113 187 N CA 0.127 53.243 53.050 0.110 0.000 0.858 187 N CB 0.069 38.646 38.487 0.150 0.000 0.970 187 N HN 0.415 nan 8.380 nan 0.000 0.471 188 I N 2.069 122.547 120.570 -0.155 0.000 2.710 188 I HA -0.110 4.060 4.170 0.000 0.000 0.286 188 I C 1.157 177.390 176.117 0.194 0.000 1.181 188 I CA 0.052 61.313 61.300 -0.065 0.000 1.430 188 I CB 0.483 38.302 38.000 -0.301 0.000 1.367 188 I HN 0.117 nan 8.210 nan 0.000 0.577 189 N N 4.457 123.273 118.700 0.192 0.000 2.205 189 N HA 0.308 5.048 4.740 0.000 0.000 0.201 189 N C -0.382 175.250 175.510 0.204 0.000 1.128 189 N CA -0.114 53.074 53.050 0.230 0.000 0.867 189 N CB 0.923 39.501 38.487 0.152 0.000 0.996 189 N HN 0.556 nan 8.380 nan 0.000 0.503 190 A N 0.339 123.281 122.820 0.204 0.000 2.513 190 A HA 0.601 4.921 4.320 0.000 0.000 0.296 190 A C -1.452 176.242 177.584 0.183 0.000 1.052 190 A CA -0.756 51.378 52.037 0.162 0.000 0.714 190 A CB 0.747 19.805 19.000 0.096 0.000 1.279 190 A HN 0.155 nan 8.150 nan 0.000 0.397 191 I N 3.388 124.055 120.570 0.162 0.000 2.297 191 I HA 0.337 4.507 4.170 0.000 0.000 0.291 191 I C 0.737 176.887 176.117 0.055 0.000 1.033 191 I CA -0.310 61.068 61.300 0.129 0.000 1.253 191 I CB 0.882 38.971 38.000 0.148 0.000 1.396 191 I HN 0.662 nan 8.210 nan 0.000 0.476 192 R N 3.510 124.022 120.500 0.020 0.000 2.527 192 R HA 0.366 4.706 4.340 0.000 0.000 0.243 192 R C -0.619 175.639 176.300 -0.070 0.000 1.206 192 R CA -1.101 54.990 56.100 -0.015 0.000 1.134 192 R CB 0.601 30.900 30.300 -0.001 0.000 1.347 192 R HN 0.412 nan 8.270 nan 0.000 0.580 193 D N 0.952 121.268 120.400 -0.140 0.000 2.455 193 D HA 0.018 4.658 4.640 0.000 0.000 0.241 193 D C -0.237 175.899 176.300 -0.274 0.000 1.138 193 D CA 0.715 54.480 54.000 -0.392 0.000 0.877 193 D CB 0.137 40.574 40.800 -0.605 0.000 1.187 193 D HN 0.396 nan 8.370 nan 0.000 0.451 194 Y N -0.151 120.187 120.300 0.063 0.000 3.305 194 Y HA -0.253 4.297 4.550 0.000 0.000 0.209 194 Y C 1.503 177.392 175.900 -0.020 0.000 1.354 194 Y CA 0.238 58.380 58.100 0.071 0.000 1.392 194 Y CB -2.627 35.858 38.460 0.041 0.000 1.446 194 Y HN 0.252 nan 8.280 nan 0.000 0.553 195 S N -1.269 114.401 115.700 -0.050 0.000 2.489 195 S HA 0.121 4.591 4.470 0.000 0.000 0.228 195 S C 0.236 174.430 174.600 -0.677 0.000 0.995 195 S CA 0.519 58.476 58.200 -0.405 0.000 0.934 195 S CB -0.039 62.775 63.200 -0.643 0.000 0.771 195 S HN 0.352 nan 8.310 nan 0.000 0.522 196 F N 2.148 122.162 119.950 0.108 0.000 2.443 196 F HA 0.438 4.965 4.527 0.000 0.000 0.369 196 F C 0.068 175.893 175.800 0.042 0.000 1.090 196 F CA -0.900 57.135 58.000 0.058 0.000 1.129 196 F CB 0.783 39.804 39.000 0.037 0.000 1.367 196 F HN -0.337 nan 8.300 nan 0.000 0.465 197 K N 2.341 122.807 120.400 0.109 0.000 2.185 197 K HA 0.567 4.887 4.320 0.000 0.000 0.269 197 K C 0.408 176.947 176.600 -0.102 0.000 0.987 197 K CA -0.830 55.476 56.287 0.032 0.000 0.865 197 K CB 1.491 34.001 32.500 0.015 0.000 1.090 197 K HN 0.543 nan 8.250 nan 0.000 0.450 198 R N 0.789 121.137 120.500 -0.253 0.000 3.989 198 R HA -0.187 4.153 4.340 0.000 0.000 0.377 198 R C -0.287 175.496 176.300 -0.862 0.000 1.158 198 R CA 0.527 56.197 56.100 -0.718 0.000 1.035 198 R CB -1.833 28.262 30.300 -0.341 0.000 1.557 198 R HN 0.530 nan 8.270 nan 0.000 0.551 199 L N 1.616 122.587 121.223 -0.420 0.000 2.480 199 L HA 0.144 4.484 4.340 0.000 0.000 0.243 199 L C 0.785 177.562 176.870 -0.156 0.000 1.315 199 L CA -0.250 54.450 54.840 -0.234 0.000 1.231 199 L CB -0.254 41.756 42.059 -0.081 0.000 1.444 199 L HN 0.144 nan 8.230 nan 0.000 0.409 200 Y N -0.780 119.550 120.300 0.049 0.000 2.421 200 Y HA -0.062 4.488 4.550 0.000 0.000 0.292 200 Y C 2.141 178.035 175.900 -0.010 0.000 1.136 200 Y CA 0.351 58.462 58.100 0.018 0.000 1.255 200 Y CB -0.207 38.268 38.460 0.025 0.000 0.991 200 Y HN 0.300 nan 8.280 nan 0.000 0.552 201 R N 0.136 120.722 120.500 0.142 0.000 2.362 201 R HA 0.176 4.516 4.340 0.000 0.000 0.227 201 R C -0.089 176.213 176.300 0.003 0.000 0.905 201 R CA -0.272 55.866 56.100 0.063 0.000 1.067 201 R CB -0.241 30.099 30.300 0.066 0.000 1.078 201 R HN 0.248 nan 8.270 nan 0.000 0.516 202 L N 2.101 123.313 121.223 -0.017 0.000 2.462 202 L HA -0.002 4.338 4.340 0.000 0.000 0.272 202 L C 0.924 177.758 176.870 -0.060 0.000 1.166 202 L CA 0.750 55.556 54.840 -0.057 0.000 0.880 202 L CB 0.639 42.642 42.059 -0.094 0.000 1.142 202 L HN -0.182 nan 8.230 nan 0.000 0.473 203 K N 3.327 123.690 120.400 -0.062 0.000 2.403 203 K HA 0.306 4.626 4.320 0.000 0.000 0.199 203 K C -0.501 176.067 176.600 -0.054 0.000 1.199 203 K CA 0.347 56.602 56.287 -0.053 0.000 0.924 203 K CB 0.390 32.862 32.500 -0.047 0.000 1.137 203 K HN 0.371 nan 8.250 nan 0.000 0.510 204 V N 3.221 123.096 119.914 -0.066 0.000 2.370 204 V HA 0.334 4.454 4.120 0.000 0.000 0.283 204 V C -0.853 175.189 176.094 -0.087 0.000 1.023 204 V CA -0.937 61.324 62.300 -0.064 0.000 0.857 204 V CB 1.469 33.250 31.823 -0.069 0.000 0.985 204 V HN 0.056 nan 8.190 nan 0.000 0.443 205 L N 5.023 126.191 121.223 -0.093 0.000 2.349 205 L HA 0.629 4.969 4.340 0.000 0.000 0.278 205 L C -0.383 176.437 176.870 -0.083 0.000 0.996 205 L CA -0.026 54.734 54.840 -0.134 0.000 0.825 205 L CB 1.641 43.552 42.059 -0.247 0.000 1.243 205 L HN 0.807 nan 8.230 nan 0.000 0.412 206 E N 5.637 125.804 120.200 -0.055 0.000 2.165 206 E HA 0.498 4.848 4.350 0.000 0.000 0.266 206 E C -1.518 175.061 176.600 -0.035 0.000 0.889 206 E CA -0.557 55.828 56.400 -0.025 0.000 0.756 206 E CB 1.243 30.952 29.700 0.015 0.000 1.131 206 E HN 0.717 nan 8.360 nan 0.000 0.411 207 I N 3.383 123.875 120.570 -0.130 0.000 2.406 207 I HA 0.294 4.464 4.170 0.000 0.000 0.290 207 I C -0.497 175.470 176.117 -0.249 0.000 0.999 207 I CA -0.436 60.684 61.300 -0.301 0.000 1.124 207 I CB 1.987 39.572 38.000 -0.691 0.000 1.289 207 I HN 0.362 nan 8.210 nan 0.000 0.441 208 S N 4.132 119.785 115.700 -0.078 0.000 2.572 208 S HA 0.469 4.939 4.470 0.000 0.000 0.274 208 S C -0.777 173.950 174.600 0.211 0.000 1.150 208 S CA -0.470 57.760 58.200 0.050 0.000 0.944 208 S CB 0.309 63.605 63.200 0.159 0.000 1.071 208 S HN 0.781 nan 8.310 nan 0.000 0.479 209 H N 0.946 120.025 119.070 0.015 0.000 2.765 209 H HA -0.133 4.423 4.556 0.000 0.000 0.332 209 H C -1.650 173.807 175.328 0.216 0.000 1.180 209 H CA 1.384 57.389 56.048 -0.072 0.000 1.142 209 H CB -1.224 28.127 29.762 -0.684 0.000 1.576 209 H HN 0.425 nan 8.280 nan 0.000 0.420 210 W N 1.963 123.234 121.300 -0.049 0.000 2.351 210 W HA 0.337 4.997 4.660 0.000 0.000 0.320 210 W C -1.868 174.588 176.519 -0.104 0.000 0.947 210 W CA -2.690 54.631 57.345 -0.040 0.000 1.565 210 W CB 0.298 29.771 29.460 0.022 0.000 1.409 210 W HN 0.141 nan 8.180 nan 0.000 0.399 211 P HA -0.204 nan 4.420 nan 0.000 0.223 211 P C 0.560 177.741 177.300 -0.199 0.000 1.144 211 P CA 1.578 64.543 63.100 -0.225 0.000 0.783 211 P CB 0.342 31.760 31.700 -0.471 0.000 0.771 212 Y N -1.356 119.034 120.300 0.150 0.000 2.481 212 Y HA 0.242 4.793 4.550 0.000 0.000 0.258 212 Y C 1.323 177.309 175.900 0.143 0.000 1.103 212 Y CA -1.293 56.879 58.100 0.119 0.000 1.287 212 Y CB -0.888 37.625 38.460 0.088 0.000 1.108 212 Y HN -0.180 nan 8.280 nan 0.000 0.529 213 L N 1.904 123.320 121.223 0.321 0.000 2.628 213 L HA -0.059 4.281 4.340 0.000 0.000 0.274 213 L C 0.645 177.611 176.870 0.160 0.000 1.209 213 L CA 0.804 55.814 54.840 0.284 0.000 0.930 213 L CB 0.216 42.457 42.059 0.304 0.000 1.183 213 L HN 0.182 nan 8.230 nan 0.000 0.492 214 D N 1.348 121.829 120.400 0.135 0.000 2.318 214 D HA 0.145 4.785 4.640 0.000 0.000 0.294 214 D C -0.506 175.829 176.300 0.059 0.000 1.091 214 D CA 0.463 54.517 54.000 0.091 0.000 0.883 214 D CB 0.857 41.717 40.800 0.100 0.000 1.545 214 D HN 0.562 nan 8.370 nan 0.000 0.513 215 T N 0.739 115.334 114.554 0.068 0.000 2.991 215 T HA 0.514 4.864 4.350 0.000 0.000 0.303 215 T C -0.529 174.198 174.700 0.044 0.000 1.015 215 T CA -0.487 61.642 62.100 0.048 0.000 1.007 215 T CB 1.816 70.717 68.868 0.054 0.000 1.034 215 T HN -0.105 nan 8.240 nan 0.000 0.446 216 M N 3.452 123.063 119.600 0.020 0.000 2.053 216 M HA 0.302 4.782 4.480 0.000 0.000 0.297 216 M C 0.459 176.764 176.300 0.008 0.000 0.921 216 M CA -0.859 54.451 55.300 0.016 0.000 0.918 216 M CB 1.827 34.424 32.600 -0.005 0.000 1.499 216 M HN 0.728 nan 8.290 nan 0.000 0.422 217 T N -0.030 114.526 114.554 0.004 0.000 2.856 217 T HA 0.240 4.590 4.350 0.000 0.000 0.306 217 T C -2.043 172.646 174.700 -0.019 0.000 1.062 217 T CA -1.195 60.897 62.100 -0.014 0.000 1.083 217 T CB 0.484 69.330 68.868 -0.037 0.000 0.984 217 T HN 0.311 nan 8.240 nan 0.000 0.542 218 P HA -0.093 nan 4.420 nan 0.000 0.216 218 P C 0.800 178.100 177.300 0.001 0.000 1.157 218 P CA 1.121 64.219 63.100 -0.005 0.000 0.880 218 P CB -0.060 31.638 31.700 -0.002 0.000 0.791 219 N N -1.433 117.226 118.700 -0.070 0.000 2.322 219 N HA -0.008 4.732 4.740 0.000 0.000 0.216 219 N C 1.057 176.492 175.510 -0.126 0.000 1.144 219 N CA 0.044 53.036 53.050 -0.097 0.000 0.830 219 N CB -1.225 37.049 38.487 -0.355 0.000 1.034 219 N HN 0.338 nan 8.380 nan 0.000 0.484 220 C N -1.347 117.930 119.300 -0.038 0.000 2.437 220 C HA 0.132 4.592 4.460 0.000 0.000 0.283 220 C C 1.346 176.452 174.990 0.193 0.000 1.424 220 C CA 0.004 59.037 59.018 0.024 0.000 1.782 220 C CB -1.265 26.502 27.740 0.044 0.000 1.833 220 C HN 0.337 nan 8.230 nan 0.000 0.532 221 L N -1.232 120.114 121.223 0.206 0.000 2.965 221 L HA 0.307 4.647 4.340 0.000 0.000 0.254 221 L C 0.438 177.464 176.870 0.260 0.000 1.220 221 L CA -0.708 54.285 54.840 0.255 0.000 1.023 221 L CB -0.704 41.434 42.059 0.132 0.000 1.355 221 L HN 0.250 nan 8.230 nan 0.000 0.545 222 Y N 1.612 122.015 120.300 0.172 0.000 2.903 222 Y HA 0.161 4.711 4.550 0.000 0.000 0.338 222 Y C 1.537 177.555 175.900 0.197 0.000 1.265 222 Y CA 1.508 59.732 58.100 0.206 0.000 1.532 222 Y CB 0.667 39.306 38.460 0.299 0.000 1.293 222 Y HN 0.322 nan 8.280 nan 0.000 0.609 223 G N 3.864 112.361 108.800 -0.504 0.000 2.253 223 G HA2 -0.280 3.680 3.960 0.000 0.000 0.251 223 G HA3 -0.280 3.680 3.960 0.000 0.000 0.251 223 G C -0.149 174.682 174.900 -0.115 0.000 0.998 223 G CA 0.192 45.104 45.100 -0.312 0.000 0.621 223 G HN 0.693 nan 8.290 nan 0.000 0.524 224 L N 0.799 121.993 121.223 -0.048 0.000 2.326 224 L HA 0.491 4.831 4.340 0.000 0.000 0.278 224 L C 0.394 177.249 176.870 -0.026 0.000 1.092 224 L CA -0.617 54.201 54.840 -0.037 0.000 0.810 224 L CB 1.257 43.281 42.059 -0.058 0.000 1.153 224 L HN 0.152 nan 8.230 nan 0.000 0.439 225 N N 3.904 122.590 118.700 -0.024 0.000 2.990 225 N HA 0.327 5.067 4.740 0.000 0.000 0.288 225 N C -0.738 174.770 175.510 -0.003 0.000 1.624 225 N CA -0.282 52.769 53.050 0.001 0.000 0.961 225 N CB 0.192 38.663 38.487 -0.027 0.000 1.259 225 N HN 0.457 nan 8.380 nan 0.000 0.489 226 L N 0.130 121.355 121.223 0.004 0.000 2.436 226 L HA 0.278 4.618 4.340 0.000 0.000 0.265 226 L C 1.611 178.503 176.870 0.038 0.000 1.168 226 L CA -0.121 54.717 54.840 -0.004 0.000 0.815 226 L CB 0.963 43.008 42.059 -0.023 0.000 1.109 226 L HN 0.437 nan 8.230 nan 0.000 0.462 227 T N -4.022 110.549 114.554 0.029 0.000 2.955 227 T HA 0.148 4.498 4.350 0.000 0.000 0.251 227 T C 0.658 175.407 174.700 0.082 0.000 1.002 227 T CA -0.165 61.970 62.100 0.059 0.000 0.970 227 T CB 0.468 69.359 68.868 0.038 0.000 1.091 227 T HN 0.354 nan 8.240 nan 0.000 0.495 228 S N 0.862 116.602 115.700 0.066 0.000 2.526 228 S HA 0.810 5.280 4.470 0.000 0.000 0.293 228 S C -1.879 172.783 174.600 0.103 0.000 1.092 228 S CA -0.710 57.575 58.200 0.142 0.000 0.980 228 S CB 1.863 65.093 63.200 0.050 0.000 1.048 228 S HN 0.458 nan 8.310 nan 0.000 0.483 229 L N 2.883 124.205 121.223 0.165 0.000 2.580 229 L HA 0.630 4.970 4.340 0.000 0.000 0.266 229 L C -1.374 175.533 176.870 0.062 0.000 0.955 229 L CA 0.111 54.982 54.840 0.050 0.000 0.886 229 L CB 1.732 43.782 42.059 -0.015 0.000 1.263 229 L HN 0.542 nan 8.230 nan 0.000 0.406 230 S N 6.265 121.990 115.700 0.042 0.000 2.552 230 S HA 0.735 5.205 4.470 0.000 0.000 0.314 230 S C -0.494 174.065 174.600 -0.067 0.000 1.099 230 S CA -0.301 57.917 58.200 0.030 0.000 1.070 230 S CB 1.137 64.406 63.200 0.115 0.000 0.998 230 S HN 0.508 nan 8.310 nan 0.000 0.474 231 I N 3.600 124.107 120.570 -0.105 0.000 2.464 231 I HA 0.326 4.497 4.170 0.000 0.000 0.277 231 I C 0.148 176.186 176.117 -0.131 0.000 1.040 231 I CA -0.313 60.885 61.300 -0.171 0.000 1.153 231 I CB 1.252 39.132 38.000 -0.201 0.000 1.274 231 I HN 0.590 nan 8.210 nan 0.000 0.469 232 T N -0.603 113.890 114.554 -0.101 0.000 2.930 232 T HA 0.439 4.789 4.350 0.000 0.000 0.290 232 T C 0.132 174.791 174.700 -0.068 0.000 1.052 232 T CA -0.760 61.310 62.100 -0.050 0.000 1.017 232 T CB 1.071 69.981 68.868 0.071 0.000 1.137 232 T HN 0.637 nan 8.240 nan 0.000 0.511 233 H N -1.787 117.192 119.070 -0.152 0.000 2.557 233 H HA -0.140 4.417 4.556 0.000 0.000 0.319 233 H C 0.281 175.502 175.328 -0.178 0.000 1.102 233 H CA 0.610 56.501 56.048 -0.261 0.000 1.126 233 H CB -2.178 27.128 29.762 -0.760 0.000 1.498 233 H HN 0.742 nan 8.280 nan 0.000 0.411 234 C N -0.742 118.533 119.300 -0.042 0.000 2.924 234 C HA 0.420 4.880 4.460 0.000 0.000 0.399 234 C C 1.517 176.508 174.990 0.002 0.000 1.795 234 C CA -0.643 58.369 59.018 -0.010 0.000 1.685 234 C CB 1.520 29.227 27.740 -0.055 0.000 2.218 234 C HN 0.721 nan 8.230 nan 0.000 0.474 235 N N 0.450 119.166 118.700 0.026 0.000 2.541 235 N HA 0.375 5.116 4.740 0.000 0.000 0.297 235 N C -1.114 174.408 175.510 0.020 0.000 1.503 235 N CA -0.009 53.061 53.050 0.034 0.000 0.919 235 N CB -0.275 38.256 38.487 0.073 0.000 1.305 235 N HN 0.476 nan 8.380 nan 0.000 0.501 236 L N 0.497 121.712 121.223 -0.013 0.000 2.331 236 L HA 0.246 4.586 4.340 0.000 0.000 0.278 236 L C 1.757 178.606 176.870 -0.035 0.000 1.106 236 L CA -0.140 54.682 54.840 -0.031 0.000 0.824 236 L CB 1.276 43.295 42.059 -0.068 0.000 1.142 236 L HN 0.243 nan 8.230 nan 0.000 0.443 237 T N -0.831 113.707 114.554 -0.026 0.000 3.037 237 T HA 0.344 4.694 4.350 0.000 0.000 0.251 237 T C 0.489 175.168 174.700 -0.035 0.000 1.079 237 T CA 0.338 62.426 62.100 -0.021 0.000 1.067 237 T CB 0.399 69.266 68.868 -0.002 0.000 0.948 237 T HN 0.607 nan 8.240 nan 0.000 0.496 238 A N 0.639 123.422 122.820 -0.061 0.000 2.485 238 A HA 0.750 5.070 4.320 0.000 0.000 0.292 238 A C -0.533 176.920 177.584 -0.218 0.000 1.147 238 A CA -0.758 51.221 52.037 -0.097 0.000 0.750 238 A CB 1.428 20.402 19.000 -0.043 0.000 1.331 238 A HN 0.206 nan 8.150 nan 0.000 0.419 239 V N 2.102 121.763 119.914 -0.421 0.000 2.740 239 V HA 0.220 4.340 4.120 0.000 0.000 0.303 239 V C -1.724 173.985 176.094 -0.641 0.000 1.054 239 V CA -0.456 61.454 62.300 -0.650 0.000 1.106 239 V CB 0.787 31.959 31.823 -1.085 0.000 0.957 239 V HN 0.743 nan 8.190 nan 0.000 0.486 240 P HA 0.150 nan 4.420 nan 0.000 0.225 240 P C 0.131 177.332 177.300 -0.166 0.000 1.813 240 P CA -0.177 62.794 63.100 -0.214 0.000 1.013 240 P CB -0.110 31.515 31.700 -0.125 0.000 1.961 241 Y N 0.607 120.901 120.300 -0.011 0.000 2.081 241 Y HA -0.241 4.310 4.550 0.000 0.000 0.280 241 Y C 2.419 178.305 175.900 -0.023 0.000 1.163 241 Y CA 1.496 59.591 58.100 -0.009 0.000 1.135 241 Y CB -1.292 37.168 38.460 -0.000 0.000 0.970 241 Y HN 0.053 nan 8.280 nan 0.000 0.498 242 L N -0.878 120.427 121.223 0.136 0.000 2.056 242 L HA -0.188 4.152 4.340 0.000 0.000 0.207 242 L C 2.680 179.552 176.870 0.003 0.000 1.078 242 L CA 1.050 55.919 54.840 0.048 0.000 0.749 242 L CB -0.857 41.228 42.059 0.044 0.000 0.901 242 L HN 0.244 nan 8.230 nan 0.000 0.433 243 A N -0.124 122.701 122.820 0.009 0.000 1.978 243 A HA -0.165 4.156 4.320 0.000 0.000 0.220 243 A C 2.045 179.637 177.584 0.013 0.000 1.170 243 A CA 1.938 53.983 52.037 0.012 0.000 0.636 243 A CB -0.767 18.234 19.000 0.002 0.000 0.810 243 A HN 0.377 nan 8.150 nan 0.000 0.448 244 V N -1.642 118.271 119.914 -0.003 0.000 3.647 244 V HA 0.087 4.207 4.120 0.000 0.000 0.279 244 V C 1.844 177.930 176.094 -0.013 0.000 1.314 244 V CA 0.727 63.027 62.300 -0.001 0.000 1.125 244 V CB -0.814 31.001 31.823 -0.013 0.000 0.907 244 V HN 0.685 nan 8.190 nan 0.000 0.434 245 R N 0.259 120.718 120.500 -0.069 0.000 2.193 245 R HA -0.146 4.194 4.340 0.000 0.000 0.229 245 R C 1.441 177.640 176.300 -0.169 0.000 1.110 245 R CA 2.165 58.175 56.100 -0.149 0.000 0.988 245 R CB -0.810 29.351 30.300 -0.232 0.000 0.871 245 R HN 0.675 nan 8.270 nan 0.000 0.458 246 H N 0.217 119.303 119.070 0.027 0.000 2.551 246 H HA 0.263 4.819 4.556 0.000 0.000 0.271 246 H C 0.303 175.642 175.328 0.019 0.000 0.984 246 H CA -0.351 55.711 56.048 0.022 0.000 1.164 246 H CB 0.454 30.238 29.762 0.037 0.000 1.437 246 H HN 0.025 nan 8.280 nan 0.000 0.550 247 L N 1.701 122.988 121.223 0.107 0.000 2.533 247 L HA 0.032 4.372 4.340 0.000 0.000 0.239 247 L C 0.809 177.715 176.870 0.059 0.000 1.376 247 L CA -0.215 54.674 54.840 0.082 0.000 1.240 247 L CB 0.056 42.143 42.059 0.047 0.000 1.487 247 L HN 0.223 nan 8.230 nan 0.000 0.419 248 V N -0.101 119.850 119.914 0.060 0.000 3.305 248 V HA -0.208 3.912 4.120 0.000 0.000 0.269 248 V C 1.111 177.070 176.094 -0.224 0.000 1.157 248 V CA 1.563 63.816 62.300 -0.078 0.000 1.157 248 V CB -0.607 31.158 31.823 -0.096 0.000 0.772 248 V HN 0.622 nan 8.190 nan 0.000 0.498 249 Y N -1.773 118.529 120.300 0.002 0.000 2.481 249 Y HA 0.376 4.926 4.550 0.000 0.000 0.247 249 Y C 0.624 176.524 175.900 0.000 0.000 1.151 249 Y CA -1.018 57.081 58.100 -0.003 0.000 1.238 249 Y CB 0.556 39.010 38.460 -0.009 0.000 1.179 249 Y HN 0.125 nan 8.280 nan 0.000 0.524 250 L N 1.536 122.823 121.223 0.106 0.000 2.559 250 L HA -0.004 4.336 4.340 0.000 0.000 0.274 250 L C 0.956 177.864 176.870 0.063 0.000 1.205 250 L CA 0.965 55.849 54.840 0.074 0.000 0.907 250 L CB 0.504 42.586 42.059 0.038 0.000 1.153 250 L HN 0.231 nan 8.230 nan 0.000 0.490 251 R N 3.803 124.356 120.500 0.089 0.000 2.342 251 R HA 0.187 4.527 4.340 0.000 0.000 0.204 251 R C -0.589 175.795 176.300 0.141 0.000 0.882 251 R CA -0.041 56.114 56.100 0.092 0.000 1.041 251 R CB 0.594 30.947 30.300 0.088 0.000 1.188 251 R HN 0.518 nan 8.270 nan 0.000 0.598 252 F N 1.356 121.293 119.950 -0.021 0.000 2.539 252 F HA 0.480 5.007 4.527 0.000 0.000 0.318 252 F C -1.622 174.156 175.800 -0.037 0.000 1.135 252 F CA -1.356 56.626 58.000 -0.029 0.000 0.915 252 F CB 1.618 40.603 39.000 -0.025 0.000 1.176 252 F HN -0.267 nan 8.300 nan 0.000 0.440 253 L N 6.847 127.697 121.223 -0.621 0.000 2.406 253 L HA 0.536 4.876 4.340 0.000 0.000 0.272 253 L C -1.817 174.644 176.870 -0.682 0.000 0.980 253 L CA -0.301 54.256 54.840 -0.473 0.000 0.831 253 L CB 1.438 43.343 42.059 -0.257 0.000 1.253 253 L HN 0.670 nan 8.230 nan 0.000 0.406 254 N N 5.171 123.588 118.700 -0.473 0.000 2.479 254 N HA 0.425 5.165 4.740 0.000 0.000 0.261 254 N C -0.723 174.688 175.510 -0.164 0.000 0.979 254 N CA -0.289 52.574 53.050 -0.311 0.000 0.930 254 N CB 1.252 39.684 38.487 -0.092 0.000 1.172 254 N HN 0.760 nan 8.380 nan 0.000 0.499 255 L N 1.358 122.479 121.223 -0.171 0.000 3.110 255 L HA 0.319 4.659 4.340 0.000 0.000 0.266 255 L C 0.538 177.311 176.870 -0.160 0.000 1.257 255 L CA -0.232 54.520 54.840 -0.147 0.000 1.038 255 L CB 0.216 42.186 42.059 -0.149 0.000 1.395 255 L HN 0.301 nan 8.230 nan 0.000 0.566 256 S N -0.397 115.203 115.700 -0.167 0.000 2.566 256 S HA 0.078 4.548 4.470 0.000 0.000 0.280 256 S C 0.014 174.458 174.600 -0.260 0.000 1.343 256 S CA 0.037 58.054 58.200 -0.304 0.000 1.036 256 S CB -0.026 63.003 63.200 -0.284 0.000 0.866 256 S HN 0.391 nan 8.310 nan 0.000 0.526 257 Y N -0.222 119.911 120.300 -0.279 0.000 3.078 257 Y HA -0.231 4.319 4.550 0.000 0.000 0.202 257 Y C 0.265 176.008 175.900 -0.261 0.000 1.322 257 Y CA 0.028 57.918 58.100 -0.351 0.000 1.118 257 Y CB -2.114 35.896 38.460 -0.750 0.000 1.343 257 Y HN 0.499 nan 8.280 nan 0.000 0.499 258 N N 1.279 119.913 118.700 -0.109 0.000 2.269 258 N HA 0.293 5.033 4.740 0.000 0.000 0.304 258 N C -2.574 172.898 175.510 -0.063 0.000 1.072 258 N CA -1.811 51.193 53.050 -0.076 0.000 0.802 258 N CB 2.209 40.641 38.487 -0.091 0.000 1.348 258 N HN -0.153 nan 8.380 nan 0.000 0.484 259 P HA 0.172 nan 4.420 nan 0.000 0.238 259 P C -0.229 177.052 177.300 -0.031 0.000 1.714 259 P CA 0.224 63.310 63.100 -0.024 0.000 0.908 259 P CB -0.456 31.242 31.700 -0.003 0.000 1.893 260 I N 0.399 120.939 120.570 -0.049 0.000 2.342 260 I HA 0.058 4.228 4.170 0.000 0.000 0.291 260 I C 1.452 177.548 176.117 -0.035 0.000 1.010 260 I CA 0.049 61.320 61.300 -0.048 0.000 1.308 260 I CB 1.112 39.068 38.000 -0.073 0.000 1.400 260 I HN -0.017 nan 8.210 nan 0.000 0.488 261 S N 2.576 118.265 115.700 -0.019 0.000 2.441 261 S HA 0.031 4.501 4.470 0.000 0.000 0.224 261 S C 0.704 175.300 174.600 -0.007 0.000 1.043 261 S CA 0.428 58.621 58.200 -0.011 0.000 0.948 261 S CB 0.171 63.369 63.200 -0.004 0.000 0.810 261 S HN 0.843 nan 8.310 nan 0.000 0.504 262 T N -0.328 114.229 114.554 0.005 0.000 2.896 262 T HA 0.724 5.074 4.350 0.000 0.000 0.297 262 T C -1.103 173.624 174.700 0.046 0.000 1.108 262 T CA -0.890 61.218 62.100 0.014 0.000 1.004 262 T CB 1.320 70.196 68.868 0.013 0.000 1.159 262 T HN 0.077 nan 8.240 nan 0.000 0.499 263 I N 2.175 122.761 120.570 0.027 0.000 2.382 263 I HA 0.343 4.513 4.170 0.000 0.000 0.285 263 I C 0.432 176.540 176.117 -0.015 0.000 1.007 263 I CA -0.852 60.493 61.300 0.074 0.000 1.142 263 I CB 1.527 39.530 38.000 0.006 0.000 1.289 263 I HN 0.703 nan 8.210 nan 0.000 0.453 264 E N 3.877 124.089 120.200 0.020 0.000 2.392 264 E HA 0.344 4.694 4.350 0.000 0.000 0.256 264 E C 0.450 176.918 176.600 -0.220 0.000 1.145 264 E CA -0.532 55.780 56.400 -0.147 0.000 0.929 264 E CB 0.825 30.379 29.700 -0.244 0.000 0.998 264 E HN 0.714 nan 8.360 nan 0.000 0.442 265 G N -0.332 108.355 108.800 -0.188 0.000 2.444 265 G HA2 0.247 4.207 3.960 0.000 0.000 0.268 265 G HA3 0.247 4.207 3.960 0.000 0.000 0.268 265 G C -0.044 174.765 174.900 -0.152 0.000 1.203 265 G CA -0.411 44.599 45.100 -0.149 0.000 0.835 265 G HN 0.473 nan 8.290 nan 0.000 0.543 266 S N 0.388 116.028 115.700 -0.101 0.000 3.635 266 S HA -0.152 4.319 4.470 0.000 0.000 0.328 266 S C 1.206 175.729 174.600 -0.129 0.000 1.135 266 S CA 1.093 59.224 58.200 -0.115 0.000 0.942 266 S CB -0.938 62.187 63.200 -0.125 0.000 0.930 266 S HN 0.604 nan 8.310 nan 0.000 0.512 267 M N -0.873 118.637 119.600 -0.150 0.000 2.313 267 M HA 0.372 4.852 4.480 0.000 0.000 0.273 267 M C 1.034 177.371 176.300 0.061 0.000 1.049 267 M CA 0.644 55.820 55.300 -0.207 0.000 1.004 267 M CB -0.328 31.729 32.600 -0.906 0.000 1.461 267 M HN 0.391 nan 8.290 nan 0.000 0.514 268 L N -0.118 121.198 121.223 0.156 0.000 3.016 268 L HA 0.111 4.451 4.340 0.000 0.000 0.267 268 L C 1.925 178.874 176.870 0.132 0.000 1.182 268 L CA -0.043 54.908 54.840 0.185 0.000 0.997 268 L CB -0.229 41.976 42.059 0.244 0.000 1.354 268 L HN 0.301 nan 8.230 nan 0.000 0.569 269 H N -0.704 118.371 119.070 0.007 0.000 2.561 269 H HA -0.021 4.535 4.556 0.000 0.000 0.278 269 H C 1.139 176.451 175.328 -0.027 0.000 1.014 269 H CA 0.618 56.656 56.048 -0.017 0.000 1.211 269 H CB 0.094 29.840 29.762 -0.027 0.000 1.365 269 H HN 0.319 nan 8.280 nan 0.000 0.594 270 E N 1.046 120.996 120.200 -0.418 0.000 2.371 270 E HA 0.081 4.431 4.350 0.000 0.000 0.194 270 E C 0.908 177.408 176.600 -0.167 0.000 1.012 270 E CA 0.058 56.246 56.400 -0.353 0.000 0.860 270 E CB 0.258 29.770 29.700 -0.314 0.000 0.811 270 E HN 0.530 nan 8.360 nan 0.000 0.502 271 L N 2.140 123.304 121.223 -0.098 0.000 2.583 271 L HA 0.167 4.507 4.340 0.000 0.000 0.239 271 L C 1.528 178.363 176.870 -0.058 0.000 1.347 271 L CA -0.256 54.547 54.840 -0.062 0.000 1.246 271 L CB -0.248 41.797 42.059 -0.023 0.000 1.496 271 L HN -0.057 nan 8.230 nan 0.000 0.413 272 L N 0.034 121.206 121.223 -0.086 0.000 2.189 272 L HA -0.201 4.139 4.340 0.000 0.000 0.214 272 L C 2.238 179.122 176.870 0.024 0.000 1.097 272 L CA 1.595 56.401 54.840 -0.058 0.000 0.764 272 L CB -0.351 41.665 42.059 -0.073 0.000 0.900 272 L HN 0.571 nan 8.230 nan 0.000 0.436 273 R N -1.022 119.474 120.500 -0.006 0.000 2.397 273 R HA 0.157 4.497 4.340 0.000 0.000 0.241 273 R C 0.070 176.394 176.300 0.041 0.000 0.914 273 R CA -0.578 55.538 56.100 0.027 0.000 1.071 273 R CB 0.300 30.571 30.300 -0.048 0.000 1.116 273 R HN 0.044 nan 8.270 nan 0.000 0.524 274 L N 1.997 123.232 121.223 0.020 0.000 2.578 274 L HA -0.103 4.237 4.340 0.000 0.000 0.279 274 L C 0.795 177.674 176.870 0.016 0.000 1.227 274 L CA 1.294 56.134 54.840 0.000 0.000 0.900 274 L CB 0.582 42.615 42.059 -0.043 0.000 1.144 274 L HN 0.162 nan 8.230 nan 0.000 0.496 275 Q N 2.345 122.155 119.800 0.017 0.000 2.245 275 Q HA 0.224 4.564 4.340 0.000 0.000 0.250 275 Q C -0.368 175.637 176.000 0.008 0.000 0.830 275 Q CA 0.057 55.882 55.803 0.037 0.000 0.950 275 Q CB 1.202 29.974 28.738 0.058 0.000 1.124 275 Q HN 0.722 nan 8.270 nan 0.000 0.502 276 E N 0.784 120.964 120.200 -0.034 0.000 2.307 276 E HA 0.395 4.745 4.350 0.000 0.000 0.280 276 E C -1.670 174.783 176.600 -0.246 0.000 0.900 276 E CA -0.285 56.072 56.400 -0.071 0.000 0.790 276 E CB 1.415 31.161 29.700 0.077 0.000 1.261 276 E HN 0.040 nan 8.360 nan 0.000 0.405 277 I N 4.113 124.528 120.570 -0.258 0.000 2.439 277 I HA 0.250 4.420 4.170 0.000 0.000 0.285 277 I C -0.554 175.413 176.117 -0.250 0.000 1.021 277 I CA -0.765 60.342 61.300 -0.321 0.000 1.091 277 I CB 1.700 39.495 38.000 -0.341 0.000 1.242 277 I HN 0.381 nan 8.210 nan 0.000 0.439 278 Q N 7.295 126.911 119.800 -0.307 0.000 2.290 278 Q HA 0.536 4.876 4.340 0.000 0.000 0.259 278 Q C -0.748 175.140 176.000 -0.187 0.000 0.941 278 Q CA -0.446 55.238 55.803 -0.198 0.000 0.912 278 Q CB 3.059 31.696 28.738 -0.167 0.000 1.244 278 Q HN 0.618 nan 8.270 nan 0.000 0.441 279 L N 3.344 124.476 121.223 -0.152 0.000 2.470 279 L HA 0.298 4.638 4.340 0.000 0.000 0.256 279 L C -0.793 175.951 176.870 -0.210 0.000 1.357 279 L CA -0.622 54.116 54.840 -0.170 0.000 0.902 279 L CB 1.227 43.221 42.059 -0.108 0.000 1.121 279 L HN 0.448 nan 8.230 nan 0.000 0.507 280 V N -0.018 119.700 119.914 -0.327 0.000 2.850 280 V HA 0.870 4.990 4.120 0.000 0.000 0.315 280 V C 1.061 176.741 176.094 -0.690 0.000 1.064 280 V CA 0.494 62.560 62.300 -0.389 0.000 0.979 280 V CB 1.563 33.209 31.823 -0.295 0.000 1.039 280 V HN 0.761 nan 8.190 nan 0.000 0.452 281 G N 1.886 110.401 108.800 -0.475 0.000 2.258 281 G HA2 -0.119 3.841 3.960 0.000 0.000 0.274 281 G HA3 -0.119 3.841 3.960 0.000 0.000 0.274 281 G C 0.600 175.324 174.900 -0.293 0.000 1.021 281 G CA 0.841 45.703 45.100 -0.397 0.000 0.798 281 G HN 1.789 nan 8.290 nan 0.000 0.507 282 G N -1.627 107.023 108.800 -0.251 0.000 2.695 282 G HA2 0.552 4.512 3.960 0.000 0.000 0.213 282 G HA3 0.552 4.512 3.960 0.000 0.000 0.213 282 G C 0.461 175.309 174.900 -0.085 0.000 1.406 282 G CA 0.100 45.110 45.100 -0.149 0.000 1.049 282 G HN 0.418 nan 8.290 nan 0.000 0.573 283 Q N -0.504 119.259 119.800 -0.061 0.000 2.141 283 Q HA 0.298 4.638 4.340 0.000 0.000 0.248 283 Q C -0.114 175.867 176.000 -0.032 0.000 0.834 283 Q CA -0.289 55.492 55.803 -0.037 0.000 1.096 283 Q CB 0.768 29.492 28.738 -0.023 0.000 1.189 283 Q HN 0.255 nan 8.270 nan 0.000 0.471 284 L N 1.128 122.327 121.223 -0.040 0.000 2.700 284 L HA -0.075 4.265 4.340 0.000 0.000 0.272 284 L C 1.085 177.944 176.870 -0.019 0.000 1.176 284 L CA 0.022 54.846 54.840 -0.027 0.000 0.961 284 L CB 0.373 42.417 42.059 -0.026 0.000 1.249 284 L HN 0.333 nan 8.230 nan 0.000 0.487 285 A N 4.165 126.977 122.820 -0.013 0.000 2.115 285 A HA 0.312 4.632 4.320 0.000 0.000 0.211 285 A C 0.423 178.003 177.584 -0.007 0.000 1.169 285 A CA 0.242 52.274 52.037 -0.009 0.000 0.787 285 A CB 0.718 19.714 19.000 -0.006 0.000 0.858 285 A HN 0.457 nan 8.150 nan 0.000 0.474 286 V N -0.078 119.830 119.914 -0.011 0.000 2.950 286 V HA 0.424 4.545 4.120 0.000 0.000 0.295 286 V C -1.946 174.129 176.094 -0.033 0.000 1.297 286 V CA -0.577 61.714 62.300 -0.016 0.000 0.962 286 V CB 2.211 34.024 31.823 -0.018 0.000 1.081 286 V HN 0.001 nan 8.190 nan 0.000 0.432 287 V N 6.386 126.271 119.914 -0.048 0.000 2.328 287 V HA 0.461 4.581 4.120 0.000 0.000 0.278 287 V C 0.355 176.360 176.094 -0.149 0.000 1.021 287 V CA -0.459 61.771 62.300 -0.117 0.000 0.838 287 V CB 1.242 32.986 31.823 -0.132 0.000 0.999 287 V HN 0.938 nan 8.190 nan 0.000 0.447 288 E N 6.009 126.110 120.200 -0.164 0.000 2.390 288 E HA 0.230 4.580 4.350 0.000 0.000 0.261 288 E C -2.323 174.177 176.600 -0.166 0.000 1.076 288 E CA -1.655 54.663 56.400 -0.137 0.000 0.905 288 E CB 0.649 30.279 29.700 -0.118 0.000 0.984 288 E HN 0.439 nan 8.360 nan 0.000 0.427 289 P HA -0.157 nan 4.420 nan 0.000 0.264 289 P C -0.693 176.613 177.300 0.009 0.000 1.179 289 P CA 0.696 63.756 63.100 -0.067 0.000 0.763 289 P CB 0.140 31.786 31.700 -0.089 0.000 0.806 290 Y N -0.094 120.079 120.300 -0.211 0.000 4.907 290 Y HA -0.320 4.230 4.550 0.000 0.000 0.246 290 Y C 1.957 177.716 175.900 -0.236 0.000 0.968 290 Y CA 0.647 58.639 58.100 -0.181 0.000 1.961 290 Y CB -2.627 35.749 38.460 -0.140 0.000 1.487 290 Y HN 0.469 nan 8.280 nan 0.000 0.575 291 A N -0.235 122.407 122.820 -0.297 0.000 1.958 291 A HA -0.178 4.142 4.320 0.000 0.000 0.221 291 A C 1.414 178.715 177.584 -0.471 0.000 1.178 291 A CA 2.285 53.994 52.037 -0.547 0.000 0.642 291 A CB -0.721 17.676 19.000 -1.005 0.000 0.816 291 A HN 0.367 nan 8.150 nan 0.000 0.453 292 F N -1.249 118.636 119.950 -0.109 0.000 2.735 292 F HA 0.397 4.924 4.527 0.000 0.000 0.304 292 F C 0.625 176.391 175.800 -0.058 0.000 1.119 292 F CA -1.251 56.703 58.000 -0.077 0.000 1.280 292 F CB -0.376 38.566 39.000 -0.097 0.000 0.994 292 F HN -0.009 nan 8.300 nan 0.000 0.520 293 R N 0.846 121.340 120.500 -0.011 0.000 2.537 293 R HA 0.377 4.717 4.340 0.000 0.000 0.281 293 R C 1.374 177.700 176.300 0.043 0.000 0.988 293 R CA 1.308 57.367 56.100 -0.068 0.000 1.077 293 R CB -0.135 29.941 30.300 -0.373 0.000 0.932 293 R HN 0.555 nan 8.270 nan 0.000 0.409 294 G N 2.814 111.604 108.800 -0.017 0.000 2.258 294 G HA2 -0.270 3.690 3.960 0.000 0.000 0.233 294 G HA3 -0.270 3.690 3.960 0.000 0.000 0.233 294 G C -0.284 174.441 174.900 -0.291 0.000 1.006 294 G CA 0.086 45.074 45.100 -0.186 0.000 0.620 294 G HN 0.477 nan 8.290 nan 0.000 0.511 295 L N 2.598 123.727 121.223 -0.158 0.000 2.480 295 L HA 0.374 4.714 4.340 0.000 0.000 0.243 295 L C 1.550 178.318 176.870 -0.170 0.000 1.315 295 L CA 0.220 55.001 54.840 -0.099 0.000 1.231 295 L CB 0.082 42.153 42.059 0.020 0.000 1.444 295 L HN 0.409 nan 8.230 nan 0.000 0.409 296 N N 0.339 118.790 118.700 -0.414 0.000 2.443 296 N HA -0.213 4.527 4.740 0.000 0.000 0.184 296 N C 0.432 175.617 175.510 -0.542 0.000 1.037 296 N CA 1.197 53.915 53.050 -0.553 0.000 0.896 296 N CB 0.235 38.218 38.487 -0.840 0.000 0.959 296 N HN 0.468 nan 8.380 nan 0.000 0.442 297 Y N -0.017 120.263 120.300 -0.032 0.000 2.612 297 Y HA 0.278 4.828 4.550 0.000 0.000 0.250 297 Y C -0.182 175.712 175.900 -0.011 0.000 1.175 297 Y CA -0.799 57.291 58.100 -0.017 0.000 1.205 297 Y CB 0.108 38.551 38.460 -0.028 0.000 1.201 297 Y HN -0.057 nan 8.280 nan 0.000 0.532 298 L N 1.729 123.004 121.223 0.085 0.000 2.615 298 L HA 0.053 4.393 4.340 0.000 0.000 0.271 298 L C 0.944 177.849 176.870 0.059 0.000 1.183 298 L CA 0.865 55.731 54.840 0.045 0.000 0.933 298 L CB 0.432 42.501 42.059 0.017 0.000 1.199 298 L HN 0.234 nan 8.230 nan 0.000 0.487 299 R N 2.882 123.409 120.500 0.044 0.000 2.221 299 R HA 0.302 4.642 4.340 0.000 0.000 0.195 299 R C -0.613 175.700 176.300 0.022 0.000 0.956 299 R CA 0.134 56.254 56.100 0.034 0.000 1.064 299 R CB 0.636 30.961 30.300 0.042 0.000 1.049 299 R HN 0.471 nan 8.270 nan 0.000 0.534 300 V N 2.106 122.032 119.914 0.020 0.000 2.525 300 V HA 0.324 4.444 4.120 0.000 0.000 0.299 300 V C -1.369 174.731 176.094 0.009 0.000 1.034 300 V CA -0.896 61.419 62.300 0.023 0.000 0.863 300 V CB 1.993 33.834 31.823 0.031 0.000 0.999 300 V HN -0.005 nan 8.190 nan 0.000 0.423 301 L N 4.642 125.903 121.223 0.064 0.000 2.343 301 L HA 0.688 5.028 4.340 0.000 0.000 0.278 301 L C -0.637 176.277 176.870 0.073 0.000 0.996 301 L CA -0.036 54.845 54.840 0.068 0.000 0.831 301 L CB 1.664 43.859 42.059 0.228 0.000 1.232 301 L HN 0.638 nan 8.230 nan 0.000 0.413 302 N N 4.005 122.715 118.700 0.015 0.000 2.558 302 N HA 0.354 5.094 4.740 0.000 0.000 0.242 302 N C -0.352 175.147 175.510 -0.018 0.000 0.979 302 N CA -0.385 52.670 53.050 0.009 0.000 0.931 302 N CB 1.404 39.889 38.487 -0.003 0.000 1.122 302 N HN 0.438 nan 8.380 nan 0.000 0.508 303 V N 1.054 120.967 119.914 -0.001 0.000 2.940 303 V HA 0.374 4.494 4.120 0.000 0.000 0.366 303 V C 0.740 176.803 176.094 -0.052 0.000 1.353 303 V CA -0.818 61.468 62.300 -0.025 0.000 1.232 303 V CB -0.309 31.526 31.823 0.020 0.000 1.278 303 V HN 0.483 nan 8.190 nan 0.000 0.546 304 S N 1.789 117.452 115.700 -0.062 0.000 2.549 304 S HA 0.459 4.929 4.470 0.000 0.000 0.286 304 S C 1.467 176.014 174.600 -0.088 0.000 1.314 304 S CA 1.205 59.364 58.200 -0.067 0.000 1.062 304 S CB 0.237 63.409 63.200 -0.048 0.000 0.865 304 S HN 2.278 nan 8.310 nan 0.000 0.498 305 G N 4.178 112.937 108.800 -0.068 0.000 2.160 305 G HA2 -0.208 3.752 3.960 0.000 0.000 0.244 305 G HA3 -0.208 3.752 3.960 0.000 0.000 0.244 305 G C 0.221 175.079 174.900 -0.070 0.000 1.022 305 G CA 0.238 45.302 45.100 -0.059 0.000 0.741 305 G HN 0.687 nan 8.290 nan 0.000 0.508 306 N N -0.278 118.382 118.700 -0.066 0.000 2.849 306 N HA 0.461 5.201 4.740 0.000 0.000 0.307 306 N C 1.099 176.587 175.510 -0.038 0.000 1.370 306 N CA 0.367 53.382 53.050 -0.057 0.000 0.790 306 N CB 0.124 38.577 38.487 -0.057 0.000 1.117 306 N HN 0.596 nan 8.380 nan 0.000 0.495 307 Q N 0.376 120.159 119.800 -0.030 0.000 2.275 307 Q HA 0.391 4.731 4.340 0.000 0.000 0.314 307 Q C -1.103 174.887 176.000 -0.015 0.000 0.851 307 Q CA -0.139 55.652 55.803 -0.021 0.000 1.083 307 Q CB -0.534 28.195 28.738 -0.015 0.000 1.341 307 Q HN 0.285 nan 8.270 nan 0.000 0.402 308 L N 1.489 122.702 121.223 -0.016 0.000 2.380 308 L HA 0.264 4.604 4.340 0.000 0.000 0.273 308 L C 1.348 178.216 176.870 -0.003 0.000 1.138 308 L CA 0.231 55.069 54.840 -0.005 0.000 0.832 308 L CB 0.993 43.054 42.059 0.003 0.000 1.124 308 L HN 0.449 nan 8.230 nan 0.000 0.454 309 T N -2.739 111.820 114.554 0.008 0.000 3.037 309 T HA 0.081 4.431 4.350 0.000 0.000 0.251 309 T C 0.681 175.402 174.700 0.034 0.000 1.079 309 T CA 0.262 62.370 62.100 0.013 0.000 1.067 309 T CB 0.390 69.265 68.868 0.012 0.000 0.948 309 T HN 0.610 nan 8.240 nan 0.000 0.496 310 T N 0.122 114.706 114.554 0.050 0.000 2.762 310 T HA 0.633 4.983 4.350 0.000 0.000 0.301 310 T C -2.557 172.216 174.700 0.123 0.000 1.299 310 T CA -0.705 61.451 62.100 0.092 0.000 1.005 310 T CB 1.745 70.671 68.868 0.097 0.000 1.377 310 T HN 0.195 nan 8.240 nan 0.000 0.504 311 L N 2.737 124.087 121.223 0.211 0.000 2.680 311 L HA 0.464 4.804 4.340 0.000 0.000 0.260 311 L C -0.700 176.471 176.870 0.503 0.000 0.975 311 L CA -0.367 54.654 54.840 0.300 0.000 0.920 311 L CB 1.695 43.963 42.059 0.348 0.000 1.234 311 L HN 0.611 nan 8.230 nan 0.000 0.429 312 E N 2.838 123.219 120.200 0.303 0.000 2.392 312 E HA -0.020 4.330 4.350 0.000 0.000 0.264 312 E C 0.502 177.150 176.600 0.079 0.000 1.024 312 E CA 0.040 56.576 56.400 0.227 0.000 0.903 312 E CB 1.254 30.992 29.700 0.063 0.000 0.963 312 E HN 0.675 nan 8.360 nan 0.000 0.432 313 E N 1.771 121.725 120.200 -0.410 0.000 2.118 313 E HA -0.196 4.154 4.350 0.000 0.000 0.195 313 E C 1.473 177.863 176.600 -0.350 0.000 0.992 313 E CA 1.492 57.264 56.400 -1.047 0.000 0.804 313 E CB 0.117 29.005 29.700 -1.354 0.000 0.741 313 E HN 0.496 nan 8.360 nan 0.000 0.458 314 S N -0.421 115.172 115.700 -0.178 0.000 2.584 314 S HA -0.080 4.390 4.470 0.000 0.000 0.240 314 S C 1.849 176.453 174.600 0.006 0.000 0.975 314 S CA 0.630 58.821 58.200 -0.014 0.000 0.949 314 S CB 0.022 63.258 63.200 0.059 0.000 0.761 314 S HN 0.113 nan 8.310 nan 0.000 0.536 315 V N 0.574 120.421 119.914 -0.112 0.000 2.407 315 V HA -0.018 4.102 4.120 0.000 0.000 0.248 315 V C 0.787 176.662 176.094 -0.364 0.000 1.055 315 V CA 1.227 63.334 62.300 -0.322 0.000 1.049 315 V CB -0.700 30.849 31.823 -0.458 0.000 0.662 315 V HN 0.523 nan 8.190 nan 0.000 0.455 316 F N -1.155 118.805 119.950 0.017 0.000 2.379 316 F HA 0.334 4.861 4.527 0.000 0.000 0.332 316 F C 1.242 177.024 175.800 -0.030 0.000 1.096 316 F CA -0.082 57.966 58.000 0.080 0.000 1.105 316 F CB 0.703 39.737 39.000 0.057 0.000 1.189 316 F HN -0.048 nan 8.300 nan 0.000 0.515 317 H N 0.127 119.250 119.070 0.089 0.000 2.372 317 H HA 0.076 4.632 4.556 0.000 0.000 0.301 317 H C 0.583 175.888 175.328 -0.037 0.000 1.065 317 H CA 1.337 57.344 56.048 -0.068 0.000 1.364 317 H CB 0.415 30.119 29.762 -0.095 0.000 1.406 317 H HN 0.401 nan 8.280 nan 0.000 0.521 318 S N 0.062 115.873 115.700 0.185 0.000 2.259 318 S HA 0.239 4.709 4.470 0.000 0.000 0.181 318 S C 0.840 175.455 174.600 0.025 0.000 1.589 318 S CA -0.500 57.750 58.200 0.083 0.000 1.234 318 S CB 0.217 63.466 63.200 0.082 0.000 1.119 318 S HN 0.263 nan 8.310 nan 0.000 0.458 319 V N 3.276 123.174 119.914 -0.027 0.000 2.407 319 V HA -0.077 4.043 4.120 0.000 0.000 0.248 319 V C 2.680 178.730 176.094 -0.072 0.000 1.055 319 V CA 2.285 64.522 62.300 -0.105 0.000 1.049 319 V CB -1.062 30.690 31.823 -0.118 0.000 0.662 319 V HN 0.778 nan 8.190 nan 0.000 0.455 320 G N -0.279 108.498 108.800 -0.038 0.000 2.586 320 G HA2 -0.207 3.753 3.960 0.000 0.000 0.215 320 G HA3 -0.207 3.753 3.960 0.000 0.000 0.215 320 G C 1.271 176.162 174.900 -0.015 0.000 1.128 320 G CA 0.725 45.812 45.100 -0.022 0.000 0.774 320 G HN 0.532 nan 8.290 nan 0.000 0.543 321 N N -0.864 117.826 118.700 -0.016 0.000 2.250 321 N HA 0.125 4.866 4.740 0.000 0.000 0.190 321 N C 0.303 175.809 175.510 -0.007 0.000 1.116 321 N CA -0.416 52.638 53.050 0.007 0.000 0.881 321 N CB 0.277 38.780 38.487 0.025 0.000 1.006 321 N HN 0.262 nan 8.380 nan 0.000 0.491 322 L N 1.410 122.597 121.223 -0.059 0.000 2.418 322 L HA 0.121 4.461 4.340 0.000 0.000 0.274 322 L C 0.915 177.738 176.870 -0.078 0.000 1.135 322 L CA 0.734 55.513 54.840 -0.102 0.000 0.870 322 L CB 0.547 42.427 42.059 -0.298 0.000 1.154 322 L HN 0.101 nan 8.230 nan 0.000 0.462 323 E N 1.839 122.010 120.200 -0.048 0.000 2.364 323 E HA 0.159 4.509 4.350 0.000 0.000 0.203 323 E C -0.363 176.203 176.600 -0.058 0.000 0.888 323 E CA 0.291 56.664 56.400 -0.046 0.000 0.989 323 E CB 0.680 30.369 29.700 -0.018 0.000 0.985 323 E HN 0.655 nan 8.360 nan 0.000 0.499 324 T N 1.374 115.911 114.554 -0.029 0.000 2.890 324 T HA 0.413 4.764 4.350 0.000 0.000 0.295 324 T C -1.494 173.232 174.700 0.043 0.000 0.993 324 T CA -0.491 61.606 62.100 -0.005 0.000 0.979 324 T CB 1.411 70.290 68.868 0.018 0.000 0.967 324 T HN -0.099 nan 8.240 nan 0.000 0.441 325 L N 5.770 127.045 121.223 0.087 0.000 2.372 325 L HA 0.653 4.993 4.340 0.000 0.000 0.274 325 L C -1.435 175.575 176.870 0.233 0.000 0.988 325 L CA -0.703 54.240 54.840 0.171 0.000 0.833 325 L CB 0.863 43.032 42.059 0.184 0.000 1.236 325 L HN 0.497 nan 8.230 nan 0.000 0.410 326 I N 7.010 127.660 120.570 0.134 0.000 2.362 326 I HA 0.285 4.455 4.170 0.000 0.000 0.289 326 I C 0.322 176.427 176.117 -0.020 0.000 0.994 326 I CA -0.144 61.193 61.300 0.062 0.000 1.158 326 I CB 1.635 39.664 38.000 0.049 0.000 1.315 326 I HN 0.718 nan 8.210 nan 0.000 0.451 327 L N 3.905 125.044 121.223 -0.140 0.000 2.966 327 L HA 0.103 4.443 4.340 0.000 0.000 0.262 327 L C 0.300 177.051 176.870 -0.199 0.000 1.165 327 L CA -0.307 54.432 54.840 -0.169 0.000 0.978 327 L CB 0.260 42.170 42.059 -0.247 0.000 1.337 327 L HN 0.586 nan 8.230 nan 0.000 0.563 328 D N -0.564 119.718 120.400 -0.196 0.000 2.378 328 D HA -0.058 4.582 4.640 0.000 0.000 0.238 328 D C 0.664 176.902 176.300 -0.104 0.000 1.180 328 D CA 0.245 54.147 54.000 -0.164 0.000 0.895 328 D CB 0.840 41.561 40.800 -0.132 0.000 1.192 328 D HN -0.013 nan 8.370 nan 0.000 0.438 329 S N -0.313 115.336 115.700 -0.085 0.000 3.587 329 S HA -0.180 4.290 4.470 0.000 0.000 0.337 329 S C -0.558 174.008 174.600 -0.057 0.000 1.119 329 S CA 0.389 58.555 58.200 -0.056 0.000 0.976 329 S CB -1.845 61.333 63.200 -0.038 0.000 0.922 329 S HN 0.695 nan 8.310 nan 0.000 0.503 330 N N 1.281 119.938 118.700 -0.072 0.000 2.284 330 N HA 0.353 5.093 4.740 0.000 0.000 0.300 330 N C -2.917 172.562 175.510 -0.052 0.000 1.047 330 N CA -1.559 51.456 53.050 -0.058 0.000 0.821 330 N CB 1.840 40.289 38.487 -0.062 0.000 1.337 330 N HN -0.020 nan 8.380 nan 0.000 0.482 331 P HA 0.133 nan 4.420 nan 0.000 0.235 331 P C -0.166 177.122 177.300 -0.021 0.000 1.765 331 P CA -0.026 63.058 63.100 -0.026 0.000 1.034 331 P CB -0.204 31.486 31.700 -0.017 0.000 1.984 332 L N 1.362 122.569 121.223 -0.027 0.000 2.462 332 L HA 0.233 4.573 4.340 0.000 0.000 0.272 332 L C 1.119 177.988 176.870 -0.001 0.000 1.166 332 L CA -0.534 54.301 54.840 -0.008 0.000 0.880 332 L CB 0.356 42.407 42.059 -0.012 0.000 1.142 332 L HN 0.189 nan 8.230 nan 0.000 0.473 333 A N 3.552 126.374 122.820 0.004 0.000 2.350 333 A HA 0.212 4.532 4.320 0.000 0.000 0.293 333 A C 0.218 177.781 177.584 -0.035 0.000 1.231 333 A CA -0.454 51.572 52.037 -0.019 0.000 0.883 333 A CB -0.136 18.863 19.000 -0.003 0.000 1.133 333 A HN 0.879 nan 8.150 nan 0.000 0.533 334 c N 4.136 122.648 118.600 -0.148 0.000 2.861 334 c HA 0.292 4.862 4.570 0.000 0.000 0.542 334 c C 0.692 174.496 174.090 -0.477 0.000 1.074 334 c CA -0.622 55.467 56.329 -0.400 0.000 1.232 334 c CB -2.440 39.634 42.510 -0.727 0.000 1.433 334 c HN 0.922 nan 8.230 nan 0.000 0.606 335 D N -0.344 119.971 120.400 -0.142 0.000 2.564 335 D HA 0.202 4.842 4.640 0.000 0.000 0.273 335 D C 1.336 177.712 176.300 0.125 0.000 1.192 335 D CA -0.734 53.247 54.000 -0.033 0.000 1.080 335 D CB -0.016 40.789 40.800 0.008 0.000 1.160 335 D HN 0.334 nan 8.370 nan 0.000 0.607 336 c N -1.703 116.968 118.600 0.119 0.000 2.466 336 c HA 0.186 4.756 4.570 0.000 0.000 0.283 336 c C 2.028 176.217 174.090 0.164 0.000 1.472 336 c CA -0.244 56.169 56.329 0.140 0.000 1.765 336 c CB -1.346 41.219 42.510 0.092 0.000 1.724 336 c HN 0.461 nan 8.230 nan 0.000 0.560 337 R N -0.403 120.200 120.500 0.172 0.000 2.235 337 R HA 0.106 4.446 4.340 0.000 0.000 0.213 337 R C 1.270 177.754 176.300 0.307 0.000 1.059 337 R CA 0.674 56.912 56.100 0.230 0.000 0.997 337 R CB -0.113 30.296 30.300 0.181 0.000 0.884 337 R HN 0.403 nan 8.270 nan 0.000 0.462 338 L N -0.187 121.163 121.223 0.212 0.000 2.640 338 L HA 0.069 4.409 4.340 0.000 0.000 0.230 338 L C 1.391 178.194 176.870 -0.112 0.000 1.123 338 L CA 0.469 55.357 54.840 0.079 0.000 0.900 338 L CB 0.098 42.328 42.059 0.286 0.000 1.146 338 L HN 0.087 nan 8.230 nan 0.000 0.484 339 L N 0.267 121.473 121.223 -0.027 0.000 2.042 339 L HA -0.198 4.142 4.340 0.000 0.000 0.210 339 L C 2.428 179.244 176.870 -0.090 0.000 1.076 339 L CA 1.968 56.693 54.840 -0.191 0.000 0.749 339 L CB -0.850 41.172 42.059 -0.062 0.000 0.893 339 L HN 0.592 nan 8.230 nan 0.000 0.432 340 W N -1.369 119.934 121.300 0.005 0.000 2.350 340 W HA -0.148 4.512 4.660 0.000 0.000 0.289 340 W C 1.671 178.211 176.519 0.035 0.000 1.215 340 W CA 1.357 58.714 57.345 0.020 0.000 1.236 340 W CB -1.384 28.102 29.460 0.045 0.000 1.130 340 W HN 0.039 nan 8.180 nan 0.000 0.541 341 V N 1.253 120.645 119.914 -0.870 0.000 2.379 341 V HA -0.274 3.846 4.120 0.000 0.000 0.245 341 V C 2.327 178.295 176.094 -0.209 0.000 1.044 341 V CA 2.122 64.001 62.300 -0.701 0.000 1.036 341 V CB -1.343 30.087 31.823 -0.655 0.000 0.664 341 V HN 0.104 nan 8.190 nan 0.000 0.453 342 F N 1.313 121.007 119.950 -0.426 0.000 2.161 342 F HA -0.165 4.362 4.527 0.000 0.000 0.300 342 F C 2.512 178.051 175.800 -0.434 0.000 1.089 342 F CA 1.493 59.129 58.000 -0.606 0.000 1.282 342 F CB -0.113 38.121 39.000 -1.278 0.000 1.010 342 F HN -0.029 nan 8.300 nan 0.000 0.485 343 R N 0.560 120.951 120.500 -0.181 0.000 2.241 343 R HA -0.033 4.307 4.340 0.000 0.000 0.224 343 R C 1.304 177.493 176.300 -0.185 0.000 1.101 343 R CA 0.894 56.912 56.100 -0.137 0.000 0.995 343 R CB -0.623 29.675 30.300 -0.004 0.000 0.870 343 R HN 0.396 nan 8.270 nan 0.000 0.463 344 R N -0.557 119.810 120.500 -0.221 0.000 2.577 344 R HA 0.272 4.612 4.340 0.000 0.000 0.344 344 R C 1.403 177.489 176.300 -0.356 0.000 1.037 344 R CA -0.273 55.709 56.100 -0.197 0.000 1.102 344 R CB 0.411 30.660 30.300 -0.084 0.000 1.313 344 R HN 0.021 nan 8.270 nan 0.000 0.561 345 R N 0.369 120.530 120.500 -0.566 0.000 2.159 345 R HA -0.211 4.129 4.340 0.000 0.000 0.252 345 R C 0.820 176.677 176.300 -0.738 0.000 1.144 345 R CA 2.288 57.947 56.100 -0.734 0.000 0.961 345 R CB -0.161 29.346 30.300 -1.322 0.000 0.877 345 R HN 0.394 nan 8.270 nan 0.000 0.444 346 W N -0.486 120.665 121.300 -0.248 0.000 3.047 346 W HA 0.093 4.753 4.660 0.000 0.000 0.250 346 W C 1.902 178.294 176.519 -0.212 0.000 1.314 346 W CA -0.388 56.833 57.345 -0.207 0.000 1.540 346 W CB 0.178 29.555 29.460 -0.138 0.000 1.127 346 W HN 0.028 nan 8.180 nan 0.000 0.679 347 R N -0.637 119.803 120.500 -0.100 0.000 2.195 347 R HA 0.076 4.417 4.340 0.000 0.000 0.197 347 R C 1.523 177.690 176.300 -0.221 0.000 0.990 347 R CA 0.177 56.209 56.100 -0.112 0.000 1.048 347 R CB -0.423 29.829 30.300 -0.079 0.000 0.997 347 R HN 0.062 nan 8.270 nan 0.000 0.502 348 L N 1.295 122.262 121.223 -0.425 0.000 2.610 348 L HA 0.063 4.403 4.340 0.000 0.000 0.232 348 L C 0.031 176.568 176.870 -0.554 0.000 1.149 348 L CA 0.595 55.133 54.840 -0.503 0.000 0.872 348 L CB -1.138 40.578 42.059 -0.572 0.000 0.992 348 L HN 0.246 nan 8.230 nan 0.000 0.447 349 N N -1.720 116.674 118.700 -0.509 0.000 2.756 349 N HA -0.284 4.456 4.740 0.000 0.000 0.248 349 N C 0.682 176.116 175.510 -0.127 0.000 1.062 349 N CA 0.306 53.213 53.050 -0.237 0.000 0.696 349 N CB -1.322 37.099 38.487 -0.111 0.000 0.946 349 N HN 0.130 nan 8.380 nan 0.000 0.548 350 F N 0.293 120.234 119.950 -0.015 0.000 2.146 350 F HA 0.016 4.543 4.527 0.000 0.000 0.298 350 F C 2.115 177.915 175.800 -0.000 0.000 1.096 350 F CA 1.025 59.008 58.000 -0.028 0.000 1.275 350 F CB -0.665 38.300 39.000 -0.059 0.000 1.008 350 F HN 0.246 nan 8.300 nan 0.000 0.480 351 N N 0.081 118.895 118.700 0.190 0.000 1.742 351 N HA -0.340 4.400 4.740 0.000 0.000 0.162 351 N C 1.383 176.977 175.510 0.141 0.000 0.678 351 N CA 2.074 55.206 53.050 0.136 0.000 1.210 351 N CB -1.080 37.460 38.487 0.089 0.000 1.358 351 N HN 0.187 nan 8.380 nan 0.000 0.440 352 R N 0.795 121.354 120.500 0.099 0.000 2.246 352 R HA 0.094 4.434 4.340 0.000 0.000 0.199 352 R C 0.204 176.535 176.300 0.051 0.000 0.984 352 R CA 0.504 56.648 56.100 0.072 0.000 1.015 352 R CB -0.011 30.321 30.300 0.053 0.000 0.930 352 R HN 0.387 nan 8.270 nan 0.000 0.475 353 Q N 1.417 121.252 119.800 0.058 0.000 3.181 353 Q HA 0.075 4.415 4.340 0.000 0.000 0.293 353 Q C -0.880 175.071 176.000 -0.082 0.000 1.406 353 Q CA 0.081 55.886 55.803 0.003 0.000 1.026 353 Q CB 0.613 29.363 28.738 0.021 0.000 1.630 353 Q HN -0.043 nan 8.270 nan 0.000 0.553 354 Q N 1.823 121.556 119.800 -0.111 0.000 2.313 354 Q HA 0.201 4.541 4.340 0.000 0.000 0.266 354 Q C -2.288 173.444 176.000 -0.447 0.000 0.989 354 Q CA -1.982 53.657 55.803 -0.273 0.000 0.890 354 Q CB 0.676 29.360 28.738 -0.091 0.000 1.200 354 Q HN 0.168 nan 8.270 nan 0.000 0.396 355 P HA 0.004 nan 4.420 nan 0.000 0.266 355 P C -1.140 175.832 177.300 -0.547 0.000 1.195 355 P CA 0.202 62.768 63.100 -0.890 0.000 0.768 355 P CB 0.704 31.356 31.700 -1.747 0.000 0.838 356 T N 2.932 117.299 114.554 -0.312 0.000 2.809 356 T HA 0.256 4.606 4.350 0.000 0.000 0.284 356 T C -0.258 174.424 174.700 -0.030 0.000 0.992 356 T CA -0.251 61.787 62.100 -0.103 0.000 0.957 356 T CB 0.267 69.085 68.868 -0.084 0.000 0.942 356 T HN 0.346 nan 8.240 nan 0.000 0.439 357 c N 2.709 121.364 118.600 0.091 0.000 2.653 357 c HA 0.491 5.061 4.570 0.000 0.000 0.421 357 c C 1.866 175.954 174.090 -0.003 0.000 1.334 357 c CA -0.176 56.196 56.329 0.071 0.000 1.885 357 c CB -0.536 42.037 42.510 0.104 0.000 2.645 357 c HN 1.100 nan 8.230 nan 0.000 0.601 358 A N 2.423 125.230 122.820 -0.022 0.000 2.026 358 A HA 0.339 4.659 4.320 0.000 0.000 0.201 358 A C 0.918 178.478 177.584 -0.040 0.000 1.318 358 A CA 0.822 52.842 52.037 -0.029 0.000 0.857 358 A CB -0.114 18.872 19.000 -0.023 0.000 0.939 358 A HN 0.857 nan 8.150 nan 0.000 0.476 359 T N -2.544 111.979 114.554 -0.052 0.000 2.901 359 T HA 0.652 5.003 4.350 0.000 0.000 0.293 359 T C -3.280 171.345 174.700 -0.126 0.000 1.084 359 T CA -2.252 59.809 62.100 -0.065 0.000 1.008 359 T CB 2.172 71.020 68.868 -0.033 0.000 1.170 359 T HN 0.000 nan 8.240 nan 0.000 0.509 360 P HA 0.206 nan 4.420 nan 0.000 0.273 360 P C 0.729 177.991 177.300 -0.063 0.000 1.250 360 P CA -0.156 62.909 63.100 -0.057 0.000 0.793 360 P CB 0.716 32.441 31.700 0.041 0.000 1.011 361 E N 0.122 120.352 120.200 0.050 0.000 2.108 361 E HA -0.244 4.106 4.350 0.000 0.000 0.203 361 E C 1.560 178.206 176.600 0.075 0.000 1.022 361 E CA 1.843 58.283 56.400 0.067 0.000 0.823 361 E CB -0.701 29.061 29.700 0.103 0.000 0.744 361 E HN 0.620 nan 8.360 nan 0.000 0.456 362 F N -0.397 119.558 119.950 0.009 0.000 2.748 362 F HA 0.053 4.580 4.527 0.000 0.000 0.299 362 F C 1.462 177.300 175.800 0.062 0.000 1.154 362 F CA 0.270 58.284 58.000 0.023 0.000 1.446 362 F CB -0.037 38.965 39.000 0.003 0.000 1.112 362 F HN -0.118 nan 8.300 nan 0.000 0.584 363 V N -2.043 117.580 119.914 -0.484 0.000 3.253 363 V HA 0.199 4.319 4.120 0.000 0.000 0.320 363 V C 0.618 176.619 176.094 -0.156 0.000 1.442 363 V CA -0.467 61.639 62.300 -0.323 0.000 1.097 363 V CB -1.011 30.601 31.823 -0.352 0.000 1.008 363 V HN 0.384 nan 8.190 nan 0.000 0.463 364 Q N 1.660 121.395 119.800 -0.108 0.000 2.263 364 Q HA 0.315 4.655 4.340 0.000 0.000 0.289 364 Q C 1.416 177.389 176.000 -0.045 0.000 1.061 364 Q CA 1.575 57.343 55.803 -0.058 0.000 0.927 364 Q CB 0.490 29.210 28.738 -0.030 0.000 1.154 364 Q HN 1.059 nan 8.270 nan 0.000 0.378 365 G N 3.678 112.458 108.800 -0.033 0.000 2.205 365 G HA2 -0.289 3.671 3.960 0.000 0.000 0.261 365 G HA3 -0.289 3.671 3.960 0.000 0.000 0.261 365 G C -0.125 174.753 174.900 -0.037 0.000 0.980 365 G CA 0.344 45.427 45.100 -0.029 0.000 0.632 365 G HN 0.585 nan 8.290 nan 0.000 0.533 366 K N 1.292 121.657 120.400 -0.057 0.000 2.322 366 K HA 0.349 4.669 4.320 0.000 0.000 0.283 366 K C 0.365 176.976 176.600 0.019 0.000 1.042 366 K CA -0.104 56.115 56.287 -0.113 0.000 0.958 366 K CB 0.771 33.066 32.500 -0.341 0.000 0.984 366 K HN 0.451 nan 8.250 nan 0.000 0.473 367 E N 1.820 122.031 120.200 0.019 0.000 2.313 367 E HA 0.049 4.399 4.350 0.000 0.000 0.272 367 E C 0.478 177.289 176.600 0.352 0.000 1.038 367 E CA -0.463 56.016 56.400 0.131 0.000 0.863 367 E CB 0.476 30.206 29.700 0.049 0.000 1.060 367 E HN 0.390 nan 8.360 nan 0.000 0.402 368 F N 2.051 122.114 119.950 0.189 0.000 2.192 368 F HA -0.219 4.308 4.527 0.000 0.000 0.301 368 F C 2.143 178.109 175.800 0.277 0.000 1.079 368 F CA 1.532 59.757 58.000 0.375 0.000 1.303 368 F CB -0.550 38.495 39.000 0.075 0.000 1.024 368 F HN 0.490 nan 8.300 nan 0.000 0.494 369 K N -0.605 119.972 120.400 0.295 0.000 2.362 369 K HA -0.123 4.197 4.320 0.000 0.000 0.200 369 K C 1.242 177.965 176.600 0.204 0.000 1.046 369 K CA 1.695 58.111 56.287 0.215 0.000 0.952 369 K CB -0.373 32.262 32.500 0.224 0.000 0.753 369 K HN 0.118 nan 8.250 nan 0.000 0.466 370 D N 0.448 120.919 120.400 0.119 0.000 2.277 370 D HA -0.002 4.638 4.640 0.000 0.000 0.208 370 D C -0.069 176.175 176.300 -0.093 0.000 0.962 370 D CA 0.523 54.498 54.000 -0.041 0.000 0.865 370 D CB -0.024 40.659 40.800 -0.194 0.000 0.939 370 D HN 0.121 nan 8.370 nan 0.000 0.510 371 F N 2.324 122.332 119.950 0.096 0.000 2.429 371 F HA 0.178 4.706 4.527 0.000 0.000 0.348 371 F C -1.227 174.658 175.800 0.142 0.000 1.109 371 F CA -1.857 56.174 58.000 0.051 0.000 1.232 371 F CB 0.082 39.160 39.000 0.130 0.000 1.157 371 F HN -0.155 nan 8.300 nan 0.000 0.564 372 P HA 0.022 nan 4.420 nan 0.000 0.274 372 P C -0.035 177.444 177.300 0.297 0.000 1.264 372 P CA -0.167 63.076 63.100 0.239 0.000 0.795 372 P CB 0.977 32.784 31.700 0.180 0.000 1.064 373 D N -0.712 119.827 120.400 0.232 0.000 2.092 373 D HA -0.044 4.596 4.640 0.000 0.000 0.203 373 D C 0.305 176.727 176.300 0.203 0.000 0.978 373 D CA 1.082 55.215 54.000 0.222 0.000 0.861 373 D CB -0.696 40.205 40.800 0.169 0.000 1.005 373 D HN 0.025 nan 8.370 nan 0.000 0.450 374 V N 2.622 122.628 119.914 0.153 0.000 2.450 374 V HA -0.010 4.110 4.120 0.000 0.000 0.281 374 V C 0.674 176.857 176.094 0.148 0.000 1.019 374 V CA 0.044 62.421 62.300 0.129 0.000 1.062 374 V CB 0.255 32.139 31.823 0.101 0.000 0.979 374 V HN 0.075 nan 8.190 nan 0.000 0.477 375 L N 5.887 127.187 121.223 0.129 0.000 2.371 375 L HA 0.378 4.718 4.340 0.000 0.000 0.272 375 L C 0.218 177.211 176.870 0.205 0.000 1.124 375 L CA -0.269 54.661 54.840 0.151 0.000 0.816 375 L CB 1.091 43.171 42.059 0.034 0.000 1.129 375 L HN 0.475 nan 8.230 nan 0.000 0.448 376 L N 4.105 125.544 121.223 0.361 0.000 2.475 376 L HA 0.290 4.630 4.340 0.000 0.000 0.253 376 L C -1.762 175.201 176.870 0.153 0.000 1.198 376 L CA -1.561 53.434 54.840 0.258 0.000 0.814 376 L CB 0.242 42.476 42.059 0.291 0.000 1.134 376 L HN 0.446 nan 8.230 nan 0.000 0.478 377 P HA 0.051 nan 4.420 nan 0.000 0.271 377 P C -0.521 176.713 177.300 -0.109 0.000 1.233 377 P CA -0.041 63.049 63.100 -0.017 0.000 0.789 377 P CB 0.446 32.122 31.700 -0.040 0.000 0.951 378 N N -2.950 115.706 118.700 -0.074 0.000 2.951 378 N HA -0.201 4.539 4.740 0.000 0.000 0.218 378 N C -0.352 175.207 175.510 0.082 0.000 0.858 378 N CA 1.438 54.444 53.050 -0.074 0.000 1.050 378 N CB -2.019 36.297 38.487 -0.286 0.000 1.012 378 N HN 0.466 nan 8.380 nan 0.000 0.611 379 Y N 0.913 121.315 120.300 0.171 0.000 2.316 379 Y HA 0.391 4.941 4.550 0.000 0.000 0.331 379 Y C 0.980 176.871 175.900 -0.015 0.000 1.083 379 Y CA -0.729 57.400 58.100 0.048 0.000 1.206 379 Y CB 0.007 38.513 38.460 0.077 0.000 1.195 379 Y HN 0.041 nan 8.280 nan 0.000 0.497 380 F N 0.206 120.095 119.950 -0.102 0.000 3.004 380 F HA -0.257 4.270 4.527 0.000 0.000 0.264 380 F C 0.479 176.223 175.800 -0.093 0.000 0.979 380 F CA 0.897 58.775 58.000 -0.204 0.000 0.896 380 F CB -1.942 36.803 39.000 -0.425 0.000 0.813 380 F HN 0.422 nan 8.300 nan 0.000 0.804 381 T N -2.779 111.808 114.554 0.055 0.000 2.925 381 T HA 0.798 5.148 4.350 0.000 0.000 0.285 381 T C 0.025 174.746 174.700 0.035 0.000 1.021 381 T CA -0.828 61.302 62.100 0.049 0.000 1.042 381 T CB 2.158 71.049 68.868 0.038 0.000 1.037 381 T HN 0.209 nan 8.240 nan 0.000 0.481 382 c N 1.132 119.753 118.600 0.034 0.000 2.595 382 c HA 0.727 5.297 4.570 0.000 0.000 0.338 382 c C 0.376 174.476 174.090 0.018 0.000 1.219 382 c CA -1.129 55.217 56.329 0.027 0.000 1.811 382 c CB 1.229 43.758 42.510 0.033 0.000 2.313 382 c HN 1.079 nan 8.230 nan 0.000 0.499 383 R N 1.465 121.973 120.500 0.012 0.000 2.205 383 R HA 0.291 4.631 4.340 0.000 0.000 0.342 383 R C 0.353 176.655 176.300 0.003 0.000 1.058 383 R CA -0.242 55.861 56.100 0.005 0.000 0.904 383 R CB 0.236 30.538 30.300 0.003 0.000 1.089 383 R HN 0.778 nan 8.270 nan 0.000 0.471 384 R N 3.168 123.669 120.500 0.000 0.000 2.583 384 R HA -0.015 4.325 4.340 0.000 0.000 0.274 384 R C -0.548 175.747 176.300 -0.009 0.000 0.998 384 R CA 0.439 56.536 56.100 -0.004 0.000 1.081 384 R CB 0.474 30.770 30.300 -0.006 0.000 0.940 384 R HN 0.733 nan 8.270 nan 0.000 0.413 385 A N 4.881 127.693 122.820 -0.014 0.000 2.546 385 A HA 0.089 4.410 4.320 0.000 0.000 0.243 385 A C -0.033 177.536 177.584 -0.026 0.000 1.063 385 A CA 0.330 52.355 52.037 -0.020 0.000 0.757 385 A CB 0.190 19.173 19.000 -0.029 0.000 0.991 385 A HN 0.839 nan 8.150 nan 0.000 0.503 386 R N 2.593 123.078 120.500 -0.024 0.000 2.514 386 R HA 0.458 4.798 4.340 0.000 0.000 0.296 386 R C -1.325 174.959 176.300 -0.026 0.000 1.012 386 R CA -0.543 55.542 56.100 -0.025 0.000 0.897 386 R CB 1.082 31.372 30.300 -0.017 0.000 1.184 386 R HN 0.753 nan 8.270 nan 0.000 0.440 387 I N 5.224 125.772 120.570 -0.037 0.000 2.452 387 I HA 0.072 4.242 4.170 0.000 0.000 0.287 387 I C 1.586 177.692 176.117 -0.017 0.000 1.079 387 I CA -0.026 61.253 61.300 -0.035 0.000 1.387 387 I CB 0.964 38.927 38.000 -0.061 0.000 1.404 387 I HN 0.561 nan 8.210 nan 0.000 0.522 388 R N 3.242 123.739 120.500 -0.005 0.000 2.073 388 R HA -0.077 4.263 4.340 0.000 0.000 0.229 388 R C 0.241 176.545 176.300 0.007 0.000 1.120 388 R CA 0.910 57.011 56.100 0.002 0.000 0.967 388 R CB -0.245 30.059 30.300 0.007 0.000 0.862 388 R HN 0.600 nan 8.270 nan 0.000 0.436 389 D N 0.304 120.713 120.400 0.014 0.000 2.232 389 D HA 0.088 4.728 4.640 0.000 0.000 0.242 389 D C 0.304 176.617 176.300 0.022 0.000 1.093 389 D CA -0.351 53.662 54.000 0.022 0.000 0.845 389 D CB 0.876 41.697 40.800 0.035 0.000 1.124 389 D HN -0.232 nan 8.370 nan 0.000 0.467 390 R N 2.825 123.338 120.500 0.021 0.000 2.468 390 R HA 0.167 4.507 4.340 0.000 0.000 0.280 390 R C -0.183 176.139 176.300 0.036 0.000 0.963 390 R CA -0.261 55.852 56.100 0.021 0.000 1.083 390 R CB -0.089 30.218 30.300 0.013 0.000 1.200 390 R HN 0.326 nan 8.270 nan 0.000 0.541 391 K N 1.320 121.748 120.400 0.046 0.000 2.276 391 K HA 0.331 4.651 4.320 0.000 0.000 0.283 391 K C 0.083 176.734 176.600 0.086 0.000 1.044 391 K CA -0.226 56.097 56.287 0.061 0.000 0.944 391 K CB 1.490 34.025 32.500 0.058 0.000 1.012 391 K HN 0.005 nan 8.250 nan 0.000 0.472 392 A N 3.736 126.619 122.820 0.104 0.000 2.409 392 A HA 0.099 4.419 4.320 0.000 0.000 0.262 392 A C -0.062 177.637 177.584 0.190 0.000 1.113 392 A CA -0.284 51.845 52.037 0.153 0.000 0.790 392 A CB 0.082 19.190 19.000 0.181 0.000 1.046 392 A HN 0.676 nan 8.150 nan 0.000 0.496 393 Q N 1.526 121.465 119.800 0.233 0.000 2.294 393 Q HA 0.256 4.596 4.340 0.000 0.000 0.257 393 Q C -0.725 175.495 176.000 0.367 0.000 0.955 393 Q CA 0.004 55.980 55.803 0.287 0.000 0.936 393 Q CB 0.965 29.922 28.738 0.365 0.000 1.188 393 Q HN 0.616 nan 8.270 nan 0.000 0.420 394 Q N 2.474 122.465 119.800 0.319 0.000 2.413 394 Q HA 0.298 4.638 4.340 0.000 0.000 0.258 394 Q C -0.871 175.328 176.000 0.331 0.000 1.037 394 Q CA -0.410 55.604 55.803 0.352 0.000 0.764 394 Q CB 1.544 30.463 28.738 0.301 0.000 1.217 394 Q HN 0.548 nan 8.270 nan 0.000 0.490 395 V N -0.053 120.038 119.914 0.294 0.000 2.459 395 V HA 0.690 4.810 4.120 0.000 0.000 0.295 395 V C -0.714 175.431 176.094 0.084 0.000 1.029 395 V CA -0.738 61.662 62.300 0.167 0.000 0.874 395 V CB 0.991 32.764 31.823 -0.084 0.000 0.985 395 V HN 0.426 nan 8.190 nan 0.000 0.438 396 F N 3.552 123.541 119.950 0.065 0.000 2.443 396 F HA 0.805 5.332 4.527 0.000 0.000 0.335 396 F C 0.105 175.904 175.800 -0.002 0.000 1.104 396 F CA -0.699 57.339 58.000 0.063 0.000 1.013 396 F CB 2.170 41.174 39.000 0.007 0.000 1.136 396 F HN 0.588 nan 8.300 nan 0.000 0.470 397 V N 3.031 123.036 119.914 0.151 0.000 2.808 397 V HA 0.371 4.491 4.120 0.000 0.000 0.308 397 V C -1.333 174.804 176.094 0.071 0.000 1.099 397 V CA -0.655 61.680 62.300 0.059 0.000 0.920 397 V CB 2.093 33.927 31.823 0.019 0.000 1.014 397 V HN 0.608 nan 8.190 nan 0.000 0.425 398 D N 3.802 124.205 120.400 0.005 0.000 2.308 398 D HA 0.205 4.846 4.640 0.000 0.000 0.251 398 D C 0.203 176.651 176.300 0.247 0.000 1.127 398 D CA 0.242 54.285 54.000 0.071 0.000 0.876 398 D CB 1.243 41.996 40.800 -0.078 0.000 1.176 398 D HN 0.712 nan 8.370 nan 0.000 0.446 399 E N 1.001 121.311 120.200 0.183 0.000 2.820 399 E HA 0.069 4.419 4.350 0.000 0.000 0.251 399 E C 0.888 177.602 176.600 0.189 0.000 0.944 399 E CA 0.740 57.236 56.400 0.161 0.000 0.955 399 E CB -0.002 29.763 29.700 0.108 0.000 0.904 399 E HN 0.706 nan 8.360 nan 0.000 0.513 400 G N 3.509 112.401 108.800 0.153 0.000 2.159 400 G HA2 -0.236 3.724 3.960 0.000 0.000 0.227 400 G HA3 -0.236 3.724 3.960 0.000 0.000 0.227 400 G C -0.371 174.535 174.900 0.011 0.000 0.986 400 G CA 0.249 45.408 45.100 0.100 0.000 0.651 400 G HN 0.716 nan 8.290 nan 0.000 0.523 401 H N 0.084 119.201 119.070 0.079 0.000 2.595 401 H HA 0.686 5.242 4.556 0.000 0.000 0.346 401 H C 0.305 175.588 175.328 -0.075 0.000 1.181 401 H CA 0.296 56.351 56.048 0.011 0.000 1.242 401 H CB 1.237 30.999 29.762 0.000 0.000 1.652 401 H HN 0.116 nan 8.280 nan 0.000 0.548 402 T N 1.842 116.388 114.554 -0.012 0.000 2.856 402 T HA 0.495 4.845 4.350 0.000 0.000 0.292 402 T C -0.441 174.190 174.700 -0.115 0.000 0.980 402 T CA -0.582 61.441 62.100 -0.128 0.000 1.091 402 T CB 0.421 69.180 68.868 -0.181 0.000 0.936 402 T HN 0.192 nan 8.240 nan 0.000 0.503 403 V N 3.032 122.836 119.914 -0.184 0.000 3.049 403 V HA 0.478 4.598 4.120 0.000 0.000 0.309 403 V C -0.801 175.065 176.094 -0.379 0.000 1.148 403 V CA -1.038 61.099 62.300 -0.273 0.000 0.990 403 V CB 2.368 34.006 31.823 -0.307 0.000 1.039 403 V HN 0.822 nan 8.190 nan 0.000 0.430 404 Q N 2.044 121.582 119.800 -0.435 0.000 2.356 404 Q HA 0.653 4.994 4.340 0.000 0.000 0.270 404 Q C -1.897 173.775 176.000 -0.546 0.000 1.058 404 Q CA -0.517 55.027 55.803 -0.431 0.000 0.802 404 Q CB 3.006 31.575 28.738 -0.281 0.000 1.303 404 Q HN 0.595 nan 8.270 nan 0.000 0.444 405 F N 0.945 120.712 119.950 -0.304 0.000 2.450 405 F HA 0.450 4.977 4.527 0.000 0.000 0.332 405 F C 0.217 175.973 175.800 -0.074 0.000 1.093 405 F CA -1.016 56.850 58.000 -0.223 0.000 1.003 405 F CB 1.527 40.259 39.000 -0.447 0.000 1.151 405 F HN 0.263 nan 8.300 nan 0.000 0.474 406 V N 0.043 120.121 119.914 0.274 0.000 2.617 406 V HA 0.627 4.747 4.120 0.000 0.000 0.298 406 V C -0.669 175.643 176.094 0.363 0.000 1.048 406 V CA -0.831 61.613 62.300 0.239 0.000 0.964 406 V CB 1.288 33.183 31.823 0.120 0.000 1.004 406 V HN 0.916 nan 8.190 nan 0.000 0.466 407 c N 5.998 124.793 118.600 0.326 0.000 3.287 407 c HA 0.451 5.021 4.570 0.000 0.000 0.260 407 c C 0.149 174.308 174.090 0.116 0.000 1.133 407 c CA -0.593 55.863 56.329 0.213 0.000 1.402 407 c CB -0.483 42.144 42.510 0.195 0.000 1.832 407 c HN 1.078 nan 8.230 nan 0.000 0.509 408 R N 3.124 123.671 120.500 0.079 0.000 2.272 408 R HA 0.572 4.912 4.340 0.000 0.000 0.334 408 R C 0.036 176.351 176.300 0.025 0.000 1.117 408 R CA 0.206 56.337 56.100 0.051 0.000 0.966 408 R CB 0.421 30.747 30.300 0.043 0.000 1.049 408 R HN 0.798 nan 8.270 nan 0.000 0.477 409 A N 3.619 126.449 122.820 0.018 0.000 2.340 409 A HA 0.422 4.742 4.320 0.000 0.000 0.331 409 A C -0.987 176.599 177.584 0.003 0.000 1.140 409 A CA -0.701 51.335 52.037 -0.002 0.000 0.801 409 A CB 1.426 20.413 19.000 -0.021 0.000 1.234 409 A HN 0.719 nan 8.150 nan 0.000 0.469 410 D N -0.265 120.134 120.400 -0.003 0.000 2.601 410 D HA 0.697 5.337 4.640 0.000 0.000 0.230 410 D C -0.242 176.056 176.300 -0.003 0.000 1.106 410 D CA 0.475 54.475 54.000 0.000 0.000 0.873 410 D CB 2.487 43.288 40.800 0.001 0.000 1.515 410 D HN 1.072 nan 8.370 nan 0.000 0.468 411 G N 1.190 109.990 108.800 -0.000 0.000 2.321 411 G HA2 0.252 4.212 3.960 0.000 0.000 0.298 411 G HA3 0.252 4.212 3.960 0.000 0.000 0.298 411 G C -2.098 172.805 174.900 0.004 0.000 1.385 411 G CA -0.602 44.498 45.100 -0.000 0.000 0.856 411 G HN 0.382 nan 8.290 nan 0.000 0.584 412 D N 0.672 121.076 120.400 0.006 0.000 2.936 412 D HA 0.482 5.122 4.640 0.000 0.000 0.238 412 D C -2.486 173.822 176.300 0.014 0.000 1.248 412 D CA -1.083 52.923 54.000 0.010 0.000 0.903 412 D CB 3.302 44.109 40.800 0.011 0.000 1.544 412 D HN 0.186 nan 8.370 nan 0.000 0.543 413 P HA 0.162 nan 4.420 nan 0.000 0.269 413 P C -2.548 174.758 177.300 0.010 0.000 1.209 413 P CA -1.023 62.085 63.100 0.014 0.000 0.776 413 P CB -0.482 31.229 31.700 0.018 0.000 0.876 414 P HA -0.037 nan 4.420 nan 0.000 0.257 414 P C -2.044 175.260 177.300 0.006 0.000 1.153 414 P CA -0.113 62.992 63.100 0.009 0.000 0.762 414 P CB -1.102 30.605 31.700 0.012 0.000 0.743 415 P HA 0.176 nan 4.420 nan 0.000 0.274 415 P C -0.674 176.624 177.300 -0.004 0.000 1.231 415 P CA -0.253 62.843 63.100 -0.006 0.000 0.790 415 P CB 0.771 32.463 31.700 -0.014 0.000 0.951 416 A N 3.073 125.886 122.820 -0.012 0.000 2.309 416 A HA 0.557 4.878 4.320 0.000 0.000 0.298 416 A C -0.002 177.570 177.584 -0.020 0.000 1.165 416 A CA -0.603 51.428 52.037 -0.009 0.000 0.821 416 A CB 0.037 19.028 19.000 -0.016 0.000 1.102 416 A HN 0.383 nan 8.150 nan 0.000 0.500 417 I N 3.127 123.698 120.570 0.002 0.000 2.354 417 I HA 0.401 4.571 4.170 0.000 0.000 0.292 417 I C -0.807 175.314 176.117 0.006 0.000 0.989 417 I CA -0.396 60.893 61.300 -0.019 0.000 1.188 417 I CB 0.699 38.732 38.000 0.054 0.000 1.342 417 I HN 0.394 nan 8.210 nan 0.000 0.457 418 L N 5.928 127.100 121.223 -0.085 0.000 2.362 418 L HA 0.531 4.871 4.340 0.000 0.000 0.271 418 L C -1.070 175.734 176.870 -0.111 0.000 1.002 418 L CA -0.299 54.533 54.840 -0.013 0.000 0.818 418 L CB 1.824 43.868 42.059 -0.025 0.000 1.298 418 L HN 0.401 nan 8.230 nan 0.000 0.420 419 W N 3.272 124.590 121.300 0.030 0.000 2.587 419 W HA 0.660 5.320 4.660 0.000 0.000 0.324 419 W C -0.856 175.694 176.519 0.051 0.000 1.040 419 W CA -0.459 56.915 57.345 0.049 0.000 1.222 419 W CB 1.760 31.275 29.460 0.092 0.000 1.381 419 W HN 0.201 nan 8.180 nan 0.000 0.483 420 L N 4.801 126.159 121.223 0.224 0.000 2.262 420 L HA 0.481 4.821 4.340 0.000 0.000 0.288 420 L C 0.539 177.460 176.870 0.086 0.000 1.035 420 L CA -0.286 54.621 54.840 0.112 0.000 0.820 420 L CB 0.260 42.320 42.059 0.002 0.000 1.204 420 L HN 0.386 nan 8.230 nan 0.000 0.424 421 S N 4.726 120.463 115.700 0.061 0.000 2.600 421 S HA 0.410 4.880 4.470 0.000 0.000 0.265 421 S C -1.835 172.564 174.600 -0.336 0.000 1.325 421 S CA -0.735 57.359 58.200 -0.177 0.000 1.002 421 S CB 0.505 63.727 63.200 0.036 0.000 0.921 421 S HN 0.625 nan 8.310 nan 0.000 0.554 422 P HA 0.112 nan 4.420 nan 0.000 0.233 422 P C 0.691 177.882 177.300 -0.183 0.000 1.167 422 P CA 0.640 63.528 63.100 -0.353 0.000 0.770 422 P CB 0.010 31.476 31.700 -0.391 0.000 0.837 423 R N -0.018 120.410 120.500 -0.119 0.000 2.335 423 R HA 0.147 4.487 4.340 0.000 0.000 0.223 423 R C 0.349 176.574 176.300 -0.123 0.000 0.940 423 R CA 0.016 56.096 56.100 -0.034 0.000 1.086 423 R CB -0.502 29.871 30.300 0.122 0.000 1.073 423 R HN 0.012 nan 8.270 nan 0.000 0.504 424 K N -0.276 120.036 120.400 -0.146 0.000 3.129 424 K HA -0.221 4.099 4.320 0.000 0.000 0.273 424 K C -1.002 175.442 176.600 -0.259 0.000 1.123 424 K CA 0.725 56.901 56.287 -0.186 0.000 0.800 424 K CB -1.633 30.751 32.500 -0.194 0.000 1.238 424 K HN 0.443 nan 8.250 nan 0.000 0.492 425 H N -0.241 118.817 119.070 -0.021 0.000 2.458 425 H HA 0.417 4.973 4.556 0.000 0.000 0.330 425 H C -0.512 174.835 175.328 0.030 0.000 1.111 425 H CA -0.967 55.084 56.048 0.005 0.000 1.245 425 H CB 1.259 31.030 29.762 0.015 0.000 1.456 425 H HN 0.006 nan 8.280 nan 0.000 0.488 426 L N 4.585 125.901 121.223 0.154 0.000 2.255 426 L HA 0.298 4.638 4.340 0.000 0.000 0.289 426 L C -1.098 175.849 176.870 0.128 0.000 1.046 426 L CA -0.371 54.537 54.840 0.114 0.000 0.816 426 L CB 0.486 42.578 42.059 0.055 0.000 1.197 426 L HN 0.407 nan 8.230 nan 0.000 0.427 427 V N 4.529 124.545 119.914 0.170 0.000 2.472 427 V HA 0.824 4.944 4.120 0.000 0.000 0.290 427 V C 0.242 176.435 176.094 0.164 0.000 1.037 427 V CA -0.070 62.324 62.300 0.158 0.000 0.908 427 V CB 1.201 33.135 31.823 0.185 0.000 0.985 427 V HN 0.939 nan 8.190 nan 0.000 0.454 428 S N 3.283 119.044 115.700 0.101 0.000 2.880 428 S HA 0.757 5.227 4.470 0.000 0.000 0.308 428 S C 1.028 175.654 174.600 0.043 0.000 1.195 428 S CA 0.008 58.260 58.200 0.086 0.000 0.866 428 S CB 1.371 64.598 63.200 0.045 0.000 1.254 428 S HN 1.011 nan 8.310 nan 0.000 0.571 429 A N 1.276 124.111 122.820 0.025 0.000 1.908 429 A HA -0.043 4.277 4.320 0.000 0.000 0.218 429 A C 1.952 179.517 177.584 -0.032 0.000 1.181 429 A CA 1.507 53.538 52.037 -0.010 0.000 0.627 429 A CB -0.910 18.085 19.000 -0.008 0.000 0.818 429 A HN 0.699 nan 8.150 nan 0.000 0.445 430 K N 0.528 120.913 120.400 -0.025 0.000 2.211 430 K HA 0.023 4.343 4.320 0.000 0.000 0.203 430 K C 1.019 177.599 176.600 -0.034 0.000 1.050 430 K CA 0.415 56.682 56.287 -0.033 0.000 0.945 430 K CB -0.595 31.885 32.500 -0.033 0.000 0.732 430 K HN 0.357 nan 8.250 nan 0.000 0.451 431 S N 1.477 117.163 115.700 -0.024 0.000 2.563 431 S HA 0.032 4.502 4.470 0.000 0.000 0.284 431 S C 0.083 174.659 174.600 -0.040 0.000 1.331 431 S CA -0.151 58.036 58.200 -0.022 0.000 1.047 431 S CB 0.250 63.450 63.200 -0.000 0.000 0.859 431 S HN 0.188 nan 8.310 nan 0.000 0.514 432 N N 1.047 119.724 118.700 -0.039 0.000 2.312 432 N HA 0.691 5.431 4.740 0.000 0.000 0.296 432 N C -0.002 175.482 175.510 -0.043 0.000 1.193 432 N CA 0.026 53.050 53.050 -0.044 0.000 0.773 432 N CB 1.851 40.315 38.487 -0.039 0.000 1.435 432 N HN 0.923 nan 8.380 nan 0.000 0.484 433 G N 0.477 109.254 108.800 -0.039 0.000 2.498 433 G HA2 -0.189 3.771 3.960 0.000 0.000 0.651 433 G HA3 -0.189 3.771 3.960 0.000 0.000 0.651 433 G C 0.468 175.354 174.900 -0.024 0.000 1.284 433 G CA -0.164 44.918 45.100 -0.030 0.000 0.950 433 G HN 0.726 nan 8.290 nan 0.000 0.511 434 R N -0.648 119.850 120.500 -0.003 0.000 2.285 434 R HA 0.131 4.471 4.340 0.000 0.000 0.213 434 R C 0.823 177.108 176.300 -0.024 0.000 1.068 434 R CA 0.722 56.823 56.100 0.003 0.000 1.004 434 R CB -0.273 30.061 30.300 0.058 0.000 0.873 434 R HN 0.345 nan 8.270 nan 0.000 0.467 435 L N 2.654 123.864 121.223 -0.021 0.000 2.265 435 L HA 0.284 4.624 4.340 0.000 0.000 0.288 435 L C -0.241 176.601 176.870 -0.046 0.000 1.058 435 L CA -0.388 54.436 54.840 -0.026 0.000 0.809 435 L CB 1.726 43.794 42.059 0.015 0.000 1.179 435 L HN 0.177 nan 8.230 nan 0.000 0.429 436 T N 0.194 114.707 114.554 -0.069 0.000 2.900 436 T HA 0.718 5.068 4.350 0.000 0.000 0.295 436 T C -0.552 174.097 174.700 -0.085 0.000 1.044 436 T CA -0.808 61.224 62.100 -0.113 0.000 0.995 436 T CB 2.029 70.768 68.868 -0.214 0.000 1.072 436 T HN 0.089 nan 8.240 nan 0.000 0.473 437 V N 2.874 122.738 119.914 -0.082 0.000 2.448 437 V HA 0.502 4.622 4.120 0.000 0.000 0.295 437 V C -0.632 175.454 176.094 -0.012 0.000 1.025 437 V CA -0.880 61.452 62.300 0.054 0.000 0.859 437 V CB 0.821 32.743 31.823 0.165 0.000 0.988 437 V HN 0.875 nan 8.190 nan 0.000 0.431 438 F N 5.885 125.859 119.950 0.040 0.000 2.370 438 F HA 0.362 4.889 4.527 0.000 0.000 0.324 438 F C -0.639 175.192 175.800 0.052 0.000 1.116 438 F CA -1.583 56.436 58.000 0.032 0.000 1.123 438 F CB 0.885 39.895 39.000 0.017 0.000 1.238 438 F HN 0.362 nan 8.300 nan 0.000 0.536 439 P HA -0.211 nan 4.420 nan 0.000 0.217 439 P C 0.490 177.870 177.300 0.134 0.000 1.148 439 P CA 1.730 64.907 63.100 0.129 0.000 0.828 439 P CB -0.091 31.671 31.700 0.103 0.000 0.783 440 D N -2.111 118.388 120.400 0.165 0.000 2.328 440 D HA 0.089 4.729 4.640 0.000 0.000 0.221 440 D C 1.258 177.650 176.300 0.154 0.000 1.072 440 D CA 0.547 54.621 54.000 0.123 0.000 0.850 440 D CB -0.345 40.507 40.800 0.086 0.000 0.922 440 D HN 0.250 nan 8.370 nan 0.000 0.516 441 G N 0.585 109.519 108.800 0.223 0.000 2.175 441 G HA2 -0.252 3.708 3.960 0.000 0.000 0.244 441 G HA3 -0.252 3.708 3.960 0.000 0.000 0.244 441 G C 0.382 175.542 174.900 0.433 0.000 0.982 441 G CA 0.180 45.462 45.100 0.305 0.000 0.641 441 G HN 0.387 nan 8.290 nan 0.000 0.527 442 T N 1.162 115.892 114.554 0.294 0.000 2.888 442 T HA 0.441 4.792 4.350 0.000 0.000 0.301 442 T C 0.187 174.990 174.700 0.171 0.000 1.001 442 T CA 0.285 62.489 62.100 0.173 0.000 1.147 442 T CB 1.725 70.529 68.868 -0.105 0.000 0.931 442 T HN 0.628 nan 8.240 nan 0.000 0.541 443 L N 3.693 124.818 121.223 -0.162 0.000 2.282 443 L HA 0.498 4.838 4.340 0.000 0.000 0.288 443 L C -0.030 176.698 176.870 -0.237 0.000 1.033 443 L CA -0.289 54.301 54.840 -0.416 0.000 0.807 443 L CB 1.173 42.440 42.059 -1.319 0.000 1.209 443 L HN 0.647 nan 8.230 nan 0.000 0.423 444 E N 3.957 124.110 120.200 -0.078 0.000 2.171 444 E HA 0.531 4.882 4.350 0.000 0.000 0.271 444 E C -1.711 174.813 176.600 -0.128 0.000 0.916 444 E CA -0.823 55.528 56.400 -0.082 0.000 0.774 444 E CB 1.654 31.421 29.700 0.111 0.000 1.128 444 E HN 0.505 nan 8.360 nan 0.000 0.403 445 V N 5.900 125.708 119.914 -0.177 0.000 2.313 445 V HA 0.220 4.340 4.120 0.000 0.000 0.278 445 V C 0.979 176.990 176.094 -0.138 0.000 1.017 445 V CA -0.673 61.552 62.300 -0.126 0.000 0.823 445 V CB 0.973 32.727 31.823 -0.114 0.000 1.010 445 V HN 0.732 nan 8.190 nan 0.000 0.443 446 R N 4.062 124.477 120.500 -0.142 0.000 2.057 446 R HA 0.034 4.374 4.340 0.000 0.000 0.229 446 R C -0.232 175.771 176.300 -0.495 0.000 1.136 446 R CA 1.610 57.522 56.100 -0.313 0.000 0.952 446 R CB 0.060 30.189 30.300 -0.284 0.000 0.848 446 R HN 0.597 nan 8.270 nan 0.000 0.430 447 Y N -0.185 120.101 120.300 -0.023 0.000 2.426 447 Y HA 0.565 5.115 4.550 0.000 0.000 0.325 447 Y C -0.519 175.379 175.900 -0.004 0.000 0.989 447 Y CA -1.148 56.938 58.100 -0.024 0.000 1.284 447 Y CB 1.452 39.891 38.460 -0.034 0.000 1.104 447 Y HN 0.161 nan 8.280 nan 0.000 0.481 448 A N 3.659 126.553 122.820 0.124 0.000 2.401 448 A HA 0.602 4.922 4.320 0.000 0.000 0.259 448 A C -0.232 177.415 177.584 0.105 0.000 1.103 448 A CA -0.253 51.842 52.037 0.095 0.000 0.789 448 A CB 0.422 19.465 19.000 0.071 0.000 1.035 448 A HN 0.812 nan 8.150 nan 0.000 0.491 449 Q N 1.114 120.969 119.800 0.091 0.000 2.433 449 Q HA 0.413 4.753 4.340 0.000 0.000 0.279 449 Q C 0.850 176.893 176.000 0.073 0.000 1.105 449 Q CA -0.908 54.941 55.803 0.077 0.000 0.815 449 Q CB 1.955 30.730 28.738 0.063 0.000 1.403 449 Q HN 0.410 nan 8.270 nan 0.000 0.435 450 V N 1.394 121.345 119.914 0.062 0.000 2.370 450 V HA -0.367 3.753 4.120 0.000 0.000 0.252 450 V C 2.192 178.317 176.094 0.051 0.000 1.068 450 V CA 2.584 64.918 62.300 0.056 0.000 1.061 450 V CB -0.796 31.055 31.823 0.047 0.000 0.656 450 V HN 0.861 nan 8.190 nan 0.000 0.455 451 Q N -0.425 119.404 119.800 0.048 0.000 2.308 451 Q HA -0.273 4.067 4.340 0.000 0.000 0.209 451 Q C 1.283 177.314 176.000 0.051 0.000 0.985 451 Q CA 2.081 57.910 55.803 0.043 0.000 0.881 451 Q CB -0.454 28.311 28.738 0.044 0.000 0.917 451 Q HN 0.550 nan 8.270 nan 0.000 0.443 452 D N 0.697 121.147 120.400 0.082 0.000 2.355 452 D HA 0.002 4.642 4.640 0.000 0.000 0.218 452 D C -0.080 176.306 176.300 0.144 0.000 1.004 452 D CA 0.097 54.181 54.000 0.139 0.000 0.880 452 D CB -0.242 40.675 40.800 0.194 0.000 0.911 452 D HN 0.283 nan 8.370 nan 0.000 0.528 453 N N 0.554 119.299 118.700 0.075 0.000 2.353 453 N HA 0.213 4.953 4.740 0.000 0.000 0.248 453 N C 0.601 176.103 175.510 -0.012 0.000 1.240 453 N CA 1.452 54.524 53.050 0.036 0.000 0.862 453 N CB 0.480 38.975 38.487 0.013 0.000 1.086 453 N HN 0.195 nan 8.380 nan 0.000 0.453 454 G N 0.657 109.438 108.800 -0.031 0.000 2.318 454 G HA2 -0.078 3.882 3.960 0.000 0.000 0.367 454 G HA3 -0.078 3.882 3.960 0.000 0.000 0.367 454 G C -1.205 173.658 174.900 -0.061 0.000 1.260 454 G CA -0.456 44.601 45.100 -0.071 0.000 1.055 454 G HN 0.631 nan 8.290 nan 0.000 0.484 455 T N 0.985 115.455 114.554 -0.139 0.000 2.806 455 T HA 0.622 4.972 4.350 0.000 0.000 0.290 455 T C -0.671 173.856 174.700 -0.288 0.000 0.966 455 T CA 0.257 62.222 62.100 -0.226 0.000 1.060 455 T CB 0.856 69.596 68.868 -0.214 0.000 0.927 455 T HN 0.424 nan 8.240 nan 0.000 0.485 456 Y N 1.533 121.667 120.300 -0.277 0.000 2.457 456 Y HA 0.645 5.195 4.550 0.000 0.000 0.333 456 Y C -0.141 175.676 175.900 -0.139 0.000 1.119 456 Y CA -1.251 56.767 58.100 -0.136 0.000 1.143 456 Y CB 1.332 39.705 38.460 -0.145 0.000 1.230 456 Y HN 0.383 nan 8.280 nan 0.000 0.469 457 L N 2.813 124.074 121.223 0.064 0.000 2.372 457 L HA 0.468 4.808 4.340 0.000 0.000 0.273 457 L C -1.082 175.586 176.870 -0.336 0.000 0.989 457 L CA -0.601 54.161 54.840 -0.130 0.000 0.841 457 L CB 0.999 42.983 42.059 -0.125 0.000 1.225 457 L HN 0.824 nan 8.230 nan 0.000 0.414 458 c N 6.739 124.893 118.600 -0.743 0.000 2.482 458 c HA 0.557 5.128 4.570 0.000 0.000 0.378 458 c C 0.182 173.904 174.090 -0.614 0.000 1.284 458 c CA -0.635 54.947 56.329 -1.245 0.000 1.826 458 c CB -1.255 40.317 42.510 -1.563 0.000 2.473 458 c HN 0.692 nan 8.230 nan 0.000 0.562 459 I N 6.616 126.892 120.570 -0.491 0.000 2.382 459 I HA 0.440 4.610 4.170 0.000 0.000 0.285 459 I C 0.463 176.447 176.117 -0.221 0.000 1.007 459 I CA -0.087 61.048 61.300 -0.275 0.000 1.142 459 I CB 1.228 39.119 38.000 -0.182 0.000 1.289 459 I HN 0.771 nan 8.210 nan 0.000 0.453 460 A N 5.534 128.250 122.820 -0.173 0.000 2.276 460 A HA 0.902 5.222 4.320 0.000 0.000 0.316 460 A C -0.254 177.282 177.584 -0.079 0.000 1.229 460 A CA -0.337 51.632 52.037 -0.113 0.000 0.851 460 A CB 0.832 19.775 19.000 -0.095 0.000 1.165 460 A HN 0.797 nan 8.150 nan 0.000 0.513 461 A N 3.284 126.069 122.820 -0.059 0.000 2.475 461 A HA 0.845 5.165 4.320 0.000 0.000 0.301 461 A C -0.599 176.968 177.584 -0.028 0.000 1.059 461 A CA -0.571 51.440 52.037 -0.044 0.000 0.710 461 A CB 1.318 20.290 19.000 -0.047 0.000 1.288 461 A HN 1.365 nan 8.150 nan 0.000 0.408 462 N N -0.433 118.256 118.700 -0.019 0.000 3.243 462 N HA 0.545 5.285 4.740 0.000 0.000 0.280 462 N C 0.550 176.062 175.510 0.002 0.000 1.545 462 N CA 0.021 53.068 53.050 -0.007 0.000 0.854 462 N CB 0.781 39.268 38.487 -0.001 0.000 1.612 462 N HN 0.783 nan 8.380 nan 0.000 0.577 463 A N -0.847 121.983 122.820 0.016 0.000 2.076 463 A HA 0.123 4.444 4.320 0.000 0.000 0.220 463 A C 1.568 179.170 177.584 0.031 0.000 1.160 463 A CA 1.794 53.850 52.037 0.031 0.000 0.653 463 A CB -1.383 17.649 19.000 0.054 0.000 0.801 463 A HN 0.834 nan 8.150 nan 0.000 0.455 464 G N -1.828 106.985 108.800 0.021 0.000 3.088 464 G HA2 0.480 4.440 3.960 0.000 0.000 0.217 464 G HA3 0.480 4.440 3.960 0.000 0.000 0.217 464 G C 0.648 175.553 174.900 0.007 0.000 1.159 464 G CA 0.651 45.762 45.100 0.019 0.000 0.760 464 G HN 1.533 nan 8.290 nan 0.000 0.550 465 G N -0.041 108.760 108.800 0.001 0.000 2.355 465 G HA2 0.294 4.254 3.960 0.000 0.000 0.619 465 G HA3 0.294 4.254 3.960 0.000 0.000 0.619 465 G C -1.134 173.754 174.900 -0.019 0.000 1.337 465 G CA -0.366 44.729 45.100 -0.009 0.000 0.993 465 G HN 0.826 nan 8.290 nan 0.000 0.599 466 N N -0.236 118.447 118.700 -0.028 0.000 2.577 466 N HA 0.811 5.551 4.740 0.000 0.000 0.285 466 N C -1.508 173.973 175.510 -0.048 0.000 1.309 466 N CA -0.805 52.220 53.050 -0.042 0.000 0.798 466 N CB 2.445 40.902 38.487 -0.049 0.000 1.463 466 N HN 0.677 nan 8.380 nan 0.000 0.518 467 D N -1.529 118.832 120.400 -0.065 0.000 2.837 467 D HA 0.490 5.130 4.640 0.000 0.000 0.220 467 D C -1.536 174.701 176.300 -0.106 0.000 1.236 467 D CA -0.253 53.704 54.000 -0.073 0.000 0.838 467 D CB 2.043 42.805 40.800 -0.064 0.000 1.647 467 D HN 0.675 nan 8.370 nan 0.000 0.486 468 S N 1.956 117.592 115.700 -0.105 0.000 2.566 468 S HA 0.836 5.306 4.470 0.000 0.000 0.298 468 S C -0.394 174.129 174.600 -0.130 0.000 1.083 468 S CA -0.896 57.220 58.200 -0.141 0.000 0.978 468 S CB 2.055 65.181 63.200 -0.124 0.000 1.073 468 S HN 0.504 nan 8.310 nan 0.000 0.491 469 M N 2.488 121.984 119.600 -0.173 0.000 2.284 469 M HA 0.430 4.910 4.480 0.000 0.000 0.281 469 M C -3.173 173.031 176.300 -0.160 0.000 1.083 469 M CA -1.592 53.629 55.300 -0.132 0.000 0.965 469 M CB 2.447 34.982 32.600 -0.109 0.000 1.717 469 M HN 0.551 nan 8.290 nan 0.000 0.479 470 P HA 0.611 nan 4.420 nan 0.000 0.281 470 P C -1.656 175.553 177.300 -0.152 0.000 1.249 470 P CA -0.344 62.664 63.100 -0.153 0.000 0.810 470 P CB 1.468 33.093 31.700 -0.126 0.000 1.008 471 A N 1.703 124.351 122.820 -0.286 0.000 2.539 471 A HA 0.686 5.006 4.320 0.000 0.000 0.296 471 A C -1.490 175.820 177.584 -0.457 0.000 1.073 471 A CA -0.565 51.301 52.037 -0.285 0.000 0.700 471 A CB 0.945 19.668 19.000 -0.462 0.000 1.296 471 A HN 0.667 nan 8.150 nan 0.000 0.405 472 H N 0.090 119.197 119.070 0.061 0.000 2.547 472 H HA 0.581 5.137 4.556 0.000 0.000 0.342 472 H C -0.978 174.451 175.328 0.168 0.000 1.048 472 H CA -0.409 55.680 56.048 0.068 0.000 1.204 472 H CB 1.730 31.507 29.762 0.025 0.000 1.493 472 H HN 0.536 nan 8.280 nan 0.000 0.511 473 L N 4.316 125.673 121.223 0.224 0.000 2.296 473 L HA 0.334 4.674 4.340 0.000 0.000 0.286 473 L C -0.905 175.838 176.870 -0.213 0.000 1.023 473 L CA -0.275 54.664 54.840 0.165 0.000 0.812 473 L CB 0.402 42.682 42.059 0.367 0.000 1.223 473 L HN 0.704 nan 8.230 nan 0.000 0.421 474 H N 5.002 123.955 119.070 -0.195 0.000 2.551 474 H HA 0.443 4.999 4.556 0.000 0.000 0.321 474 H C -0.862 174.394 175.328 -0.121 0.000 1.028 474 H CA -0.594 55.277 56.048 -0.294 0.000 1.215 474 H CB 2.115 31.331 29.762 -0.910 0.000 1.414 474 H HN 0.482 nan 8.280 nan 0.000 0.480 475 V N 5.212 125.168 119.914 0.070 0.000 2.459 475 V HA 0.474 4.594 4.120 0.000 0.000 0.295 475 V C -0.411 175.749 176.094 0.110 0.000 1.029 475 V CA -0.543 61.812 62.300 0.092 0.000 0.874 475 V CB 1.417 33.288 31.823 0.080 0.000 0.985 475 V HN 0.755 nan 8.190 nan 0.000 0.438 476 R N 0.000 120.571 120.500 0.118 0.000 2.786 476 R HA 0.000 4.340 4.340 0.000 0.000 0.208 476 R CA 0.000 56.166 56.100 0.109 0.000 0.921 476 R CB 0.000 30.370 30.300 0.116 0.000 0.687 476 R HN 0.000 nan 8.270 nan 0.000 0.535