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 1t5d_1_X DATA FIRST_RESID 1 DATA SEQUENCE MQTVNEMLRR AATRAPDHCA LAVPARGLRL THAELRARVE AVAARLHADG DATA SEQUENCE LRPQQRVAVV APNSADVVIA ILALHRLGAV PALLNPRLKS AELAELIKRG DATA SEQUENCE EMTAAVIAVG RQVADAIFQS GSGARIIFLG DLVRDGEPYS YGPPIEDPQR DATA SEQUENCE EPAQPAFIFY TSXXTGLPKA AIIPQRAAES RVLFMSTQVG LRHGRHNVVL DATA SEQUENCE GLMPLYHVVG FFAVLVAALA LDGTYVVVEE FRPVDALQLV QQEQVTSLFA DATA SEQUENCE TPTHLDALAA AAAHAGSSLK LDSLRHVTFA GATMPDAVLE TVHQHLPGEK DATA SEQUENCE VNIYGTTEAM NSLYMRQPKT GTEMAPGFFS EVRIVRIGGG VDEIVANGEE DATA SEQUENCE GELIVAASDS AFVGYLNQPQ ATAEKLQDGW YRTSDVAVWT PEGTVRILGR DATA SEQUENCE VDDMIISGGE NIHPSEIERV LGTAPGVTEV VVIGLADQRW GQSVTACVVP DATA SEQUENCE RLGETLSADA LDTFCRSSEL ADFKRPKRYF ILDQLPKNAL NKVLRRQLVQ DATA SEQUENCE QVSS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.333 176.300 0.055 0.000 1.140 1 M CA 0.000 55.327 55.300 0.045 0.000 0.988 1 M CB 0.000 32.626 32.600 0.043 0.000 1.302 2 Q N 2.095 121.935 119.800 0.067 0.000 2.320 2 Q HA 0.492 4.832 4.340 -0.000 0.000 0.268 2 Q C -0.783 175.286 176.000 0.115 0.000 1.023 2 Q CA -0.609 55.243 55.803 0.082 0.000 0.744 2 Q CB 2.509 31.292 28.738 0.074 0.000 1.246 2 Q HN 0.848 nan 8.270 nan 0.000 0.462 3 T N -2.058 112.586 114.554 0.150 0.000 2.726 3 T HA 0.144 4.494 4.350 -0.000 0.000 0.294 3 T C 1.515 176.378 174.700 0.271 0.000 1.013 3 T CA -0.709 61.534 62.100 0.239 0.000 0.996 3 T CB 0.664 69.705 68.868 0.288 0.000 1.016 3 T HN 0.277 nan 8.240 nan 0.000 0.529 4 V N 1.594 121.726 119.914 0.363 0.000 2.252 4 V HA -0.241 3.879 4.120 -0.000 0.000 0.249 4 V C 2.854 179.143 176.094 0.324 0.000 1.056 4 V CA 2.602 65.074 62.300 0.288 0.000 1.022 4 V CB -1.434 30.522 31.823 0.222 0.000 0.641 4 V HN 1.004 nan 8.190 nan 0.000 0.445 5 N N -0.016 119.008 118.700 0.540 0.000 2.036 5 N HA -0.251 4.489 4.740 -0.000 0.000 0.195 5 N C 1.816 177.429 175.510 0.173 0.000 1.037 5 N CA 1.884 55.123 53.050 0.315 0.000 0.855 5 N CB -0.232 38.327 38.487 0.120 0.000 1.033 5 N HN 0.486 nan 8.380 nan 0.000 0.423 6 E N 0.012 120.305 120.200 0.156 0.000 2.118 6 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 6 E C 1.956 178.613 176.600 0.095 0.000 0.992 6 E CA 1.317 57.779 56.400 0.103 0.000 0.804 6 E CB -0.192 29.563 29.700 0.091 0.000 0.741 6 E HN 0.478 nan 8.360 nan 0.000 0.458 7 M N -0.564 119.102 119.600 0.109 0.000 2.132 7 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 7 M C 2.040 178.391 176.300 0.085 0.000 1.065 7 M CA 1.150 56.502 55.300 0.086 0.000 1.122 7 M CB -0.139 32.508 32.600 0.079 0.000 1.365 7 M HN 0.178 nan 8.290 nan 0.000 0.411 8 L N -1.074 120.208 121.223 0.097 0.000 2.109 8 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 8 L C 2.625 179.561 176.870 0.109 0.000 1.086 8 L CA 1.056 55.959 54.840 0.105 0.000 0.760 8 L CB -0.805 41.311 42.059 0.095 0.000 0.910 8 L HN 0.337 nan 8.230 nan 0.000 0.437 9 R N 0.721 121.276 120.500 0.092 0.000 2.073 9 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 9 R C 2.509 178.846 176.300 0.062 0.000 1.134 9 R CA 1.471 57.615 56.100 0.073 0.000 0.952 9 R CB -0.051 30.284 30.300 0.058 0.000 0.850 9 R HN 0.286 nan 8.270 nan 0.000 0.433 10 R N -0.104 120.429 120.500 0.056 0.000 2.073 10 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 10 R C 2.391 178.711 176.300 0.033 0.000 1.134 10 R CA 1.346 57.470 56.100 0.039 0.000 0.952 10 R CB -0.437 29.884 30.300 0.034 0.000 0.850 10 R HN 0.265 nan 8.270 nan 0.000 0.433 11 A N 1.498 124.348 122.820 0.049 0.000 1.892 11 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 11 A C 2.393 179.954 177.584 -0.039 0.000 1.188 11 A CA 2.029 54.074 52.037 0.013 0.000 0.631 11 A CB -0.770 18.281 19.000 0.086 0.000 0.822 11 A HN 0.436 nan 8.150 nan 0.000 0.447 12 A N -0.630 122.229 122.820 0.064 0.000 2.015 12 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 12 A C 2.369 179.973 177.584 0.033 0.000 1.163 12 A CA 2.344 54.430 52.037 0.082 0.000 0.646 12 A CB -1.264 17.811 19.000 0.125 0.000 0.806 12 A HN 0.860 nan 8.150 nan 0.000 0.448 13 T N -2.961 111.606 114.554 0.022 0.000 2.995 13 T HA -0.033 4.317 4.350 -0.000 0.000 0.269 13 T C 1.880 176.579 174.700 -0.002 0.000 1.091 13 T CA 1.158 63.266 62.100 0.013 0.000 1.128 13 T CB -0.214 68.662 68.868 0.013 0.000 0.891 13 T HN 0.510 nan 8.240 nan 0.000 0.492 14 R N 0.896 121.384 120.500 -0.019 0.000 2.128 14 R HA 0.434 4.774 4.340 -0.000 0.000 0.211 14 R C 1.190 177.462 176.300 -0.046 0.000 1.067 14 R CA 0.848 56.934 56.100 -0.023 0.000 1.010 14 R CB 0.235 30.532 30.300 -0.005 0.000 0.922 14 R HN 0.411 nan 8.270 nan 0.000 0.457 15 A N 1.299 124.057 122.820 -0.103 0.000 3.253 15 A HA 0.284 4.604 4.320 -0.000 0.000 0.290 15 A C -2.100 175.464 177.584 -0.033 0.000 0.950 15 A CA -1.084 50.886 52.037 -0.112 0.000 0.986 15 A CB 0.576 19.425 19.000 -0.252 0.000 1.104 15 A HN -0.026 nan 8.150 nan 0.000 0.481 16 P HA -0.126 nan 4.420 nan 0.000 0.217 16 P C 0.075 177.443 177.300 0.113 0.000 1.150 16 P CA 1.310 64.458 63.100 0.081 0.000 0.832 16 P CB 0.278 32.010 31.700 0.053 0.000 0.787 17 D N -2.220 118.240 120.400 0.101 0.000 2.342 17 D HA 0.034 4.674 4.640 -0.000 0.000 0.221 17 D C 0.399 176.785 176.300 0.142 0.000 1.101 17 D CA 0.128 54.189 54.000 0.101 0.000 0.837 17 D CB -0.634 40.208 40.800 0.070 0.000 0.938 17 D HN 0.309 nan 8.370 nan 0.000 0.508 18 H N 0.129 119.250 119.070 0.085 0.000 2.487 18 H HA 0.218 4.774 4.556 -0.000 0.000 0.333 18 H C -0.357 175.085 175.328 0.190 0.000 1.114 18 H CA -0.742 55.370 56.048 0.106 0.000 1.310 18 H CB 0.988 30.785 29.762 0.058 0.000 1.462 18 H HN -0.098 nan 8.280 nan 0.000 0.516 19 C N 4.695 123.715 119.300 -0.466 0.000 2.638 19 C HA 0.384 4.844 4.460 -0.000 0.000 0.410 19 C C 1.507 176.388 174.990 -0.181 0.000 1.404 19 C CA 0.448 59.295 59.018 -0.285 0.000 1.651 19 C CB -1.949 25.612 27.740 -0.299 0.000 2.495 19 C HN 0.908 nan 8.230 nan 0.000 0.606 20 A N 4.847 127.562 122.820 -0.175 0.000 1.942 20 A HA 0.412 4.731 4.320 -0.000 0.000 0.209 20 A C 0.180 177.675 177.584 -0.148 0.000 1.214 20 A CA 0.487 52.306 52.037 -0.362 0.000 0.686 20 A CB -0.056 18.528 19.000 -0.694 0.000 0.871 20 A HN 0.671 nan 8.150 nan 0.000 0.460 21 L N -0.282 120.890 121.223 -0.085 0.000 2.406 21 L HA 0.738 5.077 4.340 -0.000 0.000 0.272 21 L C -0.572 176.293 176.870 -0.008 0.000 0.980 21 L CA -0.427 54.416 54.840 0.006 0.000 0.831 21 L CB 1.467 43.533 42.059 0.012 0.000 1.253 21 L HN 0.268 nan 8.230 nan 0.000 0.406 22 A N 4.263 127.078 122.820 -0.007 0.000 2.343 22 A HA 0.810 5.130 4.320 -0.000 0.000 0.316 22 A C -1.255 176.314 177.584 -0.026 0.000 1.104 22 A CA -0.505 51.515 52.037 -0.028 0.000 0.768 22 A CB 1.605 20.576 19.000 -0.049 0.000 1.213 22 A HN 0.410 nan 8.150 nan 0.000 0.456 23 V N 4.394 124.299 119.914 -0.015 0.000 2.266 23 V HA 0.230 4.350 4.120 -0.000 0.000 0.266 23 V C -2.036 174.048 176.094 -0.018 0.000 1.036 23 V CA -1.027 61.264 62.300 -0.014 0.000 0.828 23 V CB 0.844 32.671 31.823 0.006 0.000 1.081 23 V HN 0.726 nan 8.190 nan 0.000 0.449 24 P HA -0.201 nan 4.420 nan 0.000 0.215 24 P C 1.831 179.119 177.300 -0.020 0.000 1.157 24 P CA 2.063 65.148 63.100 -0.025 0.000 0.874 24 P CB 0.334 32.015 31.700 -0.032 0.000 0.790 25 A N -0.160 122.648 122.820 -0.021 0.000 1.917 25 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 25 A C 2.182 179.759 177.584 -0.011 0.000 1.182 25 A CA 1.712 53.739 52.037 -0.017 0.000 0.633 25 A CB -1.108 17.881 19.000 -0.018 0.000 0.819 25 A HN 0.119 nan 8.150 nan 0.000 0.448 26 R N -1.601 118.895 120.500 -0.007 0.000 2.310 26 R HA 0.188 4.528 4.340 -0.000 0.000 0.202 26 R C 1.208 177.507 176.300 -0.002 0.000 0.933 26 R CA 0.493 56.592 56.100 -0.001 0.000 1.054 26 R CB -0.130 30.172 30.300 0.005 0.000 0.985 26 R HN 0.693 nan 8.270 nan 0.000 0.489 27 G N 1.772 110.568 108.800 -0.006 0.000 2.225 27 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.267 27 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.267 27 G C -0.316 174.581 174.900 -0.004 0.000 1.024 27 G CA 0.233 45.330 45.100 -0.006 0.000 0.784 27 G HN 0.237 nan 8.290 nan 0.000 0.507 28 L N 0.518 121.739 121.223 -0.004 0.000 2.287 28 L HA 0.818 5.157 4.340 -0.000 0.000 0.287 28 L C 0.201 177.067 176.870 -0.007 0.000 1.022 28 L CA -0.964 53.876 54.840 -0.001 0.000 0.814 28 L CB 0.801 42.865 42.059 0.007 0.000 1.217 28 L HN 0.236 nan 8.230 nan 0.000 0.420 29 R N 6.484 126.978 120.500 -0.010 0.000 2.538 29 R HA 0.625 4.965 4.340 -0.000 0.000 0.292 29 R C -1.667 174.622 176.300 -0.019 0.000 1.008 29 R CA -0.807 55.281 56.100 -0.020 0.000 0.896 29 R CB 1.682 31.965 30.300 -0.028 0.000 1.187 29 R HN 0.565 nan 8.270 nan 0.000 0.440 30 L N 2.129 123.336 121.223 -0.027 0.000 2.362 30 L HA 0.425 4.765 4.340 -0.000 0.000 0.275 30 L C 0.877 177.723 176.870 -0.039 0.000 0.998 30 L CA -0.935 53.891 54.840 -0.024 0.000 0.820 30 L CB 2.233 44.281 42.059 -0.018 0.000 1.270 30 L HN 0.719 nan 8.230 nan 0.000 0.415 31 T N -3.184 111.364 114.554 -0.010 0.000 2.701 31 T HA 0.071 4.421 4.350 -0.000 0.000 0.303 31 T C 1.231 175.953 174.700 0.035 0.000 1.030 31 T CA -0.155 61.962 62.100 0.028 0.000 1.010 31 T CB 0.567 69.474 68.868 0.065 0.000 1.007 31 T HN 0.525 nan 8.240 nan 0.000 0.532 32 H N 0.627 119.714 119.070 0.029 0.000 2.352 32 H HA -0.094 4.462 4.556 -0.000 0.000 0.299 32 H C 2.536 177.883 175.328 0.031 0.000 1.097 32 H CA 1.749 57.819 56.048 0.037 0.000 1.311 32 H CB -0.435 29.362 29.762 0.057 0.000 1.377 32 H HN 0.800 nan 8.280 nan 0.000 0.504 33 A N 1.152 124.062 122.820 0.150 0.000 1.898 33 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 33 A C 2.264 179.880 177.584 0.053 0.000 1.181 33 A CA 1.410 53.499 52.037 0.087 0.000 0.620 33 A CB -0.310 18.732 19.000 0.071 0.000 0.819 33 A HN 0.430 nan 8.150 nan 0.000 0.442 34 E N -0.689 119.537 120.200 0.043 0.000 2.077 34 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 34 E C 1.945 178.554 176.600 0.016 0.000 0.989 34 E CA 1.234 57.648 56.400 0.024 0.000 0.800 34 E CB -0.257 29.453 29.700 0.017 0.000 0.746 34 E HN 0.502 nan 8.360 nan 0.000 0.452 35 L N 1.174 122.401 121.223 0.006 0.000 2.017 35 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 35 L C 2.071 178.948 176.870 0.012 0.000 1.073 35 L CA 1.730 56.567 54.840 -0.006 0.000 0.745 35 L CB -0.231 41.799 42.059 -0.048 0.000 0.894 35 L HN -0.085 nan 8.230 nan 0.000 0.432 36 R N 0.215 120.731 120.500 0.028 0.000 2.091 36 R HA -0.040 4.299 4.340 -0.000 0.000 0.238 36 R C 2.259 178.575 176.300 0.026 0.000 1.136 36 R CA 1.421 57.543 56.100 0.037 0.000 0.959 36 R CB -1.534 28.798 30.300 0.053 0.000 0.856 36 R HN 0.567 nan 8.270 nan 0.000 0.437 37 A N 0.784 123.617 122.820 0.023 0.000 1.933 37 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 37 A C 2.237 179.827 177.584 0.009 0.000 1.175 37 A CA 1.437 53.482 52.037 0.014 0.000 0.628 37 A CB -0.328 18.680 19.000 0.013 0.000 0.814 37 A HN 0.246 nan 8.150 nan 0.000 0.444 38 R N -0.843 119.664 120.500 0.012 0.000 2.092 38 R HA -0.036 4.304 4.340 -0.000 0.000 0.231 38 R C 1.987 178.295 176.300 0.014 0.000 1.119 38 R CA 1.258 57.365 56.100 0.012 0.000 0.970 38 R CB -0.507 29.802 30.300 0.015 0.000 0.864 38 R HN 0.360 nan 8.270 nan 0.000 0.440 39 V N 1.431 121.357 119.914 0.020 0.000 2.295 39 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 39 V C 2.187 178.291 176.094 0.016 0.000 1.049 39 V CA 1.759 64.075 62.300 0.027 0.000 1.024 39 V CB -0.359 31.488 31.823 0.041 0.000 0.648 39 V HN 0.309 nan 8.190 nan 0.000 0.447 40 E N 0.215 120.420 120.200 0.009 0.000 2.077 40 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 40 E C 2.331 178.921 176.600 -0.017 0.000 0.989 40 E CA 1.529 57.926 56.400 -0.005 0.000 0.800 40 E CB -0.381 29.316 29.700 -0.005 0.000 0.746 40 E HN 0.593 nan 8.360 nan 0.000 0.452 41 A N 1.073 123.883 122.820 -0.017 0.000 1.898 41 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 41 A C 2.605 180.160 177.584 -0.048 0.000 1.181 41 A CA 1.256 53.272 52.037 -0.035 0.000 0.620 41 A CB -0.595 18.387 19.000 -0.029 0.000 0.819 41 A HN 0.120 nan 8.150 nan 0.000 0.442 42 V N -0.030 119.870 119.914 -0.025 0.000 2.358 42 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 42 V C 3.046 179.126 176.094 -0.024 0.000 1.047 42 V CA 1.790 64.076 62.300 -0.023 0.000 1.035 42 V CB -1.322 30.505 31.823 0.006 0.000 0.658 42 V HN 0.605 nan 8.190 nan 0.000 0.452 43 A N 0.317 123.132 122.820 -0.008 0.000 1.883 43 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 43 A C 2.439 180.026 177.584 0.005 0.000 1.186 43 A CA 2.384 54.423 52.037 0.003 0.000 0.624 43 A CB -0.892 18.109 19.000 0.001 0.000 0.822 43 A HN 0.586 nan 8.150 nan 0.000 0.444 44 A N -0.760 122.045 122.820 -0.025 0.000 1.933 44 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 44 A C 2.284 179.846 177.584 -0.037 0.000 1.175 44 A CA 1.664 53.684 52.037 -0.028 0.000 0.628 44 A CB -0.499 18.471 19.000 -0.049 0.000 0.814 44 A HN 0.456 nan 8.150 nan 0.000 0.444 45 R N 0.064 120.483 120.500 -0.135 0.000 2.075 45 R HA -0.033 4.307 4.340 -0.000 0.000 0.232 45 R C 1.909 178.113 176.300 -0.160 0.000 1.126 45 R CA 1.573 57.481 56.100 -0.319 0.000 0.963 45 R CB -0.619 29.418 30.300 -0.438 0.000 0.858 45 R HN 0.555 nan 8.270 nan 0.000 0.435 46 L N -0.221 120.967 121.223 -0.058 0.000 2.093 46 L HA -0.171 4.168 4.340 -0.000 0.000 0.208 46 L C 2.862 179.750 176.870 0.029 0.000 1.085 46 L CA 1.284 56.118 54.840 -0.009 0.000 0.755 46 L CB -0.735 41.325 42.059 0.002 0.000 0.904 46 L HN 0.345 nan 8.230 nan 0.000 0.435 47 H N 0.443 119.496 119.070 -0.028 0.000 2.326 47 H HA -0.125 4.431 4.556 -0.000 0.000 0.301 47 H C 2.119 177.457 175.328 0.018 0.000 1.081 47 H CA 1.615 57.658 56.048 -0.008 0.000 1.334 47 H CB 0.340 30.094 29.762 -0.013 0.000 1.385 47 H HN 0.314 nan 8.280 nan 0.000 0.504 48 A N 0.652 123.581 122.820 0.182 0.000 2.019 48 A HA -0.146 4.173 4.320 -0.000 0.000 0.219 48 A C 1.861 179.538 177.584 0.156 0.000 1.164 48 A CA 1.687 53.838 52.037 0.191 0.000 0.644 48 A CB -0.225 18.926 19.000 0.253 0.000 0.805 48 A HN 0.391 nan 8.150 nan 0.000 0.449 49 D N -1.603 118.868 120.400 0.118 0.000 2.363 49 D HA 0.240 4.880 4.640 -0.000 0.000 0.220 49 D C 1.417 177.729 176.300 0.021 0.000 0.994 49 D CA 1.277 55.338 54.000 0.101 0.000 0.890 49 D CB 0.224 41.082 40.800 0.097 0.000 0.906 49 D HN 0.601 nan 8.370 nan 0.000 0.530 50 G N -0.133 108.639 108.800 -0.047 0.000 2.229 50 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.189 50 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.189 50 G C 0.058 174.870 174.900 -0.147 0.000 1.000 50 G CA -0.226 44.814 45.100 -0.099 0.000 0.663 50 G HN 0.247 nan 8.290 nan 0.000 0.493 51 L N 2.088 123.231 121.223 -0.132 0.000 2.453 51 L HA 0.699 5.038 4.340 -0.000 0.000 0.272 51 L C 0.483 177.250 176.870 -0.172 0.000 1.182 51 L CA -0.080 54.693 54.840 -0.112 0.000 0.858 51 L CB 0.395 42.419 42.059 -0.057 0.000 1.120 51 L HN 0.223 nan 8.230 nan 0.000 0.474 52 R N 4.135 124.568 120.500 -0.111 0.000 2.854 52 R HA 0.543 4.882 4.340 -0.000 0.000 0.271 52 R C -2.542 173.741 176.300 -0.028 0.000 0.994 52 R CA -2.420 53.628 56.100 -0.087 0.000 0.945 52 R CB 0.992 31.237 30.300 -0.091 0.000 1.194 52 R HN 0.340 nan 8.270 nan 0.000 0.476 53 P HA -0.031 nan 4.420 nan 0.000 0.265 53 P C -0.124 177.161 177.300 -0.024 0.000 1.187 53 P CA 0.544 63.638 63.100 -0.011 0.000 0.766 53 P CB 0.481 32.180 31.700 -0.001 0.000 0.820 54 Q N -1.525 118.254 119.800 -0.035 0.000 2.305 54 Q HA -0.238 4.101 4.340 -0.000 0.000 0.203 54 Q C -0.297 175.683 176.000 -0.034 0.000 0.663 54 Q CA 1.341 57.123 55.803 -0.036 0.000 1.389 54 Q CB -1.769 26.952 28.738 -0.028 0.000 1.566 54 Q HN 0.695 nan 8.270 nan 0.000 0.755 55 Q N 0.650 120.429 119.800 -0.034 0.000 2.314 55 Q HA 0.331 4.670 4.340 -0.000 0.000 0.258 55 Q C -0.011 175.968 176.000 -0.035 0.000 0.954 55 Q CA -0.080 55.704 55.803 -0.033 0.000 0.890 55 Q CB 0.747 29.464 28.738 -0.035 0.000 1.210 55 Q HN 0.088 nan 8.270 nan 0.000 0.410 56 R N 1.098 121.581 120.500 -0.028 0.000 2.308 56 R HA 0.381 4.720 4.340 -0.000 0.000 0.305 56 R C -0.866 175.418 176.300 -0.026 0.000 1.053 56 R CA -0.306 55.778 56.100 -0.026 0.000 0.957 56 R CB 0.898 31.192 30.300 -0.010 0.000 1.022 56 R HN 0.301 nan 8.270 nan 0.000 0.461 57 V N 2.621 122.516 119.914 -0.031 0.000 2.483 57 V HA 0.399 4.519 4.120 -0.000 0.000 0.297 57 V C -0.009 176.063 176.094 -0.036 0.000 1.027 57 V CA -0.997 61.282 62.300 -0.034 0.000 0.855 57 V CB 1.683 33.485 31.823 -0.035 0.000 0.995 57 V HN 0.943 nan 8.190 nan 0.000 0.424 58 A N 4.656 127.452 122.820 -0.040 0.000 2.371 58 A HA 0.704 5.024 4.320 -0.000 0.000 0.257 58 A C -0.333 177.212 177.584 -0.065 0.000 1.089 58 A CA -0.219 51.788 52.037 -0.051 0.000 0.794 58 A CB 0.681 19.641 19.000 -0.066 0.000 1.029 58 A HN 0.797 nan 8.150 nan 0.000 0.488 59 V N 2.937 122.805 119.914 -0.076 0.000 2.407 59 V HA 0.380 4.499 4.120 -0.000 0.000 0.291 59 V C -0.562 175.483 176.094 -0.080 0.000 1.018 59 V CA -0.414 61.847 62.300 -0.066 0.000 0.842 59 V CB 1.468 33.256 31.823 -0.058 0.000 0.996 59 V HN 0.596 nan 8.190 nan 0.000 0.426 60 V N 4.309 124.180 119.914 -0.071 0.000 2.289 60 V HA 0.887 5.007 4.120 -0.000 0.000 0.272 60 V C 0.208 176.280 176.094 -0.036 0.000 1.026 60 V CA -0.084 62.164 62.300 -0.087 0.000 0.807 60 V CB 0.861 32.625 31.823 -0.099 0.000 1.044 60 V HN 1.035 nan 8.190 nan 0.000 0.443 61 A N 6.242 129.057 122.820 -0.007 0.000 2.605 61 A HA 0.965 5.285 4.320 -0.000 0.000 0.294 61 A C -3.190 174.466 177.584 0.119 0.000 1.062 61 A CA -1.167 50.899 52.037 0.048 0.000 0.682 61 A CB 2.046 21.082 19.000 0.060 0.000 1.278 61 A HN 0.448 nan 8.150 nan 0.000 0.410 62 P HA 0.284 nan 4.420 nan 0.000 0.276 62 P C -0.690 176.711 177.300 0.170 0.000 1.252 62 P CA -0.487 62.728 63.100 0.191 0.000 0.802 62 P CB 0.372 32.157 31.700 0.141 0.000 1.035 63 N N 0.211 119.015 118.700 0.173 0.000 2.357 63 N HA 0.239 4.979 4.740 -0.000 0.000 0.257 63 N C 0.198 175.784 175.510 0.127 0.000 1.250 63 N CA 0.644 53.783 53.050 0.148 0.000 0.862 63 N CB -0.312 38.261 38.487 0.144 0.000 1.066 63 N HN 0.555 nan 8.380 nan 0.000 0.468 64 S N -0.645 115.132 115.700 0.128 0.000 2.597 64 S HA 0.569 5.039 4.470 -0.000 0.000 0.274 64 S C 0.411 175.077 174.600 0.111 0.000 1.132 64 S CA -0.362 57.901 58.200 0.105 0.000 0.835 64 S CB 0.527 63.776 63.200 0.083 0.000 1.092 64 S HN 0.430 nan 8.310 nan 0.000 0.457 65 A N 1.191 124.068 122.820 0.096 0.000 1.978 65 A HA -0.036 4.284 4.320 -0.000 0.000 0.220 65 A C 1.596 179.219 177.584 0.065 0.000 1.170 65 A CA 2.084 54.173 52.037 0.085 0.000 0.636 65 A CB -1.036 18.003 19.000 0.065 0.000 0.810 65 A HN 0.844 nan 8.150 nan 0.000 0.448 66 D N -0.719 119.718 120.400 0.062 0.000 2.144 66 D HA -0.090 4.549 4.640 -0.000 0.000 0.200 66 D C 1.980 178.314 176.300 0.057 0.000 0.978 66 D CA 1.309 55.342 54.000 0.055 0.000 0.833 66 D CB -0.453 40.380 40.800 0.054 0.000 0.961 66 D HN 0.220 nan 8.370 nan 0.000 0.470 67 V N 0.503 120.457 119.914 0.065 0.000 2.453 67 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 67 V C 2.382 178.514 176.094 0.063 0.000 1.048 67 V CA 1.010 63.349 62.300 0.065 0.000 1.049 67 V CB -0.092 31.778 31.823 0.078 0.000 0.672 67 V HN -0.022 nan 8.190 nan 0.000 0.457 68 V N 0.307 120.257 119.914 0.059 0.000 2.287 68 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 68 V C 2.262 178.383 176.094 0.046 0.000 1.053 68 V CA 2.749 65.071 62.300 0.036 0.000 1.027 68 V CB -0.525 31.290 31.823 -0.013 0.000 0.646 68 V HN 0.518 nan 8.190 nan 0.000 0.447 69 I N 0.199 120.795 120.570 0.043 0.000 2.226 69 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 69 I C 2.629 178.779 176.117 0.055 0.000 1.100 69 I CA 1.466 62.792 61.300 0.044 0.000 1.374 69 I CB -0.576 37.446 38.000 0.037 0.000 1.057 69 I HN 0.294 nan 8.210 nan 0.000 0.413 70 A N 0.931 123.783 122.820 0.054 0.000 1.902 70 A HA -0.162 4.157 4.320 -0.000 0.000 0.217 70 A C 2.296 179.918 177.584 0.064 0.000 1.181 70 A CA 1.477 53.544 52.037 0.050 0.000 0.623 70 A CB -0.766 18.258 19.000 0.041 0.000 0.818 70 A HN 0.361 nan 8.150 nan 0.000 0.443 71 I N -0.309 120.308 120.570 0.079 0.000 2.179 71 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 71 I C 2.297 178.531 176.117 0.195 0.000 1.088 71 I CA 1.157 62.519 61.300 0.104 0.000 1.357 71 I CB -0.270 37.781 38.000 0.084 0.000 1.051 71 I HN 0.278 nan 8.210 nan 0.000 0.409 72 L N 0.240 121.584 121.223 0.201 0.000 2.201 72 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 72 L C 2.759 179.742 176.870 0.189 0.000 1.105 72 L CA 1.001 55.987 54.840 0.243 0.000 0.775 72 L CB -0.715 41.441 42.059 0.162 0.000 0.913 72 L HN 0.245 nan 8.230 nan 0.000 0.440 73 A N 0.353 123.243 122.820 0.118 0.000 1.873 73 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 73 A C 2.252 179.876 177.584 0.067 0.000 1.186 73 A CA 1.118 53.200 52.037 0.073 0.000 0.616 73 A CB -0.588 18.440 19.000 0.046 0.000 0.823 73 A HN 0.303 nan 8.150 nan 0.000 0.442 74 L N -1.348 119.920 121.223 0.076 0.000 2.012 74 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 74 L C 2.710 179.616 176.870 0.061 0.000 1.073 74 L CA 2.007 56.879 54.840 0.053 0.000 0.748 74 L CB -0.700 41.383 42.059 0.040 0.000 0.891 74 L HN 0.645 nan 8.230 nan 0.000 0.431 75 H N 0.107 119.187 119.070 0.018 0.000 2.353 75 H HA -0.206 4.350 4.556 -0.000 0.000 0.300 75 H C 2.273 177.610 175.328 0.016 0.000 1.090 75 H CA 1.903 57.944 56.048 -0.012 0.000 1.327 75 H CB 0.035 29.880 29.762 0.138 0.000 1.383 75 H HN 0.043 nan 8.280 nan 0.000 0.508 76 R N 0.670 121.149 120.500 -0.036 0.000 2.083 76 R HA -0.088 4.252 4.340 -0.000 0.000 0.237 76 R C 2.486 178.728 176.300 -0.096 0.000 1.137 76 R CA 1.811 57.855 56.100 -0.094 0.000 0.951 76 R CB -1.199 29.100 30.300 -0.002 0.000 0.851 76 R HN 0.547 nan 8.270 nan 0.000 0.434 77 L N -1.300 119.898 121.223 -0.041 0.000 2.131 77 L HA 0.033 4.372 4.340 -0.000 0.000 0.210 77 L C 1.074 177.925 176.870 -0.032 0.000 1.092 77 L CA 1.810 56.646 54.840 -0.008 0.000 0.759 77 L CB -0.213 41.871 42.059 0.041 0.000 0.903 77 L HN 0.631 nan 8.230 nan 0.000 0.435 78 G N -1.673 107.076 108.800 -0.084 0.000 2.192 78 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.193 78 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.193 78 G C 0.343 175.202 174.900 -0.069 0.000 0.999 78 G CA 0.004 45.043 45.100 -0.103 0.000 0.659 78 G HN 0.747 nan 8.290 nan 0.000 0.503 79 A N -0.271 122.520 122.820 -0.047 0.000 2.386 79 A HA 0.654 4.974 4.320 -0.000 0.000 0.246 79 A C 0.589 178.125 177.584 -0.080 0.000 1.089 79 A CA 0.488 52.496 52.037 -0.049 0.000 0.790 79 A CB 0.819 19.800 19.000 -0.032 0.000 1.042 79 A HN 1.126 nan 8.150 nan 0.000 0.497 80 V N 3.337 123.197 119.914 -0.089 0.000 2.304 80 V HA 0.262 4.381 4.120 -0.000 0.000 0.269 80 V C -2.316 173.714 176.094 -0.106 0.000 1.036 80 V CA -1.361 60.857 62.300 -0.137 0.000 0.840 80 V CB 0.772 32.534 31.823 -0.101 0.000 1.036 80 V HN 0.698 nan 8.190 nan 0.000 0.466 81 P HA 0.255 nan 4.420 nan 0.000 0.271 81 P C -0.484 176.761 177.300 -0.093 0.000 1.220 81 P CA 0.100 63.156 63.100 -0.075 0.000 0.768 81 P CB 0.777 32.459 31.700 -0.031 0.000 0.848 82 A N 5.199 127.980 122.820 -0.066 0.000 2.394 82 A HA 0.411 4.731 4.320 -0.000 0.000 0.333 82 A C -0.203 177.361 177.584 -0.034 0.000 1.397 82 A CA -0.661 51.373 52.037 -0.005 0.000 0.884 82 A CB -0.279 18.791 19.000 0.118 0.000 1.147 82 A HN 0.471 nan 8.150 nan 0.000 0.505 83 L N 3.247 124.353 121.223 -0.194 0.000 2.319 83 L HA 0.405 4.745 4.340 -0.000 0.000 0.280 83 L C -0.490 176.339 176.870 -0.069 0.000 1.099 83 L CA -0.024 54.690 54.840 -0.211 0.000 0.828 83 L CB 0.707 42.478 42.059 -0.481 0.000 1.150 83 L HN 0.555 nan 8.230 nan 0.000 0.442 84 L N 3.422 124.555 121.223 -0.150 0.000 2.365 84 L HA 0.373 4.713 4.340 -0.000 0.000 0.273 84 L C 0.191 176.770 176.870 -0.485 0.000 1.000 84 L CA -0.720 53.933 54.840 -0.312 0.000 0.819 84 L CB 2.014 43.842 42.059 -0.385 0.000 1.284 84 L HN 0.524 nan 8.230 nan 0.000 0.418 85 N N 4.767 123.067 118.700 -0.666 0.000 2.427 85 N HA 0.053 4.793 4.740 -0.000 0.000 0.269 85 N C -1.730 173.447 175.510 -0.554 0.000 1.235 85 N CA -1.367 51.048 53.050 -1.058 0.000 0.934 85 N CB 1.046 39.178 38.487 -0.591 0.000 1.121 85 N HN 0.324 nan 8.380 nan 0.000 0.480 86 P HA -0.009 nan 4.420 nan 0.000 0.237 86 P C 0.493 177.712 177.300 -0.134 0.000 1.178 86 P CA 0.706 63.678 63.100 -0.213 0.000 0.766 86 P CB 0.377 32.007 31.700 -0.118 0.000 0.876 87 R N -0.793 119.623 120.500 -0.139 0.000 2.275 87 R HA 0.178 4.518 4.340 -0.000 0.000 0.199 87 R C 1.147 177.408 176.300 -0.064 0.000 0.989 87 R CA -0.079 55.985 56.100 -0.060 0.000 1.016 87 R CB -0.362 29.932 30.300 -0.011 0.000 0.918 87 R HN 0.239 nan 8.270 nan 0.000 0.473 88 L N 1.705 122.865 121.223 -0.104 0.000 2.483 88 L HA 0.017 4.357 4.340 -0.000 0.000 0.275 88 L C 0.589 177.417 176.870 -0.070 0.000 1.220 88 L CA 0.099 54.886 54.840 -0.089 0.000 0.833 88 L CB 0.259 42.241 42.059 -0.127 0.000 1.102 88 L HN 0.010 nan 8.230 nan 0.000 0.490 89 K N 0.922 121.290 120.400 -0.053 0.000 2.485 89 K HA -0.015 4.305 4.320 -0.000 0.000 0.277 89 K C 1.154 177.726 176.600 -0.048 0.000 0.990 89 K CA -0.156 56.107 56.287 -0.040 0.000 0.994 89 K CB 0.763 33.245 32.500 -0.029 0.000 0.906 89 K HN 0.612 nan 8.250 nan 0.000 0.488 90 S N 2.058 117.737 115.700 -0.035 0.000 2.374 90 S HA -0.254 4.215 4.470 -0.000 0.000 0.227 90 S C 1.930 176.510 174.600 -0.034 0.000 1.037 90 S CA 1.553 59.734 58.200 -0.033 0.000 1.024 90 S CB -0.189 63.002 63.200 -0.014 0.000 0.861 90 S HN 0.783 nan 8.310 nan 0.000 0.456 91 A N 1.166 123.970 122.820 -0.026 0.000 1.930 91 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 91 A C 2.068 179.631 177.584 -0.035 0.000 1.175 91 A CA 1.576 53.598 52.037 -0.024 0.000 0.627 91 A CB -0.519 18.471 19.000 -0.016 0.000 0.815 91 A HN 0.581 nan 8.150 nan 0.000 0.443 92 E N -0.197 119.977 120.200 -0.044 0.000 2.106 92 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 92 E C 1.899 178.448 176.600 -0.085 0.000 0.984 92 E CA 0.817 57.183 56.400 -0.056 0.000 0.806 92 E CB -0.178 29.489 29.700 -0.056 0.000 0.750 92 E HN 0.637 nan 8.360 nan 0.000 0.458 93 L N 0.371 121.534 121.223 -0.100 0.000 2.042 93 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 93 L C 2.626 179.432 176.870 -0.107 0.000 1.076 93 L CA 1.247 56.006 54.840 -0.135 0.000 0.749 93 L CB -0.441 41.542 42.059 -0.127 0.000 0.893 93 L HN 0.201 nan 8.230 nan 0.000 0.432 94 A N -0.294 122.485 122.820 -0.069 0.000 1.930 94 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 94 A C 2.193 179.750 177.584 -0.044 0.000 1.175 94 A CA 1.734 53.742 52.037 -0.049 0.000 0.627 94 A CB -0.417 18.566 19.000 -0.029 0.000 0.815 94 A HN 0.388 nan 8.150 nan 0.000 0.443 95 E N 0.230 120.405 120.200 -0.042 0.000 2.110 95 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 95 E C 1.746 178.333 176.600 -0.021 0.000 0.988 95 E CA 1.181 57.563 56.400 -0.029 0.000 0.804 95 E CB -0.388 29.297 29.700 -0.025 0.000 0.745 95 E HN 0.605 nan 8.360 nan 0.000 0.458 96 L N -0.265 120.933 121.223 -0.042 0.000 2.109 96 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 96 L C 2.409 179.283 176.870 0.007 0.000 1.086 96 L CA 0.753 55.582 54.840 -0.018 0.000 0.760 96 L CB -0.282 41.695 42.059 -0.137 0.000 0.910 96 L HN 0.171 nan 8.230 nan 0.000 0.437 97 I N -0.185 120.362 120.570 -0.038 0.000 2.202 97 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 97 I C 2.723 178.837 176.117 -0.006 0.000 1.091 97 I CA 1.304 62.591 61.300 -0.022 0.000 1.368 97 I CB -0.260 37.710 38.000 -0.050 0.000 1.058 97 I HN 0.224 nan 8.210 nan 0.000 0.410 98 K N 1.147 121.538 120.400 -0.014 0.000 1.991 98 K HA -0.244 4.076 4.320 -0.000 0.000 0.212 98 K C 2.378 178.980 176.600 0.003 0.000 1.049 98 K CA 1.629 57.909 56.287 -0.012 0.000 0.932 98 K CB -0.173 32.314 32.500 -0.021 0.000 0.717 98 K HN 0.074 nan 8.250 nan 0.000 0.441 99 R N -0.544 119.965 120.500 0.014 0.000 2.119 99 R HA -0.147 4.192 4.340 -0.000 0.000 0.246 99 R C 2.158 178.483 176.300 0.042 0.000 1.146 99 R CA 1.817 57.935 56.100 0.030 0.000 0.962 99 R CB -0.504 29.825 30.300 0.047 0.000 0.863 99 R HN 0.462 nan 8.270 nan 0.000 0.442 100 G N -0.492 108.342 108.800 0.057 0.000 2.920 100 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.208 100 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.208 100 G C -0.498 174.422 174.900 0.033 0.000 1.159 100 G CA 0.000 45.139 45.100 0.064 0.000 0.784 100 G HN 0.442 nan 8.290 nan 0.000 0.535 101 E N 0.152 120.362 120.200 0.017 0.000 2.210 101 E HA -0.167 4.183 4.350 -0.000 0.000 0.201 101 E C 0.218 176.818 176.600 -0.000 0.000 1.339 101 E CA 0.101 56.503 56.400 0.003 0.000 0.699 101 E CB -1.084 28.617 29.700 0.002 0.000 1.126 101 E HN 0.415 nan 8.360 nan 0.000 0.355 102 M N -0.240 119.359 119.600 -0.002 0.000 2.250 102 M HA 0.116 4.596 4.480 -0.000 0.000 0.344 102 M C 1.639 177.928 176.300 -0.019 0.000 1.150 102 M CA 0.067 55.362 55.300 -0.009 0.000 1.147 102 M CB 0.703 33.297 32.600 -0.010 0.000 1.498 102 M HN -0.026 nan 8.290 nan 0.000 0.461 103 T N 1.072 115.612 114.554 -0.023 0.000 2.896 103 T HA 0.222 4.572 4.350 -0.000 0.000 0.263 103 T C 0.676 175.357 174.700 -0.031 0.000 1.050 103 T CA 1.075 63.158 62.100 -0.027 0.000 1.140 103 T CB 0.137 68.988 68.868 -0.030 0.000 0.877 103 T HN 0.812 nan 8.240 nan 0.000 0.457 104 A N -0.095 122.703 122.820 -0.037 0.000 2.609 104 A HA 0.830 5.150 4.320 -0.000 0.000 0.291 104 A C -1.772 175.776 177.584 -0.060 0.000 1.096 104 A CA -0.552 51.455 52.037 -0.050 0.000 0.684 104 A CB 1.115 20.086 19.000 -0.049 0.000 1.282 104 A HN 0.364 nan 8.150 nan 0.000 0.412 105 A N 0.298 123.067 122.820 -0.084 0.000 2.353 105 A HA 0.639 4.959 4.320 -0.000 0.000 0.299 105 A C -1.043 176.468 177.584 -0.122 0.000 1.089 105 A CA -0.406 51.574 52.037 -0.095 0.000 0.736 105 A CB 1.144 20.085 19.000 -0.099 0.000 1.195 105 A HN 1.412 nan 8.150 nan 0.000 0.447 106 V N 4.485 124.345 119.914 -0.090 0.000 2.385 106 V HA 0.445 4.565 4.120 -0.000 0.000 0.269 106 V C 0.060 176.116 176.094 -0.064 0.000 1.043 106 V CA 0.037 62.291 62.300 -0.077 0.000 0.906 106 V CB 0.156 31.957 31.823 -0.036 0.000 0.995 106 V HN 0.741 nan 8.190 nan 0.000 0.467 107 I N 2.064 122.593 120.570 -0.068 0.000 2.689 107 I HA 0.960 5.129 4.170 -0.000 0.000 0.299 107 I C 0.023 176.192 176.117 0.085 0.000 1.059 107 I CA -1.057 60.233 61.300 -0.017 0.000 1.055 107 I CB 2.209 40.176 38.000 -0.055 0.000 1.243 107 I HN 0.494 nan 8.210 nan 0.000 0.425 108 A N 5.326 128.193 122.820 0.078 0.000 2.320 108 A HA 0.569 4.889 4.320 -0.000 0.000 0.287 108 A C 0.355 178.010 177.584 0.118 0.000 1.181 108 A CA -0.433 51.664 52.037 0.100 0.000 0.831 108 A CB 0.540 19.581 19.000 0.067 0.000 1.102 108 A HN 0.665 nan 8.150 nan 0.000 0.513 109 V N 1.802 121.795 119.914 0.132 0.000 3.378 109 V HA 0.212 4.332 4.120 -0.000 0.000 0.289 109 V C 1.459 177.583 176.094 0.050 0.000 1.269 109 V CA 1.979 64.327 62.300 0.080 0.000 1.372 109 V CB 0.188 31.997 31.823 -0.023 0.000 1.017 109 V HN 2.254 nan 8.190 nan 0.000 0.518 110 G N 2.084 110.900 108.800 0.027 0.000 2.734 110 G HA2 0.070 4.030 3.960 -0.000 0.000 0.277 110 G HA3 0.070 4.030 3.960 -0.000 0.000 0.277 110 G C -0.093 174.842 174.900 0.059 0.000 1.099 110 G CA 0.235 45.352 45.100 0.028 0.000 1.218 110 G HN 1.558 nan 8.290 nan 0.000 0.554 111 R N 1.506 122.054 120.500 0.079 0.000 3.752 111 R HA 0.622 4.962 4.340 -0.000 0.000 0.291 111 R C 1.502 177.852 176.300 0.083 0.000 1.433 111 R CA 0.701 56.882 56.100 0.136 0.000 1.518 111 R CB 0.154 30.647 30.300 0.321 0.000 1.413 111 R HN 0.955 nan 8.270 nan 0.000 0.676 112 Q N -0.083 119.747 119.800 0.049 0.000 2.435 112 Q HA -0.022 4.318 4.340 -0.000 0.000 0.207 112 Q C 0.973 176.993 176.000 0.033 0.000 0.956 112 Q CA 1.519 57.343 55.803 0.034 0.000 0.917 112 Q CB -0.350 28.400 28.738 0.020 0.000 0.997 112 Q HN 0.357 nan 8.270 nan 0.000 0.497 113 V N 1.613 121.549 119.914 0.036 0.000 2.407 113 V HA -0.108 4.012 4.120 -0.000 0.000 0.245 113 V C 2.629 178.737 176.094 0.022 0.000 1.041 113 V CA 1.614 63.923 62.300 0.016 0.000 1.040 113 V CB -1.065 30.758 31.823 0.000 0.000 0.671 113 V HN 0.451 nan 8.190 nan 0.000 0.455 114 A N -0.250 122.599 122.820 0.048 0.000 1.902 114 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 114 A C 2.074 179.703 177.584 0.076 0.000 1.181 114 A CA 1.948 54.007 52.037 0.038 0.000 0.623 114 A CB -0.645 18.411 19.000 0.093 0.000 0.818 114 A HN 0.539 nan 8.150 nan 0.000 0.443 115 D N 0.038 120.485 120.400 0.078 0.000 2.106 115 D HA -0.158 4.482 4.640 -0.000 0.000 0.191 115 D C 2.323 178.696 176.300 0.121 0.000 0.997 115 D CA 1.687 55.743 54.000 0.093 0.000 0.834 115 D CB -0.284 40.552 40.800 0.061 0.000 0.956 115 D HN 0.409 nan 8.370 nan 0.000 0.448 116 A N 0.960 123.822 122.820 0.070 0.000 1.892 116 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 116 A C 2.370 179.983 177.584 0.047 0.000 1.188 116 A CA 1.256 53.321 52.037 0.047 0.000 0.631 116 A CB -0.816 18.193 19.000 0.015 0.000 0.822 116 A HN 0.207 nan 8.150 nan 0.000 0.447 117 I N -2.173 118.426 120.570 0.048 0.000 2.179 117 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 117 I C 2.289 178.447 176.117 0.067 0.000 1.088 117 I CA 1.571 62.890 61.300 0.033 0.000 1.357 117 I CB -0.370 37.636 38.000 0.010 0.000 1.051 117 I HN 0.436 nan 8.210 nan 0.000 0.409 118 F N 1.610 121.543 119.950 -0.027 0.000 2.025 118 F HA -0.322 4.205 4.527 -0.000 0.000 0.297 118 F C 2.512 178.303 175.800 -0.014 0.000 1.132 118 F CA 1.946 59.935 58.000 -0.018 0.000 1.191 118 F CB -0.451 38.544 39.000 -0.008 0.000 0.963 118 F HN 0.045 nan 8.300 nan 0.000 0.481 119 Q N -0.432 119.423 119.800 0.092 0.000 2.515 119 Q HA -0.081 4.259 4.340 -0.000 0.000 0.212 119 Q C 2.093 178.055 176.000 -0.064 0.000 0.970 119 Q CA 0.833 56.627 55.803 -0.016 0.000 0.941 119 Q CB -0.184 28.614 28.738 0.100 0.000 0.998 119 Q HN 0.544 nan 8.270 nan 0.000 0.518 120 S N -1.652 114.010 115.700 -0.064 0.000 2.470 120 S HA 0.087 4.557 4.470 -0.000 0.000 0.225 120 S C 1.518 176.060 174.600 -0.096 0.000 1.006 120 S CA 0.625 58.787 58.200 -0.063 0.000 0.934 120 S CB 0.351 63.526 63.200 -0.041 0.000 0.778 120 S HN 0.465 nan 8.310 nan 0.000 0.517 121 G N 0.785 109.491 108.800 -0.157 0.000 2.157 121 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.248 121 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.248 121 G C 0.967 175.796 174.900 -0.119 0.000 0.979 121 G CA 0.876 45.876 45.100 -0.166 0.000 0.650 121 G HN 0.782 nan 8.290 nan 0.000 0.529 122 S N 0.157 115.802 115.700 -0.092 0.000 2.374 122 S HA 0.172 4.641 4.470 -0.000 0.000 0.227 122 S C 2.530 177.099 174.600 -0.051 0.000 1.037 122 S CA 2.478 60.644 58.200 -0.058 0.000 1.024 122 S CB -0.633 62.542 63.200 -0.041 0.000 0.861 122 S HN 2.450 nan 8.310 nan 0.000 0.456 123 G N 0.361 109.128 108.800 -0.055 0.000 2.168 123 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.257 123 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.257 123 G C 0.120 175.008 174.900 -0.020 0.000 0.997 123 G CA 0.452 45.531 45.100 -0.034 0.000 0.708 123 G HN 1.260 nan 8.290 nan 0.000 0.520 124 A N 0.056 122.863 122.820 -0.021 0.000 2.404 124 A HA 0.666 4.986 4.320 -0.000 0.000 0.273 124 A C 0.822 178.392 177.584 -0.023 0.000 1.144 124 A CA 0.257 52.279 52.037 -0.025 0.000 0.806 124 A CB 0.238 19.218 19.000 -0.034 0.000 1.080 124 A HN 0.774 nan 8.150 nan 0.000 0.509 125 R N 2.787 123.270 120.500 -0.028 0.000 2.449 125 R HA 0.288 4.628 4.340 -0.000 0.000 0.296 125 R C -0.812 175.441 176.300 -0.079 0.000 1.047 125 R CA -0.099 55.982 56.100 -0.032 0.000 1.018 125 R CB 0.033 30.318 30.300 -0.025 0.000 0.962 125 R HN 0.635 nan 8.270 nan 0.000 0.428 126 I N 5.955 126.454 120.570 -0.118 0.000 2.441 126 I HA 0.155 4.325 4.170 -0.000 0.000 0.287 126 I C 0.018 175.946 176.117 -0.315 0.000 1.049 126 I CA 0.170 61.313 61.300 -0.262 0.000 1.381 126 I CB 1.068 38.851 38.000 -0.362 0.000 1.409 126 I HN 0.515 nan 8.210 nan 0.000 0.523 127 I N 6.710 127.074 120.570 -0.343 0.000 2.439 127 I HA 0.301 4.471 4.170 -0.000 0.000 0.285 127 I C -0.734 175.216 176.117 -0.279 0.000 1.021 127 I CA -0.430 60.729 61.300 -0.235 0.000 1.091 127 I CB 0.988 38.929 38.000 -0.098 0.000 1.242 127 I HN 0.298 nan 8.210 nan 0.000 0.439 128 F N 5.296 125.242 119.950 -0.005 0.000 2.412 128 F HA 0.108 4.635 4.527 -0.000 0.000 0.348 128 F C 1.149 176.947 175.800 -0.004 0.000 1.102 128 F CA -0.434 57.561 58.000 -0.009 0.000 1.196 128 F CB 0.918 39.909 39.000 -0.016 0.000 1.144 128 F HN 0.452 nan 8.300 nan 0.000 0.541 129 L N 3.742 125.074 121.223 0.181 0.000 2.012 129 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 129 L C 2.300 179.230 176.870 0.100 0.000 1.073 129 L CA 2.165 57.069 54.840 0.106 0.000 0.748 129 L CB -1.249 40.861 42.059 0.086 0.000 0.891 129 L HN 0.769 nan 8.230 nan 0.000 0.431 130 G N -1.582 107.282 108.800 0.105 0.000 2.527 130 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 130 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 130 G C 1.188 176.117 174.900 0.047 0.000 1.117 130 G CA 0.818 45.954 45.100 0.059 0.000 0.759 130 G HN 0.424 nan 8.290 nan 0.000 0.556 131 D N -0.212 120.237 120.400 0.082 0.000 2.305 131 D HA 0.087 4.727 4.640 -0.000 0.000 0.206 131 D C 2.549 178.878 176.300 0.049 0.000 0.974 131 D CA 0.162 54.188 54.000 0.044 0.000 0.871 131 D CB 0.273 41.130 40.800 0.095 0.000 0.947 131 D HN 0.323 nan 8.370 nan 0.000 0.516 132 L N -0.522 120.744 121.223 0.071 0.000 2.130 132 L HA 0.147 4.487 4.340 -0.000 0.000 0.200 132 L C 0.760 177.681 176.870 0.086 0.000 1.075 132 L CA 0.351 55.235 54.840 0.074 0.000 0.768 132 L CB 0.514 42.604 42.059 0.052 0.000 0.933 132 L HN -0.182 nan 8.230 nan 0.000 0.451 133 V N -0.033 119.924 119.914 0.072 0.000 2.891 133 V HA 0.438 4.558 4.120 -0.000 0.000 0.304 133 V C -1.546 174.583 176.094 0.057 0.000 1.171 133 V CA -0.493 61.847 62.300 0.067 0.000 0.943 133 V CB 2.296 34.151 31.823 0.053 0.000 1.037 133 V HN 0.211 nan 8.190 nan 0.000 0.427 134 R N 4.466 124.999 120.500 0.055 0.000 2.451 134 R HA 0.499 4.839 4.340 -0.000 0.000 0.307 134 R C -0.873 175.450 176.300 0.039 0.000 0.965 134 R CA -0.641 55.485 56.100 0.043 0.000 0.865 134 R CB 1.269 31.592 30.300 0.039 0.000 1.174 134 R HN 0.825 nan 8.270 nan 0.000 0.455 135 D N 2.390 122.811 120.400 0.035 0.000 2.686 135 D HA -0.200 4.440 4.640 -0.000 0.000 0.235 135 D C 1.042 177.360 176.300 0.030 0.000 1.160 135 D CA 2.059 56.077 54.000 0.030 0.000 0.645 135 D CB -0.821 39.993 40.800 0.024 0.000 1.039 135 D HN 1.082 nan 8.370 nan 0.000 0.423 136 G N -0.832 107.988 108.800 0.033 0.000 2.253 136 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.251 136 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.251 136 G C 0.031 174.950 174.900 0.032 0.000 0.998 136 G CA 0.295 45.413 45.100 0.030 0.000 0.621 136 G HN 0.374 nan 8.290 nan 0.000 0.524 137 E N 2.352 122.575 120.200 0.038 0.000 2.105 137 E HA 0.398 4.748 4.350 -0.000 0.000 0.285 137 E C -2.192 174.444 176.600 0.060 0.000 1.055 137 E CA -1.811 54.616 56.400 0.044 0.000 0.843 137 E CB 1.630 31.358 29.700 0.046 0.000 1.067 137 E HN 0.381 nan 8.360 nan 0.000 0.398 138 P HA 0.077 nan 4.420 nan 0.000 0.277 138 P C -0.669 176.695 177.300 0.107 0.000 1.240 138 P CA -0.543 62.597 63.100 0.066 0.000 0.798 138 P CB 0.544 32.260 31.700 0.026 0.000 0.979 139 Y N 1.598 121.900 120.300 0.002 0.000 2.504 139 Y HA 0.218 4.768 4.550 -0.000 0.000 0.351 139 Y C -0.172 175.712 175.900 -0.027 0.000 0.988 139 Y CA 0.274 58.386 58.100 0.020 0.000 1.239 139 Y CB 0.215 38.705 38.460 0.050 0.000 1.128 139 Y HN 0.200 nan 8.280 nan 0.000 0.525 140 S N 7.859 123.363 115.700 -0.325 0.000 2.422 140 S HA 0.456 4.925 4.470 -0.000 0.000 0.298 140 S C -1.258 173.207 174.600 -0.225 0.000 1.118 140 S CA -0.470 57.585 58.200 -0.241 0.000 1.083 140 S CB -0.094 63.028 63.200 -0.131 0.000 0.971 140 S HN 0.681 nan 8.310 nan 0.000 0.478 141 Y N -0.470 119.731 120.300 -0.166 0.000 2.689 141 Y HA 0.857 5.407 4.550 -0.000 0.000 0.333 141 Y C -0.065 175.816 175.900 -0.030 0.000 1.190 141 Y CA -0.863 57.173 58.100 -0.106 0.000 1.063 141 Y CB 0.609 39.009 38.460 -0.100 0.000 1.294 141 Y HN 0.942 nan 8.280 nan 0.000 0.466 142 G N 1.218 110.168 108.800 0.251 0.000 2.719 142 G HA2 0.079 4.039 3.960 -0.000 0.000 0.686 142 G HA3 0.079 4.039 3.960 -0.000 0.000 0.686 142 G C -2.983 171.957 174.900 0.067 0.000 1.201 142 G CA -0.883 44.318 45.100 0.167 0.000 0.768 142 G HN 0.683 nan 8.290 nan 0.000 0.629 143 P HA 0.304 nan 4.420 nan 0.000 0.268 143 P C -2.136 175.150 177.300 -0.024 0.000 1.208 143 P CA -0.719 62.389 63.100 0.013 0.000 0.777 143 P CB -0.276 31.432 31.700 0.014 0.000 0.875 144 P HA 0.109 nan 4.420 nan 0.000 0.267 144 P C -0.080 177.157 177.300 -0.105 0.000 1.200 144 P CA 0.314 63.379 63.100 -0.058 0.000 0.772 144 P CB 0.249 31.924 31.700 -0.041 0.000 0.855 145 I N -1.479 119.005 120.570 -0.143 0.000 2.693 145 I HA 0.483 4.653 4.170 -0.000 0.000 0.303 145 I C 0.395 176.417 176.117 -0.158 0.000 1.025 145 I CA -1.443 59.713 61.300 -0.240 0.000 1.086 145 I CB 1.865 39.615 38.000 -0.416 0.000 1.268 145 I HN 0.188 nan 8.210 nan 0.000 0.440 146 E N 2.858 122.966 120.200 -0.153 0.000 2.392 146 E HA -0.005 4.345 4.350 -0.000 0.000 0.264 146 E C -0.997 175.556 176.600 -0.079 0.000 1.024 146 E CA -0.237 56.109 56.400 -0.090 0.000 0.903 146 E CB 0.792 30.452 29.700 -0.067 0.000 0.963 146 E HN 0.710 nan 8.360 nan 0.000 0.432 147 D N 4.091 124.457 120.400 -0.057 0.000 2.346 147 D HA 0.163 4.802 4.640 -0.000 0.000 0.260 147 D C -1.934 174.338 176.300 -0.047 0.000 1.252 147 D CA -1.348 52.620 54.000 -0.053 0.000 0.895 147 D CB 0.449 41.226 40.800 -0.039 0.000 1.097 147 D HN 0.262 nan 8.370 nan 0.000 0.489 148 P HA 0.133 nan 4.420 nan 0.000 0.276 148 P C -0.764 176.515 177.300 -0.036 0.000 1.252 148 P CA -0.602 62.475 63.100 -0.038 0.000 0.802 148 P CB 0.638 32.316 31.700 -0.038 0.000 1.035 149 Q N 1.518 121.304 119.800 -0.023 0.000 2.293 149 Q HA 0.171 4.511 4.340 -0.000 0.000 0.263 149 Q C -0.449 175.541 176.000 -0.016 0.000 1.002 149 Q CA 0.291 56.085 55.803 -0.016 0.000 0.910 149 Q CB 0.304 29.037 28.738 -0.009 0.000 1.185 149 Q HN 0.242 nan 8.270 nan 0.000 0.401 150 R N 3.132 123.626 120.500 -0.010 0.000 2.532 150 R HA 0.482 4.821 4.340 -0.000 0.000 0.295 150 R C -0.598 175.709 176.300 0.012 0.000 0.968 150 R CA -0.894 55.206 56.100 0.000 0.000 0.916 150 R CB 1.424 31.732 30.300 0.013 0.000 1.124 150 R HN 0.571 nan 8.270 nan 0.000 0.463 151 E N 2.247 122.453 120.200 0.011 0.000 2.227 151 E HA 0.217 4.567 4.350 -0.000 0.000 0.268 151 E C -1.952 174.656 176.600 0.014 0.000 0.907 151 E CA -2.287 54.118 56.400 0.009 0.000 0.786 151 E CB 1.792 31.492 29.700 -0.000 0.000 1.191 151 E HN 0.250 nan 8.360 nan 0.000 0.411 152 P HA -0.171 nan 4.420 nan 0.000 0.215 152 P C 0.828 178.128 177.300 0.001 0.000 1.157 152 P CA 1.854 64.961 63.100 0.011 0.000 0.874 152 P CB 0.254 31.955 31.700 0.002 0.000 0.790 153 A N -1.005 121.808 122.820 -0.012 0.000 2.238 153 A HA -0.061 4.259 4.320 -0.000 0.000 0.208 153 A C 1.311 178.882 177.584 -0.022 0.000 1.177 153 A CA 0.011 52.032 52.037 -0.026 0.000 0.804 153 A CB -1.039 17.938 19.000 -0.038 0.000 0.823 153 A HN 0.230 nan 8.150 nan 0.000 0.482 154 Q N 1.041 120.836 119.800 -0.009 0.000 2.314 154 Q HA 0.217 4.557 4.340 -0.000 0.000 0.258 154 Q C -2.590 173.408 176.000 -0.004 0.000 0.954 154 Q CA -2.034 53.763 55.803 -0.010 0.000 0.890 154 Q CB 0.578 29.312 28.738 -0.008 0.000 1.210 154 Q HN 0.086 nan 8.270 nan 0.000 0.410 155 P HA -0.099 nan 4.420 nan 0.000 0.263 155 P C -1.036 176.245 177.300 -0.032 0.000 1.175 155 P CA 0.625 63.718 63.100 -0.011 0.000 0.761 155 P CB 0.919 32.605 31.700 -0.023 0.000 0.794 156 A N 2.717 125.517 122.820 -0.032 0.000 1.971 156 A HA 0.413 4.733 4.320 -0.000 0.000 0.200 156 A C -0.172 177.053 177.584 -0.598 0.000 1.658 156 A CA 0.716 52.619 52.037 -0.223 0.000 0.962 156 A CB 0.168 19.157 19.000 -0.018 0.000 1.053 156 A HN 0.428 nan 8.150 nan 0.000 0.533 157 F N -0.973 119.053 119.950 0.127 0.000 2.613 157 F HA 0.703 5.230 4.527 -0.000 0.000 0.314 157 F C -0.552 175.306 175.800 0.097 0.000 1.075 157 F CA -0.790 57.253 58.000 0.072 0.000 0.945 157 F CB 1.816 40.931 39.000 0.192 0.000 1.310 157 F HN -0.068 nan 8.300 nan 0.000 0.467 158 I N 1.945 122.586 120.570 0.119 0.000 2.498 158 I HA 0.448 4.618 4.170 -0.000 0.000 0.290 158 I C -1.405 174.630 176.117 -0.137 0.000 1.032 158 I CA -0.456 60.863 61.300 0.031 0.000 1.073 158 I CB 1.819 39.782 38.000 -0.062 0.000 1.251 158 I HN 0.398 nan 8.210 nan 0.000 0.426 159 F N 4.621 124.539 119.950 -0.053 0.000 2.551 159 F HA 0.520 5.047 4.527 -0.000 0.000 0.316 159 F C -0.721 175.005 175.800 -0.122 0.000 1.089 159 F CA -0.634 57.371 58.000 0.008 0.000 0.915 159 F CB 1.788 40.804 39.000 0.027 0.000 1.186 159 F HN 0.195 nan 8.300 nan 0.000 0.456 160 Y N 0.701 121.106 120.300 0.174 0.000 2.387 160 Y HA 0.455 5.005 4.550 -0.000 0.000 0.336 160 Y C 0.818 176.760 175.900 0.071 0.000 1.067 160 Y CA -0.799 57.358 58.100 0.096 0.000 1.114 160 Y CB 1.772 40.255 38.460 0.037 0.000 1.208 160 Y HN 0.684 nan 8.280 nan 0.000 0.458 161 T N -1.748 112.905 114.554 0.164 0.000 2.973 161 T HA 0.394 4.744 4.350 -0.000 0.000 0.308 161 T C 0.594 175.342 174.700 0.079 0.000 1.177 161 T CA -0.448 61.698 62.100 0.076 0.000 0.938 161 T CB -0.041 68.840 68.868 0.022 0.000 1.791 161 T HN 0.659 nan 8.240 nan 0.000 0.581 166 G N 0.698 109.493 108.800 -0.009 0.000 2.660 166 G HA2 0.149 4.109 3.960 -0.000 0.000 0.215 166 G HA3 0.149 4.109 3.960 -0.000 0.000 0.215 166 G C -0.394 174.501 174.900 -0.008 0.000 1.345 166 G CA -0.433 44.661 45.100 -0.010 0.000 0.877 166 G HN 1.281 nan 8.290 nan 0.000 0.549 167 L N 1.422 122.641 121.223 -0.006 0.000 2.453 167 L HA 0.321 4.661 4.340 -0.000 0.000 0.261 167 L C -1.418 175.462 176.870 0.016 0.000 1.179 167 L CA -1.169 53.673 54.840 0.004 0.000 0.813 167 L CB 0.328 42.392 42.059 0.009 0.000 1.110 167 L HN 0.396 nan 8.230 nan 0.000 0.466 168 P HA 0.086 nan 4.420 nan 0.000 0.268 168 P C -1.038 176.346 177.300 0.140 0.000 1.208 168 P CA 0.066 63.228 63.100 0.104 0.000 0.777 168 P CB 0.499 32.301 31.700 0.169 0.000 0.875 169 K N 1.030 121.457 120.400 0.045 0.000 2.156 169 K HA 0.642 4.961 4.320 -0.000 0.000 0.254 169 K C -0.397 176.153 176.600 -0.083 0.000 0.950 169 K CA -0.865 55.384 56.287 -0.064 0.000 0.849 169 K CB 1.606 33.849 32.500 -0.427 0.000 1.100 169 K HN 0.362 nan 8.250 nan 0.000 0.434 170 A N 2.066 124.798 122.820 -0.146 0.000 2.506 170 A HA 0.435 4.755 4.320 -0.000 0.000 0.320 170 A C -0.069 177.496 177.584 -0.032 0.000 1.424 170 A CA -0.500 51.251 52.037 -0.477 0.000 1.044 170 A CB -0.204 18.565 19.000 -0.386 0.000 1.140 170 A HN 0.719 nan 8.150 nan 0.000 0.538 171 A N 3.388 126.223 122.820 0.025 0.000 2.404 171 A HA 0.544 4.864 4.320 -0.000 0.000 0.273 171 A C 0.045 177.717 177.584 0.146 0.000 1.144 171 A CA -0.202 51.947 52.037 0.187 0.000 0.806 171 A CB -0.249 18.779 19.000 0.047 0.000 1.080 171 A HN 0.750 nan 8.150 nan 0.000 0.509 172 I N 4.298 124.966 120.570 0.162 0.000 2.312 172 I HA 0.145 4.315 4.170 -0.000 0.000 0.291 172 I C -0.390 175.804 176.117 0.128 0.000 1.031 172 I CA -0.300 61.060 61.300 0.099 0.000 1.293 172 I CB 0.694 38.704 38.000 0.017 0.000 1.403 172 I HN 0.409 nan 8.210 nan 0.000 0.484 173 I N 9.298 129.984 120.570 0.192 0.000 2.312 173 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 173 I C -2.016 174.201 176.117 0.165 0.000 1.031 173 I CA -2.674 58.744 61.300 0.197 0.000 1.293 173 I CB 0.447 38.658 38.000 0.352 0.000 1.403 173 I HN 0.251 nan 8.210 nan 0.000 0.484 174 P HA 0.174 nan 4.420 nan 0.000 0.276 174 P C 0.330 177.690 177.300 0.099 0.000 1.252 174 P CA -0.407 62.725 63.100 0.054 0.000 0.802 174 P CB 1.100 32.796 31.700 -0.006 0.000 1.035 175 Q N 1.228 121.083 119.800 0.092 0.000 2.135 175 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 175 Q C 1.957 178.025 176.000 0.113 0.000 0.981 175 Q CA 1.803 57.690 55.803 0.139 0.000 0.856 175 Q CB -0.428 28.376 28.738 0.111 0.000 0.902 175 Q HN 0.612 nan 8.270 nan 0.000 0.425 176 R N -0.135 120.394 120.500 0.048 0.000 2.316 176 R HA 0.169 4.508 4.340 -0.000 0.000 0.202 176 R C 1.785 178.063 176.300 -0.036 0.000 1.029 176 R CA 0.887 56.994 56.100 0.012 0.000 1.018 176 R CB -0.180 30.113 30.300 -0.010 0.000 0.888 176 R HN 0.076 nan 8.270 nan 0.000 0.471 177 A N 1.339 124.129 122.820 -0.050 0.000 2.021 177 A HA 0.228 4.548 4.320 -0.000 0.000 0.216 177 A C 2.405 179.850 177.584 -0.232 0.000 1.163 177 A CA 0.771 52.709 52.037 -0.165 0.000 0.676 177 A CB -0.309 18.578 19.000 -0.189 0.000 0.818 177 A HN 0.461 nan 8.150 nan 0.000 0.453 178 A N 0.115 122.889 122.820 -0.077 0.000 1.883 178 A HA -0.236 4.083 4.320 -0.000 0.000 0.217 178 A C 2.003 179.571 177.584 -0.027 0.000 1.186 178 A CA 1.864 53.904 52.037 0.004 0.000 0.624 178 A CB -0.570 18.609 19.000 0.299 0.000 0.822 178 A HN 0.624 nan 8.150 nan 0.000 0.444 179 E N 0.048 120.237 120.200 -0.018 0.000 2.051 179 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 179 E C 2.258 178.815 176.600 -0.072 0.000 0.991 179 E CA 1.689 58.085 56.400 -0.007 0.000 0.799 179 E CB -0.100 29.613 29.700 0.022 0.000 0.748 179 E HN 0.768 nan 8.360 nan 0.000 0.449 180 S N -0.006 115.536 115.700 -0.263 0.000 2.453 180 S HA -0.025 4.444 4.470 -0.000 0.000 0.231 180 S C 1.798 176.242 174.600 -0.260 0.000 1.005 180 S CA 0.288 58.129 58.200 -0.597 0.000 0.949 180 S CB -0.142 62.217 63.200 -1.402 0.000 0.774 180 S HN 0.187 nan 8.310 nan 0.000 0.510 181 R N 0.364 120.736 120.500 -0.213 0.000 2.235 181 R HA 0.134 4.474 4.340 -0.000 0.000 0.213 181 R C 1.729 178.127 176.300 0.163 0.000 1.059 181 R CA 0.884 56.925 56.100 -0.099 0.000 0.997 181 R CB -0.286 29.658 30.300 -0.593 0.000 0.884 181 R HN 0.360 nan 8.270 nan 0.000 0.462 182 V N 0.596 120.552 119.914 0.070 0.000 2.436 182 V HA -0.085 4.035 4.120 -0.000 0.000 0.240 182 V C 2.006 178.076 176.094 -0.040 0.000 1.040 182 V CA 1.091 63.402 62.300 0.018 0.000 1.052 182 V CB -0.115 31.719 31.823 0.018 0.000 0.707 182 V HN 0.236 nan 8.190 nan 0.000 0.469 183 L N 0.350 121.619 121.223 0.077 0.000 2.465 183 L HA -0.104 4.236 4.340 -0.000 0.000 0.224 183 L C 2.406 179.411 176.870 0.225 0.000 1.145 183 L CA 1.153 56.076 54.840 0.138 0.000 0.834 183 L CB -0.573 41.644 42.059 0.262 0.000 0.944 183 L HN 0.567 nan 8.230 nan 0.000 0.451 184 F N -0.877 119.235 119.950 0.269 0.000 2.250 184 F HA -0.209 4.318 4.527 -0.000 0.000 0.301 184 F C 2.223 178.059 175.800 0.060 0.000 1.077 184 F CA 1.050 59.185 58.000 0.225 0.000 1.348 184 F CB -0.519 38.599 39.000 0.197 0.000 1.040 184 F HN -0.026 nan 8.300 nan 0.000 0.509 185 M N 0.300 119.386 119.600 -0.857 0.000 2.460 185 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 185 M C 2.376 178.486 176.300 -0.317 0.000 1.071 185 M CA 1.254 56.142 55.300 -0.687 0.000 1.096 185 M CB -1.292 30.945 32.600 -0.604 0.000 1.408 185 M HN 0.507 nan 8.290 nan 0.000 0.463 186 S N 0.008 115.587 115.700 -0.201 0.000 2.398 186 S HA -0.069 4.401 4.470 -0.000 0.000 0.220 186 S C 2.005 176.529 174.600 -0.126 0.000 1.046 186 S CA 1.647 59.765 58.200 -0.136 0.000 0.953 186 S CB -0.188 62.958 63.200 -0.090 0.000 0.856 186 S HN 0.587 nan 8.310 nan 0.000 0.506 187 T N -0.811 113.668 114.554 -0.125 0.000 2.821 187 T HA 0.018 4.368 4.350 -0.000 0.000 0.267 187 T C 1.804 176.412 174.700 -0.153 0.000 1.046 187 T CA 1.186 63.183 62.100 -0.173 0.000 1.139 187 T CB -0.355 68.348 68.868 -0.275 0.000 0.871 187 T HN 0.292 nan 8.240 nan 0.000 0.454 188 Q N 0.255 119.956 119.800 -0.166 0.000 2.200 188 Q HA 0.321 4.661 4.340 -0.000 0.000 0.197 188 Q C 2.347 178.288 176.000 -0.098 0.000 0.953 188 Q CA 0.739 56.315 55.803 -0.379 0.000 0.851 188 Q CB 0.092 28.576 28.738 -0.423 0.000 0.938 188 Q HN 0.452 nan 8.270 nan 0.000 0.488 189 V N -1.095 118.773 119.914 -0.077 0.000 3.590 189 V HA 0.255 4.374 4.120 -0.000 0.000 0.265 189 V C 1.124 177.174 176.094 -0.073 0.000 1.239 189 V CA 0.829 63.098 62.300 -0.051 0.000 1.117 189 V CB 0.058 31.800 31.823 -0.135 0.000 0.818 189 V HN 0.523 nan 8.190 nan 0.000 0.451 190 G N 0.720 109.469 108.800 -0.085 0.000 2.143 190 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.248 190 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.248 190 G C 0.165 174.982 174.900 -0.138 0.000 0.991 190 G CA 0.183 45.261 45.100 -0.037 0.000 0.689 190 G HN 0.417 nan 8.290 nan 0.000 0.522 191 L N 0.028 121.068 121.223 -0.306 0.000 2.482 191 L HA 0.487 4.827 4.340 -0.000 0.000 0.273 191 L C 1.297 178.127 176.870 -0.067 0.000 1.228 191 L CA 0.320 55.009 54.840 -0.252 0.000 0.827 191 L CB 0.420 42.324 42.059 -0.258 0.000 1.099 191 L HN 0.625 nan 8.230 nan 0.000 0.494 192 R N 0.185 120.710 120.500 0.041 0.000 2.817 192 R HA 0.373 4.713 4.340 -0.000 0.000 0.268 192 R C -0.604 175.779 176.300 0.138 0.000 1.027 192 R CA -0.982 55.172 56.100 0.090 0.000 0.928 192 R CB 1.272 31.636 30.300 0.106 0.000 1.228 192 R HN 0.562 nan 8.270 nan 0.000 0.469 193 H N 0.051 119.153 119.070 0.053 0.000 2.897 193 H HA 0.371 4.926 4.556 -0.000 0.000 0.347 193 H C -0.308 175.087 175.328 0.111 0.000 1.068 193 H CA 2.025 58.091 56.048 0.030 0.000 1.426 193 H CB 0.754 30.518 29.762 0.004 0.000 1.410 193 H HN 0.907 nan 8.280 nan 0.000 0.597 194 G N 3.996 112.349 108.800 -0.745 0.000 2.352 194 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.305 194 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.305 194 G C 0.113 174.716 174.900 -0.494 0.000 1.537 194 G CA -0.723 44.103 45.100 -0.456 0.000 0.959 194 G HN 0.606 nan 8.290 nan 0.000 0.668 195 R N -0.048 120.256 120.500 -0.327 0.000 2.316 195 R HA -0.028 4.312 4.340 -0.000 0.000 0.202 195 R C 2.079 178.289 176.300 -0.151 0.000 1.029 195 R CA 1.051 56.898 56.100 -0.422 0.000 1.018 195 R CB -0.184 29.748 30.300 -0.613 0.000 0.888 195 R HN 0.780 nan 8.270 nan 0.000 0.471 196 H N -0.033 118.989 119.070 -0.080 0.000 2.457 196 H HA 0.031 4.587 4.556 -0.000 0.000 0.294 196 H C 0.047 175.393 175.328 0.030 0.000 1.064 196 H CA 0.313 56.359 56.048 -0.004 0.000 1.330 196 H CB -0.400 29.359 29.762 -0.006 0.000 1.395 196 H HN -0.032 nan 8.280 nan 0.000 0.541 197 N N 1.879 120.231 118.700 -0.580 0.000 2.434 197 N HA 0.065 4.805 4.740 -0.000 0.000 0.268 197 N C -0.862 174.612 175.510 -0.060 0.000 1.256 197 N CA 0.259 53.119 53.050 -0.316 0.000 0.914 197 N CB 1.598 39.875 38.487 -0.350 0.000 1.088 197 N HN 0.069 nan 8.380 nan 0.000 0.478 198 V N 3.519 123.431 119.914 -0.003 0.000 2.409 198 V HA 0.246 4.366 4.120 -0.000 0.000 0.290 198 V C 0.002 176.105 176.094 0.015 0.000 1.017 198 V CA -0.783 61.527 62.300 0.017 0.000 0.841 198 V CB 1.925 33.763 31.823 0.025 0.000 1.003 198 V HN 0.224 nan 8.190 nan 0.000 0.426 199 V N 5.990 125.907 119.914 0.006 0.000 2.384 199 V HA 0.434 4.553 4.120 -0.000 0.000 0.287 199 V C -0.204 175.847 176.094 -0.072 0.000 1.020 199 V CA -0.661 61.646 62.300 0.013 0.000 0.850 199 V CB 1.783 33.646 31.823 0.067 0.000 0.987 199 V HN 0.670 nan 8.190 nan 0.000 0.436 200 L N 4.709 125.903 121.223 -0.048 0.000 2.313 200 L HA 0.595 4.935 4.340 -0.000 0.000 0.282 200 L C 1.067 177.859 176.870 -0.130 0.000 1.092 200 L CA 0.483 55.261 54.840 -0.103 0.000 0.831 200 L CB 1.064 43.113 42.059 -0.018 0.000 1.159 200 L HN 0.716 nan 8.230 nan 0.000 0.442 201 G N 6.014 114.616 108.800 -0.331 0.000 3.213 201 G HA2 0.253 4.213 3.960 -0.000 0.000 0.263 201 G HA3 0.253 4.213 3.960 -0.000 0.000 0.263 201 G C 0.773 175.657 174.900 -0.026 0.000 0.829 201 G CA -0.264 44.680 45.100 -0.260 0.000 1.983 201 G HN 0.760 nan 8.290 nan 0.000 0.616 202 L N 0.419 121.671 121.223 0.048 0.000 2.209 202 L HA 0.195 4.535 4.340 -0.000 0.000 0.207 202 L C 1.415 178.332 176.870 0.078 0.000 1.094 202 L CA 0.307 55.206 54.840 0.098 0.000 0.790 202 L CB -0.215 41.928 42.059 0.139 0.000 0.932 202 L HN 0.307 nan 8.230 nan 0.000 0.447 203 M N 0.714 120.330 119.600 0.026 0.000 2.235 203 M HA 0.266 4.746 4.480 -0.000 0.000 0.351 203 M C -2.188 174.053 176.300 -0.099 0.000 1.178 203 M CA -2.345 52.901 55.300 -0.090 0.000 1.143 203 M CB 0.088 32.561 32.600 -0.212 0.000 1.530 203 M HN -0.303 nan 8.290 nan 0.000 0.461 204 P HA 0.097 nan 4.420 nan 0.000 0.268 204 P C 0.731 177.819 177.300 -0.355 0.000 1.205 204 P CA -0.044 62.801 63.100 -0.425 0.000 0.771 204 P CB 0.471 31.598 31.700 -0.954 0.000 0.858 205 L N 1.984 123.065 121.223 -0.237 0.000 2.275 205 L HA -0.145 4.195 4.340 -0.000 0.000 0.215 205 L C 1.619 178.538 176.870 0.083 0.000 1.119 205 L CA 1.257 56.100 54.840 0.005 0.000 0.790 205 L CB -0.754 41.361 42.059 0.093 0.000 0.919 205 L HN 0.532 nan 8.230 nan 0.000 0.443 206 Y N -3.502 116.908 120.300 0.183 0.000 2.471 206 Y HA 0.192 4.742 4.550 -0.000 0.000 0.286 206 Y C 1.097 177.240 175.900 0.406 0.000 1.188 206 Y CA -0.603 57.596 58.100 0.165 0.000 1.286 206 Y CB -0.920 37.572 38.460 0.052 0.000 1.072 206 Y HN 0.049 nan 8.280 nan 0.000 0.517 207 H N 1.568 120.717 119.070 0.131 0.000 2.463 207 H HA 0.223 4.778 4.556 -0.000 0.000 0.332 207 H C 1.327 176.676 175.328 0.035 0.000 1.127 207 H CA 0.006 56.125 56.048 0.118 0.000 1.238 207 H CB 2.560 32.272 29.762 -0.083 0.000 1.478 207 H HN 0.177 nan 8.280 nan 0.000 0.499 208 V N 3.118 122.896 119.914 -0.228 0.000 2.469 208 V HA -0.173 3.947 4.120 -0.000 0.000 0.251 208 V C 1.963 178.082 176.094 0.041 0.000 1.064 208 V CA 1.568 63.647 62.300 -0.368 0.000 1.066 208 V CB -1.112 30.434 31.823 -0.462 0.000 0.667 208 V HN 0.452 nan 8.190 nan 0.000 0.461 209 V N 1.913 121.945 119.914 0.197 0.000 2.307 209 V HA -0.058 4.062 4.120 -0.000 0.000 0.245 209 V C 2.996 179.004 176.094 -0.143 0.000 1.045 209 V CA 2.278 64.525 62.300 -0.088 0.000 1.024 209 V CB -1.560 29.960 31.823 -0.505 0.000 0.651 209 V HN 0.627 nan 8.190 nan 0.000 0.449 210 G N -1.103 107.645 108.800 -0.088 0.000 2.469 210 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.220 210 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.220 210 G C 1.519 176.417 174.900 -0.004 0.000 1.136 210 G CA 1.272 46.340 45.100 -0.054 0.000 0.759 210 G HN 0.478 nan 8.290 nan 0.000 0.562 211 F N 0.062 119.918 119.950 -0.157 0.000 2.148 211 F HA 0.315 4.841 4.527 -0.000 0.000 0.285 211 F C 2.348 177.901 175.800 -0.412 0.000 1.092 211 F CA 0.593 58.398 58.000 -0.325 0.000 1.218 211 F CB -0.207 38.575 39.000 -0.364 0.000 1.059 211 F HN 0.091 nan 8.300 nan 0.000 0.490 212 F N 0.406 120.228 119.950 -0.214 0.000 2.098 212 F HA 0.020 4.547 4.527 -0.000 0.000 0.294 212 F C 2.547 178.221 175.800 -0.211 0.000 1.107 212 F CA 1.237 59.069 58.000 -0.280 0.000 1.234 212 F CB -1.124 37.790 39.000 -0.144 0.000 1.002 212 F HN 0.031 nan 8.300 nan 0.000 0.472 213 A N -0.760 122.107 122.820 0.077 0.000 2.119 213 A HA 0.107 4.427 4.320 -0.000 0.000 0.216 213 A C 1.848 179.404 177.584 -0.046 0.000 1.152 213 A CA 1.318 53.359 52.037 0.007 0.000 0.708 213 A CB -0.554 18.509 19.000 0.104 0.000 0.805 213 A HN 0.211 nan 8.150 nan 0.000 0.460 214 V N -1.482 118.390 119.914 -0.070 0.000 3.097 214 V HA 0.058 4.178 4.120 -0.000 0.000 0.223 214 V C 2.070 178.153 176.094 -0.018 0.000 1.199 214 V CA 0.717 63.023 62.300 0.010 0.000 1.260 214 V CB -0.807 31.056 31.823 0.066 0.000 1.155 214 V HN 0.425 nan 8.190 nan 0.000 0.509 215 L N 0.744 121.828 121.223 -0.231 0.000 1.970 215 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 215 L C 2.280 178.869 176.870 -0.467 0.000 1.071 215 L CA 2.301 56.777 54.840 -0.607 0.000 0.751 215 L CB -0.580 40.946 42.059 -0.889 0.000 0.889 215 L HN 0.143 nan 8.230 nan 0.000 0.432 216 V N 0.221 119.799 119.914 -0.560 0.000 2.307 216 V HA -0.239 3.880 4.120 -0.000 0.000 0.245 216 V C 2.827 178.797 176.094 -0.205 0.000 1.045 216 V CA 1.563 63.597 62.300 -0.443 0.000 1.024 216 V CB -1.476 30.004 31.823 -0.572 0.000 0.651 216 V HN 0.630 nan 8.190 nan 0.000 0.449 217 A N 0.258 122.983 122.820 -0.159 0.000 1.883 217 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 217 A C 2.472 180.019 177.584 -0.061 0.000 1.186 217 A CA 2.389 54.370 52.037 -0.093 0.000 0.624 217 A CB -0.965 17.972 19.000 -0.105 0.000 0.822 217 A HN 0.591 nan 8.150 nan 0.000 0.444 218 A N -0.181 122.615 122.820 -0.041 0.000 1.884 218 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 218 A C 2.210 179.813 177.584 0.032 0.000 1.197 218 A CA 1.858 53.904 52.037 0.014 0.000 0.637 218 A CB -0.764 18.302 19.000 0.111 0.000 0.827 218 A HN 0.515 nan 8.150 nan 0.000 0.450 219 L N -1.217 120.013 121.223 0.012 0.000 2.072 219 L HA -0.094 4.246 4.340 -0.000 0.000 0.205 219 L C 3.020 179.987 176.870 0.161 0.000 1.079 219 L CA 0.920 55.825 54.840 0.109 0.000 0.752 219 L CB -0.568 41.479 42.059 -0.021 0.000 0.906 219 L HN 0.428 nan 8.230 nan 0.000 0.436 220 A N -0.031 122.819 122.820 0.050 0.000 2.015 220 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 220 A C 2.052 179.677 177.584 0.068 0.000 1.163 220 A CA 1.136 53.205 52.037 0.054 0.000 0.646 220 A CB -0.472 18.539 19.000 0.019 0.000 0.806 220 A HN 0.411 nan 8.150 nan 0.000 0.448 221 L N -1.086 120.152 121.223 0.025 0.000 2.611 221 L HA 0.109 4.449 4.340 -0.000 0.000 0.229 221 L C -0.275 176.472 176.870 -0.205 0.000 1.137 221 L CA 0.058 54.880 54.840 -0.029 0.000 0.901 221 L CB -0.104 41.903 42.059 -0.086 0.000 1.098 221 L HN 0.246 nan 8.230 nan 0.000 0.456 222 D N -0.746 119.604 120.400 -0.082 0.000 3.091 222 D HA -0.126 4.514 4.640 -0.000 0.000 0.216 222 D C 0.602 176.873 176.300 -0.048 0.000 1.129 222 D CA 1.050 54.939 54.000 -0.185 0.000 0.913 222 D CB -1.234 39.371 40.800 -0.325 0.000 1.101 222 D HN 0.470 nan 8.370 nan 0.000 0.426 223 G N -1.346 107.507 108.800 0.088 0.000 2.782 223 G HA2 0.674 4.634 3.960 -0.000 0.000 0.201 223 G HA3 0.674 4.634 3.960 -0.000 0.000 0.201 223 G C -0.343 174.719 174.900 0.270 0.000 1.374 223 G CA -0.117 45.068 45.100 0.141 0.000 1.039 223 G HN 0.086 nan 8.290 nan 0.000 0.576 224 T N -0.355 114.280 114.554 0.135 0.000 2.824 224 T HA 0.396 4.746 4.350 -0.000 0.000 0.282 224 T C -1.656 173.091 174.700 0.078 0.000 0.993 224 T CA -0.093 62.045 62.100 0.064 0.000 0.967 224 T CB 1.541 70.409 68.868 0.000 0.000 0.960 224 T HN 0.373 nan 8.240 nan 0.000 0.441 225 Y N 3.407 123.670 120.300 -0.063 0.000 2.335 225 Y HA 0.551 5.101 4.550 -0.000 0.000 0.339 225 Y C -0.674 175.201 175.900 -0.041 0.000 0.987 225 Y CA -0.848 57.220 58.100 -0.054 0.000 1.140 225 Y CB 0.680 39.095 38.460 -0.074 0.000 1.173 225 Y HN 0.380 nan 8.280 nan 0.000 0.486 226 V N 7.860 127.499 119.914 -0.459 0.000 2.385 226 V HA 0.188 4.308 4.120 -0.000 0.000 0.269 226 V C -0.202 175.557 176.094 -0.558 0.000 1.043 226 V CA -0.856 61.224 62.300 -0.366 0.000 0.906 226 V CB 0.762 32.458 31.823 -0.210 0.000 0.995 226 V HN 0.609 nan 8.190 nan 0.000 0.467 227 V N 6.191 125.919 119.914 -0.311 0.000 2.572 227 V HA 0.209 4.329 4.120 -0.000 0.000 0.291 227 V C 0.188 176.217 176.094 -0.108 0.000 1.039 227 V CA -0.095 62.102 62.300 -0.172 0.000 1.055 227 V CB 1.465 33.310 31.823 0.036 0.000 0.969 227 V HN 0.600 nan 8.190 nan 0.000 0.482 228 V N 4.842 124.719 119.914 -0.062 0.000 2.376 228 V HA 0.284 4.403 4.120 -0.000 0.000 0.287 228 V C 0.718 176.839 176.094 0.045 0.000 1.015 228 V CA -0.350 61.946 62.300 -0.007 0.000 0.834 228 V CB 1.248 33.077 31.823 0.010 0.000 1.001 228 V HN 0.971 nan 8.190 nan 0.000 0.428 229 E N 2.983 123.208 120.200 0.042 0.000 2.158 229 E HA 0.098 4.448 4.350 -0.000 0.000 0.191 229 E C 0.835 177.480 176.600 0.075 0.000 0.982 229 E CA 1.043 57.481 56.400 0.063 0.000 0.823 229 E CB 0.409 30.139 29.700 0.049 0.000 0.766 229 E HN 0.854 nan 8.360 nan 0.000 0.468 230 E N 0.798 121.034 120.200 0.060 0.000 2.287 230 E HA 0.267 4.617 4.350 -0.000 0.000 0.274 230 E C -1.615 175.019 176.600 0.057 0.000 0.896 230 E CA -0.698 55.745 56.400 0.072 0.000 0.788 230 E CB 0.372 30.096 29.700 0.040 0.000 1.244 230 E HN 0.164 nan 8.360 nan 0.000 0.408 231 F N 3.032 122.951 119.950 -0.052 0.000 2.504 231 F HA 0.603 5.129 4.527 -0.000 0.000 0.369 231 F C 0.468 176.195 175.800 -0.121 0.000 1.082 231 F CA 0.003 57.916 58.000 -0.144 0.000 1.216 231 F CB 0.593 39.387 39.000 -0.343 0.000 1.108 231 F HN 0.496 nan 8.300 nan 0.000 0.554 232 R N 7.014 126.887 120.500 -1.045 0.000 2.510 232 R HA 0.207 4.546 4.340 -0.000 0.000 0.287 232 R C -2.253 173.466 176.300 -0.968 0.000 1.084 232 R CA -1.600 53.992 56.100 -0.847 0.000 0.934 232 R CB 1.728 31.811 30.300 -0.362 0.000 1.201 232 R HN 0.338 nan 8.270 nan 0.000 0.431 233 P HA -0.201 nan 4.420 nan 0.000 0.214 233 P C 1.360 178.511 177.300 -0.247 0.000 1.163 233 P CA 0.980 63.801 63.100 -0.466 0.000 0.889 233 P CB 0.288 31.898 31.700 -0.151 0.000 0.790 234 V N 0.440 120.247 119.914 -0.177 0.000 2.287 234 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 234 V C 2.310 178.335 176.094 -0.115 0.000 1.053 234 V CA 2.491 64.730 62.300 -0.102 0.000 1.027 234 V CB -1.523 30.259 31.823 -0.067 0.000 0.646 234 V HN 0.178 nan 8.190 nan 0.000 0.447 235 D N 0.174 120.477 120.400 -0.161 0.000 2.117 235 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 235 D C 2.069 178.292 176.300 -0.127 0.000 0.987 235 D CA 1.489 55.407 54.000 -0.137 0.000 0.829 235 D CB -0.172 40.538 40.800 -0.151 0.000 0.961 235 D HN 0.381 nan 8.370 nan 0.000 0.460 236 A N 0.141 122.854 122.820 -0.179 0.000 1.902 236 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 236 A C 2.392 179.952 177.584 -0.041 0.000 1.181 236 A CA 1.141 53.120 52.037 -0.097 0.000 0.623 236 A CB -0.850 18.106 19.000 -0.073 0.000 0.818 236 A HN 0.389 nan 8.150 nan 0.000 0.443 237 L N -1.052 120.144 121.223 -0.045 0.000 2.141 237 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 237 L C 2.784 179.643 176.870 -0.019 0.000 1.094 237 L CA 1.240 56.070 54.840 -0.017 0.000 0.763 237 L CB -0.532 41.517 42.059 -0.016 0.000 0.908 237 L HN 0.485 nan 8.230 nan 0.000 0.437 238 Q N -0.129 119.651 119.800 -0.033 0.000 2.167 238 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 238 Q C 2.381 178.367 176.000 -0.025 0.000 0.970 238 Q CA 1.086 56.873 55.803 -0.027 0.000 0.855 238 Q CB 0.005 28.722 28.738 -0.035 0.000 0.911 238 Q HN 0.526 nan 8.270 nan 0.000 0.438 239 L N -0.214 120.990 121.223 -0.031 0.000 2.093 239 L HA -0.167 4.172 4.340 -0.000 0.000 0.208 239 L C 2.276 179.135 176.870 -0.018 0.000 1.085 239 L CA 0.626 55.449 54.840 -0.029 0.000 0.755 239 L CB -0.437 41.598 42.059 -0.040 0.000 0.904 239 L HN 0.119 nan 8.230 nan 0.000 0.435 240 V N -0.135 119.774 119.914 -0.008 0.000 2.252 240 V HA -0.388 3.732 4.120 -0.000 0.000 0.249 240 V C 2.483 178.580 176.094 0.005 0.000 1.056 240 V CA 2.247 64.550 62.300 0.005 0.000 1.022 240 V CB -0.632 31.200 31.823 0.015 0.000 0.641 240 V HN 0.547 nan 8.190 nan 0.000 0.445 241 Q N -0.567 119.234 119.800 0.002 0.000 2.020 241 Q HA -0.293 4.047 4.340 -0.000 0.000 0.202 241 Q C 2.349 178.350 176.000 0.001 0.000 0.982 241 Q CA 2.156 57.961 55.803 0.003 0.000 0.838 241 Q CB -0.072 28.667 28.738 0.001 0.000 0.899 241 Q HN 0.684 nan 8.270 nan 0.000 0.423 242 Q N -0.380 119.417 119.800 -0.005 0.000 2.172 242 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 242 Q C 1.357 177.354 176.000 -0.006 0.000 0.964 242 Q CA 1.188 56.987 55.803 -0.007 0.000 0.855 242 Q CB 0.365 29.095 28.738 -0.013 0.000 0.918 242 Q HN 0.297 nan 8.270 nan 0.000 0.444 243 E N -0.157 120.038 120.200 -0.008 0.000 2.474 243 E HA 0.009 4.359 4.350 -0.000 0.000 0.195 243 E C -0.252 176.351 176.600 0.005 0.000 1.039 243 E CA 0.076 56.471 56.400 -0.009 0.000 0.881 243 E CB 0.647 30.333 29.700 -0.023 0.000 0.970 243 E HN 0.190 nan 8.360 nan 0.000 0.486 244 Q N 0.061 119.868 119.800 0.012 0.000 2.451 244 Q HA -0.151 4.188 4.340 -0.000 0.000 0.305 244 Q C -0.271 175.748 176.000 0.032 0.000 1.345 244 Q CA 0.330 56.147 55.803 0.025 0.000 0.854 244 Q CB -2.464 26.294 28.738 0.033 0.000 1.162 244 Q HN 0.085 nan 8.270 nan 0.000 0.440 245 V N 1.050 120.978 119.914 0.024 0.000 2.644 245 V HA -0.053 4.067 4.120 -0.000 0.000 0.305 245 V C 1.942 178.068 176.094 0.054 0.000 1.053 245 V CA 1.644 63.963 62.300 0.031 0.000 1.186 245 V CB 0.967 32.803 31.823 0.022 0.000 0.895 245 V HN 0.665 nan 8.190 nan 0.000 0.490 246 T N -0.325 114.276 114.554 0.078 0.000 3.000 246 T HA 0.180 4.530 4.350 -0.000 0.000 0.248 246 T C 0.555 175.358 174.700 0.171 0.000 1.034 246 T CA 0.449 62.623 62.100 0.124 0.000 1.060 246 T CB 0.292 69.266 68.868 0.177 0.000 0.983 246 T HN 0.790 nan 8.240 nan 0.000 0.482 247 S N 1.358 117.142 115.700 0.141 0.000 2.546 247 S HA 0.759 5.229 4.470 -0.000 0.000 0.274 247 S C -1.375 173.295 174.600 0.116 0.000 1.121 247 S CA -1.133 57.163 58.200 0.160 0.000 0.887 247 S CB 2.262 65.550 63.200 0.148 0.000 1.094 247 S HN 0.739 nan 8.310 nan 0.000 0.474 248 L N -0.645 120.654 121.223 0.126 0.000 2.445 248 L HA 0.913 5.253 4.340 -0.000 0.000 0.262 248 L C -1.721 175.251 176.870 0.170 0.000 0.974 248 L CA -0.784 54.140 54.840 0.141 0.000 0.822 248 L CB 1.545 43.676 42.059 0.119 0.000 1.339 248 L HN 0.689 nan 8.230 nan 0.000 0.409 249 F N 2.730 122.724 119.950 0.074 0.000 2.449 249 F HA 0.920 5.447 4.527 -0.000 0.000 0.342 249 F C -0.091 175.749 175.800 0.066 0.000 1.127 249 F CA -0.225 57.822 58.000 0.078 0.000 0.975 249 F CB 1.546 40.576 39.000 0.050 0.000 1.146 249 F HN 1.029 nan 8.300 nan 0.000 0.444 250 A N 2.564 125.630 122.820 0.410 0.000 2.566 250 A HA 0.696 5.016 4.320 -0.000 0.000 0.292 250 A C -0.462 177.237 177.584 0.191 0.000 1.112 250 A CA -0.439 51.746 52.037 0.247 0.000 0.707 250 A CB 0.903 19.999 19.000 0.160 0.000 1.302 250 A HN 0.728 nan 8.150 nan 0.000 0.409 251 T N -0.780 113.769 114.554 -0.009 0.000 2.900 251 T HA 0.362 4.711 4.350 -0.000 0.000 0.307 251 T C -1.848 172.810 174.700 -0.071 0.000 1.065 251 T CA -0.732 61.316 62.100 -0.086 0.000 1.105 251 T CB 0.431 69.109 68.868 -0.318 0.000 0.979 251 T HN 0.261 nan 8.240 nan 0.000 0.544 252 P HA -0.095 nan 4.420 nan 0.000 0.216 252 P C 1.665 178.904 177.300 -0.101 0.000 1.150 252 P CA 1.172 64.201 63.100 -0.119 0.000 0.843 252 P CB -0.209 31.444 31.700 -0.079 0.000 0.787 253 T N -1.966 112.526 114.554 -0.104 0.000 2.737 253 T HA -0.162 4.188 4.350 -0.000 0.000 0.265 253 T C 1.555 176.250 174.700 -0.009 0.000 1.038 253 T CA 1.317 63.374 62.100 -0.071 0.000 1.144 253 T CB -1.010 67.797 68.868 -0.101 0.000 0.866 253 T HN 0.365 nan 8.240 nan 0.000 0.434 254 H N 0.321 119.268 119.070 -0.205 0.000 2.387 254 H HA 0.061 4.616 4.556 -0.000 0.000 0.299 254 H C 2.275 177.547 175.328 -0.093 0.000 1.090 254 H CA 0.751 56.593 56.048 -0.343 0.000 1.332 254 H CB -0.096 29.260 29.762 -0.677 0.000 1.386 254 H HN 0.200 nan 8.280 nan 0.000 0.516 255 L N 0.243 121.487 121.223 0.035 0.000 2.083 255 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 255 L C 2.209 179.076 176.870 -0.007 0.000 1.083 255 L CA 1.220 56.058 54.840 -0.003 0.000 0.752 255 L CB -0.252 41.734 42.059 -0.123 0.000 0.899 255 L HN 0.292 nan 8.230 nan 0.000 0.433 256 D N -0.087 120.304 120.400 -0.015 0.000 2.117 256 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 256 D C 2.126 178.452 176.300 0.043 0.000 0.987 256 D CA 1.369 55.370 54.000 0.001 0.000 0.829 256 D CB 0.180 40.977 40.800 -0.004 0.000 0.961 256 D HN 0.266 nan 8.370 nan 0.000 0.460 257 A N -0.193 122.687 122.820 0.101 0.000 1.930 257 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 257 A C 2.357 180.016 177.584 0.125 0.000 1.175 257 A CA 0.835 52.959 52.037 0.145 0.000 0.627 257 A CB -0.701 18.468 19.000 0.281 0.000 0.815 257 A HN 0.329 nan 8.150 nan 0.000 0.443 258 L N -0.742 120.576 121.223 0.159 0.000 2.056 258 L HA -0.167 4.172 4.340 -0.000 0.000 0.207 258 L C 3.100 179.986 176.870 0.026 0.000 1.078 258 L CA 0.978 55.884 54.840 0.110 0.000 0.749 258 L CB -0.551 41.597 42.059 0.147 0.000 0.901 258 L HN 0.429 nan 8.230 nan 0.000 0.433 259 A N 0.219 123.050 122.820 0.019 0.000 1.865 259 A HA -0.218 4.101 4.320 -0.000 0.000 0.217 259 A C 2.553 180.059 177.584 -0.130 0.000 1.191 259 A CA 1.884 53.920 52.037 -0.000 0.000 0.623 259 A CB -0.877 18.151 19.000 0.045 0.000 0.826 259 A HN 0.392 nan 8.150 nan 0.000 0.444 260 A N -0.289 122.460 122.820 -0.119 0.000 1.940 260 A HA 0.091 4.410 4.320 -0.000 0.000 0.219 260 A C 2.453 179.841 177.584 -0.326 0.000 1.176 260 A CA 2.305 54.224 52.037 -0.198 0.000 0.631 260 A CB -0.939 18.024 19.000 -0.062 0.000 0.814 260 A HN 1.142 nan 8.150 nan 0.000 0.446 261 A N -0.701 122.005 122.820 -0.189 0.000 2.014 261 A HA 0.331 4.651 4.320 -0.000 0.000 0.218 261 A C 2.290 179.704 177.584 -0.283 0.000 1.163 261 A CA 1.552 53.489 52.037 -0.167 0.000 0.652 261 A CB -0.631 18.350 19.000 -0.032 0.000 0.808 261 A HN 1.028 nan 8.150 nan 0.000 0.449 262 A N -0.632 122.046 122.820 -0.237 0.000 2.169 262 A HA 0.449 4.768 4.320 -0.000 0.000 0.212 262 A C 2.078 179.510 177.584 -0.253 0.000 1.153 262 A CA 1.116 53.054 52.037 -0.165 0.000 0.756 262 A CB -0.489 18.484 19.000 -0.044 0.000 0.813 262 A HN 0.872 nan 8.150 nan 0.000 0.471 263 A N -0.447 122.048 122.820 -0.540 0.000 2.206 263 A HA 0.123 4.443 4.320 -0.000 0.000 0.211 263 A C 0.479 177.860 177.584 -0.340 0.000 1.158 263 A CA -0.108 51.575 52.037 -0.590 0.000 0.761 263 A CB -0.643 17.748 19.000 -1.015 0.000 0.801 263 A HN 0.692 nan 8.150 nan 0.000 0.473 264 H N -1.011 118.014 119.070 -0.076 0.000 2.767 264 H HA 0.433 4.989 4.556 -0.000 0.000 0.316 264 H C 1.303 176.624 175.328 -0.012 0.000 1.059 264 H CA -0.063 55.961 56.048 -0.040 0.000 1.461 264 H CB 1.268 31.008 29.762 -0.038 0.000 1.475 264 H HN 0.231 nan 8.280 nan 0.000 0.531 265 A N 3.422 126.310 122.820 0.113 0.000 2.014 265 A HA -0.037 4.282 4.320 -0.000 0.000 0.218 265 A C 2.398 180.017 177.584 0.059 0.000 1.163 265 A CA 1.103 53.181 52.037 0.070 0.000 0.652 265 A CB -0.497 18.537 19.000 0.056 0.000 0.808 265 A HN 0.859 nan 8.150 nan 0.000 0.449 266 G N -0.619 108.219 108.800 0.064 0.000 2.920 266 G HA2 0.229 4.189 3.960 -0.000 0.000 0.208 266 G HA3 0.229 4.189 3.960 -0.000 0.000 0.208 266 G C 0.716 175.639 174.900 0.038 0.000 1.159 266 G CA 0.731 45.852 45.100 0.036 0.000 0.784 266 G HN 0.518 nan 8.290 nan 0.000 0.535 267 S N -0.142 115.597 115.700 0.065 0.000 2.610 267 S HA 0.381 4.850 4.470 -0.000 0.000 0.273 267 S C 1.525 176.146 174.600 0.035 0.000 1.274 267 S CA 0.294 58.529 58.200 0.058 0.000 1.023 267 S CB 1.454 64.711 63.200 0.094 0.000 0.962 267 S HN 0.284 nan 8.310 nan 0.000 0.523 268 S N 3.785 119.500 115.700 0.024 0.000 2.556 268 S HA 0.284 4.754 4.470 -0.000 0.000 0.216 268 S C 0.457 175.065 174.600 0.014 0.000 0.970 268 S CA -0.445 57.764 58.200 0.016 0.000 0.912 268 S CB -0.615 62.590 63.200 0.009 0.000 0.790 268 S HN 0.652 nan 8.310 nan 0.000 0.504 269 L N 2.024 123.257 121.223 0.016 0.000 2.525 269 L HA 0.179 4.519 4.340 -0.000 0.000 0.278 269 L C 0.307 177.184 176.870 0.012 0.000 1.218 269 L CA 0.403 55.249 54.840 0.011 0.000 0.878 269 L CB 0.270 42.334 42.059 0.010 0.000 1.127 269 L HN 0.143 nan 8.230 nan 0.000 0.492 270 K N 4.395 124.801 120.400 0.010 0.000 2.425 270 K HA 0.368 4.688 4.320 -0.000 0.000 0.259 270 K C 0.065 176.672 176.600 0.011 0.000 0.978 270 K CA -0.311 55.983 56.287 0.011 0.000 0.883 270 K CB 1.159 33.664 32.500 0.009 0.000 1.110 270 K HN 0.520 nan 8.250 nan 0.000 0.436 271 L N 2.259 123.490 121.223 0.014 0.000 2.769 271 L HA 0.108 4.447 4.340 -0.000 0.000 0.240 271 L C 0.347 177.225 176.870 0.014 0.000 1.163 271 L CA -0.073 54.776 54.840 0.015 0.000 0.962 271 L CB 0.057 42.127 42.059 0.019 0.000 1.258 271 L HN 0.580 nan 8.230 nan 0.000 0.513 272 D N 0.729 121.136 120.400 0.011 0.000 2.172 272 D HA -0.238 4.402 4.640 -0.000 0.000 0.196 272 D C 2.323 178.627 176.300 0.007 0.000 0.999 272 D CA 1.923 55.927 54.000 0.007 0.000 0.856 272 D CB 0.004 40.809 40.800 0.007 0.000 0.934 272 D HN 0.364 nan 8.370 nan 0.000 0.453 273 S N -0.337 115.371 115.700 0.014 0.000 2.447 273 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 273 S C 0.870 175.485 174.600 0.024 0.000 1.006 273 S CA -0.109 58.104 58.200 0.023 0.000 0.957 273 S CB -0.292 62.927 63.200 0.031 0.000 0.773 273 S HN 0.185 nan 8.310 nan 0.000 0.507 274 L N 2.783 124.017 121.223 0.017 0.000 2.385 274 L HA 0.411 4.751 4.340 -0.000 0.000 0.281 274 L C 0.955 177.808 176.870 -0.028 0.000 1.106 274 L CA -0.095 54.755 54.840 0.017 0.000 0.856 274 L CB 0.455 42.530 42.059 0.027 0.000 1.186 274 L HN -0.003 nan 8.230 nan 0.000 0.453 275 R N 3.132 123.586 120.500 -0.077 0.000 2.279 275 R HA 0.300 4.640 4.340 -0.000 0.000 0.195 275 R C -0.376 175.599 176.300 -0.542 0.000 0.905 275 R CA 0.268 56.187 56.100 -0.301 0.000 1.044 275 R CB 0.152 30.215 30.300 -0.395 0.000 1.056 275 R HN 0.631 nan 8.270 nan 0.000 0.535 276 H N -0.043 119.044 119.070 0.028 0.000 2.924 276 H HA 0.359 4.915 4.556 -0.000 0.000 0.333 276 H C -0.950 174.382 175.328 0.006 0.000 0.979 276 H CA -0.611 55.442 56.048 0.009 0.000 1.326 276 H CB 2.384 32.145 29.762 -0.002 0.000 1.600 276 H HN -0.282 nan 8.280 nan 0.000 0.520 277 V N 4.057 124.026 119.914 0.092 0.000 2.350 277 V HA 0.273 4.393 4.120 -0.000 0.000 0.285 277 V C 0.161 176.259 176.094 0.007 0.000 1.014 277 V CA -0.346 62.007 62.300 0.088 0.000 0.831 277 V CB 1.577 33.477 31.823 0.127 0.000 1.000 277 V HN 0.765 nan 8.190 nan 0.000 0.433 278 T N 6.019 120.477 114.554 -0.160 0.000 2.863 278 T HA 0.875 5.225 4.350 -0.000 0.000 0.285 278 T C -0.751 173.517 174.700 -0.720 0.000 1.009 278 T CA -0.344 61.385 62.100 -0.619 0.000 0.989 278 T CB 1.449 69.812 68.868 -0.841 0.000 1.004 278 T HN 0.552 nan 8.240 nan 0.000 0.455 279 F N -1.048 118.546 119.950 -0.593 0.000 2.678 279 F HA 0.767 5.294 4.527 -0.000 0.000 0.308 279 F C -0.776 175.015 175.800 -0.015 0.000 1.118 279 F CA -1.854 55.996 58.000 -0.250 0.000 0.959 279 F CB 0.832 39.776 39.000 -0.094 0.000 1.305 279 F HN 0.608 nan 8.300 nan 0.000 0.443 280 A N 0.992 124.046 122.820 0.390 0.000 2.650 280 A HA 0.578 4.898 4.320 -0.000 0.000 0.320 280 A C 0.726 178.504 177.584 0.324 0.000 1.466 280 A CA 0.116 52.335 52.037 0.302 0.000 1.099 280 A CB -0.770 18.383 19.000 0.256 0.000 1.136 280 A HN 1.402 nan 8.150 nan 0.000 0.532 281 G N 1.114 110.153 108.800 0.399 0.000 3.434 281 G HA2 0.333 4.292 3.960 -0.000 0.000 0.258 281 G HA3 0.333 4.292 3.960 -0.000 0.000 0.258 281 G C 1.122 176.151 174.900 0.215 0.000 1.128 281 G CA 0.743 46.057 45.100 0.357 0.000 0.792 281 G HN 0.939 nan 8.290 nan 0.000 0.539 282 A N 1.005 123.943 122.820 0.197 0.000 1.927 282 A HA -0.139 4.180 4.320 -0.000 0.000 0.220 282 A C 2.507 180.157 177.584 0.109 0.000 1.185 282 A CA 2.544 54.675 52.037 0.156 0.000 0.639 282 A CB -0.688 18.433 19.000 0.201 0.000 0.820 282 A HN 0.591 nan 8.150 nan 0.000 0.451 283 T N -3.649 110.965 114.554 0.100 0.000 3.107 283 T HA 0.374 4.723 4.350 -0.000 0.000 0.249 283 T C 0.579 175.308 174.700 0.049 0.000 1.096 283 T CA 0.187 62.328 62.100 0.068 0.000 1.012 283 T CB -0.397 68.507 68.868 0.060 0.000 0.977 283 T HN 0.356 nan 8.240 nan 0.000 0.527 284 M N 3.320 122.950 119.600 0.050 0.000 2.184 284 M HA 0.325 4.805 4.480 -0.000 0.000 0.351 284 M C -2.463 173.848 176.300 0.017 0.000 1.395 284 M CA -2.170 53.136 55.300 0.010 0.000 1.117 284 M CB 0.785 33.367 32.600 -0.030 0.000 1.708 284 M HN -0.067 nan 8.290 nan 0.000 0.468 285 P HA 0.092 nan 4.420 nan 0.000 0.272 285 P C -0.331 176.981 177.300 0.020 0.000 1.223 285 P CA -0.176 62.937 63.100 0.022 0.000 0.784 285 P CB 0.493 32.206 31.700 0.021 0.000 0.923 286 D N 1.270 121.692 120.400 0.036 0.000 2.149 286 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 286 D C 1.893 178.216 176.300 0.038 0.000 1.001 286 D CA 2.135 56.161 54.000 0.044 0.000 0.849 286 D CB -0.669 40.159 40.800 0.048 0.000 0.939 286 D HN 0.408 nan 8.370 nan 0.000 0.449 287 A N 0.375 123.215 122.820 0.033 0.000 1.902 287 A HA -0.127 4.192 4.320 -0.000 0.000 0.217 287 A C 2.549 180.141 177.584 0.014 0.000 1.181 287 A CA 1.256 53.311 52.037 0.030 0.000 0.623 287 A CB -0.737 18.283 19.000 0.033 0.000 0.818 287 A HN 0.154 nan 8.150 nan 0.000 0.443 288 V N -0.229 119.679 119.914 -0.009 0.000 2.295 288 V HA -0.240 3.879 4.120 -0.000 0.000 0.246 288 V C 2.502 178.544 176.094 -0.086 0.000 1.049 288 V CA 2.003 64.276 62.300 -0.046 0.000 1.024 288 V CB -0.806 30.975 31.823 -0.071 0.000 0.648 288 V HN 0.589 nan 8.190 nan 0.000 0.447 289 L N 0.362 121.533 121.223 -0.087 0.000 2.042 289 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 289 L C 2.384 179.245 176.870 -0.016 0.000 1.076 289 L CA 2.271 57.044 54.840 -0.112 0.000 0.749 289 L CB -0.746 41.306 42.059 -0.011 0.000 0.893 289 L HN 0.381 nan 8.230 nan 0.000 0.432 290 E N -0.622 119.614 120.200 0.060 0.000 2.058 290 E HA -0.229 4.120 4.350 -0.000 0.000 0.194 290 E C 2.230 178.861 176.600 0.053 0.000 0.997 290 E CA 2.083 58.540 56.400 0.095 0.000 0.801 290 E CB -0.472 29.267 29.700 0.064 0.000 0.746 290 E HN 0.696 nan 8.360 nan 0.000 0.450 291 T N -2.182 112.394 114.554 0.036 0.000 2.867 291 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 291 T C 1.975 176.703 174.700 0.046 0.000 1.057 291 T CA 1.249 63.398 62.100 0.082 0.000 1.136 291 T CB -0.616 68.341 68.868 0.148 0.000 0.874 291 T HN 0.010 nan 8.240 nan 0.000 0.466 292 V N 1.657 121.542 119.914 -0.047 0.000 2.295 292 V HA -0.196 3.923 4.120 -0.000 0.000 0.246 292 V C 2.860 178.901 176.094 -0.088 0.000 1.049 292 V CA 1.938 64.170 62.300 -0.113 0.000 1.024 292 V CB -0.869 30.781 31.823 -0.289 0.000 0.648 292 V HN 0.594 nan 8.190 nan 0.000 0.447 293 H N -0.080 118.979 119.070 -0.018 0.000 2.353 293 H HA -0.120 4.436 4.556 -0.000 0.000 0.300 293 H C 2.515 177.797 175.328 -0.076 0.000 1.090 293 H CA 1.677 57.713 56.048 -0.021 0.000 1.327 293 H CB -0.081 29.672 29.762 -0.014 0.000 1.383 293 H HN 0.483 nan 8.280 nan 0.000 0.508 294 Q N -0.279 119.498 119.800 -0.039 0.000 2.123 294 Q HA -0.086 4.254 4.340 -0.000 0.000 0.199 294 Q C 1.433 177.216 176.000 -0.363 0.000 0.966 294 Q CA 0.979 56.612 55.803 -0.283 0.000 0.845 294 Q CB 0.219 28.628 28.738 -0.548 0.000 0.907 294 Q HN 0.681 nan 8.270 nan 0.000 0.439 295 H N -1.558 117.518 119.070 0.009 0.000 2.874 295 H HA 0.320 4.876 4.556 -0.000 0.000 0.264 295 H C 0.216 175.535 175.328 -0.013 0.000 1.007 295 H CA 0.054 56.094 56.048 -0.014 0.000 1.207 295 H CB 1.083 30.821 29.762 -0.039 0.000 1.487 295 H HN 0.036 nan 8.280 nan 0.000 0.505 296 L N 3.148 124.420 121.223 0.082 0.000 2.334 296 L HA 0.370 4.710 4.340 -0.000 0.000 0.276 296 L C -2.125 174.770 176.870 0.041 0.000 1.014 296 L CA -1.841 53.031 54.840 0.054 0.000 0.815 296 L CB 2.382 44.465 42.059 0.042 0.000 1.268 296 L HN -0.049 nan 8.230 nan 0.000 0.428 297 P HA 0.488 nan 4.420 nan 0.000 0.297 297 P C -0.185 177.126 177.300 0.018 0.000 1.307 297 P CA -0.074 63.040 63.100 0.024 0.000 0.773 297 P CB 1.258 32.967 31.700 0.015 0.000 1.265 298 G N -0.977 107.820 108.800 -0.006 0.000 2.746 298 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.685 298 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.685 298 G C -0.784 174.107 174.900 -0.016 0.000 1.350 298 G CA -0.565 44.508 45.100 -0.044 0.000 0.837 298 G HN 0.758 nan 8.290 nan 0.000 0.564 299 E N 0.398 120.564 120.200 -0.056 0.000 2.290 299 E HA 0.309 4.659 4.350 -0.000 0.000 0.277 299 E C 0.087 176.718 176.600 0.052 0.000 1.035 299 E CA -0.568 55.841 56.400 0.015 0.000 0.873 299 E CB 0.315 30.026 29.700 0.019 0.000 1.029 299 E HN 0.293 nan 8.360 nan 0.000 0.419 300 K N 3.189 123.642 120.400 0.087 0.000 2.258 300 K HA 0.325 4.644 4.320 -0.000 0.000 0.284 300 K C -0.772 175.805 176.600 -0.039 0.000 1.051 300 K CA -0.621 55.712 56.287 0.077 0.000 0.923 300 K CB 1.548 34.133 32.500 0.142 0.000 1.046 300 K HN 0.219 nan 8.250 nan 0.000 0.474 301 V N 2.785 122.535 119.914 -0.274 0.000 2.525 301 V HA 0.185 4.305 4.120 -0.000 0.000 0.299 301 V C -0.247 175.385 176.094 -0.769 0.000 1.034 301 V CA -1.124 60.987 62.300 -0.316 0.000 0.863 301 V CB 1.864 33.630 31.823 -0.095 0.000 0.999 301 V HN 0.652 nan 8.190 nan 0.000 0.423 302 N N 4.571 122.936 118.700 -0.559 0.000 2.499 302 N HA 0.590 5.330 4.740 -0.000 0.000 0.281 302 N C -0.666 174.770 175.510 -0.124 0.000 1.098 302 N CA -0.333 52.424 53.050 -0.488 0.000 0.979 302 N CB 1.149 39.569 38.487 -0.113 0.000 1.121 302 N HN 0.809 nan 8.380 nan 0.000 0.466 303 I N -0.188 120.363 120.570 -0.032 0.000 2.785 303 I HA 0.525 4.695 4.170 -0.000 0.000 0.302 303 I C -1.527 174.714 176.117 0.207 0.000 1.069 303 I CA -1.124 60.268 61.300 0.154 0.000 1.045 303 I CB 2.021 40.153 38.000 0.219 0.000 1.236 303 I HN 0.427 nan 8.210 nan 0.000 0.429 304 Y N 3.733 124.088 120.300 0.090 0.000 2.352 304 Y HA 0.840 5.390 4.550 -0.000 0.000 0.339 304 Y C -0.151 175.765 175.900 0.027 0.000 0.992 304 Y CA -0.061 58.078 58.100 0.065 0.000 1.100 304 Y CB 1.714 40.202 38.460 0.046 0.000 1.192 304 Y HN 0.951 nan 8.280 nan 0.000 0.458 305 G N 2.273 110.729 108.800 -0.575 0.000 2.649 305 G HA2 0.560 4.519 3.960 -0.000 0.000 0.290 305 G HA3 0.560 4.519 3.960 -0.000 0.000 0.290 305 G C -1.497 173.110 174.900 -0.487 0.000 1.426 305 G CA -0.575 44.262 45.100 -0.439 0.000 0.794 305 G HN 0.793 nan 8.290 nan 0.000 0.483 306 T N -3.490 110.865 114.554 -0.332 0.000 2.883 306 T HA 0.551 4.901 4.350 -0.000 0.000 0.296 306 T C 1.002 175.508 174.700 -0.323 0.000 1.117 306 T CA 0.179 62.109 62.100 -0.283 0.000 1.006 306 T CB 1.469 70.225 68.868 -0.187 0.000 1.191 306 T HN 0.336 nan 8.240 nan 0.000 0.508 307 T N 1.026 115.388 114.554 -0.320 0.000 2.720 307 T HA -0.100 4.249 4.350 -0.000 0.000 0.268 307 T C 1.600 176.031 174.700 -0.449 0.000 1.037 307 T CA 2.091 63.983 62.100 -0.346 0.000 1.144 307 T CB -0.384 68.337 68.868 -0.245 0.000 0.864 307 T HN 0.773 nan 8.240 nan 0.000 0.444 308 E N 0.938 120.740 120.200 -0.664 0.000 2.106 308 E HA 0.130 4.479 4.350 -0.000 0.000 0.192 308 E C 1.782 177.962 176.600 -0.700 0.000 0.984 308 E CA 1.098 56.832 56.400 -1.110 0.000 0.806 308 E CB -0.030 28.430 29.700 -2.067 0.000 0.750 308 E HN 0.472 nan 8.360 nan 0.000 0.458 309 A N -1.084 121.406 122.820 -0.550 0.000 2.603 309 A HA 0.453 4.773 4.320 -0.000 0.000 0.277 309 A C 0.603 178.017 177.584 -0.282 0.000 1.158 309 A CA -0.031 51.814 52.037 -0.320 0.000 0.962 309 A CB -0.025 18.873 19.000 -0.171 0.000 1.189 309 A HN 0.110 nan 8.150 nan 0.000 0.552 310 M N -0.490 118.905 119.600 -0.341 0.000 7.319 310 M HA -0.296 4.184 4.480 -0.000 0.000 0.313 310 M C 0.049 176.123 176.300 -0.377 0.000 0.480 310 M CA 1.976 57.048 55.300 -0.381 0.000 1.311 310 M CB -1.063 31.281 32.600 -0.427 0.000 0.421 310 M HN 0.613 nan 8.290 nan 0.000 0.852 311 N N 0.029 118.406 118.700 -0.538 0.000 2.458 311 N HA 0.468 5.208 4.740 -0.000 0.000 0.270 311 N C -0.267 175.160 175.510 -0.139 0.000 1.102 311 N CA 0.854 53.618 53.050 -0.476 0.000 0.967 311 N CB 0.887 38.798 38.487 -0.959 0.000 1.078 311 N HN 0.468 nan 8.380 nan 0.000 0.471 312 S N 2.038 117.766 115.700 0.046 0.000 2.593 312 S HA 0.376 4.846 4.470 -0.000 0.000 0.235 312 S C -0.327 174.404 174.600 0.218 0.000 1.059 312 S CA -0.186 58.118 58.200 0.174 0.000 0.953 312 S CB 0.348 63.715 63.200 0.278 0.000 0.897 312 S HN 0.470 nan 8.310 nan 0.000 0.507 313 L N 1.268 122.657 121.223 0.276 0.000 2.465 313 L HA 0.661 5.000 4.340 -0.000 0.000 0.257 313 L C -1.201 175.887 176.870 0.363 0.000 0.988 313 L CA -1.210 53.791 54.840 0.268 0.000 0.827 313 L CB 2.028 44.156 42.059 0.116 0.000 1.397 313 L HN 0.296 nan 8.230 nan 0.000 0.410 314 Y N 1.299 121.655 120.300 0.093 0.000 2.725 314 Y HA 0.886 5.436 4.550 -0.000 0.000 0.333 314 Y C -1.504 174.427 175.900 0.051 0.000 1.242 314 Y CA -2.025 56.120 58.100 0.075 0.000 1.059 314 Y CB 1.908 40.426 38.460 0.097 0.000 1.306 314 Y HN 0.561 nan 8.280 nan 0.000 0.454 315 M N 2.665 122.096 119.600 -0.282 0.000 2.265 315 M HA 0.442 4.922 4.480 -0.000 0.000 0.262 315 M C -1.923 174.258 176.300 -0.199 0.000 1.026 315 M CA -0.692 54.398 55.300 -0.351 0.000 0.987 315 M CB 1.798 34.312 32.600 -0.143 0.000 1.937 315 M HN 0.742 nan 8.290 nan 0.000 0.481 316 R N 3.630 124.005 120.500 -0.209 0.000 2.537 316 R HA 0.230 4.569 4.340 -0.000 0.000 0.280 316 R C -0.276 176.024 176.300 0.000 0.000 1.058 316 R CA -0.059 56.019 56.100 -0.036 0.000 1.057 316 R CB 0.411 30.716 30.300 0.008 0.000 0.973 316 R HN 0.721 nan 8.270 nan 0.000 0.438 317 Q N 0.430 120.269 119.800 0.064 0.000 2.437 317 Q HA -0.145 4.195 4.340 -0.000 0.000 0.354 317 Q C -2.092 173.998 176.000 0.149 0.000 1.402 317 Q CA 0.528 56.419 55.803 0.148 0.000 1.020 317 Q CB -1.309 27.482 28.738 0.090 0.000 1.220 317 Q HN 0.534 nan 8.270 nan 0.000 0.368 318 P HA 0.042 nan 4.420 nan 0.000 0.271 318 P C 0.363 177.804 177.300 0.235 0.000 1.218 318 P CA 0.062 63.263 63.100 0.168 0.000 0.780 318 P CB 0.784 32.594 31.700 0.184 0.000 0.901 319 K N -0.008 120.469 120.400 0.128 0.000 2.335 319 K HA 0.107 4.427 4.320 -0.000 0.000 0.195 319 K C 0.862 177.523 176.600 0.101 0.000 1.058 319 K CA 0.765 57.110 56.287 0.097 0.000 0.988 319 K CB 0.363 32.885 32.500 0.037 0.000 0.880 319 K HN 0.650 nan 8.250 nan 0.000 0.513 320 T N -4.157 110.453 114.554 0.093 0.000 2.883 320 T HA 0.382 4.731 4.350 -0.000 0.000 0.296 320 T C 0.908 175.670 174.700 0.103 0.000 1.117 320 T CA -0.739 61.411 62.100 0.083 0.000 1.006 320 T CB 1.833 70.732 68.868 0.052 0.000 1.191 320 T HN 0.019 nan 8.240 nan 0.000 0.508 321 G N -0.045 108.817 108.800 0.102 0.000 2.623 321 G HA2 0.069 4.028 3.960 -0.000 0.000 0.214 321 G HA3 0.069 4.028 3.960 -0.000 0.000 0.214 321 G C 1.221 176.180 174.900 0.098 0.000 1.138 321 G CA 0.889 46.068 45.100 0.132 0.000 0.794 321 G HN 1.000 nan 8.290 nan 0.000 0.535 322 T N -2.176 112.411 114.554 0.055 0.000 3.060 322 T HA 0.225 4.575 4.350 -0.000 0.000 0.249 322 T C 0.613 175.302 174.700 -0.019 0.000 1.079 322 T CA -0.054 62.057 62.100 0.018 0.000 1.013 322 T CB 0.408 69.273 68.868 -0.005 0.000 0.975 322 T HN 0.326 nan 8.240 nan 0.000 0.518 323 E N 0.988 121.186 120.200 -0.004 0.000 2.092 323 E HA 0.570 4.919 4.350 -0.000 0.000 0.271 323 E C -0.919 175.663 176.600 -0.029 0.000 0.919 323 E CA -0.545 55.840 56.400 -0.026 0.000 0.760 323 E CB 0.656 30.350 29.700 -0.010 0.000 1.106 323 E HN 0.363 nan 8.360 nan 0.000 0.408 324 M N 2.181 121.747 119.600 -0.055 0.000 2.716 324 M HA 0.745 5.225 4.480 -0.000 0.000 0.278 324 M C -1.312 174.960 176.300 -0.047 0.000 1.281 324 M CA -0.949 54.320 55.300 -0.052 0.000 0.814 324 M CB 2.465 35.063 32.600 -0.003 0.000 1.719 324 M HN 0.526 nan 8.290 nan 0.000 0.457 325 A N 1.038 123.849 122.820 -0.016 0.000 2.539 325 A HA 0.908 5.228 4.320 -0.000 0.000 0.296 325 A C -2.897 174.807 177.584 0.200 0.000 1.073 325 A CA -1.500 50.579 52.037 0.071 0.000 0.700 325 A CB 1.419 20.462 19.000 0.071 0.000 1.296 325 A HN 0.433 nan 8.150 nan 0.000 0.405 326 P HA 0.274 nan 4.420 nan 0.000 0.268 326 P C 0.323 177.821 177.300 0.330 0.000 1.204 326 P CA 0.608 63.862 63.100 0.257 0.000 0.768 326 P CB 1.095 32.925 31.700 0.217 0.000 0.842 327 G N 2.387 111.363 108.800 0.293 0.000 2.795 327 G HA2 0.398 4.358 3.960 -0.000 0.000 0.267 327 G HA3 0.398 4.358 3.960 -0.000 0.000 0.267 327 G C -0.972 173.990 174.900 0.104 0.000 1.362 327 G CA -0.852 44.353 45.100 0.176 0.000 1.048 327 G HN 0.397 nan 8.290 nan 0.000 0.547 328 F N -0.673 119.212 119.950 -0.108 0.000 2.628 328 F HA 0.288 4.814 4.527 -0.000 0.000 0.362 328 F C 1.027 176.720 175.800 -0.179 0.000 1.148 328 F CA 0.963 58.817 58.000 -0.244 0.000 1.352 328 F CB 0.072 38.800 39.000 -0.453 0.000 1.081 328 F HN 0.446 nan 8.300 nan 0.000 0.605 329 F N -0.015 119.564 119.950 -0.618 0.000 2.511 329 F HA -0.309 4.218 4.527 -0.000 0.000 0.625 329 F C 0.999 176.675 175.800 -0.206 0.000 0.499 329 F CA 0.770 58.562 58.000 -0.347 0.000 1.029 329 F CB -2.057 36.893 39.000 -0.083 0.000 1.823 329 F HN 0.355 nan 8.300 nan 0.000 0.261 330 S N 0.797 116.520 115.700 0.038 0.000 2.586 330 S HA 0.504 4.974 4.470 -0.000 0.000 0.274 330 S C -0.128 174.501 174.600 0.049 0.000 1.281 330 S CA -0.532 57.705 58.200 0.062 0.000 1.035 330 S CB 2.184 65.452 63.200 0.113 0.000 0.962 330 S HN 0.318 nan 8.310 nan 0.000 0.512 331 E N 1.453 121.695 120.200 0.070 0.000 2.278 331 E HA 0.529 4.878 4.350 -0.000 0.000 0.272 331 E C -1.460 175.304 176.600 0.273 0.000 0.890 331 E CA -0.724 55.753 56.400 0.128 0.000 0.770 331 E CB 1.403 31.122 29.700 0.033 0.000 1.212 331 E HN 0.510 nan 8.360 nan 0.000 0.415 332 V N 1.200 121.329 119.914 0.360 0.000 2.962 332 V HA 0.792 4.912 4.120 -0.000 0.000 0.313 332 V C -0.742 175.595 176.094 0.406 0.000 1.099 332 V CA -0.826 61.711 62.300 0.395 0.000 0.971 332 V CB 1.992 33.951 31.823 0.226 0.000 1.028 332 V HN 0.720 nan 8.190 nan 0.000 0.430 333 R N 2.260 122.910 120.500 0.249 0.000 2.836 333 R HA 0.764 5.104 4.340 -0.000 0.000 0.269 333 R C -1.488 174.835 176.300 0.037 0.000 1.010 333 R CA -0.865 55.313 56.100 0.131 0.000 0.930 333 R CB 2.638 32.808 30.300 -0.217 0.000 1.218 333 R HN 0.795 nan 8.270 nan 0.000 0.473 334 I N 2.469 123.095 120.570 0.092 0.000 2.410 334 I HA 0.345 4.515 4.170 -0.000 0.000 0.286 334 I C -0.303 175.804 176.117 -0.016 0.000 1.009 334 I CA -0.928 60.359 61.300 -0.023 0.000 1.111 334 I CB 1.837 39.783 38.000 -0.090 0.000 1.262 334 I HN 0.313 nan 8.210 nan 0.000 0.443 335 V N 2.880 122.751 119.914 -0.071 0.000 2.919 335 V HA 0.574 4.693 4.120 -0.000 0.000 0.316 335 V C 0.200 176.264 176.094 -0.050 0.000 1.077 335 V CA -1.208 61.047 62.300 -0.076 0.000 0.977 335 V CB 1.736 33.477 31.823 -0.137 0.000 1.039 335 V HN 0.837 nan 8.190 nan 0.000 0.441 336 R N 1.793 122.269 120.500 -0.040 0.000 2.485 336 R HA 0.119 4.458 4.340 -0.000 0.000 0.304 336 R C -0.074 176.210 176.300 -0.028 0.000 0.934 336 R CA 0.025 56.109 56.100 -0.026 0.000 1.102 336 R CB -0.249 30.037 30.300 -0.024 0.000 0.906 336 R HN 0.766 nan 8.270 nan 0.000 0.407 337 I N 4.818 125.378 120.570 -0.016 0.000 2.828 337 I HA -0.145 4.025 4.170 -0.000 0.000 0.292 337 I C 1.501 177.611 176.117 -0.012 0.000 1.206 337 I CA 1.735 63.028 61.300 -0.011 0.000 1.420 337 I CB 0.391 38.393 38.000 0.004 0.000 1.368 337 I HN 1.074 nan 8.210 nan 0.000 0.556 338 G N 4.077 112.868 108.800 -0.015 0.000 2.148 338 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.254 338 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.254 338 G C 0.350 175.240 174.900 -0.016 0.000 0.981 338 G CA -0.039 45.055 45.100 -0.011 0.000 0.670 338 G HN 1.034 nan 8.290 nan 0.000 0.528 339 G N -0.842 107.942 108.800 -0.026 0.000 2.705 339 G HA2 0.801 4.761 3.960 -0.000 0.000 0.299 339 G HA3 0.801 4.761 3.960 -0.000 0.000 0.299 339 G C 0.649 175.524 174.900 -0.042 0.000 1.315 339 G CA 0.081 45.162 45.100 -0.031 0.000 1.045 339 G HN 1.153 nan 8.290 nan 0.000 0.517 340 G N -1.754 107.020 108.800 -0.044 0.000 2.606 340 G HA2 0.422 4.382 3.960 -0.000 0.000 0.252 340 G HA3 0.422 4.382 3.960 -0.000 0.000 0.252 340 G C 1.323 176.161 174.900 -0.104 0.000 1.206 340 G CA 0.330 45.399 45.100 -0.052 0.000 0.861 340 G HN 1.305 nan 8.290 nan 0.000 0.561 341 V N -1.878 117.956 119.914 -0.134 0.000 3.026 341 V HA -0.043 4.077 4.120 -0.000 0.000 0.265 341 V C 1.213 177.092 176.094 -0.357 0.000 1.121 341 V CA 2.068 64.180 62.300 -0.313 0.000 1.142 341 V CB -0.288 31.292 31.823 -0.405 0.000 0.730 341 V HN 0.460 nan 8.190 nan 0.000 0.503 342 D N 0.350 120.639 120.400 -0.185 0.000 2.349 342 D HA 0.089 4.729 4.640 -0.000 0.000 0.214 342 D C 0.875 177.112 176.300 -0.106 0.000 1.063 342 D CA 0.259 54.176 54.000 -0.138 0.000 0.847 342 D CB 0.077 40.842 40.800 -0.059 0.000 0.933 342 D HN 0.663 nan 8.370 nan 0.000 0.513 343 E N 1.622 121.760 120.200 -0.103 0.000 2.148 343 E HA 0.051 4.401 4.350 -0.000 0.000 0.308 343 E C 0.311 176.871 176.600 -0.067 0.000 1.278 343 E CA -0.208 56.150 56.400 -0.069 0.000 1.368 343 E CB 0.317 29.984 29.700 -0.055 0.000 1.229 343 E HN 0.125 nan 8.360 nan 0.000 0.494 344 I N 2.234 122.766 120.570 -0.063 0.000 2.775 344 I HA -0.077 4.093 4.170 -0.000 0.000 0.290 344 I C 1.063 177.177 176.117 -0.004 0.000 1.203 344 I CA 0.257 61.537 61.300 -0.033 0.000 1.433 344 I CB -0.255 37.730 38.000 -0.026 0.000 1.354 344 I HN 0.043 nan 8.210 nan 0.000 0.579 345 V N 3.563 123.495 119.914 0.029 0.000 2.834 345 V HA 0.657 4.777 4.120 -0.000 0.000 0.301 345 V C 0.686 176.810 176.094 0.049 0.000 1.066 345 V CA -1.045 61.279 62.300 0.040 0.000 1.052 345 V CB 0.952 32.809 31.823 0.056 0.000 1.021 345 V HN 0.880 nan 8.190 nan 0.000 0.480 346 A N 3.093 125.933 122.820 0.033 0.000 2.462 346 A HA 0.318 4.637 4.320 -0.000 0.000 0.243 346 A C 0.458 178.077 177.584 0.058 0.000 1.076 346 A CA -0.214 51.839 52.037 0.027 0.000 0.773 346 A CB -0.839 18.169 19.000 0.015 0.000 1.010 346 A HN 1.037 nan 8.150 nan 0.000 0.493 347 N N 0.318 119.044 118.700 0.044 0.000 2.407 347 N HA 0.358 5.098 4.740 -0.000 0.000 0.250 347 N C 1.288 176.852 175.510 0.090 0.000 1.236 347 N CA 1.630 54.731 53.050 0.084 0.000 0.879 347 N CB 0.374 38.869 38.487 0.014 0.000 1.088 347 N HN 1.173 nan 8.380 nan 0.000 0.450 348 G N -0.120 108.758 108.800 0.130 0.000 2.205 348 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.261 348 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.261 348 G C -0.159 174.785 174.900 0.074 0.000 0.980 348 G CA 0.008 45.164 45.100 0.092 0.000 0.632 348 G HN 0.542 nan 8.290 nan 0.000 0.533 349 E N 1.031 121.276 120.200 0.076 0.000 2.242 349 E HA 0.428 4.777 4.350 -0.000 0.000 0.275 349 E C 0.209 176.841 176.600 0.053 0.000 1.002 349 E CA -0.450 55.984 56.400 0.057 0.000 0.841 349 E CB 1.049 30.775 29.700 0.044 0.000 1.109 349 E HN 0.595 nan 8.360 nan 0.000 0.394 350 E N 0.311 120.538 120.200 0.044 0.000 2.331 350 E HA 0.530 4.880 4.350 -0.000 0.000 0.272 350 E C 0.026 176.638 176.600 0.019 0.000 1.036 350 E CA -0.372 56.047 56.400 0.032 0.000 0.864 350 E CB 1.334 31.082 29.700 0.080 0.000 1.035 350 E HN 0.592 nan 8.360 nan 0.000 0.408 351 G N 1.450 110.242 108.800 -0.012 0.000 2.619 351 G HA2 0.151 4.111 3.960 -0.000 0.000 0.305 351 G HA3 0.151 4.111 3.960 -0.000 0.000 0.305 351 G C -1.421 173.450 174.900 -0.048 0.000 1.330 351 G CA -0.717 44.371 45.100 -0.019 0.000 0.789 351 G HN 0.495 nan 8.290 nan 0.000 0.487 352 E N -0.088 120.081 120.200 -0.051 0.000 2.289 352 E HA 0.354 4.704 4.350 -0.000 0.000 0.278 352 E C -0.607 175.936 176.600 -0.096 0.000 1.032 352 E CA -0.683 55.678 56.400 -0.066 0.000 0.854 352 E CB 1.177 30.844 29.700 -0.054 0.000 1.046 352 E HN 0.364 nan 8.360 nan 0.000 0.409 353 L N 7.201 128.356 121.223 -0.114 0.000 2.418 353 L HA 0.247 4.587 4.340 -0.000 0.000 0.274 353 L C -0.507 176.329 176.870 -0.057 0.000 1.135 353 L CA 0.360 55.125 54.840 -0.125 0.000 0.870 353 L CB 0.214 42.158 42.059 -0.191 0.000 1.154 353 L HN 0.485 nan 8.230 nan 0.000 0.462 354 I N 4.251 124.812 120.570 -0.015 0.000 2.785 354 I HA 0.828 4.998 4.170 -0.000 0.000 0.302 354 I C -0.936 175.378 176.117 0.327 0.000 1.069 354 I CA -1.030 60.327 61.300 0.094 0.000 1.045 354 I CB 2.263 40.269 38.000 0.010 0.000 1.236 354 I HN 0.491 nan 8.210 nan 0.000 0.429 355 V N 1.922 122.127 119.914 0.487 0.000 2.789 355 V HA 0.902 5.022 4.120 -0.000 0.000 0.311 355 V C 0.245 176.545 176.094 0.343 0.000 1.073 355 V CA -0.486 62.090 62.300 0.459 0.000 0.921 355 V CB 1.185 33.196 31.823 0.314 0.000 1.009 355 V HN 1.194 nan 8.190 nan 0.000 0.426 356 A N 3.454 126.214 122.820 -0.100 0.000 2.498 356 A HA 0.695 5.015 4.320 -0.000 0.000 0.239 356 A C 0.793 178.236 177.584 -0.236 0.000 1.068 356 A CA 0.244 51.900 52.037 -0.635 0.000 0.766 356 A CB 0.317 18.859 19.000 -0.762 0.000 1.003 356 A HN 2.374 nan 8.150 nan 0.000 0.497 357 A N 3.261 125.937 122.820 -0.239 0.000 2.798 357 A HA 0.545 4.865 4.320 -0.000 0.000 0.316 357 A C 0.889 178.384 177.584 -0.148 0.000 1.506 357 A CA 0.123 52.100 52.037 -0.100 0.000 1.162 357 A CB -0.808 18.179 19.000 -0.021 0.000 1.138 357 A HN 1.257 nan 8.150 nan 0.000 0.532 358 S N 1.030 116.647 115.700 -0.138 0.000 2.505 358 S HA 0.300 4.769 4.470 -0.000 0.000 0.273 358 S C 0.637 175.165 174.600 -0.120 0.000 1.123 358 S CA -0.148 57.975 58.200 -0.129 0.000 1.006 358 S CB 0.008 63.139 63.200 -0.116 0.000 1.243 358 S HN 0.438 nan 8.310 nan 0.000 0.498 359 D N 1.883 122.211 120.400 -0.119 0.000 2.158 359 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 359 D C 2.136 178.332 176.300 -0.174 0.000 0.995 359 D CA 1.888 55.809 54.000 -0.131 0.000 0.846 359 D CB -0.587 40.135 40.800 -0.130 0.000 0.941 359 D HN 0.600 nan 8.370 nan 0.000 0.456 360 S N -0.372 115.195 115.700 -0.222 0.000 2.527 360 S HA 0.220 4.690 4.470 -0.000 0.000 0.222 360 S C 1.005 175.476 174.600 -0.215 0.000 0.985 360 S CA 0.060 58.099 58.200 -0.269 0.000 0.921 360 S CB 0.071 63.070 63.200 -0.336 0.000 0.772 360 S HN 0.221 nan 8.310 nan 0.000 0.529 361 A N 2.157 124.893 122.820 -0.140 0.000 2.371 361 A HA 0.545 4.865 4.320 -0.000 0.000 0.257 361 A C 0.277 177.868 177.584 0.012 0.000 1.089 361 A CA -0.920 51.082 52.037 -0.058 0.000 0.794 361 A CB -0.337 18.653 19.000 -0.017 0.000 1.029 361 A HN 0.692 nan 8.150 nan 0.000 0.488 362 F N 1.155 120.946 119.950 -0.265 0.000 2.586 362 F HA 0.347 4.874 4.527 -0.000 0.000 0.335 362 F C 1.106 176.788 175.800 -0.197 0.000 1.210 362 F CA -0.277 57.586 58.000 -0.228 0.000 1.359 362 F CB 0.503 39.329 39.000 -0.290 0.000 1.142 362 F HN 0.350 nan 8.300 nan 0.000 0.606 363 V N -1.001 118.658 119.914 -0.425 0.000 3.621 363 V HA 0.699 4.819 4.120 -0.000 0.000 0.285 363 V C 0.541 176.224 176.094 -0.684 0.000 1.346 363 V CA 0.333 62.338 62.300 -0.490 0.000 1.104 363 V CB -0.764 30.918 31.823 -0.235 0.000 0.913 363 V HN 1.514 nan 8.190 nan 0.000 0.432 364 G N -0.806 107.365 108.800 -1.049 0.000 2.361 364 G HA2 0.273 4.233 3.960 -0.000 0.000 0.305 364 G HA3 0.273 4.233 3.960 -0.000 0.000 0.305 364 G C -1.797 172.913 174.900 -0.317 0.000 1.367 364 G CA -0.831 43.797 45.100 -0.788 0.000 0.951 364 G HN 0.109 nan 8.290 nan 0.000 0.615 365 Y N -0.080 120.282 120.300 0.105 0.000 2.341 365 Y HA 0.544 5.094 4.550 -0.000 0.000 0.340 365 Y C 0.877 176.799 175.900 0.037 0.000 0.997 365 Y CA -0.847 57.330 58.100 0.128 0.000 1.149 365 Y CB 1.605 40.154 38.460 0.149 0.000 1.171 365 Y HN 0.592 nan 8.280 nan 0.000 0.494 366 L N 5.528 126.845 121.223 0.157 0.000 2.628 366 L HA -0.031 4.309 4.340 -0.000 0.000 0.274 366 L C 0.496 177.417 176.870 0.085 0.000 1.209 366 L CA 0.482 55.368 54.840 0.077 0.000 0.930 366 L CB -0.275 41.807 42.059 0.038 0.000 1.183 366 L HN 0.798 nan 8.230 nan 0.000 0.492 367 N N 3.058 121.795 118.700 0.062 0.000 2.708 367 N HA -0.245 4.495 4.740 -0.000 0.000 0.251 367 N C -0.439 175.110 175.510 0.065 0.000 1.123 367 N CA 1.332 54.414 53.050 0.052 0.000 0.739 367 N CB -0.976 37.536 38.487 0.042 0.000 1.113 367 N HN 0.831 nan 8.380 nan 0.000 0.561 368 Q N -1.083 118.777 119.800 0.101 0.000 3.075 368 Q HA 0.200 4.540 4.340 -0.000 0.000 0.318 368 Q C -1.875 174.208 176.000 0.139 0.000 0.907 368 Q CA -1.367 54.502 55.803 0.110 0.000 0.882 368 Q CB 1.309 30.111 28.738 0.106 0.000 1.386 368 Q HN 0.075 nan 8.270 nan 0.000 0.408 369 P HA -0.248 nan 4.420 nan 0.000 0.218 369 P C 1.434 178.790 177.300 0.094 0.000 1.148 369 P CA 1.233 64.381 63.100 0.079 0.000 0.822 369 P CB 0.303 32.030 31.700 0.045 0.000 0.784 370 Q N 0.492 120.344 119.800 0.087 0.000 2.016 370 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 370 Q C 2.055 178.125 176.000 0.116 0.000 0.978 370 Q CA 2.335 58.186 55.803 0.081 0.000 0.833 370 Q CB -1.661 27.110 28.738 0.054 0.000 0.895 370 Q HN 0.163 nan 8.270 nan 0.000 0.427 371 A N 1.208 124.113 122.820 0.141 0.000 1.933 371 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 371 A C 2.353 180.182 177.584 0.407 0.000 1.175 371 A CA 2.029 54.182 52.037 0.193 0.000 0.628 371 A CB -1.067 17.959 19.000 0.044 0.000 0.814 371 A HN 0.544 nan 8.150 nan 0.000 0.444 372 T N 0.398 115.217 114.554 0.442 0.000 2.684 372 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 372 T C 2.199 177.012 174.700 0.188 0.000 1.036 372 T CA 1.720 64.008 62.100 0.314 0.000 1.148 372 T CB -0.473 68.470 68.868 0.125 0.000 0.863 372 T HN 0.610 nan 8.240 nan 0.000 0.436 373 A N 1.232 124.135 122.820 0.138 0.000 2.019 373 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 373 A C 2.136 179.789 177.584 0.115 0.000 1.164 373 A CA 1.501 53.597 52.037 0.098 0.000 0.644 373 A CB -0.445 18.597 19.000 0.070 0.000 0.805 373 A HN 0.589 nan 8.150 nan 0.000 0.449 374 E N -0.831 119.458 120.200 0.147 0.000 2.230 374 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 374 E C 1.561 178.253 176.600 0.152 0.000 0.987 374 E CA 0.667 57.145 56.400 0.129 0.000 0.841 374 E CB 0.087 29.859 29.700 0.120 0.000 0.783 374 E HN 0.343 nan 8.360 nan 0.000 0.481 375 K N -0.096 120.456 120.400 0.253 0.000 2.313 375 K HA 0.190 4.510 4.320 -0.000 0.000 0.197 375 K C 0.559 177.359 176.600 0.335 0.000 1.061 375 K CA 0.196 56.664 56.287 0.302 0.000 0.980 375 K CB 0.703 33.564 32.500 0.602 0.000 0.888 375 K HN 0.080 nan 8.250 nan 0.000 0.502 376 L N 2.900 124.295 121.223 0.288 0.000 2.301 376 L HA 0.253 4.593 4.340 -0.000 0.000 0.278 376 L C -0.913 176.042 176.870 0.142 0.000 1.022 376 L CA -0.180 54.791 54.840 0.218 0.000 0.854 376 L CB 1.028 43.113 42.059 0.043 0.000 1.226 376 L HN -0.012 nan 8.230 nan 0.000 0.429 377 Q N 3.385 123.290 119.800 0.174 0.000 2.292 377 Q HA 0.238 4.578 4.340 -0.000 0.000 0.270 377 Q C -0.891 175.233 176.000 0.207 0.000 1.024 377 Q CA -0.865 55.026 55.803 0.147 0.000 0.768 377 Q CB 2.240 31.049 28.738 0.118 0.000 1.250 377 Q HN 0.459 nan 8.270 nan 0.000 0.447 378 D N 1.798 122.289 120.400 0.152 0.000 2.772 378 D HA -0.208 4.432 4.640 -0.000 0.000 0.233 378 D C 0.722 177.154 176.300 0.220 0.000 1.143 378 D CA 1.701 55.807 54.000 0.176 0.000 0.700 378 D CB -1.040 39.877 40.800 0.194 0.000 1.076 378 D HN 1.156 nan 8.370 nan 0.000 0.430 379 G N -1.689 107.165 108.800 0.091 0.000 2.157 379 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.248 379 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.248 379 G C -0.167 174.568 174.900 -0.276 0.000 0.979 379 G CA 0.231 45.271 45.100 -0.100 0.000 0.650 379 G HN 0.284 nan 8.290 nan 0.000 0.529 380 W N -0.607 120.732 121.300 0.065 0.000 2.702 380 W HA 0.687 5.346 4.660 -0.000 0.000 0.331 380 W C -0.157 176.454 176.519 0.154 0.000 1.049 380 W CA -1.545 55.855 57.345 0.092 0.000 1.230 380 W CB 0.952 30.445 29.460 0.056 0.000 1.408 380 W HN 0.160 nan 8.180 nan 0.000 0.492 381 Y N 3.774 124.244 120.300 0.285 0.000 2.313 381 Y HA 0.470 5.020 4.550 -0.000 0.000 0.332 381 Y C 0.163 176.205 175.900 0.236 0.000 1.071 381 Y CA -0.999 57.248 58.100 0.245 0.000 1.169 381 Y CB 0.693 39.268 38.460 0.191 0.000 1.192 381 Y HN 0.280 nan 8.280 nan 0.000 0.487 382 R N 4.323 124.412 120.500 -0.686 0.000 2.207 382 R HA 0.141 4.480 4.340 -0.000 0.000 0.334 382 R C 0.918 176.702 176.300 -0.859 0.000 1.013 382 R CA 0.412 56.196 56.100 -0.528 0.000 0.858 382 R CB 0.963 31.129 30.300 -0.224 0.000 1.094 382 R HN 0.930 nan 8.270 nan 0.000 0.457 383 T N -1.743 112.537 114.554 -0.458 0.000 3.055 383 T HA -0.061 4.289 4.350 -0.000 0.000 0.265 383 T C 0.894 175.564 174.700 -0.050 0.000 1.111 383 T CA 0.403 62.392 62.100 -0.186 0.000 1.118 383 T CB 0.047 68.985 68.868 0.116 0.000 0.909 383 T HN 0.565 nan 8.240 nan 0.000 0.501 384 S N 1.021 116.676 115.700 -0.073 0.000 3.476 384 S HA -0.121 4.349 4.470 -0.000 0.000 0.309 384 S C -0.564 174.050 174.600 0.024 0.000 1.222 384 S CA 0.837 59.030 58.200 -0.012 0.000 0.922 384 S CB -1.662 61.544 63.200 0.011 0.000 1.023 384 S HN 0.737 nan 8.310 nan 0.000 0.591 385 D N 0.772 121.188 120.400 0.027 0.000 2.163 385 D HA 0.524 5.164 4.640 -0.000 0.000 0.248 385 D C 0.229 176.512 176.300 -0.030 0.000 1.035 385 D CA -0.355 53.661 54.000 0.026 0.000 0.872 385 D CB 1.508 42.348 40.800 0.066 0.000 1.183 385 D HN 0.114 nan 8.370 nan 0.000 0.445 386 V N 1.012 120.908 119.914 -0.030 0.000 2.546 386 V HA 0.724 4.844 4.120 -0.000 0.000 0.284 386 V C 0.499 176.494 176.094 -0.164 0.000 1.050 386 V CA -0.326 61.937 62.300 -0.061 0.000 0.981 386 V CB 0.925 32.766 31.823 0.029 0.000 0.990 386 V HN 0.745 nan 8.190 nan 0.000 0.474 387 A N 3.833 126.546 122.820 -0.179 0.000 2.602 387 A HA 0.926 5.246 4.320 -0.000 0.000 0.290 387 A C -1.276 176.175 177.584 -0.222 0.000 1.114 387 A CA -0.617 51.271 52.037 -0.248 0.000 0.683 387 A CB 2.199 20.995 19.000 -0.339 0.000 1.281 387 A HN 1.147 nan 8.150 nan 0.000 0.416 388 V N -0.589 119.174 119.914 -0.250 0.000 2.932 388 V HA 0.634 4.754 4.120 -0.000 0.000 0.307 388 V C -1.973 174.002 176.094 -0.198 0.000 1.147 388 V CA -0.746 61.458 62.300 -0.160 0.000 0.951 388 V CB 1.825 33.620 31.823 -0.047 0.000 1.031 388 V HN 0.924 nan 8.190 nan 0.000 0.426 389 W N 4.155 125.438 121.300 -0.028 0.000 2.266 389 W HA 0.516 5.176 4.660 -0.000 0.000 0.317 389 W C 1.061 177.570 176.519 -0.016 0.000 1.310 389 W CA 0.109 57.440 57.345 -0.023 0.000 1.207 389 W CB 1.222 30.671 29.460 -0.018 0.000 1.199 389 W HN 0.770 nan 8.180 nan 0.000 0.544 390 T N 0.554 115.242 114.554 0.223 0.000 2.816 390 T HA 0.239 4.589 4.350 -0.000 0.000 0.282 390 T C -1.671 173.104 174.700 0.126 0.000 0.993 390 T CA -1.554 60.624 62.100 0.130 0.000 0.994 390 T CB 1.255 70.173 68.868 0.083 0.000 1.025 390 T HN 0.158 nan 8.240 nan 0.000 0.529 391 P HA -0.062 nan 4.420 nan 0.000 0.220 391 P C 1.189 178.518 177.300 0.048 0.000 1.148 391 P CA 0.764 63.897 63.100 0.053 0.000 0.803 391 P CB 0.018 31.740 31.700 0.038 0.000 0.782 392 E N -0.995 119.239 120.200 0.058 0.000 2.502 392 E HA 0.086 4.436 4.350 -0.000 0.000 0.194 392 E C 1.390 178.032 176.600 0.071 0.000 1.062 392 E CA 0.808 57.238 56.400 0.051 0.000 0.867 392 E CB -1.013 28.713 29.700 0.042 0.000 0.888 392 E HN 0.252 nan 8.360 nan 0.000 0.510 393 G N 1.896 110.762 108.800 0.111 0.000 2.143 393 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.248 393 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.248 393 G C 0.435 175.528 174.900 0.321 0.000 0.991 393 G CA 0.787 45.979 45.100 0.154 0.000 0.689 393 G HN 0.539 nan 8.290 nan 0.000 0.522 394 T N -2.618 112.098 114.554 0.269 0.000 2.936 394 T HA 0.717 5.067 4.350 -0.000 0.000 0.282 394 T C 0.174 174.944 174.700 0.116 0.000 1.003 394 T CA -0.443 61.782 62.100 0.208 0.000 1.005 394 T CB 2.606 71.519 68.868 0.075 0.000 1.097 394 T HN 0.737 nan 8.240 nan 0.000 0.532 395 V N 1.484 121.325 119.914 -0.122 0.000 2.407 395 V HA 0.455 4.575 4.120 -0.000 0.000 0.278 395 V C 0.515 176.469 176.094 -0.232 0.000 1.037 395 V CA -0.815 61.258 62.300 -0.378 0.000 0.900 395 V CB 0.872 32.360 31.823 -0.558 0.000 0.983 395 V HN 0.852 nan 8.190 nan 0.000 0.459 396 R N 5.311 125.678 120.500 -0.220 0.000 2.229 396 R HA 0.440 4.779 4.340 -0.000 0.000 0.332 396 R C -0.683 175.493 176.300 -0.208 0.000 0.989 396 R CA -0.715 55.289 56.100 -0.159 0.000 0.842 396 R CB 0.657 30.898 30.300 -0.099 0.000 1.119 396 R HN 0.583 nan 8.270 nan 0.000 0.456 397 I N 7.291 127.748 120.570 -0.188 0.000 2.452 397 I HA -0.028 4.141 4.170 -0.000 0.000 0.287 397 I C 1.126 177.141 176.117 -0.170 0.000 1.079 397 I CA 0.284 61.468 61.300 -0.194 0.000 1.387 397 I CB 1.016 38.931 38.000 -0.142 0.000 1.404 397 I HN 0.812 nan 8.210 nan 0.000 0.522 398 L N 5.500 126.574 121.223 -0.247 0.000 2.408 398 L HA 0.358 4.698 4.340 -0.000 0.000 0.215 398 L C 1.045 177.714 176.870 -0.334 0.000 1.081 398 L CA 0.275 54.871 54.840 -0.405 0.000 0.840 398 L CB 0.065 41.665 42.059 -0.765 0.000 1.002 398 L HN 0.890 nan 8.230 nan 0.000 0.468 399 G N -0.085 108.621 108.800 -0.157 0.000 2.369 399 G HA2 0.009 3.969 3.960 -0.000 0.000 0.295 399 G HA3 0.009 3.969 3.960 -0.000 0.000 0.295 399 G C -1.232 173.702 174.900 0.057 0.000 1.298 399 G CA -1.036 44.068 45.100 0.007 0.000 0.940 399 G HN -0.080 nan 8.290 nan 0.000 0.536 400 R N -0.132 120.423 120.500 0.092 0.000 2.491 400 R HA 0.354 4.694 4.340 -0.000 0.000 0.283 400 R C 1.677 178.035 176.300 0.098 0.000 1.072 400 R CA -0.105 56.045 56.100 0.084 0.000 1.048 400 R CB 1.333 31.676 30.300 0.072 0.000 0.983 400 R HN 0.336 nan 8.270 nan 0.000 0.450 401 V N 2.355 122.313 119.914 0.074 0.000 2.317 401 V HA -0.304 3.815 4.120 -0.000 0.000 0.251 401 V C 1.351 177.478 176.094 0.054 0.000 1.065 401 V CA 1.997 64.337 62.300 0.067 0.000 1.049 401 V CB -0.334 31.512 31.823 0.038 0.000 0.651 401 V HN 0.735 nan 8.190 nan 0.000 0.450 402 D N -0.495 119.933 120.400 0.046 0.000 2.312 402 D HA -0.089 4.551 4.640 -0.000 0.000 0.211 402 D C 1.611 177.931 176.300 0.034 0.000 0.964 402 D CA 0.806 54.827 54.000 0.034 0.000 0.877 402 D CB -0.163 40.655 40.800 0.029 0.000 0.924 402 D HN 0.472 nan 8.370 nan 0.000 0.515 403 D N -0.249 120.180 120.400 0.049 0.000 2.354 403 D HA 0.022 4.662 4.640 -0.000 0.000 0.209 403 D C 0.989 177.308 176.300 0.031 0.000 1.015 403 D CA -0.070 53.957 54.000 0.046 0.000 0.867 403 D CB 0.212 41.051 40.800 0.066 0.000 0.933 403 D HN 0.217 nan 8.370 nan 0.000 0.520 404 M N 1.076 120.692 119.600 0.026 0.000 2.249 404 M HA 0.084 4.564 4.480 -0.000 0.000 0.340 404 M C -0.483 175.781 176.300 -0.059 0.000 1.166 404 M CA 0.565 55.832 55.300 -0.055 0.000 1.115 404 M CB 0.595 33.161 32.600 -0.056 0.000 1.606 404 M HN -0.218 nan 8.290 nan 0.000 0.448 405 I N 5.771 126.284 120.570 -0.095 0.000 2.378 405 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 405 I C -0.562 175.530 176.117 -0.041 0.000 0.992 405 I CA -0.639 60.633 61.300 -0.047 0.000 1.154 405 I CB 1.441 39.421 38.000 -0.033 0.000 1.315 405 I HN 0.510 nan 8.210 nan 0.000 0.448 406 I N 4.790 125.354 120.570 -0.011 0.000 2.307 406 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 406 I C 0.082 176.215 176.117 0.026 0.000 1.021 406 I CA -0.045 61.258 61.300 0.006 0.000 1.224 406 I CB 1.092 39.097 38.000 0.009 0.000 1.376 406 I HN 0.472 nan 8.210 nan 0.000 0.470 407 S N 4.364 120.090 115.700 0.043 0.000 2.552 407 S HA 0.603 5.073 4.470 -0.000 0.000 0.314 407 S C 0.758 175.387 174.600 0.047 0.000 1.099 407 S CA 0.178 58.410 58.200 0.053 0.000 1.070 407 S CB 1.250 64.495 63.200 0.075 0.000 0.998 407 S HN 1.074 nan 8.310 nan 0.000 0.474 408 G N 3.079 111.899 108.800 0.034 0.000 2.321 408 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.287 408 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.287 408 G C 1.217 176.114 174.900 -0.004 0.000 1.018 408 G CA 0.684 45.794 45.100 0.017 0.000 0.855 408 G HN 2.220 nan 8.290 nan 0.000 0.507 409 G N -1.905 106.900 108.800 0.007 0.000 2.148 409 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 409 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 409 G C 0.033 174.912 174.900 -0.034 0.000 0.981 409 G CA 0.869 45.965 45.100 -0.007 0.000 0.670 409 G HN 0.898 nan 8.290 nan 0.000 0.528 410 E N 0.475 120.652 120.200 -0.039 0.000 2.183 410 E HA 0.332 4.682 4.350 -0.000 0.000 0.271 410 E C -0.237 176.378 176.600 0.025 0.000 0.919 410 E CA -0.912 55.450 56.400 -0.063 0.000 0.781 410 E CB 0.871 30.431 29.700 -0.233 0.000 1.140 410 E HN 0.225 nan 8.360 nan 0.000 0.402 411 N N 2.069 120.784 118.700 0.026 0.000 2.475 411 N HA 0.225 4.965 4.740 -0.000 0.000 0.267 411 N C -0.395 175.121 175.510 0.011 0.000 1.169 411 N CA 0.167 53.199 53.050 -0.031 0.000 0.947 411 N CB 0.447 38.908 38.487 -0.043 0.000 1.061 411 N HN 0.325 nan 8.380 nan 0.000 0.466 412 I N 2.030 122.512 120.570 -0.147 0.000 2.545 412 I HA 0.172 4.342 4.170 -0.000 0.000 0.292 412 I C -0.339 175.575 176.117 -0.338 0.000 1.040 412 I CA -0.611 60.614 61.300 -0.125 0.000 1.068 412 I CB 1.630 39.613 38.000 -0.027 0.000 1.251 412 I HN 0.322 nan 8.210 nan 0.000 0.424 413 H N 6.756 125.841 119.070 0.025 0.000 2.581 413 H HA 0.246 4.802 4.556 -0.000 0.000 0.308 413 H C -1.871 173.462 175.328 0.007 0.000 1.040 413 H CA -1.801 54.258 56.048 0.018 0.000 1.231 413 H CB 1.556 31.329 29.762 0.019 0.000 1.396 413 H HN 0.351 nan 8.280 nan 0.000 0.467 414 P HA -0.207 nan 4.420 nan 0.000 0.216 414 P C 1.629 178.968 177.300 0.066 0.000 1.150 414 P CA 1.380 64.512 63.100 0.053 0.000 0.843 414 P CB 0.261 31.984 31.700 0.039 0.000 0.787 415 S N 0.375 116.127 115.700 0.086 0.000 2.365 415 S HA -0.260 4.210 4.470 -0.000 0.000 0.225 415 S C 2.145 176.781 174.600 0.060 0.000 1.039 415 S CA 1.491 59.732 58.200 0.068 0.000 1.033 415 S CB -1.449 61.790 63.200 0.065 0.000 0.887 415 S HN 0.231 nan 8.310 nan 0.000 0.447 416 E N 1.141 121.382 120.200 0.068 0.000 2.058 416 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 416 E C 1.997 178.624 176.600 0.045 0.000 0.997 416 E CA 1.648 58.079 56.400 0.051 0.000 0.801 416 E CB -0.297 29.434 29.700 0.052 0.000 0.746 416 E HN 0.718 nan 8.360 nan 0.000 0.450 417 I N 0.751 121.345 120.570 0.040 0.000 2.353 417 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 417 I C 2.239 178.392 176.117 0.060 0.000 1.119 417 I CA 1.003 62.325 61.300 0.037 0.000 1.417 417 I CB -0.202 37.803 38.000 0.009 0.000 1.078 417 I HN 0.092 nan 8.210 nan 0.000 0.421 418 E N 0.774 121.007 120.200 0.055 0.000 2.085 418 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 418 E C 2.341 178.978 176.600 0.061 0.000 0.994 418 E CA 1.136 57.570 56.400 0.057 0.000 0.801 418 E CB -0.110 29.619 29.700 0.048 0.000 0.743 418 E HN 0.388 nan 8.360 nan 0.000 0.453 419 R N 0.311 120.847 120.500 0.060 0.000 2.081 419 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 419 R C 2.420 178.772 176.300 0.086 0.000 1.131 419 R CA 1.159 57.296 56.100 0.062 0.000 0.960 419 R CB -0.325 30.008 30.300 0.054 0.000 0.856 419 R HN 0.085 nan 8.270 nan 0.000 0.436 420 V N 1.489 121.465 119.914 0.105 0.000 2.244 420 V HA -0.229 3.891 4.120 -0.000 0.000 0.244 420 V C 2.325 178.563 176.094 0.240 0.000 1.042 420 V CA 1.656 64.060 62.300 0.173 0.000 1.006 420 V CB -0.418 31.494 31.823 0.148 0.000 0.641 420 V HN 0.279 nan 8.190 nan 0.000 0.446 421 L N 0.595 121.919 121.223 0.169 0.000 2.191 421 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 421 L C 2.455 179.320 176.870 -0.009 0.000 1.103 421 L CA 1.417 56.319 54.840 0.104 0.000 0.769 421 L CB -0.882 41.253 42.059 0.126 0.000 0.908 421 L HN 0.501 nan 8.230 nan 0.000 0.438 422 G N -1.032 107.781 108.800 0.022 0.000 2.559 422 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 422 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 422 G C 1.509 176.388 174.900 -0.036 0.000 1.126 422 G CA 1.088 46.184 45.100 -0.007 0.000 0.778 422 G HN 0.465 nan 8.290 nan 0.000 0.543 423 T N -2.421 112.117 114.554 -0.027 0.000 3.086 423 T HA 0.586 4.936 4.350 -0.000 0.000 0.250 423 T C 1.130 175.653 174.700 -0.296 0.000 1.074 423 T CA 0.391 62.475 62.100 -0.027 0.000 0.988 423 T CB 0.357 69.318 68.868 0.156 0.000 0.988 423 T HN 0.300 nan 8.240 nan 0.000 0.530 424 A N 3.002 125.407 122.820 -0.692 0.000 2.440 424 A HA 0.554 4.874 4.320 -0.000 0.000 0.251 424 A C -2.341 174.923 177.584 -0.533 0.000 1.089 424 A CA -1.461 49.834 52.037 -1.238 0.000 0.779 424 A CB -0.267 18.052 19.000 -1.136 0.000 1.022 424 A HN 0.254 nan 8.150 nan 0.000 0.492 425 P HA 0.200 nan 4.420 nan 0.000 0.262 425 P C 1.092 178.295 177.300 -0.161 0.000 1.182 425 P CA 1.944 64.932 63.100 -0.188 0.000 0.761 425 P CB 0.514 32.147 31.700 -0.111 0.000 0.795 426 G N 1.354 110.090 108.800 -0.107 0.000 2.217 426 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.246 426 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.246 426 G C 0.049 174.905 174.900 -0.074 0.000 0.990 426 G CA -0.110 44.942 45.100 -0.079 0.000 0.627 426 G HN 0.540 nan 8.290 nan 0.000 0.522 427 V N 1.307 121.162 119.914 -0.098 0.000 2.432 427 V HA 0.587 4.707 4.120 -0.000 0.000 0.271 427 V C 1.332 177.399 176.094 -0.045 0.000 1.046 427 V CA 1.013 63.270 62.300 -0.072 0.000 0.945 427 V CB 1.346 33.113 31.823 -0.094 0.000 0.992 427 V HN 0.345 nan 8.190 nan 0.000 0.471 428 T N 3.561 118.102 114.554 -0.021 0.000 3.015 428 T HA 0.242 4.592 4.350 -0.000 0.000 0.250 428 T C 0.436 175.136 174.700 0.001 0.000 1.057 428 T CA 0.522 62.616 62.100 -0.009 0.000 1.066 428 T CB 0.078 68.944 68.868 -0.003 0.000 0.959 428 T HN 0.745 nan 8.240 nan 0.000 0.488 429 E N 0.033 120.237 120.200 0.007 0.000 2.352 429 E HA 0.548 4.898 4.350 -0.000 0.000 0.280 429 E C -2.154 174.463 176.600 0.029 0.000 0.930 429 E CA -0.601 55.809 56.400 0.018 0.000 0.765 429 E CB 2.994 32.706 29.700 0.020 0.000 1.219 429 E HN 0.045 nan 8.360 nan 0.000 0.434 430 V N 2.872 122.807 119.914 0.034 0.000 2.817 430 V HA 0.518 4.638 4.120 -0.000 0.000 0.303 430 V C -1.849 174.271 176.094 0.044 0.000 1.151 430 V CA -0.436 61.894 62.300 0.050 0.000 0.929 430 V CB 1.993 33.852 31.823 0.059 0.000 1.030 430 V HN 0.417 nan 8.190 nan 0.000 0.427 431 V N 6.679 126.621 119.914 0.046 0.000 2.531 431 V HA 0.566 4.686 4.120 -0.000 0.000 0.301 431 V C -0.388 175.726 176.094 0.032 0.000 1.034 431 V CA -0.620 61.701 62.300 0.034 0.000 0.865 431 V CB 2.032 33.869 31.823 0.024 0.000 0.995 431 V HN 0.702 nan 8.190 nan 0.000 0.424 432 V N 6.587 126.516 119.914 0.024 0.000 2.427 432 V HA 0.616 4.736 4.120 -0.000 0.000 0.286 432 V C -0.093 176.005 176.094 0.007 0.000 1.034 432 V CA -0.320 61.985 62.300 0.008 0.000 0.893 432 V CB 1.407 33.232 31.823 0.002 0.000 0.982 432 V HN 0.814 nan 8.190 nan 0.000 0.452 433 I N 1.479 122.050 120.570 0.002 0.000 3.074 433 I HA 0.969 5.139 4.170 -0.000 0.000 0.310 433 I C 0.146 176.263 176.117 0.001 0.000 1.153 433 I CA -0.925 60.375 61.300 0.001 0.000 0.993 433 I CB 2.473 40.471 38.000 -0.004 0.000 1.237 433 I HN 0.605 nan 8.210 nan 0.000 0.443 434 G N 3.927 112.727 108.800 0.001 0.000 2.343 434 G HA2 0.652 4.612 3.960 -0.000 0.000 0.319 434 G HA3 0.652 4.612 3.960 -0.000 0.000 0.319 434 G C -0.965 173.942 174.900 0.012 0.000 1.126 434 G CA -0.659 44.444 45.100 0.005 0.000 0.889 434 G HN 0.555 nan 8.290 nan 0.000 0.457 435 L N 1.664 122.900 121.223 0.022 0.000 2.334 435 L HA 0.594 4.934 4.340 -0.000 0.000 0.276 435 L C 0.903 177.786 176.870 0.021 0.000 1.014 435 L CA -1.135 53.722 54.840 0.028 0.000 0.815 435 L CB 2.026 44.123 42.059 0.062 0.000 1.268 435 L HN 0.632 nan 8.230 nan 0.000 0.428 436 A N 1.707 124.538 122.820 0.018 0.000 2.546 436 A HA 0.214 4.533 4.320 -0.000 0.000 0.243 436 A C -0.254 177.326 177.584 -0.008 0.000 1.063 436 A CA -0.172 51.871 52.037 0.012 0.000 0.757 436 A CB -0.237 18.772 19.000 0.016 0.000 0.991 436 A HN 0.789 nan 8.150 nan 0.000 0.503 437 D N 1.292 121.676 120.400 -0.027 0.000 2.530 437 D HA 0.313 4.952 4.640 -0.000 0.000 0.282 437 D C 0.360 176.583 176.300 -0.129 0.000 1.204 437 D CA -0.262 53.701 54.000 -0.061 0.000 1.093 437 D CB 0.251 41.019 40.800 -0.054 0.000 1.154 437 D HN 0.315 nan 8.370 nan 0.000 0.593 438 Q N -1.126 118.564 119.800 -0.183 0.000 2.198 438 Q HA 0.225 4.565 4.340 -0.000 0.000 0.209 438 Q C 0.365 176.043 176.000 -0.538 0.000 0.848 438 Q CA 0.022 55.640 55.803 -0.308 0.000 0.974 438 Q CB 0.697 29.300 28.738 -0.225 0.000 1.115 438 Q HN 0.471 nan 8.270 nan 0.000 0.494 439 R N -0.565 119.675 120.500 -0.433 0.000 2.546 439 R HA 0.093 4.433 4.340 -0.000 0.000 0.320 439 R C -0.348 175.848 176.300 -0.173 0.000 1.021 439 R CA -0.243 55.606 56.100 -0.419 0.000 1.088 439 R CB 0.524 30.750 30.300 -0.124 0.000 1.278 439 R HN 0.181 nan 8.270 nan 0.000 0.557 440 W N -0.304 120.997 121.300 0.003 0.000 3.456 440 W HA -0.208 4.452 4.660 -0.000 0.000 0.314 440 W C 0.338 176.858 176.519 0.001 0.000 1.192 440 W CA 0.790 58.136 57.345 0.002 0.000 0.654 440 W CB -2.079 27.381 29.460 -0.000 0.000 2.251 440 W HN 0.340 nan 8.180 nan 0.000 1.360 441 G N -0.313 108.556 108.800 0.116 0.000 3.212 441 G HA2 0.687 4.647 3.960 -0.000 0.000 0.188 441 G HA3 0.687 4.647 3.960 -0.000 0.000 0.188 441 G C -0.540 174.386 174.900 0.043 0.000 1.254 441 G CA -0.589 44.560 45.100 0.081 0.000 0.957 441 G HN -0.001 nan 8.290 nan 0.000 0.596 442 Q N -0.913 118.906 119.800 0.031 0.000 2.387 442 Q HA 0.577 4.917 4.340 -0.000 0.000 0.273 442 Q C -1.117 174.891 176.000 0.014 0.000 1.089 442 Q CA -0.638 55.177 55.803 0.020 0.000 0.824 442 Q CB 2.374 31.122 28.738 0.018 0.000 1.367 442 Q HN 0.442 nan 8.270 nan 0.000 0.443 443 S N 0.853 116.557 115.700 0.008 0.000 2.449 443 S HA 0.355 4.825 4.470 -0.000 0.000 0.310 443 S C -0.474 174.122 174.600 -0.006 0.000 1.096 443 S CA -0.624 57.577 58.200 0.001 0.000 1.095 443 S CB 0.767 63.965 63.200 -0.004 0.000 1.007 443 S HN 0.403 nan 8.310 nan 0.000 0.474 444 V N 6.000 125.903 119.914 -0.018 0.000 2.475 444 V HA 0.178 4.298 4.120 -0.000 0.000 0.292 444 V C 0.526 176.570 176.094 -0.083 0.000 1.003 444 V CA 0.497 62.771 62.300 -0.044 0.000 1.120 444 V CB 0.078 31.869 31.823 -0.054 0.000 0.937 444 V HN 0.934 nan 8.190 nan 0.000 0.476 445 T N 4.650 119.164 114.554 -0.067 0.000 2.848 445 T HA 0.703 5.052 4.350 -0.000 0.000 0.285 445 T C -0.126 174.524 174.700 -0.083 0.000 0.995 445 T CA -0.277 61.782 62.100 -0.070 0.000 0.970 445 T CB 1.742 70.659 68.868 0.082 0.000 0.976 445 T HN 0.890 nan 8.240 nan 0.000 0.441 446 A N 1.714 124.412 122.820 -0.204 0.000 2.303 446 A HA 0.642 4.962 4.320 -0.000 0.000 0.320 446 A C -0.181 177.458 177.584 0.092 0.000 1.192 446 A CA -0.640 51.339 52.037 -0.098 0.000 0.821 446 A CB 0.379 19.263 19.000 -0.193 0.000 1.188 446 A HN 0.968 nan 8.150 nan 0.000 0.492 447 C N 3.048 122.423 119.300 0.124 0.000 2.255 447 C HA 0.639 5.099 4.460 -0.000 0.000 0.326 447 C C 0.383 175.452 174.990 0.131 0.000 1.258 447 C CA -0.646 58.469 59.018 0.162 0.000 1.676 447 C CB -0.400 27.394 27.740 0.090 0.000 2.314 447 C HN 0.780 nan 8.230 nan 0.000 0.509 448 V N 2.396 122.402 119.914 0.154 0.000 2.604 448 V HA 0.857 4.977 4.120 -0.000 0.000 0.305 448 V C -0.586 175.554 176.094 0.076 0.000 1.043 448 V CA -0.473 61.895 62.300 0.112 0.000 0.888 448 V CB 1.471 33.373 31.823 0.132 0.000 0.995 448 V HN 0.499 nan 8.190 nan 0.000 0.429 449 V N 5.979 125.921 119.914 0.047 0.000 2.435 449 V HA 0.521 4.641 4.120 -0.000 0.000 0.290 449 V C -2.088 174.014 176.094 0.013 0.000 1.030 449 V CA -1.707 60.611 62.300 0.031 0.000 0.881 449 V CB 1.820 33.658 31.823 0.025 0.000 0.983 449 V HN 0.906 nan 8.190 nan 0.000 0.445 450 P HA 0.229 nan 4.420 nan 0.000 0.275 450 P C -0.267 177.028 177.300 -0.007 0.000 1.228 450 P CA -0.567 62.528 63.100 -0.007 0.000 0.786 450 P CB 0.864 32.560 31.700 -0.007 0.000 0.927 451 R N 1.222 121.713 120.500 -0.015 0.000 2.698 451 R HA 0.018 4.358 4.340 -0.000 0.000 0.266 451 R C 0.363 176.658 176.300 -0.008 0.000 1.026 451 R CA -0.490 55.602 56.100 -0.012 0.000 1.102 451 R CB -0.139 30.150 30.300 -0.019 0.000 0.978 451 R HN 0.443 nan 8.270 nan 0.000 0.436 452 L N 3.311 124.532 121.223 -0.003 0.000 2.700 452 L HA -0.044 4.296 4.340 -0.000 0.000 0.276 452 L C 1.196 178.064 176.870 -0.004 0.000 1.200 452 L CA 2.093 56.932 54.840 -0.001 0.000 0.951 452 L CB 0.221 42.280 42.059 0.001 0.000 1.226 452 L HN 0.947 nan 8.230 nan 0.000 0.489 453 G N 2.357 111.156 108.800 -0.003 0.000 2.225 453 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.254 453 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.254 453 G C 0.341 175.237 174.900 -0.008 0.000 0.988 453 G CA 0.237 45.335 45.100 -0.004 0.000 0.625 453 G HN 0.612 nan 8.290 nan 0.000 0.527 454 E N 0.751 120.944 120.200 -0.011 0.000 2.349 454 E HA 0.506 4.855 4.350 -0.000 0.000 0.265 454 E C -0.254 176.336 176.600 -0.018 0.000 1.064 454 E CA 0.092 56.482 56.400 -0.017 0.000 0.886 454 E CB 1.059 30.745 29.700 -0.024 0.000 1.036 454 E HN 0.144 nan 8.360 nan 0.000 0.413 455 T N 2.373 116.914 114.554 -0.023 0.000 2.770 455 T HA 0.425 4.775 4.350 -0.000 0.000 0.283 455 T C 0.268 174.946 174.700 -0.037 0.000 0.988 455 T CA -0.516 61.570 62.100 -0.024 0.000 0.957 455 T CB 0.433 69.289 68.868 -0.020 0.000 0.930 455 T HN 0.137 nan 8.240 nan 0.000 0.443 456 L N 2.937 124.136 121.223 -0.040 0.000 2.360 456 L HA 0.724 5.063 4.340 -0.000 0.000 0.271 456 L C 0.510 177.338 176.870 -0.071 0.000 1.057 456 L CA -0.602 54.200 54.840 -0.064 0.000 0.803 456 L CB 1.517 43.540 42.059 -0.060 0.000 1.207 456 L HN 0.708 nan 8.230 nan 0.000 0.445 457 S N 0.510 116.145 115.700 -0.109 0.000 2.541 457 S HA 0.569 5.038 4.470 -0.000 0.000 0.280 457 S C 0.342 174.819 174.600 -0.206 0.000 1.112 457 S CA -0.168 57.963 58.200 -0.115 0.000 0.925 457 S CB 1.864 65.016 63.200 -0.081 0.000 1.067 457 S HN 0.700 nan 8.310 nan 0.000 0.479 458 A N 1.966 124.670 122.820 -0.194 0.000 1.908 458 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 458 A C 1.789 179.213 177.584 -0.266 0.000 1.181 458 A CA 2.215 54.072 52.037 -0.299 0.000 0.627 458 A CB -1.256 17.713 19.000 -0.052 0.000 0.818 458 A HN 0.952 nan 8.150 nan 0.000 0.445 459 D N -0.070 120.251 120.400 -0.132 0.000 2.092 459 D HA -0.104 4.536 4.640 -0.000 0.000 0.193 459 D C 2.111 178.356 176.300 -0.090 0.000 0.994 459 D CA 1.884 55.835 54.000 -0.082 0.000 0.828 459 D CB -0.318 40.453 40.800 -0.048 0.000 0.963 459 D HN 0.337 nan 8.370 nan 0.000 0.450 460 A N 0.075 122.832 122.820 -0.106 0.000 1.898 460 A HA -0.077 4.242 4.320 -0.000 0.000 0.216 460 A C 2.588 180.121 177.584 -0.086 0.000 1.181 460 A CA 1.088 53.081 52.037 -0.073 0.000 0.620 460 A CB -0.784 18.174 19.000 -0.070 0.000 0.819 460 A HN 0.358 nan 8.150 nan 0.000 0.442 461 L N -0.652 120.428 121.223 -0.238 0.000 2.046 461 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 461 L C 2.415 179.211 176.870 -0.122 0.000 1.077 461 L CA 1.838 56.498 54.840 -0.300 0.000 0.747 461 L CB -0.561 41.035 42.059 -0.771 0.000 0.896 461 L HN 0.492 nan 8.230 nan 0.000 0.432 462 D N -0.657 119.648 120.400 -0.158 0.000 2.144 462 D HA -0.178 4.462 4.640 -0.000 0.000 0.199 462 D C 1.965 178.304 176.300 0.066 0.000 0.984 462 D CA 1.592 55.629 54.000 0.062 0.000 0.834 462 D CB 0.177 41.027 40.800 0.083 0.000 0.955 462 D HN 0.124 nan 8.370 nan 0.000 0.465 463 T N -0.602 113.975 114.554 0.038 0.000 2.746 463 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 463 T C 1.579 176.323 174.700 0.073 0.000 1.039 463 T CA 1.045 63.171 62.100 0.043 0.000 1.142 463 T CB -0.595 68.292 68.868 0.031 0.000 0.866 463 T HN 0.248 nan 8.240 nan 0.000 0.444 464 F N 1.094 121.027 119.950 -0.028 0.000 2.134 464 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 464 F C 2.406 178.209 175.800 0.005 0.000 1.097 464 F CA 0.729 58.721 58.000 -0.014 0.000 1.264 464 F CB -0.493 38.493 39.000 -0.022 0.000 1.001 464 F HN 0.150 nan 8.300 nan 0.000 0.479 465 C N 0.600 119.997 119.300 0.163 0.000 2.440 465 C HA -0.103 4.357 4.460 -0.000 0.000 0.278 465 C C 2.749 177.724 174.990 -0.025 0.000 1.295 465 C CA 0.839 59.905 59.018 0.080 0.000 1.738 465 C CB -1.237 26.602 27.740 0.165 0.000 1.987 465 C HN 0.414 nan 8.230 nan 0.000 0.492 466 R N 0.400 120.892 120.500 -0.013 0.000 2.148 466 R HA -0.064 4.276 4.340 -0.000 0.000 0.227 466 R C 2.044 178.299 176.300 -0.074 0.000 1.103 466 R CA 1.153 57.236 56.100 -0.029 0.000 0.983 466 R CB -0.240 30.056 30.300 -0.006 0.000 0.874 466 R HN 0.423 nan 8.270 nan 0.000 0.451 467 S N 0.300 115.919 115.700 -0.136 0.000 2.558 467 S HA 0.004 4.474 4.470 -0.000 0.000 0.217 467 S C 0.862 175.324 174.600 -0.230 0.000 0.975 467 S CA 0.109 58.203 58.200 -0.178 0.000 0.912 467 S CB 0.256 63.329 63.200 -0.211 0.000 0.776 467 S HN 0.378 nan 8.310 nan 0.000 0.526 468 S N 1.157 116.705 115.700 -0.253 0.000 2.671 468 S HA 0.318 4.788 4.470 -0.000 0.000 0.272 468 S C 0.667 175.197 174.600 -0.117 0.000 1.174 468 S CA -0.550 57.515 58.200 -0.226 0.000 1.004 468 S CB 0.397 63.469 63.200 -0.213 0.000 1.077 468 S HN 0.030 nan 8.310 nan 0.000 0.553 469 E N -0.084 120.067 120.200 -0.083 0.000 2.489 469 E HA 0.243 4.593 4.350 -0.000 0.000 0.193 469 E C 0.050 176.623 176.600 -0.044 0.000 1.057 469 E CA -0.077 56.293 56.400 -0.050 0.000 0.866 469 E CB -0.379 29.302 29.700 -0.032 0.000 0.916 469 E HN 0.525 nan 8.360 nan 0.000 0.500 470 L N 1.707 122.896 121.223 -0.057 0.000 2.559 470 L HA -0.019 4.320 4.340 -0.000 0.000 0.274 470 L C 0.757 177.575 176.870 -0.088 0.000 1.205 470 L CA -0.306 54.487 54.840 -0.079 0.000 0.907 470 L CB 0.161 42.175 42.059 -0.076 0.000 1.153 470 L HN -0.031 nan 8.230 nan 0.000 0.490 471 A N 3.106 125.852 122.820 -0.124 0.000 2.466 471 A HA 0.010 4.330 4.320 -0.000 0.000 0.238 471 A C 1.013 178.524 177.584 -0.120 0.000 1.074 471 A CA -0.379 51.611 52.037 -0.078 0.000 0.774 471 A CB 0.172 19.170 19.000 -0.004 0.000 1.015 471 A HN 0.841 nan 8.150 nan 0.000 0.498 472 D N 0.869 121.288 120.400 0.031 0.000 2.133 472 D HA -0.222 4.418 4.640 -0.000 0.000 0.195 472 D C 1.427 177.753 176.300 0.043 0.000 0.997 472 D CA 2.374 56.403 54.000 0.048 0.000 0.840 472 D CB -0.454 40.406 40.800 0.099 0.000 0.947 472 D HN 0.772 nan 8.370 nan 0.000 0.452 473 F N 0.339 120.295 119.950 0.009 0.000 2.546 473 F HA 0.125 4.651 4.527 -0.000 0.000 0.298 473 F C 1.715 177.517 175.800 0.003 0.000 1.120 473 F CA 0.501 58.503 58.000 0.005 0.000 1.456 473 F CB -0.171 38.831 39.000 0.004 0.000 1.088 473 F HN -0.199 nan 8.300 nan 0.000 0.572 474 K N 0.422 120.472 120.400 -0.583 0.000 2.323 474 K HA 0.149 4.469 4.320 -0.000 0.000 0.197 474 K C 0.521 177.004 176.600 -0.196 0.000 1.043 474 K CA -0.115 55.884 56.287 -0.481 0.000 0.997 474 K CB 0.111 32.255 32.500 -0.594 0.000 0.807 474 K HN 0.157 nan 8.250 nan 0.000 0.497 475 R N 2.210 122.635 120.500 -0.125 0.000 2.489 475 R HA 0.080 4.419 4.340 -0.000 0.000 0.287 475 R C -2.499 173.774 176.300 -0.045 0.000 1.053 475 R CA -1.686 54.389 56.100 -0.043 0.000 1.036 475 R CB -0.056 30.245 30.300 0.001 0.000 0.966 475 R HN -0.082 nan 8.270 nan 0.000 0.432 476 P HA -0.082 nan 4.420 nan 0.000 0.263 476 P C 0.020 177.238 177.300 -0.138 0.000 1.175 476 P CA 0.315 63.296 63.100 -0.199 0.000 0.761 476 P CB 0.563 31.945 31.700 -0.530 0.000 0.794 477 K N 2.196 122.522 120.400 -0.123 0.000 2.426 477 K HA 0.055 4.375 4.320 -0.000 0.000 0.193 477 K C 0.811 177.360 176.600 -0.085 0.000 1.028 477 K CA 0.591 56.839 56.287 -0.065 0.000 1.047 477 K CB 0.502 32.977 32.500 -0.041 0.000 0.821 477 K HN 0.453 nan 8.250 nan 0.000 0.513 478 R N -0.204 120.169 120.500 -0.212 0.000 2.604 478 R HA 0.198 4.538 4.340 -0.000 0.000 0.261 478 R C -1.942 174.105 176.300 -0.423 0.000 1.080 478 R CA -0.506 55.465 56.100 -0.214 0.000 0.917 478 R CB 1.019 31.206 30.300 -0.187 0.000 1.252 478 R HN -0.178 nan 8.270 nan 0.000 0.456 479 Y N 2.763 122.956 120.300 -0.180 0.000 2.429 479 Y HA 0.508 5.058 4.550 -0.000 0.000 0.342 479 Y C -0.647 175.081 175.900 -0.287 0.000 1.004 479 Y CA -0.607 57.419 58.100 -0.123 0.000 1.075 479 Y CB 1.756 40.180 38.460 -0.061 0.000 1.214 479 Y HN 0.373 nan 8.280 nan 0.000 0.455 480 F N 3.644 123.665 119.950 0.119 0.000 2.403 480 F HA 0.493 5.019 4.527 -0.000 0.000 0.355 480 F C -0.371 175.480 175.800 0.085 0.000 1.119 480 F CA -0.674 57.372 58.000 0.077 0.000 1.007 480 F CB 0.856 39.877 39.000 0.035 0.000 1.194 480 F HN 0.241 nan 8.300 nan 0.000 0.443 481 I N 5.722 126.419 120.570 0.212 0.000 2.301 481 I HA 0.298 4.468 4.170 -0.000 0.000 0.292 481 I C -0.552 175.641 176.117 0.127 0.000 1.046 481 I CA -0.072 61.310 61.300 0.136 0.000 1.282 481 I CB 0.442 38.485 38.000 0.071 0.000 1.409 481 I HN 0.400 nan 8.210 nan 0.000 0.484 482 L N 5.257 126.542 121.223 0.104 0.000 2.341 482 L HA 0.412 4.752 4.340 -0.000 0.000 0.267 482 L C 0.903 177.802 176.870 0.047 0.000 1.009 482 L CA -0.784 54.101 54.840 0.075 0.000 0.819 482 L CB 1.701 43.799 42.059 0.064 0.000 1.323 482 L HN 0.545 nan 8.230 nan 0.000 0.425 483 D N 0.170 120.591 120.400 0.035 0.000 2.277 483 D HA -0.088 4.552 4.640 -0.000 0.000 0.208 483 D C 0.127 176.439 176.300 0.020 0.000 0.962 483 D CA 0.739 54.754 54.000 0.025 0.000 0.865 483 D CB 0.468 41.280 40.800 0.020 0.000 0.939 483 D HN 0.662 nan 8.370 nan 0.000 0.510 484 Q N -0.917 118.895 119.800 0.020 0.000 2.647 484 Q HA 0.426 4.766 4.340 -0.000 0.000 0.283 484 Q C -1.608 174.400 176.000 0.013 0.000 0.943 484 Q CA -0.965 54.847 55.803 0.016 0.000 0.813 484 Q CB 0.861 29.607 28.738 0.012 0.000 1.477 484 Q HN 0.060 nan 8.270 nan 0.000 0.393 485 L N 1.563 122.793 121.223 0.011 0.000 2.334 485 L HA 0.623 4.963 4.340 -0.000 0.000 0.275 485 L C -2.120 174.750 176.870 0.001 0.000 1.036 485 L CA -2.213 52.630 54.840 0.005 0.000 0.807 485 L CB 1.408 43.472 42.059 0.009 0.000 1.231 485 L HN 0.537 nan 8.230 nan 0.000 0.438 486 P HA 0.239 nan 4.420 nan 0.000 0.276 486 P C -1.297 176.002 177.300 -0.002 0.000 1.243 486 P CA -0.262 62.834 63.100 -0.007 0.000 0.768 486 P CB 0.938 32.629 31.700 -0.015 0.000 0.856 487 K N 2.298 122.699 120.400 0.002 0.000 2.464 487 K HA 0.301 4.621 4.320 -0.000 0.000 0.253 487 K C 0.259 176.862 176.600 0.005 0.000 0.933 487 K CA -0.801 55.490 56.287 0.006 0.000 0.801 487 K CB 1.486 33.992 32.500 0.010 0.000 1.271 487 K HN 0.422 nan 8.250 nan 0.000 0.430 488 N N 0.522 119.226 118.700 0.006 0.000 2.327 488 N HA 0.142 4.882 4.740 -0.000 0.000 0.257 488 N C 0.687 176.202 175.510 0.008 0.000 1.281 488 N CA -0.039 53.014 53.050 0.005 0.000 0.942 488 N CB 0.251 38.740 38.487 0.004 0.000 1.199 488 N HN 0.520 nan 8.380 nan 0.000 0.532 489 A N -0.591 122.233 122.820 0.006 0.000 2.125 489 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 489 A C 1.607 179.200 177.584 0.015 0.000 1.156 489 A CA 0.785 52.828 52.037 0.009 0.000 0.671 489 A CB -0.845 18.157 19.000 0.003 0.000 0.794 489 A HN 0.623 nan 8.150 nan 0.000 0.459 490 L N -0.453 120.779 121.223 0.016 0.000 2.737 490 L HA 0.131 4.471 4.340 -0.000 0.000 0.236 490 L C 1.490 178.375 176.870 0.026 0.000 1.219 490 L CA 0.295 55.150 54.840 0.025 0.000 1.021 490 L CB -1.491 40.585 42.059 0.028 0.000 1.291 490 L HN 0.716 nan 8.230 nan 0.000 0.470 491 N N -0.459 118.255 118.700 0.023 0.000 2.678 491 N HA -0.289 4.451 4.740 -0.000 0.000 0.249 491 N C 0.303 175.825 175.510 0.020 0.000 1.119 491 N CA 1.542 54.605 53.050 0.022 0.000 0.718 491 N CB -2.164 36.339 38.487 0.026 0.000 1.060 491 N HN 0.522 nan 8.380 nan 0.000 0.552 492 K N 0.135 120.546 120.400 0.019 0.000 2.159 492 K HA 0.809 5.129 4.320 -0.000 0.000 0.266 492 K C 0.460 177.069 176.600 0.015 0.000 0.975 492 K CA 0.127 56.425 56.287 0.019 0.000 0.865 492 K CB 1.315 33.828 32.500 0.022 0.000 1.087 492 K HN 1.024 nan 8.250 nan 0.000 0.446 493 V N 3.058 122.981 119.914 0.015 0.000 2.585 493 V HA 0.124 4.244 4.120 -0.000 0.000 0.296 493 V C 0.454 176.552 176.094 0.007 0.000 1.035 493 V CA -0.183 62.123 62.300 0.011 0.000 1.084 493 V CB 0.661 32.492 31.823 0.012 0.000 0.953 493 V HN 0.721 nan 8.190 nan 0.000 0.483 494 L N 7.058 128.282 121.223 0.001 0.000 2.358 494 L HA 0.353 4.693 4.340 -0.000 0.000 0.274 494 L C 1.576 178.441 176.870 -0.008 0.000 1.136 494 L CA -0.064 54.775 54.840 -0.003 0.000 0.970 494 L CB -0.050 42.006 42.059 -0.006 0.000 1.314 494 L HN 0.600 nan 8.230 nan 0.000 0.427 495 R N 1.203 121.700 120.500 -0.004 0.000 2.096 495 R HA -0.211 4.128 4.340 -0.000 0.000 0.235 495 R C 2.708 178.998 176.300 -0.017 0.000 1.127 495 R CA 1.738 57.833 56.100 -0.008 0.000 0.968 495 R CB -0.269 30.032 30.300 0.001 0.000 0.861 495 R HN 0.703 nan 8.270 nan 0.000 0.440 496 R N 1.158 121.650 120.500 -0.013 0.000 2.070 496 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 496 R C 1.969 178.253 176.300 -0.027 0.000 1.138 496 R CA 1.614 57.704 56.100 -0.017 0.000 0.936 496 R CB -1.496 28.798 30.300 -0.010 0.000 0.839 496 R HN 0.329 nan 8.270 nan 0.000 0.429 497 Q N -0.404 119.381 119.800 -0.024 0.000 2.268 497 Q HA -0.153 4.187 4.340 -0.000 0.000 0.210 497 Q C 2.152 178.123 176.000 -0.048 0.000 0.988 497 Q CA 1.797 57.582 55.803 -0.031 0.000 0.883 497 Q CB -0.153 28.571 28.738 -0.023 0.000 0.911 497 Q HN 0.457 nan 8.270 nan 0.000 0.430 498 L N -0.551 120.641 121.223 -0.052 0.000 2.095 498 L HA -0.108 4.232 4.340 -0.000 0.000 0.204 498 L C 2.128 178.926 176.870 -0.120 0.000 1.080 498 L CA 1.147 55.939 54.840 -0.080 0.000 0.759 498 L CB -0.478 41.544 42.059 -0.062 0.000 0.914 498 L HN -0.061 nan 8.230 nan 0.000 0.439 499 V N -0.073 119.787 119.914 -0.091 0.000 2.287 499 V HA -0.368 3.752 4.120 -0.000 0.000 0.248 499 V C 3.071 179.101 176.094 -0.107 0.000 1.053 499 V CA 2.391 64.632 62.300 -0.098 0.000 1.027 499 V CB -1.545 30.246 31.823 -0.053 0.000 0.646 499 V HN 0.679 nan 8.190 nan 0.000 0.447 500 Q N -0.399 119.355 119.800 -0.077 0.000 2.124 500 Q HA -0.304 4.036 4.340 -0.000 0.000 0.202 500 Q C 2.171 178.120 176.000 -0.085 0.000 0.977 500 Q CA 2.231 57.995 55.803 -0.065 0.000 0.850 500 Q CB -0.735 27.978 28.738 -0.042 0.000 0.901 500 Q HN 0.808 nan 8.270 nan 0.000 0.429 501 Q N 0.122 119.858 119.800 -0.106 0.000 2.079 501 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 501 Q C 2.120 178.011 176.000 -0.182 0.000 0.974 501 Q CA 2.265 57.999 55.803 -0.116 0.000 0.840 501 Q CB -0.160 28.514 28.738 -0.107 0.000 0.898 501 Q HN 0.800 nan 8.270 nan 0.000 0.430 502 V N -1.128 118.595 119.914 -0.317 0.000 3.306 502 V HA 0.021 4.141 4.120 -0.000 0.000 0.264 502 V C 1.881 177.757 176.094 -0.363 0.000 1.149 502 V CA 1.198 63.133 62.300 -0.609 0.000 1.143 502 V CB -0.327 30.681 31.823 -1.357 0.000 0.767 502 V HN 0.413 nan 8.190 nan 0.000 0.476 503 S N -0.182 115.410 115.700 -0.179 0.000 2.607 503 S HA 0.185 4.655 4.470 -0.000 0.000 0.224 503 S C 0.735 175.327 174.600 -0.014 0.000 0.969 503 S CA 0.494 58.661 58.200 -0.055 0.000 0.927 503 S CB -0.439 62.737 63.200 -0.040 0.000 0.772 503 S HN 0.702 nan 8.310 nan 0.000 0.533 504 S N 0.000 115.685 115.700 -0.025 0.000 2.498 504 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 504 S CA 0.000 58.201 58.200 0.002 0.000 1.107 504 S CB 0.000 63.195 63.200 -0.009 0.000 0.593 504 S HN 0.000 nan 8.310 nan 0.000 0.517